USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 6 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot -179:sc= 1.05 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.175 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-0.305) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.3 (180deg=0.934) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -143:sc= 1.01 (180deg=-0.358!) USER MOD Single : A 14 THR OG1 : rot -61:sc= 0.0724 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=-0.00292 X(o=-0.0029,f=-0.098) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.07) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.521 (180deg=0.518) USER MOD Single : A 31 GLN : amide:sc= -0.099 K(o=-0.099,f=-0.6) USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= 0.181 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.258 K(o=0.26,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0779 X(o=-0.078,f=-0.074) USER MOD Single : A 55 THR OG1 : rot -75:sc= 0.322 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.534 USER MOD Single : A 60 ASN : amide:sc=-0.000618 X(o=-0.00062,f=-0.00062) USER MOD Single : A 62 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.19) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -134:sc= 0.766 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.653 -6.807 -4.843 1.00 9.67 N ATOM 2 CA MET A 1 11.437 -7.559 -3.544 1.00 10.38 C ATOM 3 C MET A 1 9.975 -7.696 -3.172 1.00 9.62 C ATOM 4 O MET A 1 9.112 -7.069 -3.772 1.00 9.62 O ATOM 5 CB MET A 1 12.261 -6.776 -2.522 1.00 13.77 C ATOM 6 CG MET A 1 11.817 -5.332 -2.209 1.00 16.29 C ATOM 7 SD MET A 1 12.863 -4.552 -0.985 1.00 17.17 S ATOM 8 CE MET A 1 11.656 -3.192 -0.797 1.00 16.11 C ATOM 0 H1 MET A 1 12.667 -6.613 -4.967 1.00 9.67 H new ATOM 0 H2 MET A 1 11.311 -7.383 -5.639 1.00 9.67 H new ATOM 0 H3 MET A 1 11.129 -5.909 -4.815 1.00 9.67 H new ATOM 0 HA MET A 1 11.758 -8.599 -3.609 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.262 -7.338 -1.588 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.292 -6.743 -2.875 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.832 -4.743 -3.126 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.787 -5.340 -1.852 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.167 -2.299 -0.437 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.192 -2.981 -1.761 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.888 -3.484 -0.081 1.00 16.11 H new ATOM 20 N GLN A 2 9.673 -8.543 -2.191 1.00 9.27 N ATOM 21 CA GLN A 2 8.321 -8.895 -1.740 1.00 9.07 C ATOM 22 C GLN A 2 8.010 -8.219 -0.412 1.00 8.72 C ATOM 23 O GLN A 2 8.793 -8.072 0.535 1.00 8.22 O ATOM 24 CB GLN A 2 8.295 -10.439 -1.671 1.00 14.46 C ATOM 25 CG GLN A 2 7.146 -11.206 -0.932 1.00 17.01 C ATOM 26 CD GLN A 2 7.049 -12.718 -1.217 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.712 -13.021 -2.365 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.161 -13.589 -0.175 1.00 19.49 N ATOM 0 H GLN A 2 10.397 -9.028 -1.661 1.00 9.27 H new ATOM 0 HA GLN A 2 7.543 -8.545 -2.418 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.309 -10.802 -2.699 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.232 -10.751 -1.210 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.275 -11.067 0.141 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.196 -10.744 -1.202 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.447 -13.251 0.744 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.959 -14.579 -0.314 1.00 19.49 H new ATOM 37 N ILE A 3 6.761 -7.659 -0.305 1.00 5.87 N ATOM 38 CA ILE A 3 6.234 -6.994 0.892 1.00 5.07 C ATOM 39 C ILE A 3 4.907 -7.598 1.285 1.00 4.01 C ATOM 40 O ILE A 3 4.317 -8.352 0.486 1.00 4.61 O ATOM 41 CB ILE A 3 5.984 -5.477 0.729 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.199 -5.005 -0.513 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.320 -4.704 