USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -61:sc= 1.21 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0905 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 150:sc= 2.21 (180deg=0.915) USER MOD Set 3.2: A 12 THR OG1 : rot 90:sc= 1 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00694) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.29 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.18 (180deg=-0.661!) 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= -0.199 K(o=-0.2,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.35 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.825 (180deg=0.785) USER MOD Single : A 31 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 41 GLN : amide:sc= 0.579 K(o=0.58,f=-2.1) 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) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.771 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -145:sc= 0.627 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.588 -6.884 -5.147 1.00 9.67 N ATOM 2 CA MET A 1 11.507 -7.326 -3.782 1.00 10.38 C ATOM 3 C MET A 1 10.099 -7.811 -3.427 1.00 9.62 C ATOM 4 O MET A 1 9.135 -7.679 -4.240 1.00 9.62 O ATOM 5 CB MET A 1 11.961 -6.213 -2.777 1.00 13.77 C ATOM 6 CG MET A 1 11.113 -4.911 -2.595 1.00 16.29 C ATOM 7 SD MET A 1 12.043 -3.608 -1.680 1.00 17.17 S ATOM 8 CE MET A 1 10.641 -2.428 -1.782 1.00 16.11 C ATOM 0 H1 MET A 1 12.547 -6.531 -5.341 1.00 9.67 H new ATOM 0 H2 MET A 1 11.376 -7.679 -5.783 1.00 9.67 H new ATOM 0 H3 MET A 1 10.900 -6.121 -5.306 1.00 9.67 H new ATOM 0 HA MET A 1 12.195 -8.167 -3.690 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.046 -6.681 -1.796 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.964 -5.905 -3.071 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.820 -4.529 -3.573 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.195 -5.148 -2.057 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.908 -1.501 -1.274 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.418 -2.217 -2.828 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.763 -2.864 -1.305 1.00 16.11 H new ATOM 20 N GLN A 2 9.859 -8.390 -2.277 1.00 9.27 N ATOM 21 CA GLN A 2 8.534 -8.790 -1.783 1.00 9.07 C ATOM 22 C GLN A 2 8.177 -7.888 -0.578 1.00 8.72 C ATOM 23 O GLN A 2 9.093 -7.445 0.140 1.00 8.22 O ATOM 24 CB GLN A 2 8.408 -10.268 -1.286 1.00 14.46 C ATOM 25 CG GLN A 2 7.807 -11.194 -2.414 1.00 17.01 C ATOM 26 CD GLN A 2 8.844 -11.389 -3.516 1.00 20.10 C ATOM 27 OE1 GLN A 2 10.050 -11.360 -3.306 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.278 -11.717 -4.726 1.00 19.49 N ATOM 0 H GLN A 2 10.606 -8.612 -1.618 1.00 9.27 H new ATOM 0 HA GLN A 2 7.869 -8.689 -2.640 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.388 -10.640 -0.989 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.771 -10.305 -0.402 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.521 -12.158 -1.994 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.903 -10.745 -2.825 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.263 -11.721 -4.830 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.873 -11.956 -5.519 1.00 19.49 H new ATOM 37 N ILE A 3 6.934 -7.597 -0.356 1.00 5.87 N ATOM 38 CA ILE A 3 6.432 -6.878 0.826 1.00 5.07 C ATOM 39 C ILE A 3 5.068 -7.483 1.191 1.00 4.01 C ATOM 40 O ILE A 3 4.443 -8.217 0.430 1.00 4.61 O ATOM 41 CB ILE A 3 6.253 -5.284 0.557 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.417 -4.983 -0.665 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.593 -4.618 0.580 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.971 -3.560 -0.816 1.00 10.83 C ATOM 0 H ILE A 3 6.192 -7.854 -1.006 1.00 5.87 H new ATOM 0 HA ILE A 3 7.157 -6.986 1.633 1.00 5.07 H new ATOM 0 HB ILE A 3 5.669 -4.850 1.368 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.989 -5.261 -1.550 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.533 -5.621 -0.643 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.472 -3.550 0.400 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.059 -4.771 1.554 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.226 -5.047 -0.196 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.379 -3.459 -1.726 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.366 -3.275 0.044 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.844 -2.910 -0.877 1.00 10.83 H new ATOM 56 N PHE A 4 4.630 -7.284 2.432 1.00 4.55 N ATOM 57 CA PHE A 4 3.371 -7.812 2.981 1.00 4.68 C ATOM 58 C PHE A 4 2.423 -6.685 3.311 1.00 5.30 C ATOM 59 O PHE A 4 2.887 -5.726 3.944 1.00 5.58 O ATOM 60 CB PHE A 4 3.572 -8.692 4.209 1.00 4.83 C ATOM 61 CG PHE A 4 4.633 -9.729 3.943 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.358 -10.834 3.119 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.894 -9.702 4.574 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.347 -11.751 2.759 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.856 -10.644 4.289 1.00 10.61 C ATOM 66 CZ PHE A 4 6.618 -11.651 3.310 1.00 8.90 C ATOM 0 H PHE A 4 5.155 -6.733 3.111 1.00 4.55 H new ATOM 0 HA PHE A 4 2.942 -8.443 2.203 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.861 -8.077 5.062 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.634 -9.181 4.472 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.352 -10.978 2.754 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.109 -8.927 5.295 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.124 -12.537 2.053 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.800 -10.620 4.813 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.407 -12.321 3.003 1.00 8.90 H new ATOM 76 N VAL A 5 1.136 -6.689 2.897 1.00 4.44 N ATOM 77 CA VAL A 5 0.140 -5.746 3.188 1.00 3.87 C ATOM 78 C VAL A 5 -0.869 -6.450 4.144 1.00 4.93 C ATOM 79 O VAL A 5 -1.458 -7.454 3.776 1.00 6.84 O ATOM 80 CB VAL A 5 -0.591 -5.164 1.997 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.742 -4.198 2.338 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.428 -4.430 1.077 1.00 9.13 C ATOM 0 H VAL A 5 0.781 -7.436 2.301 1.00 4.44 H new ATOM 0 HA VAL A 5 0.631 -4.881 3.633 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.056 -6.015 1.500 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.200 -3.838 1.417 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.490 -4.720 2.935 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.352 -3.352 2.904 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.095 -4.009 0.218 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.911 -3.629 1.636 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.182 -5.137 0.732 1.00 9.13 H new ATOM 92 N LYS A 6 -1.159 -6.013 5.387 1.00 6.04 N ATOM 93 CA LYS A 6 -2.089 -6.639 6.316 1.00 6.12 C ATOM 94 C LYS A 6 -3.509 -5.951 6.219 1.00 6.57 C ATOM 95 O LYS A 6 -3.627 -4.728 6.357 1.00 5.76 O ATOM 96 CB LYS A 6 -1.541 -6.530 7.686 1.00 7.45 C ATOM 97 CG LYS A 6 -2.351 -7.454 8.691 1.00 11.12 C ATOM 98 CD LYS A 6 -2.461 -8.891 8.213 1.00 14.54 C ATOM 99 CE LYS A 6 -2.513 -9.929 9.366 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.602 -11.291 8.761 1.00 20.55 N ATOM 0 H LYS A 6 -0.726 -5.176 5.776 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.213 -7.692 6.062 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.490 -6.818 7.686 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.587 -5.493 8.020 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.864 -7.437 9.666 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.352 -7.044 8.828 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.358 -8.994 7.602 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.610 -9.117 7.570 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.624 -9.848 9.991 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.373 -9.741 10.009 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.147 -11.981 9.392 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.601 -11.548 8.630 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.120 -11.294 7.839 1.00 20.55 H new ATOM 114 N THR A 7 -4.602 -6.766 6.046 1.00 7.41 N ATOM 115 CA THR A 7 -5.915 -6.163 5.962 1.00 7.48 C ATOM 116 C THR A 7 -6.635 -6.063 7.244 1.00 8.75 C ATOM 117 O THR A 7 -6.319 -6.771 8.221 1.00 8.58 O ATOM 118 CB THR A 7 -6.771 -6.665 4.825 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.324 -7.934 5.054 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.910 -6.776 3.550 1.00 9.17 C ATOM 0 H THR A 7 -4.575 -7.783 5.969 1.00 7.41 H new ATOM 0 HA THR A 7 -5.690 -5.130 5.697 1.00 7.48 H new ATOM 0 HB THR A 7 -7.586 -5.948 4.725 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.867 -8.198 4.282 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.525 -7.138 2.726 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.506 -5.796 3.297 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.090 -7.472 3.724 1.00 9.17 H new ATOM 128 N LEU A 8 -7.635 -5.158 7.323 1.00 9.84 N ATOM 129 CA LEU A 8 -8.498 -4.990 8.452 1.00 14.15 C ATOM 130 C LEU A 8 -9.413 -6.236 8.685 1.00 17.37 C ATOM 131 O LEU A 8 -9.842 -6.566 9.777 1.00 17.01 O ATOM 132 CB LEU A 8 -9.424 -3.777 8.247 