USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 6 LYS NZ :NH3+ 156:sc= 1.4 (180deg=0.66) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0.688 USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 1.42 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.609 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0162 (180deg=-0.335) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.27 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= -0.0737 K(o=-0.074,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 140:sc= 1.1 (180deg=-0.0573!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.738 K(o=0.74,f=-0.93) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 1.24 (180deg=-0.213) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 0.05 K(o=0.05,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 55 THR OG1 : rot -87:sc= 0.72 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.194 USER MOD Single : A 60 ASN : amide:sc= -0.0628 X(o=-0.063,f=-0.23) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc=-0.000327 (180deg=-0.317) USER MOD Single : A 65 SER OG : rot 160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.666 2.153 -3.277 1.00 9.67 N ATOM 2 CA MET A 1 -13.671 2.460 -1.829 1.00 10.38 C ATOM 3 C MET A 1 -12.442 3.240 -1.508 1.00 9.62 C ATOM 4 O MET A 1 -11.432 3.260 -2.210 1.00 9.62 O ATOM 5 CB MET A 1 -13.773 1.143 -1.042 1.00 13.77 C ATOM 6 CG MET A 1 -12.446 0.387 -0.950 1.00 16.29 C ATOM 7 SD MET A 1 -12.670 -1.111 0.056 1.00 17.17 S ATOM 8 CE MET A 1 -10.956 -1.614 -0.268 1.00 16.11 C ATOM 0 H1 MET A 1 -14.147 1.246 -3.441 1.00 9.67 H new ATOM 0 H2 MET A 1 -14.162 2.907 -3.793 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.685 2.090 -3.615 1.00 9.67 H new ATOM 0 HA MET A 1 -14.529 3.069 -1.546 1.00 10.38 H new ATOM 0 HB2 MET A 1 -14.132 1.357 -0.035 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.516 0.502 -1.516 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.098 0.119 -1.948 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.682 1.025 -0.506 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.836 -2.671 -0.031 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.721 -1.449 -1.319 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.280 -1.024 0.352 1.00 16.11 H new ATOM 20 N GLN A 2 -12.442 3.973 -0.380 1.00 9.27 N ATOM 21 CA GLN A 2 -11.291 4.704 0.053 1.00 9.07 C ATOM 22 C GLN A 2 -10.558 3.923 1.089 1.00 8.72 C ATOM 23 O GLN A 2 -11.089 3.275 1.989 1.00 8.22 O ATOM 24 CB GLN A 2 -11.684 6.093 0.585 1.00 14.46 C ATOM 25 CG GLN A 2 -11.988 7.099 -0.527 1.00 17.01 C ATOM 26 CD GLN A 2 -13.428 6.979 -1.005 1.00 20.10 C ATOM 27 OE1 GLN A 2 -14.328 6.386 -0.413 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.671 7.716 -2.121 1.00 19.49 N ATOM 0 H GLN A 2 -13.249 4.060 0.238 1.00 9.27 H new ATOM 0 HA GLN A 2 -10.633 4.857 -0.802 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -12.559 5.995 1.227 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.875 6.480 1.205 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.806 8.111 -0.164 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.310 6.934 -1.364 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.904 8.197 -2.591 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -14.620 7.788 -2.488 1.00 19.49 H new ATOM 37 N ILE A 3 -9.224 4.019 0.949 1.00 5.87 N ATOM 38 CA ILE A 3 -8.300 3.576 1.947 1.00 5.07 C ATOM 39 C ILE A 3 -7.297 4.647 2.203 1.00 4.01 C ATOM 40 O ILE A 3 -7.211 5.635 1.475 1.00 4.61 O ATOM 41 CB ILE A 3 -7.621 2.251 1.763 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.600 2.089 0.625 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.697 1.153 1.777 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.142 2.440 0.919 1.00 10.83 C ATOM 0 H ILE A 3 -8.776 4.414 0.122 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.938 3.383 2.809 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.941 2.162 2.610 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.634 1.052 0.290 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -6.930 2.705 -0.211 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -8.225 0.179 1.645 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -9.225 1.173 2.730 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.405 1.327 0.966 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.541 2.276 0.025 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.073 3.486 1.217 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.771 1.808 1.726 1.00 10.83 H new ATOM 56 N PHE A 4 -6.492 4.589 3.279 1.00 4.55 N ATOM 57 CA PHE A 4 -5.476 5.555 3.560 1.00 4.68 C ATOM 58 C PHE A 4 -4.147 4.885 3.488 1.00 5.30 C ATOM 59 O PHE A 4 -4.008 3.699 3.783 1.00 5.58 O ATOM 60 CB PHE A 4 -5.701 6.105 4.979 1.00 4.83 C ATOM 61 CG PHE A 4 -7.028 6.783 4.997 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.145 8.095 4.601 1.00 6.69 C ATOM 63 CD2 PHE A 4 -8.158 6.208 5.527 1.00 8.34 C ATOM 64 CE1 PHE A 4 -8.355 8.746 4.594 1.00 9.10 C ATOM 65 CE2 PHE A 4 -9.342 6.895 5.658 1.00 10.61 C ATOM 66 CZ PHE A 4 -9.484 8.142 5.095 1.00 8.90 C ATOM 0 H PHE A 4 -6.550 3.846 3.976 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.513 6.372 2.839 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.674 5.298 5.711 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.910 6.805 5.248 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.260 8.629 4.287 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -8.115 5.179 5.852 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -8.420 9.745 4.190 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -10.163 6.454 6.204 1.00 10.61 H new ATOM 0 HZ PHE A 4 -10.447 8.629 5.048 1.00 8.90 H new ATOM 76 N VAL A 5 -3.135 5.639 3.021 1.00 4.44 N ATOM 77 CA VAL A 5 -1.729 5.400 3.125 1.00 3.87 C ATOM 78 C VAL A 5 -1.080 6.232 4.177 1.00 4.93 C ATOM 79 O VAL A 5 -1.223 7.454 4.151 1.00 6.84 O ATOM 80 CB VAL A 5 -0.998 5.741 1.860 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.368 5.036 1.883 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.902 5.218 0.730 1.00 9.13 C ATOM 0 H VAL A 5 -3.325 6.506 2.519 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.662 4.338 3.359 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.805 6.806 1.732 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.915 5.272 0.970 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.939 5.377 2.747 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.220 3.958 1.949 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.438 5.428 -0.234 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.037 4.142 0.841 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.872 5.713 0.782 1.00 9.13 H new ATOM 92 N LYS A 6 -0.483 5.598 5.203 1.00 6.04 N ATOM 93 CA LYS A 6 0.176 6.321 6.246 1.00 6.12 C ATOM 94 C LYS A 6 1.653 6.129 6.227 1.00 6.57 C ATOM 95 O LYS A 6 2.250 5.055 6.281 1.00 5.76 O ATOM 96 CB LYS A 6 -0.344 6.037 7.665 1.00 7.45 C ATOM 97 CG LYS A 6 0.155 7.080 8.668 1.00 11.12 C ATOM 98 CD LYS A 6 -0.599 8.411 8.631 1.00 14.54 C ATOM 99 CE LYS A 6 -0.722 8.975 10.047 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.350 10.314 10.004 1.00 20.55 N ATOM 0 H LYS A 6 -0.457 4.584 5.310 1.00 6.04 H new ATOM 0 HA LYS A 6 -0.068 7.358 6.017 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.434 6.030 7.659 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.020 5.045 7.980 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.081 6.663 9.673 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.211 7.271 8.479 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.073 9.120 7.992 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.590 8.267 8.200 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.319 8.304 10.664 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.263 9.041 10.508 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.796 10.518 10.921 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.624 11.032 9.805 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.072 10.335 9.256 1.00 20.55 H new ATOM 114 N THR A 7 2.399 7.193 5.879 1.00 7.41 N ATOM 115 CA THR A 7 3.802 7.083 5.624 1.00 7.48 C ATOM 116 C THR A 7 4.615 6.973 6.867 1.00 8.75 C ATOM 117 O THR A 7 4.067 7.088 7.963 1.00 8.58 O ATOM 118 CB THR A 7 4.385 8.210 4.824 1.00 9.61 C ATOM 119 OG1 THR A 7 4.281 9.473 5.464 1.00 11.78 O ATOM 120 CG2 THR A 7 3.545 8.317 3.540 1.00 9.17 C ATOM 0 H THR A 7 2.027 8.137 5.774 1.00 7.41 H new ATOM 0 HA THR A 7 3.859 6.164 5.040 1.00 7.48 H new ATOM 0 HB THR A 7 5.441 7.992 4.668 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.177 9.851 5.590 1.00 11.78 H new ATOM 0 HG21 THR A 7 3.930 9.126 2.920 1.00 9.17 H new ATOM 0 HG22 THR A 7 3.602 7.379 2.988 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.507 8.522 3.801 1.00 9.17 H new ATOM 128 N LEU A 8 5.921 6.685 6.727 1.00 9.84 N ATOM 129 CA LEU A 8 6.852 6.652 7.812 1.00 14.15 C ATOM 130 C LEU A 8 6.813 7.914 8.604 1.00 17.37 C ATOM 131 O LEU A 8 6.585 7.830 9.809 1.00 17.01 O ATOM 132 CB LEU A 8 8.339 6.541 7.435 1.00 16.63 C ATOM 133 CG LEU A 8 8.781 5.071 7.347 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.151 4.896 6.670 1.00 18.59 C ATOM 135 CD2 LEU A 8 8.944 4.341 8.691 1.00 19.31 C ATOM 0 H LEU A 8 6.344 6.467 5.825 1.00 9.84 H new ATOM 0 HA LEU A 8 6.527 5.757 8.342 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.512 7.034 6.478 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.945 7.062 8.176 1.00 16.63 H new ATOM 0 HG LEU A 8 7.957 4.644 6.776 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.408 