0.785 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.483 -3.654 -0.418 1.00 10.83 C ATOM 0 H ILE A 3 6.094 -7.668 -1.077 1.00 5.87 H new ATOM 0 HA ILE A 3 7.009 -7.140 1.644 1.00 5.07 H new ATOM 0 HB ILE A 3 5.327 -5.255 1.570 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.891 -4.962 -1.354 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.455 -5.765 -0.751 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.128 -3.637 0.669 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.804 -4.883 1.745 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.972 -5.045 -0.019 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.972 -3.446 -1.358 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.754 -3.685 0.392 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.213 -2.869 -0.220 1.00 10.83 H new ATOM 56 N PHE A 4 4.484 -7.198 2.462 1.00 4.55 N ATOM 57 CA PHE A 4 3.194 -7.672 3.041 1.00 4.68 C ATOM 58 C PHE A 4 2.278 -6.511 3.472 1.00 5.30 C ATOM 59 O PHE A 4 2.578 -5.761 4.384 1.00 5.58 O ATOM 60 CB PHE A 4 3.476 -8.533 4.283 1.00 4.83 C ATOM 61 CG PHE A 4 4.227 -9.761 3.867 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.702 -10.744 3.056 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.558 -9.923 4.282 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.357 -11.960 2.831 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.170 -11.153 4.162 1.00 10.61 C ATOM 66 CZ PHE A 4 5.563 -12.156 3.473 1.00 8.90 C ATOM 0 H PHE A 4 4.996 -6.546 3.057 1.00 4.55 H new ATOM 0 HA PHE A 4 2.688 -8.242 2.262 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.056 -7.965 5.010 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.540 -8.811 4.769 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.750 -10.569 2.577 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.102 -9.086 4.694 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.936 -12.714 2.182 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.135 -11.320 4.617 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.035 -13.127 3.427 1.00 8.90 H new ATOM 76 N VAL A 5 1.138 -6.347 2.865 1.00 4.44 N ATOM 77 CA VAL A 5 0.138 -5.402 3.247 1.00 3.87 C ATOM 78 C VAL A 5 -0.894 -6.030 4.130 1.00 4.93 C ATOM 79 O VAL A 5 -1.470 -7.052 3.748 1.00 6.84 O ATOM 80 CB VAL A 5 -0.572 -4.798 2.042 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.856 -3.957 2.392 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.404 -3.902 1.288 1.00 9.13 C ATOM 0 H VAL A 5 0.871 -6.898 2.050 1.00 4.44 H new ATOM 0 HA VAL A 5 0.662 -4.613 3.786 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.910 -5.641 1.439 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.296 -3.566 1.475 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.581 -4.594 2.899 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.581 -3.128 3.045 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.096 -3.465 0.424 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.751 -3.106 1.947 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.257 -4.493 0.954 1.00 9.13 H new ATOM 92 N LYS A 6 -1.174 -5.515 5.381 1.00 6.04 N ATOM 93 CA LYS A 6 -2.111 -6.236 6.256 1.00 6.12 C ATOM 94 C LYS A 6 -3.423 -5.530 6.262 1.00 6.57 C ATOM 95 O LYS A 6 -3.527 -4.314 6.340 1.00 5.76 O ATOM 96 CB LYS A 6 -1.514 -6.269 7.666 1.00 7.45 C ATOM 97 CG LYS A 6 -0.298 -7.108 7.773 1.00 11.12 C ATOM 98 CD LYS A 6 -0.582 -8.616 7.891 1.00 14.54 C ATOM 99 CE LYS A 6 0.723 -9.465 8.086 1.00 18.84 C ATOM 100 NZ LYS A 6 0.316 -10.902 8.128 1.00 20.55 N ATOM 0 H LYS A 6 -0.781 -4.657 5.767 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.269 -7.254 5.900 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.272 -5.252 7.974 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.266 -6.642 8.362 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.328 -6.935 6.898 