1.00 16.63 C ATOM 133 CG LEU A 8 -8.694 -2.440 8.108 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.477 -1.283 7.405 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.203 -1.823 9.423 1.00 18.59 C ATOM 0 H LEU A 8 -7.849 -4.514 6.561 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.847 -4.849 9.315 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.027 -3.942 7.354 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.113 -3.715 9.089 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.868 -2.777 7.481 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.852 -0.390 7.369 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.738 -1.584 6.391 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.387 -1.067 7.965 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.699 -0.879 9.216 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.053 -1.644 10.081 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.506 -2.507 9.908 1.00 18.59 H new ATOM 147 N THR A 9 -9.723 -6.981 7.602 1.00 18.33 N ATOM 148 CA THR A 9 -10.469 -8.159 7.729 1.00 19.24 C ATOM 149 C THR A 9 -9.509 -9.343 7.918 1.00 19.48 C ATOM 150 O THR A 9 -9.913 -10.475 7.943 1.00 23.14 O ATOM 151 CB THR A 9 -11.446 -8.465 6.617 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.832 -8.568 5.338 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.422 -7.266 6.695 1.00 19.70 C ATOM 0 H THR A 9 -9.448 -6.750 6.647 1.00 18.33 H new ATOM 0 HA THR A 9 -11.103 -7.995 8.601 1.00 19.24 H new ATOM 0 HB THR A 9 -11.926 -9.436 6.738 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.514 -8.768 4.663 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.190 -7.371 5.928 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.892 -7.243 7.678 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.873 -6.339 6.534 1.00 19.70 H new ATOM 161 N GLY A 10 -8.165 -9.076 8.091 1.00 19.43 N ATOM 162 CA GLY A 10 -7.167 -10.059 8.578 1.00 18.74 C ATOM 163 C GLY A 10 -6.233 -10.671 7.552 1.00 17.62 C ATOM 164 O GLY A 10 -5.322 -11.431 7.966 1.00 19.74 O ATOM 0 H GLY A 10 -7.759 -8.162 7.890 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.558 -9.572 9.340 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.705 -10.870 9.070 1.00 18.74 H new ATOM 168 N LYS A 11 -6.475 -10.511 6.281 1.00 13.56 N ATOM 169 CA LYS A 11 -5.567 -11.078 5.296 1.00 11.91 C ATOM 170 C LYS A 11 -4.181 -10.469 5.092 1.00 10.18 C ATOM 171 O LYS A 11 -4.052 -9.276 4.986 1.00 9.10 O ATOM 172 CB LYS A 11 -6.354 -11.136 3.958 1.00 13.43 C ATOM 173 CG LYS A 11 -5.682 -11.820 2.768 1.00 16.69 C ATOM 174 CD LYS A 11 -6.497 -11.825 1.465 1.00 17.92 C ATOM 175 CE LYS A 11 -7.894 -12.411 1.452 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.430 -12.474 0.101 1.00 21.93 N ATOM 0 H LYS A 11 -7.274 -10.005 5.898 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.279 -12.046 5.706 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.300 -11.644 4.147 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.594 -10.114 3.666 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.728 -11.327 2.578 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.459 -12.851 3.041 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.575 -10.792 1.126 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.912 -12.362 0.718 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.875 -13.411 1.885 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.550 -11.806 2.078 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.359 -12.007 0.074 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.781 -11.992 -0.553 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.534 -13.468 -0.185 1.00 21.93 H new ATOM 190 N THR A 12 -3.127 -11.308 5.025 1.00 9.63 N ATOM 191 CA THR A 12 -1.819 -10.839 4.640 1.00 9.85 C ATOM 192 C THR A 12 -1.688 -10.975 3.163 1.00 11.66 C ATOM 193 O THR A 12 -1.651 -12.068 2.615 1.00 12.33 O ATOM 194 CB THR A 12 -0.698 -11.546 5.328 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.919 -11.761 6.748 1.00 10.91 O ATOM 196 CG2 THR A 12 0.591 -10.698 5.301 1.00 9.63 C ATOM 0 H THR A 12 -3.175 -12.305 5.235 1.00 9.63 H new ATOM 0 HA THR A 12 -1.739 -9.797 4.949 1.00 9.85 H new ATOM 0 HB THR A 12 -0.625 -12.491 4.789 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.369 -12.621 6.882 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.391 -11.236 5.809 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.880 -10.508 4.267 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.413 -9.750 5.808 1.00 9.63 H new ATOM 204 N ILE A 13 -1.557 -9.869 2.421 1.00 10.42 N ATOM 205 CA ILE A 13 -1.375 -9.991 0.951 1.00 11.84 C ATOM 206 C ILE A 13 0.100 -9.925 0.594 1.00 10.55 C ATOM 207 O ILE A 13 0.765 -8.923 0.888 1.00 11.92 O ATOM 208 CB ILE A 13 -1.972 -8.741 0.212 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.373 -8.431 0.748 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.008 -9.023 -1.257 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.897 -7.069 0.282 1.00 16.46 C ATOM 0 H ILE A 13 -1.571 -8.916 2.783 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.851 -10.928 0.663 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.347 -7.866 0.392 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.062 -9.211 0.424 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.354 -8.455 1.838 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.421 -8.162 -1.783 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.997 -9.216 -1.615 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.632 -9.896 -1.445 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.893 -6.903 0.692 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.226 -6.283 0.629 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.945 -7.051 -0.807 1.00 16.46 H new ATOM 223 N THR A 14 0.666 -10.914 -0.089 1.00 9.39 N ATOM 224 CA THR A 14 2.037 -10.882 -0.559 1.00 9.63 C ATOM 225 C THR A 14 2.153 -10.061 -1.857 1.00 11.20 C ATOM 226 O THR A 14 1.472 -10.447 -2.802 1.00 11.63 O ATOM 227 CB THR A 14 2.633 -12.242 -0.860 1.00 10.38 C ATOM 228 OG1 THR A 14 2.454 -13.171 0.146 1.00 16.30 O ATOM 229 CG2 THR A 14 4.186 -12.089 -0.921 1.00 11.66 C ATOM 0 H THR A 14 0.173 -11.773 -0.333 1.00 9.39 H new ATOM 0 HA THR A 14 2.588 -10.436 0.269 1.00 9.63 H new ATOM 0 HB THR A 14 2.146 -12.575 -1.777 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.862 -14.022 -0.118 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.639 -13.057 -1.137 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.451 -11.381 -1.706 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.553 -11.722 0.037 1.00 11.66 H new ATOM 237 N LEU A 15 2.922 -8.980 -1.960 1.00 8.29 N ATOM 238 CA LEU A 15 3.023 -8.187 -3.161 1.00 9.03 C ATOM 239 C LEU A 15 4.489 -8.248 -3.641 1.00 8.59 C ATOM 240 O LEU A 15 5.425 -8.452 -2.908 1.00 7.79 O ATOM 241 CB LEU A 15 2.658 -6.661 -2.982 1.00 11.08 C ATOM 242 CG LEU A 15 1.264 -6.358 -2.504 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.008 -4.841 -2.791 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.156 -7.089 -3.310 1.00 15.27 C ATOM 0 H LEU A 15 3.498 -8.633 -1.193 1.00 8.29 H new ATOM 0 HA LEU A 15 2.304 -8.605 -3.865 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.364 -6.221 -2.277 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.808 -6.159 -3.938 1.00 11.08 H new ATOM 0 HG LEU A 15 1.213 -6.663 -1.459 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.005 -4.572 -2.460 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.741 -4.240 -2.253 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.100 -4.653 -3.861 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.822 -6.822 -2.909 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.212 -6.792 -4.357 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.299 -8.167 -3.231 1.00 15.27 H new ATOM 256 N GLU A 16 4.707 -7.978 -4.911 1.00 11.04 N ATOM 257 CA GLU A 16 6.035 -7.895 -5.490 1.00 11.50 C ATOM 258 C GLU A 16 6.145 -6.491 -6.003 1.00 10.13 C ATOM 259 O GLU A 16 5.307 -6.033 -6.691 1.00 9.83 O ATOM 260 CB GLU A 16 6.064 -8.897 -6.700 1.00 17.22 C ATOM 261 CG GLU A 16 7.495 -9.087 -7.246 1.00 23.33 C ATOM 262 CD GLU A 16 7.594 -10.006 -8.455 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.282 -9.651 -9.603 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.054 -11.209 -8.256 1.00 28.90 O ATOM 0 H GLU A 16 3.957 -7.807 -5.581 1.00 11.04 H new ATOM 0 HA GLU A 16 6.839 -8.131 -4.793 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.663 -9.860 -6.385 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.417 -8.527 -7.495 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.900 -8.111 -7.513 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.124 -9.486 -6.450 1.00 23.33 H new ATOM 271 N VAL A 17 7.251 -5.827 -5.639 1.00 8.99 N ATOM 272 CA VAL A 17 7.419 -4.409 -5.876 1.00 8.85 C ATOM 273 C VAL A 17 8.887 -4.170 -6.195 1.00 8.04 C ATOM 274 O VAL A 17 9.758 -4.954 -5.853 1.00 8.99 O ATOM 275 CB VAL A 17 7.094 -3.563 -4.751 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.557 -3.669 -4.461 