3.837 6.638 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.108 5.290 5.655 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.909 5.436 7.237 1.00 18.59 H new ATOM 0 HD21 LEU A 8 9.258 3.313 8.511 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.697 4.850 9.293 1.00 19.31 H new ATOM 0 HD23 LEU A 8 7.993 4.342 9.223 1.00 19.31 H new ATOM 147 N THR A 9 6.983 9.073 7.942 1.00 18.33 N ATOM 148 CA THR A 9 6.754 10.398 8.430 1.00 19.24 C ATOM 149 C THR A 9 5.388 10.700 8.942 1.00 19.48 C ATOM 150 O THR A 9 5.270 11.349 9.981 1.00 23.14 O ATOM 151 CB THR A 9 7.086 11.443 7.407 1.00 18.97 C ATOM 152 OG1 THR A 9 6.649 11.031 6.121 1.00 20.24 O ATOM 153 CG2 THR A 9 8.607 11.671 7.357 1.00 19.70 C ATOM 0 H THR A 9 7.311 9.081 6.976 1.00 18.33 H new ATOM 0 HA THR A 9 7.428 10.432 9.286 1.00 19.24 H new ATOM 0 HB THR A 9 6.581 12.367 7.689 1.00 18.97 H new ATOM 0 HG1 THR A 9 6.870 11.723 5.463 1.00 20.24 H new ATOM 0 HG21 THR A 9 8.837 12.432 6.611 1.00 19.70 H new ATOM 0 HG22 THR A 9 8.957 12.004 8.334 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.106 10.739 7.091 1.00 19.70 H new ATOM 161 N GLY A 10 4.318 10.083 8.409 1.00 19.43 N ATOM 162 CA GLY A 10 3.020 10.136 9.005 1.00 18.74 C ATOM 163 C GLY A 10 2.032 10.929 8.219 1.00 17.62 C ATOM 164 O GLY A 10 1.042 11.361 8.807 1.00 19.74 O ATOM 0 H GLY A 10 4.356 9.537 7.548 1.00 19.43 H new ATOM 0 HA2 GLY A 10 2.644 9.120 9.126 1.00 18.74 H new ATOM 0 HA3 GLY A 10 3.105 10.565 10.003 1.00 18.74 H new ATOM 168 N LYS A 11 2.151 11.060 6.886 1.00 13.56 N ATOM 169 CA LYS A 11 1.240 11.719 6.001 1.00 11.91 C ATOM 170 C LYS A 11 0.146 10.735 5.768 1.00 10.18 C ATOM 171 O LYS A 11 0.334 9.601 5.329 1.00 9.10 O ATOM 172 CB LYS A 11 1.691 12.213 4.616 1.00 13.43 C ATOM 173 CG LYS A 11 0.782 13.158 3.829 1.00 16.69 C ATOM 174 CD LYS A 11 1.628 13.897 2.790 1.00 17.92 C ATOM 175 CE LYS A 11 1.790 13.035 1.537 1.00 20.81 C ATOM 176 NZ LYS A 11 2.639 13.709 0.530 1.00 21.93 N ATOM 0 H LYS A 11 2.952 10.672 6.387 1.00 13.56 H new ATOM 0 HA LYS A 11 1.012 12.654 6.513 1.00 11.91 H new ATOM 0 HB2 LYS A 11 2.652 12.712 4.742 1.00 13.43 H new ATOM 0 HB3 LYS A 11 1.867 11.334 3.995 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -0.014 12.597 3.339 1.00 16.69 H new ATOM 0 HG3 LYS A 11 0.303 13.869 4.502 1.00 16.69 H new ATOM 0 HD2 LYS A 11 1.155 14.844 2.531 1.00 17.92 H new ATOM 0 HD3 LYS A 11 2.607 14.133 3.208 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.233 12.076 1.807 1.00 20.81 H new ATOM 0 HE3 LYS A 11 0.810 12.824 1.108 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.268 13.011 0.083 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.036 14.146 -0.196 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 3.211 14.444 0.994 1.00 21.93 H new ATOM 190 N THR A 12 -1.108 11.201 5.900 1.00 9.63 N ATOM 191 CA THR A 12 -2.311 10.584 5.433 1.00 9.85 C ATOM 192 C THR A 12 -2.609 10.921 4.013 1.00 11.66 C ATOM 193 O THR A 12 -3.036 12.019 3.660 1.00 12.33 O ATOM 194 CB THR A 12 -3.454 10.877 6.359 1.00 10.85 C ATOM 195 OG1 THR A 12 -3.115 10.420 7.660 1.00 10.91 O ATOM 196 CG2 THR A 12 -4.718 10.139 5.887 1.00 9.63 C ATOM 0 H THR A 12 -1.295 12.085 6.374 1.00 9.63 H new ATOM 0 HA THR A 12 -2.158 9.505 5.445 1.00 9.85 H new ATOM 0 HB THR A 12 -3.646 11.950 6.368 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.854 10.608 8.276 1.00 10.91 H new ATOM 0 HG21 THR A 12 -5.542 10.358 6.566 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.978 10.470 4.882 1.00 9.63 H new ATOM 0 HG23 THR A 12 -4.531 9.065 5.879 1.00 9.63 H new ATOM 204 N ILE A 13 -2.455 9.903 3.147 1.00 10.42 N ATOM 205 CA ILE A 13 -2.856 9.996 1.777 1.00 11.84 C ATOM 206 C ILE A 13 -4.137 9.257 1.601 1.00 10.55 C ATOM 207 O ILE A 13 -4.208 8.047 1.811 1.00 11.92 O ATOM 208 CB ILE A 13 -1.888 9.477 0.755 1.00 14.86 C ATOM 209 CG1 ILE A 13 -0.646 10.384 0.780 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.468 9.310 -0.659 1.00 17.08 C ATOM 211 CD1 ILE A 13 0.741 9.749 0.879 1.00 16.46 C ATOM 0 H ILE A 13 -2.047 9.003 3.401 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.933 11.067 1.590 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.623 8.456 1.029 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -0.665 10.991 -0.125 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.755 11.066 1.623 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.695 8.930 -1.327 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.300 8.606 -0.630 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.821 10.275 -1.024 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.500 10.531 0.884 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.811 9.169 1.799 1.00 16.46 H new ATOM 0 HD13 ILE A 13 0.903 9.093 0.024 1.00 16.46 H new ATOM 223 N THR A 14 -5.180 9.939 1.094 1.00 9.39 N ATOM 224 CA THR A 14 -6.417 9.302 0.762 1.00 9.63 C ATOM 225 C THR A 14 -6.397 8.702 -0.602 1.00 11.20 C ATOM 226 O THR A 14 -6.109 9.444 -1.539 1.00 11.63 O ATOM 227 CB THR A 14 -7.660 10.138 0.845 1.00 10.38 C ATOM 228 OG1 THR A 14 -7.678 11.003 1.970 1.00 16.30 O ATOM 229 CG2 THR A 14 -9.015 9.413 0.895 1.00 11.66 C ATOM 0 H THR A 14 -5.165 10.943 0.912 1.00 9.39 H new ATOM 0 HA THR A 14 -6.479 8.550 1.549 1.00 9.63 H new ATOM 0 HB THR A 14 -7.579 10.658 -0.110 1.00 10.38 H new ATOM 0 HG1 THR A 14 -8.509 11.522 1.970 1.00 16.30 H new ATOM 0 HG21 THR A 14 -9.819 10.147 0.953 1.00 11.66 H new ATOM 0 HG22 THR A 14 -9.139 8.811 -0.005 1.00 11.66 H new ATOM 0 HG23 THR A 14 -9.050 8.767 1.772 1.00 11.66 H new ATOM 237 N LEU A 15 -6.633 7.384 -0.731 1.00 8.29 N ATOM 238 CA LEU A 15 -6.508 6.641 -1.946 1.00 9.03 C ATOM 239 C LEU A 15 -7.732 5.829 -2.195 1.00 8.59 C ATOM 240 O LEU A 15 -8.172 5.113 -1.296 1.00 7.79 O ATOM 241 CB LEU A 15 -5.304 5.716 -1.698 1.00 11.08 C ATOM 242 CG LEU A 15 -4.981 4.691 -2.799 1.00 15.79 C ATOM 243 CD1 LEU A 15 -4.975 5.440 -4.142 1.00 15.27 C ATOM 244 CD2 LEU A 15 -3.712 3.869 -2.519 1.00 15.88 C ATOM 0 H LEU A 15 -6.927 6.806 0.056 1.00 8.29 H new ATOM 0 HA LEU A 15 -6.378 7.286 -2.815 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.423 6.339 -1.544 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.478 5.174 -0.769 1.00 11.08 H new ATOM 0 HG LEU A 15 -5.752 3.921 -2.829 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -4.749 4.741 -4.947 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -5.954 5.887 -4.314 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -4.218 6.224 -4.118 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -3.546 3.167 -3.336 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.856 4.538 -2.436 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.834 3.318 -1.586 1.00 15.88 H new ATOM 256 N GLU A 16 -8.374 6.083 -3.349 1.00 11.04 N ATOM 257 CA GLU A 16 -9.482 5.334 -3.854 1.00 11.50 C ATOM 258 C GLU A 16 -8.965 4.191 -4.657 1.00 10.13 C ATOM 259 O GLU A 16 -8.042 4.285 -5.465 1.00 9.83 O ATOM 260 CB GLU A 16 -10.556 6.171 -4.570 1.00 17.22 C ATOM 261 CG GLU A 16 -11.662 5.303 -5.175 1.00 23.33 C ATOM 262 CD GLU A 16 -12.707 6.228 -5.781 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.449 7.443 -5.995 1.00 28.90 O ATOM 264 OE2 GLU A 16 -13.799 5.663 -6.058 1.00 28.86 O ATOM 0 H GLU A 16 -8.105 6.852 -3.962 1.00 11.04 H new ATOM 0 HA GLU A 16 -10.037 4.941 -3.002 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -10.995 6.875 -3.863 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.088 6.761 -5.358 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.252 4.640 -5.937 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -12.111 4.670 -4.410 1.00 23.33 H new ATOM 271 N VAL A 17 -9.381 2.983 -4.237 1.00 8.99 N ATOM 272 CA VAL A 17 -9.082 1.684 -4.753 1.00 8.85 C ATOM 273 C VAL A 17 -10.357 0.935 -4.935 1.00 8.04 C ATOM 274 O VAL A 17 -11.333 1.089 -4.202 1.00 8.99 O ATOM 275 CB VAL A 17 -8.256 0.838 -3.829 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.789 1.270 -3.986 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.757 0.810 -2.375 1.00 10.54 C ATOM 0 H VAL A 17 -10.006 2.914 -3.434 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.527 1.854 -5.675 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.355 -0.209 -4.117 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.161 0.672 -3.326 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.474 1.121 -5.019 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.690 2.324 -3.725 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.103 0.176 -1.777 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.752 1.822 -1.969 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.772 0.413 -2.347 1.00 10.54 H new ATOM 287 N GLU A 18 -10.382 0.029 -5.928 1.00 7.29 N ATOM 288 CA GLU A 18 -11.362 -0.990 -6.146 1.00 7.08 C ATOM 289 C GLU A 18 -10.925 -2.167 -5.344 1.00 6.45 C ATOM 290 O GLU A 18 -9.728 -2.413 -5.199 1.00 5.28 O ATOM 291 CB GLU A 18 -11.474 -1.209 -7.664 1.00 10.28 C ATOM 292 CG GLU A 18 -12.148 -0.010 -8.334 1.00 12.65 C ATOM 293 CD GLU A 18 -12.269 -0.164 -9.843 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.093 -0.965 -10.360 1.00 14.33 O ATOM 295 OE2 GLU A 18 -11.465 0.484 -10.566 1.00 18.17 O ATOM 0 H GLU A 18 -9.652 0.009 -6.640 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.371 -0.745 -5.816 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.482 -1.359 -8.089 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.047 -2.114 -7.865 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.142 0.127 -7.907 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.578 0.892 -8.111 1.00 12.65 