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.275 -6.788 8.643 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.253 -8.790 8.732 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.100 -8.955 6.994 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.423 -9.287 7.269 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.231 -9.182 9.008 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.164 -11.503 8.120 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.229 -11.083 8.995 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.271 -11.121 7.298 1.00 20.55 H new ATOM 114 N THR A 7 -4.578 -6.262 6.209 1.00 7.41 N ATOM 115 CA THR A 7 -5.960 -5.750 6.387 1.00 7.48 C ATOM 116 C THR A 7 -6.543 -5.632 7.762 1.00 8.75 C ATOM 117 O THR A 7 -6.083 -6.201 8.701 1.00 8.58 O ATOM 118 CB THR A 7 -6.918 -6.488 5.512 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.423 -7.751 6.063 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.298 -6.828 4.123 1.00 9.17 C ATOM 0 H THR A 7 -4.562 -7.267 6.033 1.00 7.41 H new ATOM 0 HA THR A 7 -5.823 -4.708 6.097 1.00 7.48 H new ATOM 0 HB THR A 7 -7.750 -5.789 5.428 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.043 -8.162 5.424 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.030 -7.365 3.519 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.015 -5.906 3.615 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.415 -7.452 4.262 1.00 9.17 H new ATOM 128 N LEU A 8 -7.702 -4.920 7.907 1.00 9.84 N ATOM 129 CA LEU A 8 -8.458 -4.737 9.201 1.00 14.15 C ATOM 130 C LEU A 8 -8.967 -6.044 9.860 1.00 17.37 C ATOM 131 O LEU A 8 -8.867 -6.311 11.039 1.00 17.01 O ATOM 132 CB LEU A 8 -9.486 -3.697 8.863 1.00 16.63 C ATOM 133 CG LEU A 8 -10.510 -3.405 9.969 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.860 -2.683 11.155 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.757 -2.795 9.442 1.00 18.59 C ATOM 0 H LEU A 8 -8.149 -4.448 7.121 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.821 -4.399 10.018 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.972 -2.769 8.612 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.022 -4.016 7.969 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.854 -4.353 10.383 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.612 -2.491 11.920 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.069 -3.307 11.572 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.436 -1.737 10.817 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.447 -2.609 10.265 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.520 -1.853 8.947 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.220 -3.475 8.727 1.00 18.59 H new ATOM 147 N THR A 9 -9.416 -6.998 9.026 1.00 18.33 N ATOM 148 CA THR A 9 -9.797 -8.324 9.490 1.00 19.24 C ATOM 149 C THR A 9 -8.639 -9.356 9.539 1.00 19.48 C ATOM 150 O THR A 9 -8.823 -10.540 9.672 1.00 23.14 O ATOM 151 CB THR A 9 -10.946 -8.941 8.773 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.628 -9.228 7.388 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.163 -8.017 8.808 1.00 19.70 C ATOM 0 H THR A 9 -9.521 -6.864 8.020 1.00 18.33 H new ATOM 0 HA THR A 9 -10.110 -8.100 10.510 1.00 19.24 H new ATOM 0 HB THR A 9 -11.168 -9.876 9.286 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.406 -9.634 6.951 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.992 -8.487 8.278 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.451 -7.834 9.843 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.915 -7.071 8.327 1.00 19.70 H new ATOM 161 N GLY A 10 -7.382 -8.970 9.306 1.00 19.43 N ATOM 162 CA GLY A 10 -6.213 -9.743 9.662 1.00 18.74 C ATOM 163 C GLY A 10 -5.741 -10.619 8.522 1.00 17.62 C ATOM 164 O GLY A 10 -4.983 -11.583 8.762 1.00 19.74 O ATOM 0 H GLY A 10 -7.155 -8.086 8.852 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.409 -9.069 9.957 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.440 -10.366 10.527 1.00 18.74 H new ATOM 168 N LYS A 11 -6.100 -10.322 7.245 1.00 13.56 N ATOM 169 CA LYS A 11 -5.629 -10.995 6.077 1.00 11.91 C ATOM 170 C LYS A 11 -4.331 -10.314 5.710 1.00 10.18 C ATOM 171 O LYS A 11 -4.015 -9.198 6.108 1.00 9.10 O ATOM 172 CB LYS A 11 -6.667 -10.875 4.953 1.00 13.43 C ATOM 173 CG LYS A 11 -6.647 -11.822 3.821 1.00 16.69 C ATOM 174 CD LYS A 11 -7.831 -11.586 2.845 1.00 17.92 C ATOM 175 CE LYS A 11 -7.989 -12.761 1.825 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.765 -12.245 0.698 1.00 21.93 N ATOM 0 H LYS A 11 -6.754 -9.570 7.028 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.472 -12.061 6.245 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.652 -10.943 5.414 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.578 -9.872 4.537 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.706 -11.721 3.280 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.688 -12.843 4.201 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.754 -11.473 3.414 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.674 -10.653 2.303 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.014 -13.117 1.492 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.496 -13.608 2.287 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.405 -12.987 0.348 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.323 -11.424 1.008 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.120 -11.956 -0.065 1.00 21.93 H new ATOM 190 N THR A 12 -3.466 -11.046 4.943 1.00 9.63 N ATOM 191 CA THR A 12 -2.232 -10.528 4.370 1.00 9.85 C ATOM 192 C THR A 12 -2.429 -10.443 2.912 1.00 11.66 C ATOM 193 O THR A 12 -3.063 -11.304 2.291 1.00 12.33 O ATOM 194 CB THR A 12 -0.965 -11.404 4.555 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.871 -11.886 5.850 1.00 10.91 O ATOM 196 CG2 THR A 12 0.337 -10.648 4.281 1.00 9.63 C ATOM 0 H THR A 12 -3.631 -12.027 4.716 1.00 9.63 H new ATOM 0 HA THR A 12 -2.052 -9.587 4.890 1.00 9.85 H new ATOM 0 HB THR A 12 -1.081 -12.211 3.832 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.056 -12.423 5.941 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.184 -11.318 4.428 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.337 -10.283 3.254 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.419 -9.804 4.966 1.00 9.63 H new ATOM 204 N ILE A 13 -1.870 -9.377 2.300 1.00 10.42 N ATOM 205 CA ILE A 13 -1.823 -9.256 0.857 1.00 11.84 C ATOM 206 C ILE A 13 -0.366 -9.307 0.498 1.00 10.55 C ATOM 207 O ILE A 13 0.325 -8.300 0.802 1.00 11.92 O ATOM 208 CB ILE A 13 -2.522 -7.988 0.200 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.752 -7.557 1.014 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.854 -8.399 -1.261 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.518 -6.370 0.392 1.00 16.46 C ATOM 0 H ILE A 13 -1.448 -8.594 2.799 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.420 -10.070 0.446 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.876 -7.110 0.197 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.429 -8.406 1.110 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.435 -7.286 2.021 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.339 -7.567 -1.772 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.934 -8.659 -1.784 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.523 -9.260 -1.254 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.374 -6.120 1.019 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.856 -5.507 0.321 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.866 -6.643 -0.604 1.00 16.46 H new ATOM 223 N THR A 14 0.161 -10.399 -0.077 1.00 9.39 N ATOM 224 CA THR A 14 1.572 -10.512 -0.425 1.00 9.63 C ATOM 225 C THR A 14 1.720 -9.850 -1.770 1.00 11.20 C ATOM 226 O THR A 14 0.893 -10.034 -2.675 1.00 11.63 O ATOM 227 CB THR A 14 2.018 -11.990 -0.517 1.00 10.38 C ATOM 228 OG1 THR A 