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.891 -3.920 -3.480 1.00 10.54 C ATOM 0 H VAL A 17 8.045 -6.267 -5.174 1.00 8.99 H new ATOM 0 HA VAL A 17 6.733 -4.148 -6.682 1.00 8.85 H new ATOM 0 HB VAL A 17 7.369 -2.542 -5.017 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.302 -3.033 -3.613 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.998 -3.344 -5.339 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.301 -4.703 -4.230 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.603 -3.250 -2.670 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.676 -4.949 -3.193 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.958 -3.813 -3.677 1.00 10.54 H new ATOM 287 N GLU A 18 9.259 -2.973 -6.739 1.00 7.29 N ATOM 288 CA GLU A 18 10.545 -2.498 -6.941 1.00 7.08 C ATOM 289 C GLU A 18 10.687 -1.264 -6.082 1.00 6.45 C ATOM 290 O GLU A 18 9.626 -0.684 -5.846 1.00 5.28 O ATOM 291 CB GLU A 18 10.766 -2.138 -8.433 1.00 10.28 C ATOM 292 CG GLU A 18 12.260 -2.228 -8.846 1.00 12.65 C ATOM 293 CD GLU A 18 12.910 -3.559 -8.847 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.478 -4.435 -9.596 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.936 -3.754 -8.071 1.00 14.33 O ATOM 0 H GLU A 18 8.558 -2.302 -7.055 1.00 7.29 H new ATOM 0 HA GLU A 18 11.285 -3.254 -6.676 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.178 -2.810 -9.058 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.400 -1.128 -8.619 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.353 -1.812 -9.849 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.829 -1.581 -8.178 1.00 12.65 H new ATOM 302 N PRO A 19 11.850 -0.861 -5.483 1.00 7.24 N ATOM 303 CA PRO A 19 11.885 0.387 -4.708 1.00 7.07 C ATOM 304 C PRO A 19 11.450 1.622 -5.433 1.00 6.65 C ATOM 305 O PRO A 19 11.145 2.570 -4.751 1.00 6.37 O ATOM 306 CB PRO A 19 13.365 0.415 -4.297 1.00 7.61 C ATOM 307 CG PRO A 19 13.913 -0.998 -4.336 1.00 8.16 C ATOM 308 CD PRO A 19 13.130 -1.564 -5.481 1.00 7.49 C ATOM 0 HA PRO A 19 11.169 0.394 -3.886 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.931 1.057 -4.971 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.470 0.832 -3.296 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.988 -1.021 -4.517 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.735 -1.537 -3.406 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.657 -1.417 -6.424 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.985 -2.638 -5.361 1.00 7.49 H new ATOM 316 N SER A 20 11.441 1.675 -6.781 1.00 6.80 N ATOM 317 CA SER A 20 11.159 2.826 -7.665 1.00 6.28 C ATOM 318 C SER A 20 9.705 2.934 -7.988 1.00 8.45 C ATOM 319 O SER A 20 9.275 3.913 -8.604 1.00 7.26 O ATOM 320 CB SER A 20 11.988 2.800 -8.979 1.00 8.57 C ATOM 321 OG SER A 20 12.007 1.533 -9.617 1.00 11.13 O ATOM 0 H SER A 20 11.649 0.839 -7.328 1.00 6.80 H new ATOM 0 HA SER A 20 11.463 3.707 -7.100 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.581 3.538 -9.670 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.012 3.101 -8.758 1.00 8.57 H new ATOM 0 HG SER A 20 12.543 1.587 -10.436 1.00 11.13 H new ATOM 327 N ASP A 21 8.848 2.135 -7.410 1.00 7.50 N ATOM 328 CA ASP A 21 7.429 2.210 -7.578 1.00 7.70 C ATOM 329 C ASP A 21 6.822 3.260 -6.649 1.00 7.08 C ATOM 330 O ASP A 21 7.105 3.324 -5.440 1.00 8.11 O ATOM 331 CB ASP A 21 6.797 0.795 -7.393 1.00 11.00 C ATOM 332 CG ASP A 21 7.210 -0.194 -8.433 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.483 0.227 -9.570 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.225 -1.385 -8.144 1.00 14.36 O ATOM 0 H ASP A 21 9.137 1.384 -6.783 1.00 7.50 H new ATOM 0 HA ASP A 21 7.201 2.537 -8.593 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.072 0.411 -6.411 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.711 0.889 -7.406 1.00 11.00 H new ATOM 339 N THR A 22 5.842 4.046 -7.124 1.00 5.37 N ATOM 340 CA THR A 22 5.169 4.955 -6.244 1.00 6.01 C ATOM 341 C THR A 22 4.066 4.270 -5.448 1.00 8.01 C ATOM 342 O THR A 22 3.732 3.137 -5.820 1.00 8.11 O ATOM 343 CB THR A 22 4.508 6.115 -6.968 1.00 8.92 C ATOM 344 OG1 THR A 22 3.658 5.632 -8.047 1.00 10.22 O ATOM 345 CG2 THR A 22 5.532 7.065 -7.575 1.00 9.65 C ATOM 0 H THR A 22 5.519 4.057 -8.092 1.00 5.37 H new ATOM 0 HA THR A 22 5.961 5.323 -5.592 1.00 6.01 H new ATOM 0 HB THR A 22 3.918 6.646 -6.221 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.240 6.394 -8.500 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.016 7.880 -8.083 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.164 7.472 -6.785 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.150 6.524 -8.292 1.00 9.65 H new ATOM 353 N ILE A 23 3.581 4.890 -4.410 1.00 8.32 N ATOM 354 CA ILE A 23 2.561 4.275 -3.543 1.00 9.92 C ATOM 355 C ILE A 23 1.292 3.901 -4.352 1.00 10.01 C ATOM 356 O ILE A 23 0.607 2.901 -4.153 1.00 8.71 O ATOM 357 CB ILE A 23 2.333 5.063 -2.209 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.603 5.486 -1.487 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.304 4.206 -1.328 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.593 4.349 -1.223 1.00 12.30 C ATOM 0 H ILE A 23 3.864 5.828 -4.125 1.00 8.32 H new ATOM 0 HA ILE A 23 2.942 3.321 -3.180 1.00 9.92 H new ATOM 0 HB ILE A 23 1.898 6.038 -2.430 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.102 6.255 -2.077 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.330 5.941 -0.535 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.116 4.720 -0.386 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.367 4.091 -1.872 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.729 3.223 -1.126 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.468 4.741 -0.705 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.117 3.588 -0.605 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.900 3.907 -2.171 1.00 12.30 H new ATOM 372 N GLU A 24 0.962 4.712 -5.402 1.00 9.54 N ATOM 373 CA GLU A 24 -0.150 4.428 -6.299 1.00 11.81 C ATOM 374 C GLU A 24 -0.061 3.116 -6.984 1.00 11.14 C ATOM 375 O GLU A 24 -0.994 2.325 -7.100 1.00 10.62 O ATOM 376 CB GLU A 24 -0.286 5.573 -7.282 1.00 19.24 C ATOM 377 CG GLU A 24 -1.533 5.597 -8.161 1.00 27.76 C ATOM 378 CD GLU A 24 -1.637 6.874 -9.058 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.859 7.850 -8.915 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.508 6.798 -9.998 1.00 34.80 O ATOM 0 H GLU A 24 1.468 5.568 -5.630 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.051 4.347 -5.691 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.252 6.506 -6.720 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.587 5.562 -7.935 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.536 4.713 -8.799 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.417 5.535 -7.526 1.00 27.76 H new ATOM 387 N ASN A 25 1.185 2.831 -7.491 1.00 9.43 N ATOM 388 CA ASN A 25 1.533 1.566 -8.164 1.00 10.96 C ATOM 389 C ASN A 25 1.276 0.367 -7.220 1.00 9.68 C ATOM 390 O ASN A 25 0.728 -0.641 -7.603 1.00 9.33 O ATOM 391 CB ASN A 25 3.028 1.460 -8.640 1.00 16.78 C ATOM 392 CG ASN A 25 3.538 2.597 -9.511 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.760 2.803 -9.602 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.599 3.311 -10.187 1.00 24.70 N ATOM 0 H ASN A 25 1.965 3.485 -7.435 1.00 9.43 H new ATOM 0 HA ASN A 25 0.897 1.548 -9.049 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.664 1.393 -7.758 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.147 0.527 -9.191 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.884 4.065 -10.812 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.610 3.093 -10.069 1.00 24.70 H new ATOM 401 N VAL A 26 1.555 0.473 -5.950 1.00 6.52 N ATOM 402 CA VAL A 26 1.218 -0.528 -4.906 1.00 5.53 C ATOM 403 C VAL A 26 -0.283 -0.715 -4.778 1.00 4.42 C ATOM 404 O VAL A 26 -0.726 -1.861 -4.792 1.00 3.40 O ATOM 405 CB VAL A 26 1.838 -0.169 -3.598 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.579 -1.225 -2.533 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.372 -0.106 -3.846 1.00 8.12 C ATOM 0 H VAL A 26 2.044 1.284 -5.571 1.00 6.52 H new ATOM 0 HA VAL A 26 1.636 -1.485 -5.218 1.00 5.53 H new ATOM 0 HB VAL A 26 1.417 0.772 -3.244 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.049 -0.921 -1.598 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.505 -1.333 -2.381 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.997 -2.178 -2.856 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.880 0.154 -2.918 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.725 -1.077 -4.193 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.588 0.649 -4.602 1.00 8.12 H new ATOM 417 N LYS A 27 -1.101 0.332 -4.816 1.00 2.64 N ATOM 418 CA LYS A 27 -2.516 0.208 -4.842 1.00 4.14 C ATOM 419 C LYS A 27 -3.018 -0.642 -6.003 1.00 5.58 C ATOM 420 O LYS A 27 -3.985 -1.381 -5.821 1.00 4.11 O ATOM 421 CB LYS A 27 -3.344 1.537 -4.852 1.00 3.97 C ATOM 422 CG LYS A 27 -2.898 2.323 -3.620 1.00 7.45 C ATOM 423 CD LYS A 27 -3.687 3.608 -3.690 1.00 9.02 C ATOM 424 CE LYS A 27 -3.631 4.286 -2.342 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.291 5.628 -2.441 1.00 15.47 N ATOM 0 H