H new ATOM 302 N PRO A 19 -11.870 -2.930 -4.881 1.00 7.24 N ATOM 303 CA PRO A 19 -11.450 -3.981 -4.001 1.00 7.07 C ATOM 304 C PRO A 19 -10.771 -5.077 -4.747 1.00 6.65 C ATOM 305 O PRO A 19 -10.062 -5.926 -4.208 1.00 6.37 O ATOM 306 CB PRO A 19 -12.705 -4.512 -3.312 1.00 7.61 C ATOM 307 CG PRO A 19 -13.554 -3.234 -3.218 1.00 8.16 C ATOM 308 CD PRO A 19 -13.201 -2.476 -4.508 1.00 7.49 C ATOM 0 HA PRO A 19 -10.731 -3.598 -3.277 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.196 -5.291 -3.895 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.489 -4.936 -2.331 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.619 -3.462 -3.164 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.307 -2.652 -2.330 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.922 -2.689 -5.297 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.216 -1.398 -4.345 1.00 7.49 H new ATOM 316 N SER A 20 -10.876 -5.159 -6.085 1.00 6.80 N ATOM 317 CA SER A 20 -10.143 -6.084 -6.891 1.00 6.28 C ATOM 318 C SER A 20 -8.793 -5.676 -7.373 1.00 8.45 C ATOM 319 O SER A 20 -8.155 -6.410 -8.126 1.00 7.26 O ATOM 320 CB SER A 20 -10.892 -6.538 -8.156 1.00 8.57 C ATOM 321 OG SER A 20 -12.300 -6.683 -8.041 1.00 11.13 O ATOM 0 H SER A 20 -11.496 -4.557 -6.627 1.00 6.80 H new ATOM 0 HA SER A 20 -10.024 -6.878 -6.153 1.00 6.28 H new ATOM 0 HB2 SER A 20 -10.687 -5.820 -8.950 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.476 -7.494 -8.475 1.00 8.57 H new ATOM 0 HG SER A 20 -12.670 -6.972 -8.901 1.00 11.13 H new ATOM 327 N ASP A 21 -8.281 -4.497 -6.979 1.00 7.50 N ATOM 328 CA ASP A 21 -6.898 -4.219 -7.215 1.00 7.70 C ATOM 329 C ASP A 21 -5.991 -4.907 -6.253 1.00 7.08 C ATOM 330 O ASP A 21 -6.418 -5.262 -5.155 1.00 8.11 O ATOM 331 CB ASP A 21 -6.640 -2.703 -7.237 1.00 11.00 C ATOM 332 CG ASP A 21 -7.114 -2.218 -8.599 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.306 -1.844 -8.766 1.00 14.36 O ATOM 334 OD2 ASP A 21 -6.194 -2.243 -9.459 1.00 18.03 O ATOM 0 H ASP A 21 -8.804 -3.757 -6.511 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.663 -4.626 -8.198 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.182 -2.203 -6.434 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.582 -2.485 -7.091 1.00 11.00 H new ATOM 339 N THR A 22 -4.774 -5.198 -6.747 1.00 5.37 N ATOM 340 CA THR A 22 -3.821 -5.988 -6.032 1.00 6.01 C ATOM 341 C THR A 22 -2.879 -5.091 -5.305 1.00 8.01 C ATOM 342 O THR A 22 -3.013 -3.875 -5.438 1.00 8.11 O ATOM 343 CB THR A 22 -2.949 -6.853 -6.893 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.351 -6.133 -7.962 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.735 -7.994 -7.560 1.00 9.65 C ATOM 0 H THR A 22 -4.446 -4.879 -7.659 1.00 5.37 H new ATOM 0 HA THR A 22 -4.424 -6.625 -5.385 1.00 6.01 H new ATOM 0 HB THR A 22 -2.195 -7.236 -6.206 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.792 -6.739 -8.492 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.060 -8.592 -8.172 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.183 -8.625 -6.792 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.521 -7.575 -8.189 1.00 9.65 H new ATOM 353 N ILE A 23 -1.909 -5.585 -4.515 1.00 8.32 N ATOM 354 CA ILE A 23 -1.023 -4.762 -3.751 1.00 9.92 C ATOM 355 C ILE A 23 0.115 -4.222 -4.547 1.00 10.01 C ATOM 356 O ILE A 23 0.612 -3.129 -4.277 1.00 8.71 O ATOM 357 CB ILE A 23 -0.629 -5.654 -2.610 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.841 -6.226 -1.857 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.235 -4.895 -1.589 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.866 -5.228 -1.317 1.00 12.30 C ATOM 0 H ILE A 23 -1.736 -6.584 -4.404 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.487 -3.841 -3.399 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.069 -6.473 -3.061 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.359 -6.914 -2.525 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.470 -6.815 -1.019 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.506 -5.565 -0.773 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.140 -4.532 -2.077 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.328 -4.050 -1.193 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.666 -5.767 -0.809 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.380 -4.552 -0.613 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.284 -4.652 -2.143 1.00 12.30 H new ATOM 372 N GLU A 24 0.544 -4.829 -5.667 1.00 9.54 N ATOM 373 CA GLU A 24 1.286 -4.374 -6.803 1.00 11.81 C ATOM 374 C GLU A 24 0.662 -3.159 -7.397 1.00 11.14 C ATOM 375 O GLU A 24 1.317 -2.146 -7.638 1.00 10.62 O ATOM 376 CB GLU A 24 1.487 -5.414 -7.918 1.00 19.24 C ATOM 377 CG GLU A 24 2.596 -5.122 -8.929 1.00 27.76 C ATOM 378 CD GLU A 24 2.667 -6.330 -9.852 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.838 -7.277 -9.802 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.601 -6.338 -10.698 1.00 34.80 O ATOM 0 H GLU A 24 0.326 -5.818 -5.789 1.00 9.54 H new ATOM 0 HA GLU A 24 2.274 -4.155 -6.399 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.694 -6.378 -7.453 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.548 -5.518 -8.462 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.378 -4.215 -9.493 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.549 -4.962 -8.424 1.00 27.76 H new ATOM 387 N ASN A 25 -0.662 -3.162 -7.637 1.00 9.43 N ATOM 388 CA ASN A 25 -1.363 -2.049 -8.197 1.00 10.96 C ATOM 389 C ASN A 25 -1.551 -0.864 -7.313 1.00 9.68 C ATOM 390 O ASN A 25 -1.529 0.266 -7.798 1.00 9.33 O ATOM 391 CB ASN A 25 -2.767 -2.436 -8.692 1.00 16.78 C ATOM 392 CG ASN A 25 -2.766 -3.369 -9.895 1.00 22.31 C ATOM 393 OD1 ASN A 25 -1.718 -3.824 -10.350 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.942 -3.833 -10.397 1.00 24.70 N ATOM 0 H ASN A 25 -1.262 -3.962 -7.435 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.693 -1.762 -9.007 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.310 -2.913 -7.876 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.313 -1.528 -8.950 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.939 -4.540 -11.132 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.827 -3.474 -10.039 1.00 24.70 H new ATOM 401 N VAL A 26 -1.593 -1.057 -5.983 1.00 6.52 N ATOM 402 CA VAL A 26 -1.684 -0.071 -4.951 1.00 5.53 C ATOM 403 C VAL A 26 -0.410 0.678 -4.762 1.00 4.42 C ATOM 404 O VAL A 26 -0.358 1.903 -4.666 1.00 3.40 O ATOM 405 CB VAL A 26 -2.099 -0.723 -3.666 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.993 0.219 -2.455 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.566 -1.181 -3.721 1.00 8.12 C ATOM 0 H VAL A 26 -1.560 -1.999 -5.594 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.435 0.656 -5.258 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.416 -1.564 -3.548 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.307 -0.309 -1.555 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.961 0.550 -2.341 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.636 1.085 -2.610 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.837 -1.650 -2.775 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.210 -0.319 -3.896 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.693 -1.899 -4.531 1.00 8.12 H new ATOM 417 N LYS A 27 0.707 -0.068 -4.820 1.00 2.64 N ATOM 418 CA LYS A 27 2.014 0.494 -4.972 1.00 4.14 C ATOM 419 C LYS A 27 2.136 1.284 -6.229 1.00 5.58 C ATOM 420 O LYS A 27 2.923 2.229 -6.226 1.00 4.11 O ATOM 421 CB LYS A 27 2.988 -0.686 -5.131 1.00 3.97 C ATOM 422 CG LYS A 27 3.284 -1.182 -3.715 1.00 7.45 C ATOM 423 CD LYS A 27 4.533 -2.065 -3.673 1.00 9.02 C ATOM 424 CE LYS A 27 4.298 -3.384 -4.412 1.00 12.90 C ATOM 425 NZ LYS A 27 5.546 -4.181 -4.416 1.00 15.47 N ATOM 0 H LYS A 27 0.703 -1.086 -4.760 1.00 2.64 H new ATOM 0 HA LYS A 27 2.216 1.136 -4.115 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.547 -1.477 -5.737 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.903 -0.372 -5.634 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.420 -0.328 -3.051 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.429 -1.744 -3.340 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.372 -1.536 -4.125 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.804 -2.268 -2.637 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.498 -3.945 -3.929 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.977 -3.187 -5.435 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.317 -5.186 -4.277 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 6.032 -4.060 -5.327 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.167 -3.858 -3.647 1.00 15.47 H new ATOM 439 N ALA A 28 1.399 0.899 -7.286 1.00 6.61 N ATOM 440 CA ALA A 28 1.429 1.516 -8.576 1.00 7.74 C ATOM 441 C ALA A 28 0.766 2.849 -8.510 1.00 9.17 C ATOM 442 O ALA A 28 1.281 3.826 -9.051 1.00 11.45 O ATOM 443 CB ALA A 28 0.738 0.654 -9.646 1.00 7.68 C ATOM 0 H ALA A 28 0.748 0.116 -7.238 1.00 6.61 H new ATOM 0 HA ALA A 28 2.475 1.627 -8.862 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.785 1.162 -10.609 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.243 -0.309 -9.719 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.305 0.497 -9.369 1.00 7.68 H new ATOM 449 N LYS A 29 -0.363 2.873 -7.780 1.00 8.96 N ATOM 450 CA LYS A 29 -1.187 3.979 -7.405 1.00 7.90 C ATOM 451 C LYS A 29 -0.484 4.961 -6.531 1.00 6.92 C ATOM 452 O LYS A 29 -0.653 6.179 -6.532 1.00 6.87 O ATOM 453 CB LYS A 29 -2.593 3.581 -6.923 1.00 10.28 C ATOM 454 CG LYS A 29 -3.412 2.942 -8.046 1.00 14.94 C ATOM 455 CD LYS A 29 -4.017 3.898 -9.076 1.00 19.69 C ATOM 456 CE LYS A 29 -4.549 3.321 -10.389 