LYS A 27 -0.773 1.298 -4.829 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.693 -0.276 -3.882 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.159 2.104 -5.764 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.414 1.330 -4.816 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.110 1.776 -2.701 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.825 2.514 -3.637 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.276 4.262 -4.459 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.721 3.402 -3.966 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.133 3.674 -1.592 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.596 4.399 -2.020 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.960 6.236 -1.664 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.049 6.068 -3.352 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.323 5.513 -2.376 1.00 15.47 H new ATOM 439 N ALA A 28 -2.512 -0.519 -7.273 1.00 6.61 N ATOM 440 CA ALA A 28 -2.919 -1.322 -8.405 1.00 7.74 C ATOM 441 C ALA A 28 -2.624 -2.796 -8.244 1.00 9.17 C ATOM 442 O ALA A 28 -3.317 -3.679 -8.709 1.00 11.45 O ATOM 443 CB ALA A 28 -2.219 -0.835 -9.684 1.00 7.68 C ATOM 0 H ALA A 28 -1.795 0.166 -7.510 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.000 -1.203 -8.471 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.535 -1.449 -10.528 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.486 0.205 -9.871 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.139 -0.916 -9.561 1.00 7.68 H new ATOM 449 N LYS A 29 -1.497 -3.083 -7.554 1.00 8.96 N ATOM 450 CA LYS A 29 -1.137 -4.442 -7.258 1.00 7.90 C ATOM 451 C LYS A 29 -2.117 -5.145 -6.270 1.00 6.92 C ATOM 452 O LYS A 29 -2.555 -6.318 -6.484 1.00 6.87 O ATOM 453 CB LYS A 29 0.317 -4.567 -6.679 1.00 10.28 C ATOM 454 CG LYS A 29 1.421 -4.207 -7.778 1.00 14.94 C ATOM 455 CD LYS A 29 2.742 -3.958 -7.120 1.00 19.69 C ATOM 456 CE LYS A 29 3.879 -3.547 -8.057 1.00 22.63 C ATOM 457 NZ LYS A 29 4.300 -4.599 -8.931 1.00 24.98 N ATOM 0 H LYS A 29 -0.843 -2.383 -7.205 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.194 -4.945 -8.223 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.426 -3.903 -5.822 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.480 -5.583 -6.318 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.511 -5.023 -8.495 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.113 -3.324 -8.338 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.613 -3.178 -6.370 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.040 -4.863 -6.590 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.558 -2.694 -8.655 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.730 -3.216 -7.461 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.986 -4.226 -9.618 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.744 -5.356 -8.374 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.476 -4.980 -9.438 1.00 24.98 H new ATOM 471 N ILE A 30 -2.648 -4.397 -5.280 1.00 4.57 N ATOM 472 CA ILE A 30 -3.735 -4.668 -4.388 1.00 5.58 C ATOM 473 C ILE A 30 -5.040 -4.832 -5.126 1.00 7.26 C ATOM 474 O ILE A 30 -5.843 -5.735 -4.875 1.00 9.46 O ATOM 475 CB ILE A 30 -3.825 -3.662 -3.267 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.556 -3.629 -2.440 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.993 -4.091 -2.307 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.454 -2.479 -1.469 1.00 2.00 C ATOM 0 H ILE A 30 -2.255 -3.476 -5.085 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.522 -5.626 -3.914 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.990 -2.680 -3.710 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.480 -4.563 -1.883 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.702 -3.591 -3.116 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.074 -3.375 -1.489 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.931 -4.114 -2.863 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.786 -5.082 -1.902 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.511 -2.544 -0.925 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.493 -1.537 -2.016 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.284 -2.524 -0.763 1.00 2.00 H new ATOM 490 N GLN A 31 -5.228 -4.018 -6.138 1.00 7.06 N ATOM 491 CA GLN A 31 -6.366 -4.113 -7.031 1.00 8.67 C ATOM 492 C GLN A 31 -6.440 -5.516 -7.737 1.00 10.90 C ATOM 493 O GLN A 31 -7.473 -6.206 -7.807 1.00 9.63 O ATOM 494 CB GLN A 31 -6.384 -2.979 -8.071 1.00 9.12 C ATOM 495 CG GLN A 31 -7.687 -3.014 -8.921 1.00 10.76 C ATOM 496 CD GLN A 31 -7.859 -1.711 -9.705 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.921 -0.971 -9.993 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.131 -1.407 -10.090 1.00 14.76 N ATOM 0 H GLN A 31 -4.587 -3.259 -6.370 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.254 -4.003 -6.409 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.303 -2.017 -7.565 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.517 -3.069 -8.726 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.654 -3.857 -9.611 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.547 -3.168 -8.270 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.901 -2.030 -9.845 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.313 -0.557 -10.624 1.00 14.76 H new ATOM 507 N ASP A 32 -5.240 -5.979 -8.212 1.00 10.93 N ATOM 508 CA ASP A 32 -5.095 -7.255 -8.870 1.00 14.01 C ATOM 509 C ASP A 32 -5.379 -8.358 -7.787 1.00 14.04 C ATOM 510 O ASP A 32 -5.980 -9.307 -8.195 1.00 13.39 O ATOM 511 CB ASP A 32 -3.679 -7.283 -9.392 1.00 18.01 C ATOM 512 CG ASP A 32 -3.575 -8.282 -10.515 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.022 -7.920 -11.640 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.164 -9.447 -10.318 1.00 25.17 O ATOM 0 H ASP A 32 -4.368 -5.455 -8.134 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.779 -7.426 -9.702 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.391 -6.293 -9.745 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.990 -7.549 -8.590 1.00 18.01 H new ATOM 519 N LYS A 33 -4.927 -8.263 -6.507 1.00 14.22 N ATOM 520 CA LYS A 33 -5.123 -9.321 -5.575 1.00 14.00 C ATOM 521 C LYS A 33 -6.574 -9.377 -4.991 1.00 12.37 C ATOM 522 O LYS A 33 -7.185 -10.455 -4.929 1.00 12.17 O ATOM 523 CB LYS A 33 -4.117 -9.057 -4.423 1.00 18.62 C ATOM 524 CG LYS A 33 -2.674 -9.171 -4.849 1.00 24.00 C ATOM 525 CD LYS A 33 -2.188 -10.692 -4.973 1.00 27.61 C ATOM 526 CE LYS A 33 -0.747 -10.716 -5.466 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.438 -12.127 -5.873 1.00 30.06 N ATOM 0 H LYS A 33 -4.431 -7.454 -6.133 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.969 -10.276 -6.077 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.291 -8.059 -4.020 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.307 -9.764 -3.616 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.542 -8.672 -5.809 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.044 -8.649 -4.129 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.263 -11.191 -4.007 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.831 -11.237 -5.664 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.618 -10.036 -6.308 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.067 -10.385 -4.681 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.542 -12.182 -6.217 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.554 -12.758 -5.054 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.088 -12.420 -6.631 1.00 30.06 H new ATOM 541 N GLU A 34 -7.155 -8.203 -4.557 1.00 10.11 N ATOM 542 CA GLU A 34 -8.352 -8.058 -3.699 1.00 10.07 C ATOM 543 C GLU A 34 -9.423 -7.171 -4.284 1.00 9.32 C ATOM 544 O GLU A 34 -10.500 -6.995 -3.687 1.00 11.61 O ATOM 545 CB GLU A 34 -7.946 -7.366 -2.310 1.00 14.77 C ATOM 546 CG GLU A 34 -7.061 -8.238 -1.415 1.00 18.75 C ATOM 547 CD GLU A 34 -7.738 -9.542 -1.059 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.603 -9.470 -0.141 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.340 -10.606 -1.585 1.00 25.19 O ATOM 0 H GLU A 34 -6.768 -7.297 -4.820 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.739 -9.071 -3.587 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.424 -6.432 -2.520 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.854 -7.108 -1.765 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.120 -8.444 -1.924 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.818 -7.693 -0.503 1.00 18.75 H new ATOM 556 N GLY A 35 -9.271 -6.722 -5.523 1.00 7.22 N ATOM 557 CA GLY A 35 -10.318 -6.112 -6.309 1.00 6.29 C ATOM 558 C GLY A 35 -10.672 -4.703 -5.882 1.00 6.93 C ATOM 559 O GLY A 35 -11.532 -4.103 -6.491 1.00 7.41 O ATOM 0 H GLY A 35 -8.382 -6.778 -6.019 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.010 -6.097 -7.355 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.211 -6.733 -6.249 1.00 6.29 H new ATOM 563 N ILE A 36 -10.131 -4.141 -4.818 1.00 5.86 N ATOM 564 CA ILE A 36 -10.418 -2.798 -4.405 1.00 6.07 C ATOM 565 C ILE A 36 -9.896 -1.787 -5.446 1.00 6.36 C ATOM 566 O ILE A 36 -8.780 -1.892 -5.830 1.00 6.18 O ATOM 567 CB ILE A 36 -9.738 -2.512 -3.035 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.918 -3.609 -2.048 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.204 -1.161 -2.487 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.587 -3.270 -0.591 1.00 9.49 C ATOM 0 H ILE A 36 -9.468 -4.622 -4.211 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.499 -2.690 -4.314 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.663 -2.463 -3.211 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.954 -3.945 -2.095 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.296 -4.450 -2.354 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.722 -0.971 -1.528 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.937 -0.372 -3.190 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.286 -1.176 -2.352 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.756 -4.147 0.034 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.543 -2.967 -0.516 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.226 -2.454 -0.253 1.00 9.49 H new ATOM 582 N PRO A 37 -10.670 -0.745 -5.913 1.00 8.65 N ATOM 583 CA PRO A 37 -10.157 0.318 -6.749 1.00 9.18 C ATOM 584 C PRO A 37 -9.246 1.239 -5.910 1.00 9.85 C ATOM 585 O PRO A 37 -9.544 1.414 -4.691 1.00 8.51 O ATOM 586 CB PRO A 37 -11.453 1.075 -7.205 1.00 11.42 C ATOM 587 CG PRO A 37 -12.515 0.854 -6.145 1.00 9.27 C ATOM 588 CD PRO A 37 -12.117 -0.568 -5.664 1.00 8.33 C ATOM 0 HA PRO A 37 -9.559 -0.031 -7.591 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.251 2.139 -7.327 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.794 0.702 -8.171 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.467 1.594 -5.346 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.525 0.889 -6.552 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.339 -0.688 -4.604 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.691 -1.326 -6.197 1.00 8.33 H new ATOM 596 N PRO A 38 -8.137 1.754 -6.403 1.00 8.71 N ATOM 597 CA PRO A 38 -7.259 2.688 -5.673 1.00 9.08 C ATOM 598 C PRO A 38 -7.811 4.006 -5.256 1.00 9.28 C ATOM 599 O PRO A 38 -7.185 4.666 -4.421 1.00 6.50 O ATOM 600 CB PRO A 38 -6.071 2.930 -6.722 1.00 10.31 C ATOM 601 CG PRO A 38 -6.024 1.648 -7.558 1.00 10.81 C ATOM 602 CD PRO A 38 -7.497 1.193 -7.606 1.00 12.00 C ATOM 0 HA PRO A 38 -7.010 2.241 -4.710 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.265 3.803 -7.346 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.123 3.106 -6.213 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.629 1.835 -8.557 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.386 0.893 -7.099 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.987 1.552 -8.511 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.569 0.105 -7.615 1.00 12.00 H new ATOM 610 N ASP A 39 -9.038 4.415 -5.742 1.00 11.20 N ATOM 611 CA ASP A 39 -9.809 5.507 -5.274 1.00 14.96 C ATOM 612 C ASP A 39 -10.497 5.168 -3.957 1.00 13.99 C ATOM 613 O ASP A 39 -10.824 6.094 -3.190 1.00 13.75 O ATOM 614 CB ASP A 39 -10.751 5.878 -6.377 1.00 24.16 C ATOM 615 CG ASP A 39 -10.041 6.484 -7.550 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.217 7.405 -7.383 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.401 6.079 -8.700 1.00 34.22 O ATOM 0 H ASP A 39 -9.493 3.928 -6.514 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.188 6.371 -5.039 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.294 4.991 -6.702 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.491 6.583 -5.998 1.00 24.16 H new ATOM 622 N GLN A 40 -10.585 3.875 -3.582 1.00 11.60 N ATOM 623 CA GLN A 40 -11.082 3.506 -2.270 1.00 10.76 C ATOM 624 C GLN A 40 -10.024 2.952 -1.333 1.00 8.01 C ATOM 625 O GLN A 40 -10.402 2.388 -0.340 1.00 8.96 O ATOM 626 CB GLN A 40 -12.216 2.429 -2.525 1.00 11.14 C ATOM 627 CG GLN A 40 -13.453 2.984 -3.265 1.00 14.85 C ATOM 628 CD GLN A 40 -14.567 1.996 -3.254 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.451 0.852 -2.792 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.695 2.429 -3.855 1.00 18.16 N ATOM 0 H GLN A 40 -10.318 3.087 -4.173 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.448 4.399 -1.764 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.798 1.606 -3.104 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.533 2.016 -1.567 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.779 3.911 -2.792 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.187 3.227 -4.294 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.745 3.380 -4.221 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.497 1.805 -3.943 1.00 18.16 H new ATOM 639 N GLN A 41 -8.689 3.124 -1.589 1.00 6.52 N ATOM 640 CA GLN A 41 -7.584 2.504 -0.793 1.00 3.87 C ATOM 641 C GLN A 41 -6.760 3.593 -0.156 1.00 4.79 C ATOM 642 O GLN A 41 -6.389 4.498 -0.845 1.00 6.34 O ATOM 643 CB GLN A 41 -6.567 1.725 -1.715 1.00 4.20 C ATOM 644 CG GLN A 41 -7.062 0.433 -2.232 1.00 3.20 C ATOM 645 CD GLN A 41 -5.983 -0.300 -2.954 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.897 -0.472 -2.450 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.254 -0.850 -4.134 1.00 7.13 N ATOM 0 H GLN A 41 -8.350 3.701 -2.359 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.055 1.835 -0.072 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.304 2.361 -2.560 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.651 1.548 -1.152 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.431 -0.176 -1.407 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.903 0.604 -2.904 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.168 -0.709 -4.565 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.548 -1.413 -4.608 1.00 7.13 H new ATOM 656 N ARG A 42 -6.375 3.405 1.095 1.00 5.73 N ATOM 657 CA ARG A 42 -5.376 4.248 1.751 1.00 6.97 C ATOM 658 C ARG A 42 -4.348 3.343 2.409 1.00 7.15 C ATOM 659 O ARG A 42 -4.732 2.387 2.993 1.00 7.33 O ATOM 660 CB ARG A 42 -5.910 5.280 2.805 1.00 13.23 C ATOM 661 CG ARG A 42 -6.239 6.622 2.195 1.00 21.27 C ATOM 662 CD ARG A 42 -6.240 7.735 3.286 1.00 26.14 C ATOM 663 NE ARG A 42 -6.445 9.055 2.548 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.615 9.700 2.551 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.699 9.274 3.198 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.579 10.948 2.048 1.00 36.39 N ATOM 0 H ARG A 42 -6.744 2.663 1.690 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.957 4.869 0.959 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.802 4.875 3.284 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.162 5.415 3.586 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.510 6.864 1.421 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.215 6.578 1.711 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.035 7.567 4.012 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.300 7.740 3.838 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.662 9.459 2.035 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.666 8.406 3.733 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.562 9.816 3.159 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.700 11.333 1.701 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.430 11.509 2.014 1.00 36.39 H new ATOM 680 N LEU A 43 -3.061 3.679 2.275 1.00 4.65 N ATOM 681 CA LEU A 43 -1.968 2.875 2.711 1.00 3.51 C ATOM 682 C LEU A 43 -1.247 3.588 3.807 1.00 5.56 C ATOM 683 O LEU A 43 -1.200 4.807 3.843 1.00 4.19 O ATOM 684 CB LEU A 43 -1.053 2.591 1.514 1.00 3.74 C ATOM 685 CG LEU A 43 -1.603 1.506 0.524 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.629 1.411 -0.694 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.715 0.139 1.261 1.00 6.41 C ATOM 0 H LEU A 43 -2.766 4.554 1.842 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.317 1.920 3.104 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.894 3.519 0.965 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.080 2.268 1.884 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.596 1.778 0.166 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.995 0.661 -1.395 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.576 2.378 -1.193 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.364 1.128 -0.345 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.097 -0.615 0.573 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.731 -0.163 1.620 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.395 0.236 2.107 1.00 6.41 H new ATOM 699 N ILE A 44 -0.804 2.748 4.746 1.00 4.58 N ATOM 700 CA ILE A 44 -0.373 3.219 6.012 1.00 5.55 C ATOM 701 C ILE A 44 0.901 2.409 6.225 1.00 5.46 C ATOM 702 O ILE A 44 0.963 1.228 5.769 1.00 6.04 O ATOM 703 CB ILE A 44 -1.414 3.008 7.133 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.875 3.441 6.742 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.880 3.646 8.449 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.998 4.946 6.589 1.00 13.90 C ATOM 0 H ILE A 44 -0.744 1.737 4.627 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.219 4.298 6.041 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.529 1.937 7.301 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.159 2.957 5.808 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.572 