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.909 2.737 -10.372 1.00 24.98 N ATOM 0 H LYS A 29 -0.742 2.003 -7.407 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.382 4.522 -8.330 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.509 2.883 -6.090 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -3.113 4.463 -6.548 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.774 2.232 -8.572 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -4.222 2.369 -7.595 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.836 4.430 -8.592 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.258 4.640 -9.324 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.531 4.113 -11.137 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.855 2.550 -10.725 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.147 2.383 -11.321 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.941 1.951 -9.692 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.596 3.466 -10.092 1.00 24.98 H new ATOM 471 N ILE A 30 0.515 4.550 -5.730 1.00 4.57 N ATOM 472 CA ILE A 30 1.307 5.350 -4.848 1.00 5.58 C ATOM 473 C ILE A 30 2.497 5.943 -5.521 1.00 7.26 C ATOM 474 O ILE A 30 2.740 7.148 -5.494 1.00 9.46 O ATOM 475 CB ILE A 30 1.662 4.686 -3.551 1.00 5.36 C ATOM 476 CG1 ILE A 30 0.355 4.552 -2.752 1.00 2.94 C ATOM 477 CG2 ILE A 30 2.630 5.550 -2.724 1.00 2.78 C ATOM 478 CD1 ILE A 30 0.632 3.597 -1.592 1.00 2.00 C ATOM 0 H ILE A 30 0.792 3.569 -5.698 1.00 4.57 H new ATOM 0 HA ILE A 30 0.650 6.174 -4.570 1.00 5.58 H new ATOM 0 HB ILE A 30 2.140 3.727 -3.752 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.029 5.524 -2.381 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -0.445 4.168 -3.384 1.00 2.94 H new ATOM 0 HG21 ILE A 30 2.867 5.039 -1.791 1.00 2.78 H new ATOM 0 HG22 ILE A 30 3.547 5.713 -3.291 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.163 6.510 -2.504 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.273 3.474 -0.998 1.00 2.00 H new ATOM 0 HD12 ILE A 30 0.943 2.629 -1.984 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.425 4.006 -0.965 1.00 2.00 H new ATOM 490 N GLN A 31 3.186 5.161 -6.371 1.00 7.06 N ATOM 491 CA GLN A 31 4.057 5.637 -7.400 1.00 8.67 C ATOM 492 C GLN A 31 3.502 6.747 -8.225 1.00 10.90 C ATOM 493 O GLN A 31 4.161 7.774 -8.379 1.00 9.63 O ATOM 494 CB GLN A 31 4.565 4.455 -8.242 1.00 9.12 C ATOM 495 CG GLN A 31 5.631 4.912 -9.240 1.00 10.76 C ATOM 496 CD GLN A 31 6.020 3.908 -10.316 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.249 2.976 -10.539 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.217 4.031 -10.948 1.00 14.76 N ATOM 0 H GLN A 31 3.132 4.143 -6.338 1.00 7.06 H new ATOM 0 HA GLN A 31 4.907 6.103 -6.902 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.979 3.689 -7.587 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.732 4.000 -8.777 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.275 5.818 -9.730 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.528 5.182 -8.683 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.828 4.819 -10.734 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.504 3.335 -11.636 1.00 14.76 H new ATOM 507 N ASP A 32 2.252 6.658 -8.714 1.00 10.93 N ATOM 508 CA ASP A 32 1.712 7.696 -9.535 1.00 14.01 C ATOM 509 C ASP A 32 1.365 8.967 -8.838 1.00 14.04 C ATOM 510 O ASP A 32 1.422 10.064 -9.391 1.00 13.39 O ATOM 511 CB ASP A 32 0.586 6.979 -10.298 1.00 18.01 C ATOM 512 CG ASP A 32 -0.178 7.730 -11.380 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.291 7.716 -12.550 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.242 8.328 -11.068 1.00 26.29 O ATOM 0 H ASP A 32 1.621 5.875 -8.543 1.00 10.93 H new ATOM 0 HA ASP A 32 2.447 8.121 -10.218 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.017 6.090 -10.759 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.141 6.636 -9.562 1.00 18.01 H new ATOM 519 N LYS A 33 1.083 8.857 -7.528 1.00 14.22 N ATOM 520 CA LYS A 33 0.755 9.983 -6.709 1.00 14.00 C ATOM 521 C LYS A 33 1.891 10.709 -6.074 1.00 12.37 C ATOM 522 O LYS A 33 1.895 11.938 -6.027 1.00 12.17 O ATOM 523 CB LYS A 33 -0.141 9.481 -5.564 1.00 18.62 C ATOM 524 CG LYS A 33 -0.804 10.646 -4.826 1.00 24.00 C ATOM 525 CD LYS A 33 -1.654 11.578 -5.692 1.00 27.61 C ATOM 526 CE LYS A 33 -2.504 12.544 -4.866 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.899 13.893 -4.933 1.00 30.06 N ATOM 0 H LYS A 33 1.083 7.968 -7.027 1.00 14.22 H new ATOM 0 HA LYS A 33 0.289 10.696 -7.390 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.908 8.817 -5.963 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.454 8.895 -4.863 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.434 10.240 -4.034 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.026 11.237 -4.343 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.001 12.149 -6.352 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.307 10.980 -6.328 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -3.525 12.569 -5.248 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.559 12.207 -3.831 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.471 14.558 -4.374 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.933 13.860 -4.550 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.868 14.211 -5.923 1.00 30.06 H new ATOM 541 N GLU A 34 2.753 9.959 -5.364 1.00 10.11 N ATOM 542 CA GLU A 34 3.768 10.472 -4.497 1.00 10.07 C ATOM 543 C GLU A 34 5.104 10.499 -5.156 1.00 9.32 C ATOM 544 O GLU A 34 5.983 11.246 -4.730 1.00 11.61 O ATOM 545 CB GLU A 34 3.773 9.592 -3.236 1.00 14.77 C ATOM 546 CG GLU A 34 2.625 9.883 -2.268 1.00 18.75 C ATOM 547 CD GLU A 34 2.751 11.292 -1.707 1.00 22.28 C ATOM 548 OE1 GLU A 34 3.747 11.654 -1.025 1.00 25.19 O ATOM 549 OE2 GLU A 34 1.738 12.029 -1.846 1.00 21.95 O ATOM 0 H GLU A 34 2.741 8.940 -5.397 1.00 10.11 H new ATOM 0 HA GLU A 34 3.552 11.508 -4.238 1.00 10.07 H new ATOM 0 HB2 GLU A 34 3.725 8.545 -3.536 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.719 9.730 -2.713 1.00 14.77 H new ATOM 0 HG2 GLU A 34 1.670 9.773 -2.782 1.00 18.75 H new ATOM 0 HG3 GLU A 34 2.634 9.158 -1.454 1.00 18.75 H new ATOM 556 N GLY A 35 5.312 9.627 -6.158 1.00 7.22 N ATOM 557 CA GLY A 35 6.430 9.675 -7.049 1.00 6.29 C ATOM 558 C GLY A 35 7.545 8.743 -6.721 1.00 6.93 C ATOM 559 O GLY A 35 8.675 9.023 -7.120 1.00 7.41 O ATOM 0 H GLY A 35 4.674 8.856 -6.356 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.080 9.456 -8.058 1.00 6.29 H new ATOM 0 HA3 GLY A 35 6.820 10.693 -7.061 1.00 6.29 H new ATOM 563 N ILE A 36 7.207 7.754 -5.876 1.00 5.86 N ATOM 564 CA ILE A 36 8.019 6.811 -5.171 1.00 6.07 C ATOM 565 C ILE A 36 8.091 5.561 -5.979 1.00 6.36 C ATOM 566 O ILE A 36 7.018 5.052 -6.299 1.00 6.18 O ATOM 567 CB ILE A 36 7.419 6.364 -3.871 1.00 7.47 C ATOM 568 CG1 ILE A 36 6.901 7.568 -3.067 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.413 5.449 -3.135 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.139 7.131 -1.817 1.00 9.49 C ATOM 0 H ILE A 36 6.222 7.598 -5.660 1.00 5.86 H new ATOM 0 HA ILE A 36 8.974 7.307 -4.996 1.00 6.07 H new ATOM 0 HB ILE A 36 6.531 5.755 -4.040 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.741 8.200 -2.778 1.00 8.52 H new ATOM 0 HG13 ILE A 36 6.249 8.172 -3.697 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.977 5.124 -2.190 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.632 4.578 -3.753 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.335 5.996 -2.940 1.00 7.36 H new ATOM 0 HD11 ILE A 36 5.790 8.011 -1.277 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.284 6.520 -2.107 1.00 9.49 H new ATOM 0 HD13 ILE A 36 6.799 6.549 -1.174 1.00 9.49 H new ATOM 582 N PRO A 37 9.206 4.991 -6.328 1.00 8.65 N ATOM 583 CA PRO A 37 9.291 3.795 -7.113 1.00 9.18 C ATOM 584 C PRO A 37 8.757 2.591 -6.415 1.00 9.85 C ATOM 585 O PRO A 37 9.013 2.518 -5.214 1.00 8.51 O ATOM 586 CB PRO A 37 10.794 3.549 -7.215 1.00 11.42 C ATOM 587 CG PRO A 37 11.385 4.965 -7.304 1.00 9.27 C ATOM 588 CD PRO A 37 10.511 5.626 -6.227 1.00 8.33 C ATOM 0 HA PRO A 37 8.736 3.926 -8.042 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.172 3.010 -6.346 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.044 2.954 -8.093 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.449 4.998 -7.069 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.262 5.417 -8.288 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.939 5.483 -5.235 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.436 6.701 -6.390 1.00 8.33 H new ATOM 596 N PRO A 38 8.043 1.663 -6.979 1.00 8.71 N ATOM 597 CA PRO A 38 7.290 0.643 -6.309 1.00 9.08 C ATOM 598 C PRO A 38 8.123 -0.454 -5.740 1.00 9.28 C ATOM 599 O PRO A 38 7.518 -1.327 -5.119 1.00 6.50 O ATOM 600 CB PRO A 38 6.449 -0.036 -7.388 1.00 10.31 C ATOM 601 CG PRO A 38 7.303 0.124 -8.656 1.00 10.81 C ATOM 602 CD PRO A 38 8.043 1.450 -8.418 1.00 12.00 C ATOM 0 HA PRO A 38 6.744 1.124 -5.498 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.267 -1.085 -7.155 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.474 0.440 -7.497 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.997 -0.707 -8.781 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.687 0.163 -9.554 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.061 1.402 -8.804 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.545 2.271 -8.933 1.00 12.00 H new ATOM 610 N ASP A 39 9.458 -0.506 -5.893 1.00 11.20 N ATOM 611 CA ASP A 39 10.317 -1.466 -5.272 1.00 14.96 C ATOM 612 C ASP A 39 10.694 -1.040 -3.896 1.00 13.99 C ATOM 613 O ASP A 39 10.906 -1.880 -3.022 1.00 13.75 O ATOM 614 CB ASP A 