3.096 7.505 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.610 3.501 9.246 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.061 3.171 8.728 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.717 4.713 8.296 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.023 5.202 6.319 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.740 5.430 7.531 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.320 5.289 5.807 1.00 13.90 H new ATOM 718 N PHE A 45 1.951 2.964 6.878 1.00 6.75 N ATOM 719 CA PHE A 45 3.114 2.300 7.259 1.00 4.70 C ATOM 720 C PHE A 45 3.710 2.983 8.440 1.00 6.34 C ATOM 721 O PHE A 45 3.675 4.185 8.538 1.00 5.45 O ATOM 722 CB PHE A 45 4.107 2.245 6.048 1.00 5.51 C ATOM 723 CG PHE A 45 5.414 1.678 6.414 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.446 0.257 6.501 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.564 2.440 6.661 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.628 -0.343 6.970 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.766 1.788 6.934 1.00 6.64 C ATOM 728 CZ PHE A 45 7.762 0.393 7.094 1.00 6.84 C ATOM 0 H PHE A 45 1.959 3.948 7.145 1.00 6.75 H new ATOM 0 HA PHE A 45 2.887 1.274 7.548 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.667 1.648 5.249 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.249 3.251 5.653 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.592 -0.339 6.217 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.520 3.519 6.640 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.634 -1.391 7.232 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.686 2.347 7.021 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.690 -0.110 7.323 1.00 6.84 H new ATOM 738 N ALA A 46 4.222 2.251 9.507 1.00 6.53 N ATOM 739 CA ALA A 46 4.952 2.791 10.632 1.00 7.15 C ATOM 740 C ALA A 46 4.268 3.948 11.414 1.00 9.00 C ATOM 741 O ALA A 46 4.902 4.903 11.923 1.00 11.15 O ATOM 742 CB ALA A 46 6.387 3.181 10.255 1.00 8.99 C ATOM 0 H ALA A 46 4.110 1.239 9.567 1.00 6.53 H new ATOM 0 HA ALA A 46 4.965 1.954 11.330 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.897 3.582 11.131 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.921 2.301 9.895 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.364 3.938 9.471 1.00 8.99 H new ATOM 748 N GLY A 47 2.923 3.907 11.552 1.00 9.35 N ATOM 749 CA GLY A 47 2.164 4.985 12.068 1.00 11.68 C ATOM 750 C GLY A 47 1.740 6.099 11.161 1.00 11.14 C ATOM 751 O GLY A 47 0.977 7.001 11.614 1.00 13.93 O ATOM 0 H GLY A 47 2.360 3.096 11.294 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.261 4.564 12.510 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.740 5.429 12.880 1.00 11.68 H new ATOM 755 N LYS A 48 2.157 6.024 9.884 1.00 10.47 N ATOM 756 CA LYS A 48 2.103 7.157 8.929 1.00 8.82 C ATOM 757 C LYS A 48 1.308 6.879 7.730 1.00 7.68 C ATOM 758 O LYS A 48 1.435 5.821 7.115 1.00 6.47 O ATOM 759 CB LYS A 48 3.532 7.541 8.445 1.00 9.74 C ATOM 760 CG LYS A 48 4.290 8.202 9.510 1.00 14.14 C ATOM 761 CD LYS A 48 5.809 8.446 9.243 1.00 16.32 C ATOM 762 CE LYS A 48 6.592 7.235 8.778 1.00 20.04 C ATOM 763 NZ LYS A 48 8.022 7.690 8.497 1.00 23.92 N ATOM 0 H LYS A 48 2.544 5.172 9.479 1.00 10.47 H new ATOM 0 HA LYS A 48 1.631 7.967 9.485 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.062 6.646 8.119 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.461 8.202 7.581 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.822 9.165 9.714 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.196 7.604 10.416 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.907 9.230 8.492 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.265 8.822 10.159 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.581 6.456 9.540 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.142 6.810 7.881 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.587 6.879 8.175 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.015 8.422 7.758 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.440 8.079 9.366 1.00 23.92 H new ATOM 777 N GLN A 49 0.426 7.775 7.368 1.00 8.89 N ATOM 778 CA GLN A 49 -0.308 7.573 6.137 1.00 7.18 C ATOM 779 C GLN A 49 0.578 8.020 4.953 1.00 8.23 C ATOM 780 O GLN A 49 1.526 8.835 5.138 1.00 9.70 O ATOM 781 CB GLN A 49 -1.638 8.331 6.061 1.00 11.67 C ATOM 782 CG GLN A 49 -1.477 9.913 6.085 1.00 15.82 C ATOM 783 CD GLN A 49 -2.789 10.674 5.882 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.158 11.435 6.756 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.460 10.634 4.697 1.00 20.67 N ATOM 0 H GLN A 49 0.200 8.625 7.885 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.553 6.512 6.097 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.159 8.042 5.148 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.267 8.026 6.897 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.041 10.209 7.039 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.773 10.208 5.307 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.156 9.998 3.960 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.267 11.240 4.547 1.00 20.67 H new ATOM 794 N LEU A 50 0.417 7.425 3.775 1.00 6.51 N ATOM 795 CA LEU A 50 1.360 7.585 2.673 1.00 7.41 C ATOM 796 C LEU A 50 0.722 8.256 1.398 1.00 8.27 C ATOM 797 O LEU A 50 -0.465 8.097 1.072 1.00 8.34 O ATOM 798 CB LEU A 50 1.978 6.297 2.213 1.00 7.13 C ATOM 799 CG LEU A 50 2.540 5.355 3.316 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.067 4.040 2.708 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.643 6.006 4.200 1.00 9.11 C ATOM 0 H LEU A 50 -0.373 6.817 3.557 1.00 6.51 H new ATOM 0 HA LEU A 50 2.124 8.233 3.104 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.230 5.745 1.644 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.789 6.536 1.525 1.00 7.13 H new ATOM 0 HG LEU A 50 1.695 5.146 3.972 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.454 3.401 3.502 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.255 3.527 2.192 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.865 4.261 1.999 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.984 5.287 4.945 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.483 6.304 3.573 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.236 6.883 4.703 1.00 9.11 H new ATOM 813 N GLU A 51 1.548 9.084 0.731 1.00 9.43 N ATOM 814 CA GLU A 51 1.119 9.784 -0.455 1.00 11.90 C ATOM 815 C GLU A 51 1.230 9.005 -1.804 1.00 11.49 C ATOM 816 O GLU A 51 2.260 8.457 -2.114 1.00 9.88 O ATOM 817 CB GLU A 51 1.920 11.093 -0.581 1.00 16.56 C ATOM 818 CG GLU A 51 1.755 12.092 0.618 1.00 26.06 C ATOM 819 CD GLU A 51 0.301 12.514 0.876 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.307 12.959 -0.101 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.194 12.425 2.029 1.00 33.44 O ATOM 0 H GLU A 51 2.512 9.272 1.007 1.00 9.43 H new ATOM 0 HA GLU A 51 0.051 9.945 -0.307 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.976 10.846 -0.685 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.619 11.598 -1.499 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.156 11.631 1.521 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.353 12.982 0.422 1.00 26.06 H new ATOM 828 N ASP A 52 0.191 9.088 -2.645 1.00 12.71 N ATOM 829 CA ASP A 52 0.141 8.365 -3.856 1.00 16.56 C ATOM 830 C ASP A 52 1.293 8.581 -4.805 1.00 15.83 C ATOM 831 O ASP A 52 1.755 7.563 -5.345 1.00 17.21 O ATOM 832 CB ASP A 52 -1.192 8.667 -4.555 1.00 21.05 C ATOM 833 CG ASP A 52 -2.457 8.384 -3.727 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.734 9.147 -2.787 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.258 7.484 -4.083 1.00 25.82 O ATOM 0 H ASP A 52 -0.628 9.671 -2.474 1.00 12.71 H new ATOM 0 HA ASP A 52 0.226 7.315 -3.577 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.198 9.717 -4.847 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.241 8.080 -5.472 1.00 21.05 H new ATOM 840 N GLY A 53 1.725 9.830 -5.024 1.00 15.00 N ATOM 841 CA GLY A 53 2.858 10.120 -5.911 1.00 11.77 C ATOM 842 C GLY A 53 4.265 9.915 -5.272 1.00 11.10 C ATOM 843 O GLY A 53 5.274 10.098 -5.941 1.00 11.25 O ATOM 0 H GLY A 53 1.306 10.657 -4.598 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.781 9.485 -6.794 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.778 11.152 -6.253 1.00 11.77 H new ATOM 847 N ARG A 54 4.377 9.521 -3.999 1.00 8.53 N ATOM 848 CA ARG A 54 5.660 9.394 -3.341 1.00 9.05 C ATOM 849 C ARG A 54 6.094 7.918 -3.604 1.00 8.96 C ATOM 850 O ARG A 54 5.280 7.095 -3.977 1.00 11.60 O ATOM 851 CB ARG A 54 5.515 9.673 -1.785 1.00 7.97 C ATOM 852 CG ARG A 54 6.809 10.018 -1.050 1.00 9.62 C ATOM 853 CD ARG A 54 7.575 11.231 -1.543 1.00 12.20 C ATOM 854 NE ARG A 54 6.572 12.353 -1.739 1.00 18.23 N ATOM 855 CZ ARG A 54 6.188 13.145 -0.736 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.367 12.893 0.545 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.380 14.138 -1.167 1.00 23.38 N ATOM 0 H ARG A 54 3.580 9.285 -3.408 1.00 8.53 H new ATOM 0 HA ARG A 54 6.393 10.109 -3.715 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.810 10.493 -1.646 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.076 8.792 -1.316 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.571 10.172 0.002 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.471 9.154 -1.104 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.339 11.521 -0.822 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.088 11.007 -2.478 1.00 12.20 H new ATOM 0 HE ARG A 54 6.179 12.507 -2.667 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.833 12.033 0.835 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.040 13.558 1.246 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.139 14.206 -2.156 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.011 14.819 -0.504 1.00 23.38 H new ATOM 871 N THR A 55 7.376 7.547 -3.360 1.00 9.05 N ATOM 872 CA THR A 55 7.792 6.129 -3.632 1.00 9.03 C ATOM 873 C THR A 55 8.182 5.474 -2.383 1.00 8.15 C ATOM 874 O THR A 55 8.465 6.123 -1.387 1.00 5.91 O ATOM 875 CB THR A 55 9.039 5.974 -4.606 1.00 11.15 C ATOM 876 OG1 THR A 55 10.163 6.679 -4.120 1.00 11.95 O ATOM 877 CG2 THR A 55 8.688 6.663 -5.900 1.00 11.71 C ATOM 0 H THR A 55 8.107 8.159 -2.998 1.00 9.05 H new ATOM 0 HA THR A 55 6.920 5.680 -4.107 1.00 9.03 H new ATOM 0 HB THR A 55 9.263 4.912 -4.705 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.951 7.634 -4.064 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.523 6.577 -6.596 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.804 6.195 -6.334 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.483 7.716 -5.707 1.00 11.71 H new ATOM 885 N LEU A 56 8.223 4.083 -2.349 1.00 6.91 N ATOM 886 CA LEU A 56 8.744 3.131 -1.289 1.00 8.29 C ATOM 887 C LEU A 56 10.095 3.570 -0.686 1.00 8.05 C ATOM 888 O LEU A 56 10.230 3.705 0.524 1.00 10.17 O ATOM 889 CB LEU A 56 8.712 1.685 -1.938 1.00 6.60 C ATOM 890 CG LEU A 56 7.333 1.203 -2.241 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.462 0.181 -3.429 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.654 0.417 -1.104 1.00 8.64 C ATOM 0 H LEU A 56 7.856 3.556 -3.141 1.00 6.91 H new ATOM 0 HA LEU A 56 8.111 3.131 -0.402 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.296 1.695 -2.858 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.195 0.980 -1.261 1.00 6.60 H new ATOM 0 HG LEU A 56 6.733 2.091 -2.438 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.475 -0.202 -3.689 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.896 0.682 -4.294 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.104 -0.647 -3.129 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.657 0.110 -1.419 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.248 -0.466 -0.867 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.576 1.050 -0.220 1.00 8.64 H new ATOM 904 N SER A 57 11.140 3.801 -1.567 1.00 8.92 N ATOM 905 CA SER A 57 12.450 4.289 -1.076 1.00 9.00 C ATOM 906 C SER A 57 12.484 5.652 -0.347 1.00 9.44 C ATOM 907 O SER A 57 13.356 5.802 0.518 1.00 10.91 O ATOM 908 CB SER A 57 13.569 4.283 -2.174 1.00 10.32 C ATOM 909 OG SER A 57 13.073 5.126 -3.245 1.00 13.59 O ATOM 0 H SER A 57 11.086 3.658 -2.576 1.00 8.92 H new ATOM 0 HA SER A 57 12.653 3.540 -0.311 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.509 4.667 -1.777 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.763 3.271 -2.530 1.00 10.32 H new ATOM 0 HG SER A 57 13.736 5.163 -3.966 1.00 13.59 H new ATOM 915 N ASP A 58 11.547 6.610 -0.678 1.00 9.11 N ATOM 916 CA ASP A 58 11.359 7.878 0.047 1.00 7.91 C ATOM 917 C ASP A 58 10.829 7.670 1.479 1.00 9.12 C ATOM 918 O ASP A 58 11.344 8.301 2.411 1.00 8.61 O ATOM 919 CB ASP A 58 10.299 8.759 -0.706 1.00 8.41 C ATOM 920 CG ASP A 58 10.682 9.188 -2.152 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.843 9.543 -2.439 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.807 9.106 -3.058 1.00 11.70 O ATOM 0 H ASP A 58 10.907 6.501 -1.465 1.00 9.11 H new ATOM 0 HA ASP A 58 12.338 8.356 0.094 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.359 8.208 -0.747 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.116 9.658 -0.117 1.00 8.41 H new ATOM 927 N TYR A 59 9.899 6.761 1.669 1.00 7.97 N ATOM 928 CA TYR A 59 9.434 6.353 3.044 1.00 8.45 C ATOM 929 C TYR A 59 10.274 5.357 3.719 1.00 10.98 C ATOM 930 O TYR A 59 9.987 4.951 4.785 1.00 12.95 O ATOM 931 CB TYR A 59 8.049 5.727 2.896 1.00 7.94 C ATOM 932 CG TYR A 59 7.018 6.752 2.589 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.801 7.745 3.499 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.297 6.746 1.366 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.783 8.668 3.291 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.251 7.638 1.161 1.00 6.52 C ATOM 937 CZ TYR A 59 5.018 8.635 2.086 1.00 6.76 C ATOM 938 OH TYR A 59 4.127 9.697 1.871 1.00 7.63 O ATOM 0 H TYR A 59 9.428 6.270 0.909 1.00 7.97 H new ATOM 0 HA TYR A 59 9.463 7.258 3.651 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.069 4.980 2.102 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.784 5.207 3.816 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.420 7.814 4.381 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.563 6.044 0.590 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.570 9.413 4.043 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.626 7.551 0.285 1.00 6.52 H new ATOM 0 HH TYR A 59 4.264 10.062 0.972 1.00 7.63 H new ATOM 948 N ASN A 60 11.376 4.967 3.054 1.00 12.38 N ATOM 949 CA ASN A 60 12.362 4.060 3.626 1.00 13.94 C ATOM 950 C ASN A 60 11.861 2.650 3.940 1.00 14.16 C ATOM 951 O ASN A 60 12.155 2.115 5.010 1.00 14.26 O ATOM 952 CB ASN A 60 13.106 4.705 4.830 1.00 19.23 C ATOM 953 CG ASN A 60 13.891 5.932 4.332 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.973 5.690 3.705 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.411 7.162 4.543 1.00 24.09 N ATOM 0 H ASN A 60 11.599 5.276 2.108 1.00 12.38 H new ATOM 0 HA ASN A 60 13.082 3.902 2.823 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.393 5.001 5.599 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.784 3.983 5.285 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.919 7.975 4.193 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.537 7.288 5.054 1.00 24.09 H new ATOM 962 N ILE A 61 11.075 2.076 2.990 1.00 11.08 N ATOM 963 CA ILE A 61 10.526 0.779 3.135 1.00 11.78 C ATOM 964 C ILE A 61 11.411 -0.197 2.409 1.00 13.74 C ATOM 965 O ILE A 61 11.659 -0.064 1.202 1.00 14.60 O ATOM 966 CB ILE A 61 9.098 0.807 2.564 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.195 1.731 3.489 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.587 -0.639 2.376 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.902 2.141 2.852 1.00 11.42 C ATOM 0 H ILE A 61 10.827 2.535 2.113 1.00 11.08 H new ATOM 0 HA ILE A 61 10.474 0.468 4.178 1.00 11.78 H new ATOM 0 HB ILE A 61 9.063 1.252 1.570 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.981 1.202 4.417 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.759 2.625 3.755 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.575 -0.618 1.971 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.243 -1.170 1.686 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.582 -1.151 3.338 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.340 2.770 3.542 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.107 2.699 1.938 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.317 1.253 2.611 1.00 11.42 H new ATOM 981 N GLN A 62 11.827 -1.186 3.200 1.00 13.97 N ATOM 982 CA GLN A 62 12.636 -2.294 2.765 1.00 15.52 C ATOM 983 C GLN A 62 11.807 -3.586 2.391 1.00 13.94 C ATOM 984 O GLN A 62 10.598 -3.766 2.618 1.00 12.15 O ATOM 985 CB GLN A 62 13.616 -2.702 3.906 1.00 19.53 C ATOM 986 CG GLN A 62 14.393 -1.398 4.367 1.00 26.38 C ATOM 987 CD GLN A 62 15.011 -1.632 5.720 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.407 -2.711 6.019 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.248 -0.593 6.491 1.00 32.71 N ATOM 0 H GLN A 62 11.595 -1.227 4.192 1.00 13.97 H new ATOM 0 HA GLN A 62 13.150 -1.946 1.869 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.069 -3.136 4.743 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.316 -3.460 3.555 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.166 -1.147 3.641 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.709 -0.550 4.410 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.903 0.329 6.224 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.777 -0.709 7.355 1.00 32.71 H new ATOM 998 N LYS A 63 12.574 -4.522 1.791 1.00 11.73 N ATOM 999 CA LYS A 63 12.135 -5.867 1.567 1.00 11.97 C ATOM 1000 C LYS A 63 11.691 -6.639 2.808 1.00 10.41 C ATOM 1001 O LYS A 63 12.247 -6.574 3.877 1.00 9.59 O ATOM 1002 CB LYS A 63 13.239 -6.710 0.935 1.00 13.73 C ATOM 1003 CG LYS A 63 14.544 -6.958 1.757 1.00 16.98 C ATOM 1004 CD LYS A 63 15.319 -8.076 1.092 1.00 20.19 C ATOM 1005 CE LYS A 63 16.837 -8.270 1.459 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.947 -8.787 2.744 1.00 25.97 N ATOM 0 H LYS A 63 13.519 -4.338 1.455 1.00 11.73 H new ATOM 0 HA LYS A 63 11.270 -5.728 0.918 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.813 -7.682 0.686 