39 11.407 -1.787 -6.309 1.00 24.16 C ATOM 615 CG ASP A 39 12.196 -0.565 -6.756 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.596 0.302 -7.444 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.392 -0.475 -6.369 1.00 34.22 O ATOM 0 H ASP A 39 9.964 0.156 -6.481 1.00 11.20 H new ATOM 0 HA ASP A 39 9.855 -2.425 -5.036 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.095 -2.520 -5.887 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.944 -2.250 -7.180 1.00 24.16 H new ATOM 622 N GLN A 40 10.781 0.295 -3.749 1.00 11.60 N ATOM 623 CA GLN A 40 11.138 0.973 -2.542 1.00 10.76 C ATOM 624 C GLN A 40 10.045 1.036 -1.531 1.00 8.01 C ATOM 625 O GLN A 40 10.238 1.408 -0.375 1.00 8.96 O ATOM 626 CB GLN A 40 11.639 2.361 -2.977 1.00 11.14 C ATOM 627 CG GLN A 40 12.863 2.408 -3.893 1.00 14.85 C ATOM 628 CD GLN A 40 13.470 3.785 -4.122 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.072 4.790 -3.535 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.511 3.823 -4.996 1.00 18.16 N ATOM 0 H GLN A 40 10.591 0.937 -4.518 1.00 11.60 H new ATOM 0 HA GLN A 40 11.913 0.419 -2.013 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.820 2.873 -3.482 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.867 2.934 -2.079 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.632 1.759 -3.474 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.585 1.989 -4.860 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.814 2.970 -5.465 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.988 4.705 -5.182 1.00 18.16 H new ATOM 639 N GLN A 41 8.859 0.693 -2.065 1.00 6.52 N ATOM 640 CA GLN A 41 7.698 0.652 -1.232 1.00 3.87 C ATOM 641 C GLN A 41 7.455 -0.659 -0.568 1.00 4.79 C ATOM 642 O GLN A 41 7.290 -1.702 -1.199 1.00 6.34 O ATOM 643 CB GLN A 41 6.434 0.943 -2.058 1.00 4.20 C ATOM 644 CG GLN A 41 6.492 2.378 -2.586 1.00 3.20 C ATOM 645 CD GLN A 41 5.234 2.702 -3.379 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.154 2.386 -2.881 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.276 3.324 -4.587 1.00 7.13 N ATOM 0 H GLN A 41 8.705 0.451 -3.044 1.00 6.52 H new ATOM 0 HA GLN A 41 7.894 1.403 -0.467 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.359 0.241 -2.888 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.545 0.806 -1.443 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.595 3.075 -1.754 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.371 2.505 -3.218 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.174 3.584 -4.996 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.410 3.531 -5.085 1.00 7.13 H new ATOM 656 N ARG A 42 7.402 -0.665 0.776 1.00 5.73 N ATOM 657 CA ARG A 42 6.910 -1.732 1.592 1.00 6.97 C ATOM 658 C ARG A 42 5.646 -1.403 2.308 1.00 7.15 C ATOM 659 O ARG A 42 5.738 -0.536 3.175 1.00 7.33 O ATOM 660 CB ARG A 42 8.021 -2.151 2.570 1.00 13.23 C ATOM 661 CG ARG A 42 7.786 -3.611 2.965 1.00 21.27 C ATOM 662 CD ARG A 42 8.800 -3.996 4.044 1.00 26.14 C ATOM 663 NE ARG A 42 8.768 -5.474 4.234 1.00 32.26 N ATOM 664 CZ ARG A 42 9.725 -6.109 4.971 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.620 -5.515 5.814 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.852 -7.462 4.844 1.00 36.39 N ATOM 0 H ARG A 42 7.725 0.129 1.329 1.00 5.73 H new ATOM 0 HA ARG A 42 6.649 -2.564 0.938 1.00 6.97 H new ATOM 0 HB2 ARG A 42 9.000 -2.036 2.105 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.011 -1.512 3.453 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.770 -3.743 3.337 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.894 -4.260 2.096 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.800 -3.675 3.752 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.564 -3.491 4.980 1.00 26.14 H new ATOM 0 HE ARG A 42 8.019 -6.019 3.807 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.610 -4.502 5.937 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.298 -6.084 6.321 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.239 -7.974 4.209 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.559 -7.961 5.384 1.00 36.39 H new ATOM 680 N LEU A 43 4.543 -2.126 2.045 1.00 4.65 N ATOM 681 CA LEU A 43 3.281 -1.772 2.617 1.00 3.51 C ATOM 682 C LEU A 43 2.923 -2.807 3.628 1.00 5.56 C ATOM 683 O LEU A 43 2.914 -4.002 3.339 1.00 4.19 O ATOM 684 CB LEU A 43 2.233 -1.869 1.496 1.00 3.74 C ATOM 685 CG LEU A 43 2.208 -0.653 0.556 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.078 -0.710 -0.485 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.970 0.619 1.387 1.00 9.55 C ATOM 0 H LEU A 43 4.524 -2.948 1.442 1.00 4.65 H new ATOM 0 HA LEU A 43 3.320 -0.778 3.063 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.427 -2.766 0.908 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.247 -1.989 1.944 1.00 3.74 H new ATOM 0 HG LEU A 43 3.166 -0.652 0.035 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.119 0.178 -1.115 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.198 -1.599 -1.104 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.115 -0.749 0.025 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.951 1.486 0.727 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.017 0.539 1.909 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.774 0.734 2.114 1.00 9.55 H new ATOM 699 N ILE A 44 2.685 -2.370 4.878 1.00 4.58 N ATOM 700 CA ILE A 44 2.428 -3.171 6.034 1.00 5.55 C ATOM 701 C ILE A 44 1.024 -2.889 6.448 1.00 5.46 C ATOM 702 O ILE A 44 0.610 -1.732 6.496 1.00 6.04 O ATOM 703 CB ILE A 44 3.386 -2.734 7.103 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.855 -2.832 6.656 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.177 -3.457 8.444 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.326 -4.221 6.227 1.00 13.90 C ATOM 0 H ILE A 44 2.672 -1.374 5.096 1.00 4.58 H new ATOM 0 HA ILE A 44 2.555 -4.237 5.848 1.00 5.55 H new ATOM 0 HB ILE A 44 3.156 -1.682 7.270 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.009 -2.144 5.825 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.488 -2.491 7.475 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.903 -3.093 9.171 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.169 -3.262 8.809 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.311 -4.530 8.304 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.374 -4.175 5.932 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.213 -4.916 7.059 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.727 -4.564 5.383 1.00 13.90 H new ATOM 718 N PHE A 45 0.239 -3.971 6.597 1.00 6.75 N ATOM 719 CA PHE A 45 -1.055 -3.910 7.203 1.00 4.70 C ATOM 720 C PHE A 45 -0.908 -4.469 8.577 1.00 6.34 C ATOM 721 O PHE A 45 -0.622 -5.656 8.724 1.00 5.45 O ATOM 722 CB PHE A 45 -1.960 -4.806 6.341 1.00 5.51 C ATOM 723 CG PHE A 45 -3.360 -5.017 6.805 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.059 -3.945 7.307 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.928 -6.212 6.432 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.427 -4.063 7.380 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.285 -6.316 6.628 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.037 -5.258 7.084 1.00 6.84 C ATOM 0 H PHE A 45 0.508 -4.906 6.291 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.472 -2.905 7.266 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.998 -4.380 5.338 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.483 -5.782 6.255 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.554 -3.047 7.631 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.345 -7.018 6.012 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.025 -3.212 7.671 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.775 -7.255 6.418 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.104 -5.367 7.209 1.00 6.84 H new ATOM 738 N ALA A 46 -1.097 -3.626 9.608 1.00 6.53 N ATOM 739 CA ALA A 46 -1.050 -3.923 11.006 1.00 7.15 C ATOM 740 C ALA A 46 0.326 -4.334 11.402 1.00 9.00 C ATOM 741 O ALA A 46 1.237 -3.530 11.594 1.00 11.15 O ATOM 742 CB ALA A 46 -2.060 -4.963 11.519 1.00 8.99 C ATOM 0 H ALA A 46 -1.303 -2.641 9.444 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.344 -2.987 11.481 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.926 -5.102 12.592 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.074 -4.614 11.322 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.897 -5.911 11.007 1.00 8.99 H new ATOM 748 N GLY A 47 0.542 -5.660 11.461 1.00 9.35 N ATOM 749 CA GLY A 47 1.808 -6.283 11.695 1.00 11.68 C ATOM 750 C GLY A 47 2.351 -7.091 10.567 1.00 11.14 C ATOM 751 O GLY A 47 3.519 -7.478 10.553 1.00 13.93 O ATOM 0 H GLY A 47 -0.211 -6.337 11.338 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.533 -5.508 11.944 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.718 -6.928 12.569 1.00 11.68 H new ATOM 755 N LYS A 48 1.486 -7.247 9.549 1.00 10.47 N ATOM 756 CA LYS A 48 1.581 -8.084 8.393 1.00 8.82 C ATOM 757 C LYS A 48 2.233 -7.307 7.301 1.00 7.68 C ATOM 758 O LYS A 48 1.947 -6.186 6.885 1.00 6.47 O ATOM 759 CB LYS A 48 0.236 -8.639 7.894 1.00 9.74 C ATOM 760 CG LYS A 48 -0.399 -9.547 8.949 1.00 14.14 C ATOM 761 CD LYS A 48 -1.467 -10.559 8.529 1.00 16.32 C ATOM 762 CE LYS A 48 -1.002 -11.743 7.679 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.216 -12.537 7.385 1.00 23.92 N ATOM 0 H LYS A 48 0.613 -6.719 9.539 1.00 10.47 H new ATOM 0 HA LYS A 48 2.169 -8.955 8.684 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.439 -7.815 7.662 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.387 -9.197 6.970 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.407 -10.103 9.429 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.840 -8.904 9.710 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.935 -10.952 9.431 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.240 -10.026 7.975 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.528 -11.400 6.759 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.265 -12.341 8.214 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.960 -13.361 6.805 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.644 -12.860 8.276 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.899 -11.948 6.867 1.00 23.92 H new ATOM 777 N GLN A 49 3.237 -8.003 6.739 1.00 8.89 N ATOM 778 CA GLN A 49 3.869 -7.643 5.508 1.00 7.18 C ATOM 779 C GLN A 49 3.219 -8.504 4.480 1.00 8.23 C ATOM 780 O GLN A 49 2.614 -9.539 4.756 1.00 9.70 O ATOM 781 CB GLN A 49 5.388 -7.883 5.538 1.00 11.67 C ATOM 782 CG GLN A 49 5.819 -9.209 6.168 1.00 15.82 C ATOM 783 CD GLN A 49 7.304 -9.516 6.045 1.00 20.21 C ATOM 784 OE1 GLN A 49 8.095 -9.006 6.837 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.772 -10.187 4.958 1.00 20.67 N ATOM 0 H GLN A 49 3.623 -8.849 7.158 1.00 8.89 H new ATOM 0 HA GLN A 49 3.751 -6.579 5.302 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.768 -7.842 4.517 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.859 -7.067 6.086 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.550 -9.199 7.224 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.255 -10.017 5.703 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.118 -10.611 4.300 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.777 -10.266 4.801 1.00 20.67 H new ATOM 794 N LEU A 50 3.317 -8.018 3.230 1.00 6.51 N ATOM 795 CA LEU A 50 2.366 -8.393 2.229 1.00 7.41 C ATOM 796 C LEU A 50 3.029 -9.027 1.055 1.00 8.27 C ATOM 797 O LEU A 50 4.238 -8.858 0.908 1.00 8.34 O ATOM 798 CB LEU A 50 1.506 -7.218 1.736 1.00 7.13 C ATOM 799 CG LEU A 50 0.759 -6.583 2.922 1.00 7.53 C ATOM 800 CD1 LEU A 50 0.179 -5.360 2.193 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.385 -7.419 3.521 1.00 8.14 C ATOM 0 H LEU A 50 4.043 -7.375 2.915 1.00 6.51 H new ATOM 0 HA LEU A 50 1.708 -9.111 2.718 1.00 7.41 H new ATOM 0 HB2 LEU A 50 2.136 -6.473 1.251 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.792 -7.566 0.990 1.00 7.13 H new ATOM 0 HG LEU A 50 1.402 -6.421 3.787 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.405 -4.763 2.893 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.993 -4.756 1.792 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -0.462 -5.693 1.377 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -0.839 -6.874 4.349 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.137 -7.608 2.755 1.00 8.14 H new ATOM 0 HD23 LEU A 50 0.009 -8.368 3.884 1.00 8.14 H new ATOM 813 N GLU A 51 2.247 -9.674 0.173 1.00 9.43 N ATOM 814 CA GLU A 51 2.674 -10.092 -1.126 1.00 11.90 C ATOM 815 C GLU A 51 2.138 -9.103 -2.104 1.00 11.49 C ATOM 816 O GLU A 51 1.471 -8.143 -1.722 1.00 9.88 O ATOM 817 CB GLU A 51 2.287 -11.558 -1.380 1.00 16.56 C ATOM 818 CG GLU A 51 2.864 -12.528 -0.347 1.00 26.06 C ATOM 819 CD GLU A 51 2.904 -13.974 -0.823 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.774 -14.528 -0.875 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.965 -14.575 -1.138 1.00 33.44 O ATOM 0 H GLU A 51 1.277 -9.916 0.373 1.00 9.43 H new ATOM 0 HA GLU A 51 3.759 -10.095 -1.230 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.200 -11.644 -1.381 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.630 -11.850 -2.373 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.874 -12.211 -0.089 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.269 -12.471 0.565 1.00 26.06 H new ATOM 828 N ASP A 52 2.454 -9.237 -3.405 1.00 12.71 N ATOM 829 CA ASP A 52 2.225 -8.254 -4.418 1.00 16.56 C ATOM 830 C ASP A 52 1.035 -8.604 -5.244 1.00 15.83 C ATOM 831 O ASP A 52 0.153 -7.776 -5.469 1.00 17.21 O ATOM 832 CB ASP A 52 3.488 -8.160 -5.291 1.00 21.05 C ATOM 833 CG ASP A 52 4.630 -7.673 -4.411 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.467 -6.588 -3.791 1.00 28.37 O ATOM 835 OD2 ASP A 52 5.669 -8.372 -4.552 1.00 25.82 O ATOM 0 H ASP A 52 2.895 -10.081 -3.770 1.00 12.71 H new ATOM 0 HA ASP A 52 2.020 -7.289 -3.955 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.727 -9.132 -5.722 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.327 -7.473 -6.122 1.00 21.05 H new ATOM 840 N GLY A 53 0.988 -9.826 -5.804 1.00 15.00 N ATOM 841 CA GLY A 53 0.035 -10.262 -6.778 1.00 11.77 C ATOM 842 C GLY A 53 -1.334 -10.636 -6.325 1.00 11.10 C ATOM 843 O GLY A 53 -2.096 -11.289 -7.037 1.00 11.25 O ATOM 0 H GLY A 53 1.658 -10.555 -5.561 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.068 -9.468 -7.518 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.460 -11.124 -7.292 1.00 11.77 H new ATOM 847 N ARG A 54 -1.688 -10.221 -5.095 1.00 8.53 N ATOM 848 CA ARG A 54 -2.884 -10.568 -4.391 1.00 9.05 C ATOM 849 C ARG A 54 -3.725 -9.364 -4.145 1.00 8.96 C ATOM 850 O ARG A 54 -3.145 -8.279 -4.132 1.00 11.60 O ATOM 851 CB ARG A 54 -2.517 -11.112 -3.000 1.00 7.97 C ATOM 852 CG ARG A 54 -1.794 -12.460 -3.003 1.00 9.62 C ATOM 853 CD ARG A 54 -1.718 -13.004 -1.575 1.00 12.20 C ATOM 854 NE ARG A 54 -0.686 -14.079 -1.575 1.00 18.23 N ATOM 855 CZ ARG A 54 -0.905 -15.346 -2.033 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.118 -15.829 -2.431 1.00 23.38 N ATOM 857 NH2 ARG A 54 0.145 -16.217 -1.993 1.00 25.50 N ATOM 0 H ARG A 54 -1.092 -9.596 -4.553 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.419 -11.300 -4.997 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.887 -10.380 -2.495 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.429 -11.207 -2.411 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.322 -13.166 -3.644 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -0.791 -12.345 -3.413 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -1.451 -12.213 -0.874 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.685 -13.397 -1.260 1.00 12.20 H new ATOM 0 HE ARG A 54 0.240 -13.854 -1.211 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.942 -15.229 -2.397 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -2.201 -16.790 -2.762 1.00 23.38 H new ATOM 0 HH21 ARG A 54 1.048 -15.911 -1.631 1.00 25.50 H new ATOM 0 HH22 ARG A 54 0.027 -17.174 -2.325 1.00 25.50 H new ATOM 871 N THR A 55 -5.055 -9.507 -4.004 1.00 9.05 N ATOM 872 CA THR A 55 -5.953 -8.399 -3.904 1.00 9.03 C ATOM 873 C THR A 55 -6.161 -7.916 -2.510 1.00 8.15 C ATOM 874 O THR A 55 -5.820 -8.602 -1.548 1.00 5.91 O ATOM 875 CB THR A 55 -7.306 -8.680 -4.488 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.108 -9.549 -3.703 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.170 -9.222 -5.921 1.00 11.71 C ATOM 0 H THR A 55 -5.517 -10.415 -3.958 1.00 9.05 H new ATOM 0 HA THR A 55 -5.451 -7.624 -4.483 1.00 9.03 H new ATOM 0 HB THR A 55 -7.829 -7.724 -4.501 1.00 11.15 H new ATOM 0 HG1 THR A 55 -7.912 -10.479 -3.941 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.160 -9.421 -6.330 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.662 -8.484 -6.542 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.591 -10.145 -5.907 1.00 11.71 H new ATOM 885 N LEU A 56 -6.840 -6.760 -2.399 1.00 6.91 N ATOM 886 CA LEU A 56 -7.180 -6.162 -1.145 1.00 8.29 C ATOM 887 C LEU A 56 -8.157 -7.047 -0.451 1.00 8.05 C ATOM 888 O LEU A 56 -8.274 -7.110 0.772 1.00 10.17 O ATOM 889 CB LEU A 56 -7.839 -4.796 -1.404 1.00 6.60 C ATOM 890 CG LEU A 56 -6.785 -3.821 -1.955 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.342 -2.708 -2.858 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.896 -3.239 -0.842 1.00 9.85 C ATOM 0 H LEU A 56 -7.162 -6.225 -3.206 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.287 -6.031 -0.534 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.659 -4.903 -2.114 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.266 -4.404 -0.481 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.166 -4.438 -2.606 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.525 -2.072 -3.197 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.838 -3.153 -3.721 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.059 -2.109 -2.297 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.167 -2.556 -1.278 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.516 -2.699 -0.126 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.375 -4.049 -0.332 1.00 9.85 H new ATOM 904 N SER A 57 -8.981 -7.748 -1.249 1.00 8.92 N ATOM 905 CA SER A 57 -10.050 -8.596 -0.820 1.00 9.00 C ATOM 906 C SER A 57 -9.544 -9.838 -0.171 1.00 9.44 C ATOM 907 O SER A 57 -10.038 -10.258 0.874 1.00 10.91 O ATOM 908 CB SER A 57 -10.963 -8.944 -2.008 1.00 10.32 C ATOM 909 OG SER A 57 -12.217 -9.519 -1.673 1.00 13.59 O ATOM 0 H SER A 57 -8.894 -7.720 -2.265 1.00 8.92 H new ATOM 0 HA SER A 57 -10.628 -8.049 -0.075 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.143 -8.035 -2.583 1.00 10.32 H new ATOM 0 HB3 SER A 57 -10.430 -9.635 -2.662 1.00 10.32 H new ATOM 0 HG SER A 57 -12.722 -9.702 -2.492 1.00 13.59 H new ATOM 915 N ASP A 58 -8.508 -10.477 -0.744 1.00 9.11 N ATOM 916 CA ASP A 58 -7.871 -11.640 -0.210 1.00 7.91 C ATOM 917 C ASP A 58 -7.256 -11.548 1.144 1.00 9.12 C ATOM 918 O ASP A 58 -7.058 -12.449 1.957 1.00 8.61 O ATOM 919 CB ASP A 58 -6.899 -12.242 -1.238 1.00 8.41 C ATOM 920 CG ASP A 58 -7.517 -12.339 -2.626 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.587 -12.993 -2.756 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.939 -11.771 -3.590 1.00 10.05 O ATOM 0 H ASP A 58 -8.095 -10.166 -1.623 