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.523 -6.236 -0.004 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.146 -6.050 1.797 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.300 -7.224 2.785 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.804 -9.011 1.313 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.257 -7.925 0.014 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.310 -8.943 0.744 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.361 -7.317 1.394 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.951 -8.914 2.982 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.511 -8.129 3.421 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.462 -9.706 2.791 1.00 25.97 H new ATOM 1020 N GLU A 64 10.435 -7.209 2.677 1.00 10.04 N ATOM 1021 CA GLU A 64 9.818 -8.102 3.585 1.00 10.94 C ATOM 1022 C GLU A 64 9.135 -7.372 4.734 1.00 9.74 C ATOM 1023 O GLU A 64 8.645 -8.003 5.711 1.00 9.42 O ATOM 1024 CB GLU A 64 10.614 -9.304 4.014 1.00 18.31 C ATOM 1025 CG GLU A 64 11.194 -10.209 2.825 1.00 24.16 C ATOM 1026 CD GLU A 64 11.984 -11.417 3.284 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.008 -11.165 3.940 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.631 -12.577 2.978 1.00 31.72 O ATOM 0 H GLU A 64 9.842 -7.010 1.872 1.00 10.04 H new ATOM 0 HA GLU A 64 9.039 -8.571 2.985 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.448 -8.965 4.629 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.984 -9.928 4.648 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.364 -10.548 2.205 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.833 -9.591 2.193 1.00 24.16 H new ATOM 1035 N SER A 65 9.142 -6.042 4.677 1.00 6.85 N ATOM 1036 CA SER A 65 8.429 -5.230 5.626 1.00 6.90 C ATOM 1037 C SER A 65 6.894 -5.538 5.593 1.00 4.72 C ATOM 1038 O SER A 65 6.333 -5.984 4.570 1.00 3.91 O ATOM 1039 CB SER A 65 8.565 -3.732 5.321 1.00 7.28 C ATOM 1040 OG SER A 65 8.259 -2.949 6.466 1.00 10.56 O ATOM 0 H SER A 65 9.645 -5.509 3.968 1.00 6.85 H new ATOM 0 HA SER A 65 8.866 -5.467 6.596 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.580 -3.516 4.989 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.898 -3.462 4.503 1.00 7.28 H new ATOM 0 HG SER A 65 7.817 -2.120 6.187 1.00 10.56 H new ATOM 1046 N THR A 66 6.133 -5.198 6.609 1.00 4.48 N ATOM 1047 CA THR A 66 4.682 -5.314 6.697 1.00 3.80 C ATOM 1048 C THR A 66 4.069 -3.861 6.613 1.00 4.60 C ATOM 1049 O THR A 66 4.357 -2.924 7.351 1.00 5.33 O ATOM 1050 CB THR A 66 4.054 -6.085 7.863 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.388 -7.457 7.686 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.528 -5.952 7.959 1.00 3.40 C ATOM 0 H THR A 66 6.534 -4.804 7.460 1.00 4.48 H new ATOM 0 HA THR A 66 4.426 -5.959 5.856 1.00 3.80 H new ATOM 0 HB THR A 66 4.447 -5.664 8.788 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.003 -7.984 8.417 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.165 -6.528 8.810 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.262 -4.903 8.090 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.072 -6.330 7.044 1.00 3.40 H new ATOM 1060 N LEU A 67 3.116 -3.738 5.701 1.00 4.17 N ATOM 1061 CA LEU A 67 2.446 -2.538 5.315 1.00 3.85 C ATOM 1062 C LEU A 67 1.019 -2.672 5.827 1.00 3.80 C ATOM 1063 O LEU A 67 0.538 -3.798 6.121 1.00 5.54 O ATOM 1064 CB LEU A 67 2.383 -2.350 3.811 1.00 7.18 C ATOM 1065 CG LEU A 67 3.727 -1.801 3.181 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.907 -2.850 3.191 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.474 -1.316 1.735 1.00 11.66 C ATOM 0 H LEU A 67 2.776 -4.547 5.180 1.00 4.17 H new ATOM 0 HA LEU A 67 2.987 -1.684 5.723 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.137 -3.304 3.345 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.573 -1.661 3.574 1.00 7.18 H new ATOM 0 HG LEU A 67 4.043 -0.971 3.813 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.795 -2.403 2.744 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.126 -3.142 4.218 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.616 -3.730 2.618 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.404 -0.940 1.309 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.108 -2.147 1.131 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.731 -0.519 1.743 1.00 11.66 H new ATOM 1079 N HIS A 68 0.278 -1.536 5.978 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.082 -1.489 6.518 1.00 4.17 C ATOM 1081 C HIS A 68 -2.005 -0.871 5.424 1.00 5.32 C ATOM 1082 O HIS A 68 -1.603 0.097 4.783 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.177 -0.783 7.906 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.439 -1.664 8.883 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.971 -2.874 9.258 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.859 -1.661 9.333 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.013 -3.574 9.913 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.114 -2.887 9.989 1.00 16.30 N ATOM 0 H HIS A 68 0.633 -0.616 5.717 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.424 -2.500 6.742 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.732 0.211 7.867 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.217 -0.656 8.207 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.567 -0.856 9.207 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.112 -4.569 10.314 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.986 -3.175 10.433 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.250 -1.390 5.217 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.244 -0.973 4.279 1.00 3.97 C ATOM 1098 C LEU A 69 -5.504 -0.559 5.038 1.00 5.07 C ATOM 1099 O LEU A 69 -5.990 -1.239 5.933 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.615 -2.146 3.331 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.614 -1.851 2.189 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.136 -0.683 1.284 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.891 -3.116 1.360 1.00 9.96 C ATOM 0 H LEU A 69 -3.577 -2.181 5.771 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.849 -0.140 3.697 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.694 -2.522 2.884 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.027 -2.952 3.938 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.549 -1.535 2.652 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.868 -0.511 0.495 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.028 0.221 1.883 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.175 -0.939 0.837 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.597 -2.881 0.563 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.959 -3.477 0.925 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.314 -3.887 2.004 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.028 0.645 4.661 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.339 1.149 5.230 1.00 6.26 C ATOM 1117 C VAL A 70 -8.159 1.610 4.035 1.00 9.22 C ATOM 1118 O VAL A 70 -7.630 1.674 2.903 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.305 2.164 6.387 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.362 1.610 7.502 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.877 3.573 5.924 1.00 8.54 C ATOM 0 H VAL A 70 -5.589 1.274 3.989 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.797 0.320 5.769 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.313 2.283 6.783 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.325 2.316 8.331 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.742 0.652 7.858 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.360 1.474 7.096 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.870 4.250 6.778 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.878 3.526 5.490 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.581 3.940 5.177 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.470 1.860 4.197 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.268 2.254 3.057 1.00 16.06 C ATOM 1133 C LEU A 71 -10.235 3.733 2.958 1.00 18.09 C ATOM 1134 O LEU A 71 -9.935 4.406 3.929 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.705 1.809 3.274 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.856 0.293 2.984 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.259 -0.143 3.301 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.627 -0.120 1.486 1.00 19.57 C ATOM 0 H LEU A 71 -9.973 1.795 5.082 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.877 1.799 2.147 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.006 2.020 4.300 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.370 2.377 2.623 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.090 -0.178 3.601 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.364 -1.209 3.097 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.470 0.047 4.353 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.962 0.416 2.683 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.754 -1.198 1.382 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.350 0.393 0.852 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.618 0.157 1.182 1.00 19.57 H new