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.707 -12.315 -0.024 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -5.998 -11.630 -1.285 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.593 -13.235 -0.908 1.00 8.41 H new ATOM 927 N TYR A 59 -6.809 -10.347 1.553 1.00 7.97 N ATOM 928 CA TYR A 59 -6.376 -9.983 2.866 1.00 8.45 C ATOM 929 C TYR A 59 -7.357 -9.612 3.924 1.00 10.98 C ATOM 930 O TYR A 59 -6.996 -9.613 5.100 1.00 12.95 O ATOM 931 CB TYR A 59 -5.455 -8.765 2.673 1.00 7.94 C ATOM 932 CG TYR A 59 -4.112 -9.242 2.239 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.411 -10.054 3.099 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.576 -8.916 1.016 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.165 -10.520 2.752 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.379 -9.467 0.621 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.671 -10.257 1.496 1.00 6.76 C ATOM 938 OH TYR A 59 -0.457 -10.908 1.192 1.00 7.63 O ATOM 0 H TYR A 59 -6.746 -9.562 0.905 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.949 -10.906 3.258 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.874 -8.089 1.928 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.373 -8.203 3.603 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.841 -10.327 4.051 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.094 -8.227 0.365 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.579 -11.088 3.460 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.997 -9.280 -0.372 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.410 -11.757 1.679 1.00 7.63 H new ATOM 948 N ASN A 60 -8.527 -9.095 3.511 1.00 12.38 N ATOM 949 CA ASN A 60 -9.429 -8.272 4.256 1.00 13.94 C ATOM 950 C ASN A 60 -9.011 -6.868 4.526 1.00 14.16 C ATOM 951 O ASN A 60 -9.111 -6.288 5.606 1.00 14.26 O ATOM 952 CB ASN A 60 -9.862 -8.950 5.567 1.00 19.23 C ATOM 953 CG ASN A 60 -11.363 -8.814 5.782 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.121 -9.139 4.870 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.819 -8.273 6.944 1.00 24.09 N ATOM 0 H ASN A 60 -8.872 -9.270 2.567 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.271 -8.174 3.571 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.589 -10.005 5.542 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -9.329 -8.502 6.406 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.819 -8.125 7.080 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.161 -8.015 7.679 1.00 24.09 H new ATOM 962 N ILE A 61 -8.558 -6.175 3.466 1.00 11.08 N ATOM 963 CA ILE A 61 -8.238 -4.785 3.563 1.00 11.78 C ATOM 964 C ILE A 61 -9.469 -4.074 3.117 1.00 13.74 C ATOM 965 O ILE A 61 -9.800 -3.913 1.944 1.00 14.60 O ATOM 966 CB ILE A 61 -7.038 -4.414 2.743 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.799 -5.112 3.329 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.738 -2.905 2.738 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.677 -5.449 2.347 1.00 11.42 C ATOM 0 H ILE A 61 -8.413 -6.578 2.540 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.960 -4.509 4.580 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.260 -4.723 1.721 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.387 -4.475 4.112 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.123 -6.036 3.807 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.858 -2.711 2.125 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.592 -2.366 2.328 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.552 -2.568 3.758 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.861 -5.937 2.880 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.058 -6.118 1.575 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.311 -4.532 1.884 1.00 11.42 H new ATOM 981 N GLN A 62 -10.256 -3.605 4.102 1.00 13.97 N ATOM 982 CA GLN A 62 -11.601 -3.187 3.854 1.00 15.52 C ATOM 983 C GLN A 62 -11.594 -1.698 3.794 1.00 13.94 C ATOM 984 O GLN A 62 -10.514 -1.118 3.896 1.00 12.15 O ATOM 985 CB GLN A 62 -12.497 -3.605 5.032 1.00 19.53 C ATOM 986 CG GLN A 62 -12.662 -5.092 5.349 1.00 26.38 C ATOM 987 CD GLN A 62 -13.643 -5.450 6.456 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.296 -5.479 7.635 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.941 -5.598 6.077 1.00 32.71 N ATOM 0 H GLN A 62 -9.959 -3.515 5.074 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.973 -3.633 2.932 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.110 -3.119 5.928 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.491 -3.195 4.851 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.976 -5.601 4.438 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.685 -5.493 5.617 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.190 -5.568 5.088 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.665 -5.739 6.781 1.00 32.71 H new ATOM 998 N LYS A 63 -12.747 -1.019 3.656 1.00 11.73 N ATOM 999 CA LYS A 63 -12.763 0.407 3.562 1.00 11.97 C ATOM 1000 C LYS A 63 -12.338 1.061 4.832 1.00 10.41 C ATOM 1001 O LYS A 63 -12.500 0.507 5.918 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.017 1.142 3.058 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.262 0.899 3.914 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.545 1.153 3.122 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.779 1.126 4.026 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.891 -0.250 4.559 1.00 25.97 N ATOM 0 H LYS A 63 -13.667 -1.457 3.610 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.047 0.519 2.748 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.812 2.212 3.028 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.224 0.828 2.035 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.257 -0.127 4.282 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.237 1.551 4.787 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.480 2.120 2.623 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.648 0.398 2.342 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.679 1.847 4.837 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.674 1.397 3.466 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.832 -0.383 4.982 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.759 -0.933 3.786 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.161 -0.402 5.284 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.702 2.237 4.689 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.204 3.090 5.723 1.00 10.94 C ATOM 1022 C GLU A 64 -9.935 2.624 6.349 1.00 9.74 C ATOM 1023 O GLU A 64 -9.449 3.214 7.313 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.359 3.316 6.713 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.378 4.721 7.319 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.262 4.787 8.556 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.887 4.195 9.603 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.458 5.165 8.438 1.00 31.72 O ATOM 0 H GLU A 64 -11.521 2.625 3.763 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.894 4.044 5.296 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -13.305 3.136 6.202 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -12.287 2.583 7.517 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.363 5.018 7.581 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.737 5.433 6.576 1.00 24.16 H new ATOM 1035 N SER A 65 -9.337 1.562 5.780 1.00 6.85 N ATOM 1036 CA SER A 65 -8.145 0.937 6.262 1.00 6.90 C ATOM 1037 C SER A 65 -6.932 1.802 6.230 1.00 4.72 C ATOM 1038 O SER A 65 -6.707 2.582 5.306 1.00 3.91 O ATOM 1039 CB SER A 65 -7.958 -0.431 5.585 1.00 7.28 C ATOM 1040 OG SER A 65 -6.878 -1.213 6.075 1.00 10.56 O ATOM 0 H SER A 65 -9.705 1.116 4.939 1.00 6.85 H new ATOM 0 HA SER A 65 -8.281 0.766 7.330 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.879 -1.003 5.700 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.813 -0.271 4.517 1.00 7.28 H new ATOM 0 HG SER A 65 -7.020 -2.153 5.837 1.00 10.56 H new ATOM 1046 N THR A 66 -6.043 1.760 7.238 1.00 4.48 N ATOM 1047 CA THR A 66 -4.784 2.431 7.145 1.00 3.80 C ATOM 1048 C THR A 66 -3.687 1.551 6.652 1.00 4.60 C ATOM 1049 O THR A 66 -3.121 0.754 7.398 1.00 5.33 O ATOM 1050 CB THR A 66 -4.291 3.141 8.371 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.242 3.953 9.044 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.133 4.026 7.881 1.00 3.40 C ATOM 0 H THR A 66 -6.195 1.263 8.115 1.00 4.48 H new ATOM 0 HA THR A 66 -5.027 3.205 6.417 1.00 3.80 H new ATOM 0 HB THR A 66 -4.017 2.388 9.110 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.823 4.368 9.827 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.717 4.580 8.723 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.357 3.399 7.440 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.502 4.727 7.132 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.185 1.602 5.405 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.011 0.941 4.928 1.00 3.85 C ATOM 1062 C LEU A 67 -0.802 1.758 5.234 1.00 3.80 C ATOM 1063 O LEU A 67 -0.739 2.948 4.928 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.995 0.620 3.423 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.889 -0.569 3.032 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.193 -0.571 1.525 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.329 -1.951 3.406 1.00 8.12 C ATOM 0 H LEU A 67 -3.638 2.150 4.674 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.011 -0.015 5.451 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.317 1.502 2.869 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.970 0.408 3.117 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.796 -0.415 3.617 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.827 -1.424 1.283 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.708 0.351 1.256 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.260 -0.642 0.966 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.029 -2.725 3.090 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.372 -2.103 2.908 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.189 -2.007 4.486 1.00 8.12 H new ATOM 1079 N HIS A 68 0.236 1.184 5.867 1.00 2.94 N ATOM 1080 CA HIS A 68 1.375 1.897 6.354 1.00 4.17 C ATOM 1081 C HIS A 68 2.577 1.660 5.505 1.00 5.32 C ATOM 1082 O HIS A 68 2.899 0.503 5.241 1.00 7.70 O ATOM 1083 CB HIS A 68 1.813 1.443 7.757 1.00 5.57 C ATOM 1084 CG HIS A 68 0.800 1.893 8.767 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.313 1.193 9.186 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.920 2.977 9.580 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.850 1.890 10.222 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.160 2.995 10.438 1.00 16.30 N ATOM 0 H HIS A 68 0.283 0.181 6.047 1.00 2.94 H new ATOM 0 HA HIS A 68 1.053 2.938 6.352 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.913 0.358 7.785 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.791 1.860 7.997 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.723 3.699 9.558 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.717 1.584 10.788 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.384 3.726 11.113 1.00 16.30 H new ATOM 1096 N LEU A 69 3.234 2.712 4.987 1.00 5.29 N ATOM 1097 CA LEU A 69 4.371 2.594 4.127 1.00 3.97 C ATOM 1098 C LEU A 69 5.577 2.635 5.001 1.00 5.07 C ATOM 1099 O LEU A 69 5.711 3.555 5.806 1.00 4.34 O ATOM 1100 CB LEU A 69 4.187 3.621 2.996 1.00 6.08 C ATOM 1101 CG LEU A 69 5.405 3.795 2.074 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.432 2.672 1.023 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.277 5.132 1.325 1.00 6.87 C ATOM 0 H LEU A 69 2.965 3.678 5.173 1.00 5.29 H new ATOM 0 HA LEU A 69 4.497 1.658 3.582 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.331 3.323 2.390 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.944 4.587 3.438 1.00 6.08 H new ATOM 0 HG LEU A 69 6.312 3.767 2.677 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.298 2.802 0.374 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.496 1.706 1.524 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.521 2.711 0.426 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.137 5.265 0.668 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.363 5.130 0.731 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.240 5.950 2.044 1.00 6.87 H new ATOM 1115 N VAL A 70 6.509 1.703 4.737 1.00 4.29 N ATOM 1116 CA VAL A 70 7.875 1.722 5.159 1.00 6.26 C ATOM 1117 C VAL A 70 8.756 1.800 3.960 1.00 9.22 C ATOM 1118 O VAL A 70 8.818 0.987 3.039 1.00 9.36 O ATOM 1119 CB VAL A 70 8.273 0.607 6.081 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.781 0.583 6.385 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.287 0.573 7.260 1.00 8.54 C ATOM 0 H VAL A 70 6.290 0.873 4.186 1.00 4.29 H new ATOM 0 HA VAL A 70 8.000 2.613 5.774 1.00 6.26 H new ATOM 0 HB VAL A 70 8.172 -0.365 5.599 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.004 -0.246 7.057 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.337 0.457 5.456 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.072 1.521 6.858 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.562 -0.233 7.941 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.322 1.524 7.791 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.278 0.403 6.885 1.00 8.54 H new ATOM 1131 N LEU A 71 9.420 2.964 3.843 1.00 12.71 N ATOM 1132 CA LEU A 71 10.120 3.397 2.674 1.00 16.06 C ATOM 1133 C LEU A 71 11.586 3.137 2.714 1.00 18.09 C ATOM 1134 O LEU A 71 12.294 3.654 3.576 1.00 19.26 O ATOM 1135 CB LEU A 71 9.782 4.882 2.461 1.00 17.10 C ATOM 1136 CG LEU A 71 10.555 5.668 1.389 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.546 4.973 0.017 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.043 7.115 1.288 1.00 17.51 C ATOM 0 H LEU A 71 9.471 3.639 4.606 1.00 12.71 H new ATOM 0 HA LEU A 71 9.788 2.807 1.820 1.00 16.06 H new ATOM 0 HB2 LEU A 71 8.721 4.948 2.219 1.00 17.10 H new ATOM 0 HB3 LEU A 71 9.924 5.393 3.413 1.00 17.10 H new ATOM 0 HG LEU A 71 11.596 5.696 1.711 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.107 5.574 -0.699 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.007 3.989 0.105 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.518 4.863 -0.328 1.00 19.57 H new ATOM 0 HD21 LEU A 71 10.607 7.648 0.523 1.00 17.51 H new ATOM 0 HD22 LEU A 71 8.986 7.109 1.022 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.173 7.615 2.248 1.00 17.51 H new ATOM 1150 N ARG A 72 12.145 2.243 1.878 1.00 21.47 N ATOM 1151 CA ARG A 72 13.391 1.557 2.023 1.00 25.83 C ATOM 1152 C ARG A 72 13.812 1.174 0.646 1.00 27.74 C ATOM 1153 O ARG A 72 13.442 1.794 -0.350 1.00 30.65 O ATOM 1154 CB ARG A 72 13.124 0.243 2.776 1.00 28.49 C ATOM 1155 CG ARG A 72 12.098 -0.620 2.038 1.00 31.79 C ATOM 1156 CD ARG A 72 12.257 -2.020 2.632 1.00 34.05 C ATOM 1157 NE ARG A 72 11.745 -3.037 1.671 1.00 35.08 N ATOM 1158 CZ ARG A 72 11.718 -4.393 1.827 1.00 34.67 C ATOM 1159 NH1 ARG A 72 12.336 -5.006 2.878 1.00 35.02 N ATOM 1160 NH2 ARG A 72 10.816 -5.093 1.079 1.00 34.97 N ATOM 0 H ARG A 72 11.674 1.976 1.014 1.00 21.47 H new ATOM 0 HA ARG A 72 14.129 2.169 2.542 1.00 25.83 H new ATOM 0 HB2 ARG A 72 14.056 -0.311 2.887 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.762 0.464 3.780 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.086 -0.242 2.184 1.00 31.79 H new ATOM 0 HG3 ARG A 72 12.285 -0.623 0.964 1.00 31.79 H new ATOM 0 HD2 ARG A 72 13.306 -2.213 2.855 1.00 34.05 H new ATOM 0 HD3 ARG A 72 11.712 -2.089 3.574 1.00 34.05 H new ATOM 0 HE ARG A 72 11.370 -2.678 0.793 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.834 -4.449 3.572 1.00 35.02 H new ATOM 0 HH12 ARG A 72 12.300 -6.021 2.970 1.00 35.02 H new ATOM 0 HH21 ARG A 72 10.196 -4.601 0.435 1.00 34.97 H new ATOM 0 HH22 ARG A 72 10.762 -6.108 1.164 1.00 34.97 H new ATOM 1174 N LEU A 73 14.730 0.219 0.410 1.00 28.93 N ATOM 1175 CA LEU A 73 15.044 -0.313 -0.880 1.00 30.76 C ATOM 1176 C LEU A 73 14.579 -1.724 -0.992 1.00 32.18 C ATOM 1177 O LEU A 73 14.260 -2.425 -0.032 1.00 32.31 O ATOM 1178 CB LEU A 73 16.569 -0.238 -1.061 1.00 30.53 C ATOM 1179 CG LEU A 73 17.069 1.195 -1.311 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.601 1.293 -1.216 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.576 1.855 -2.610 1.00 29.57 C ATOM 0 H LEU A 73 15.281 -0.203 1.157 1.00 28.93 H new ATOM 0 HA LEU A 73 14.540 0.263 -1.656 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.056 -0.638 -0.172 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.863 -0.872 -1.898 1.00 30.53 H new ATOM 0 HG LEU A 73 16.612 1.767 -0.503 1.00 30.16 H new ATOM 0 HD11 LEU A 73 18.912 2.322 -1.399 1.00 29.11 H new ATOM 0 HD12 LEU A 73 18.924 0.988 -0.221 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.054 0.639 -1.961 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.988 2.861 -2.686 1.00 29.57 H new ATOM 0 HD22 LEU A 73 16.903 1.264 -3.465 1.00 29.57 H new ATOM 0 HD23 LEU A 73 15.487 1.908 -2.601 1.00 29.57 H new ATOM 1193 N ARG A 74 14.565 -2.201 -2.250 1.00 33.82 N ATOM 1194 CA ARG A 74 14.101 -3.493 -2.649 1.00 35.33 C ATOM 1195 C ARG A 74 14.756 -4.674 -2.020 1.00 36.22 C ATOM 1196 O ARG A 74 15.980 -4.726 -1.913 1.00 36.70 O ATOM 1197 CB ARG A 74 14.248 -3.674 -4.169 1.00 36.91 C ATOM 1198 CG ARG A 74 13.808 -5.020 -4.749 1.00 38.62 C ATOM 1199 CD ARG A 74 13.891 -5.066 -6.276 1.00 39.75 C ATOM 1200 NE ARG A 74 13.373 -6.419 -6.624 1.00 41.13 N ATOM 1201 CZ ARG A 74 12.614 -6.604 -7.743 1.00 41.91 C ATOM 1202 NH1 ARG A 74 12.353 -5.647 -8.680 1.00 42.75 N ATOM 1203 NH2 ARG A 74 12.118 -7.852 -7.989 1.00 41.93 N ATOM 0 H ARG A 74 14.900 -1.647 -3.038 1.00 33.82 H new ATOM 0 HA ARG A 74 13.067 -3.485 -2.304 1.00 35.33 H new ATOM 0 HB2 ARG A 74 13.675 -2.888 -4.662 1.00 36.91 H new ATOM 0 HB3 ARG A 74 15.295 -3.517 -4.430 1.00 36.91 H new ATOM 0 HG2 ARG A 74 14.432 -5.811 -4.332 1.00 38.62 H new ATOM 0 HG3 ARG A 74 12.783 -5.226 -4.439 1.00 38.62 H new ATOM 0 HD2 ARG A 74 13.291 -4.279 -6.732 1.00 39.75 H new ATOM 0 HD3 ARG A 74 14.915 -4.929 -6.625 1.00 39.75 H new ATOM 0 HE ARG A 74 13.587 -7.213 -6.021 1.00 41.13 H new ATOM 0 HH11 ARG A 74 12.737 -4.708 -8.571 1.00 42.75 H new ATOM 0 HH12 ARG A 74 11.774 -5.870 -9.489 1.00 42.75 H new ATOM 0 HH21 ARG A 74 12.318 -8.617 -7.344 1.00 41.93 H new ATOM 0 HH22 ARG A 74 11.547 -8.020 -8.818 1.00 41.93 H new ATOM 1217 N GLY A 75 13.982 -5.654 -1.519 1.00 36.31 N ATOM 1218 CA GLY A 75 14.549 -6.740 -0.782 1.00 36.07 C ATOM 1219 C GLY A 75 13.912 -7.994 -1.273 1.00 36.16 C ATOM 1220 O GLY A 75 14.007 -8.456 -2.409 1.00 36.26 O ATOM 0 H GLY A 75 12.968 -5.694 -1.624 1.00 36.31 H new ATOM 0 HA2 GLY A 75 15.629 -6.777 -0.924 1.00 36.07 H new ATOM 0 HA3 GLY A 75 14.372 -6.613 0.286 1.00 36.07 H new ATOM 1224 N GLY A 76 13.168 -8.570 -0.312 1.00 36.05 N ATOM 1225 CA GLY A 76 12.410 -9.779 -0.406 1.00 36.19 C ATOM 1226 C GLY A 76 12.323 -10.531 0.914 1.00 36.20 C ATOM 1227 O GLY A 76 12.748 -11.705 1.080 1.00 36.13 O ATOM 1228 OXT GLY A 76 11.839 -9.899 1.891 1.00 36.27 O ATOM 0 H GLY A 76 13.091 -8.150 0.614 1.00 36.05 H new ATOM 0 HA2 GLY A 76 11.403 -9.544 -0.751 1.00 36.19 H new ATOM 0 HA3 GLY A 76 12.861 -10.427 -1.158 1.00 36.19 H new TER 1232 GLY A 76