14 1.772 -12.727 0.651 1.00 16.30 O ATOM 229 CG2 THR A 14 3.427 -12.106 -0.817 1.00 11.66 C ATOM 0 H THR A 14 -0.387 -11.227 -0.311 1.00 9.39 H new ATOM 0 HA THR A 14 2.193 -10.043 0.338 1.00 9.63 H new ATOM 0 HB THR A 14 1.414 -12.403 -1.325 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.275 -12.337 1.396 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.701 -13.159 -0.873 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.636 -11.625 -1.772 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.007 -11.621 -0.032 1.00 11.66 H new ATOM 237 N LEU A 15 2.729 -9.063 -1.952 1.00 8.29 N ATOM 238 CA LEU A 15 2.901 -8.292 -3.176 1.00 9.03 C ATOM 239 C LEU A 15 4.331 -8.359 -3.594 1.00 8.59 C ATOM 240 O LEU A 15 5.208 -8.640 -2.784 1.00 7.79 O ATOM 241 CB LEU A 15 2.558 -6.772 -3.056 1.00 11.08 C ATOM 242 CG LEU A 15 1.183 -6.528 -2.502 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.124 -5.042 -2.083 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.108 -6.811 -3.513 1.00 15.27 C ATOM 0 H LEU A 15 3.469 -8.924 -1.264 1.00 8.29 H new ATOM 0 HA LEU A 15 2.206 -8.738 -3.888 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.294 -6.287 -2.415 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.636 -6.308 -4.039 1.00 11.08 H new ATOM 0 HG LEU A 15 1.006 -7.196 -1.659 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.139 -4.818 -1.673 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.885 -4.847 -1.327 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.307 -4.411 -2.953 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.869 -6.621 -3.068 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.244 -6.164 -4.380 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.168 -7.854 -3.825 1.00 15.27 H new ATOM 256 N GLU A 16 4.668 -8.077 -4.874 1.00 11.04 N ATOM 257 CA GLU A 16 6.041 -8.004 -5.320 1.00 11.50 C ATOM 258 C GLU A 16 6.359 -6.621 -5.945 1.00 10.13 C ATOM 259 O GLU A 16 5.653 -6.150 -6.820 1.00 9.83 O ATOM 260 CB GLU A 16 6.374 -9.166 -6.220 1.00 17.22 C ATOM 261 CG GLU A 16 7.889 -9.016 -6.753 1.00 23.33 C ATOM 262 CD GLU A 16 8.327 -10.017 -7.851 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.785 -9.997 -8.974 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.286 -10.776 -7.597 1.00 28.86 O ATOM 0 H GLU A 16 3.984 -7.897 -5.609 1.00 11.04 H new ATOM 0 HA GLU A 16 6.697 -8.092 -4.454 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.259 -10.104 -5.678 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.682 -9.198 -7.062 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.018 -8.005 -7.139 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.564 -9.122 -5.903 1.00 23.33 H new ATOM 271 N VAL A 17 7.340 -5.866 -5.388 1.00 8.99 N ATOM 272 CA VAL A 17 7.558 -4.492 -5.577 1.00 8.85 C ATOM 273 C VAL A 17 9.009 -4.102 -5.740 1.00 8.04 C ATOM 274 O VAL A 17 9.897 -4.847 -5.274 1.00 8.99 O ATOM 275 CB VAL A 17 6.996 -3.576 -4.546 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.452 -3.898 -4.386 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.667 -3.851 -3.188 1.00 10.54 C ATOM 0 H VAL A 17 8.027 -6.276 -4.755 1.00 8.99 H new ATOM 0 HA VAL A 17 7.005 -4.356 -6.507 1.00 8.85 H new ATOM 0 HB VAL A 17 7.163 -2.542 -4.848 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.019 -3.238 -3.635 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.947 -3.743 -5.340 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.327 -4.935 -4.074 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.254 -3.179 -2.435 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.482 -4.884 -2.893 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.741 -3.685 -3.272 1.00 10.54 H new ATOM 287 N GLU A 18 9.312 -2.974 -6.403 1.00 7.29 N ATOM 288 CA GLU A 18 10.660 -2.455 -6.473 1.00 7.08 C ATOM 289 C GLU A 18 10.760 -1.322 -5.537 1.00 6.45 C ATOM 290 O GLU A 18 9.699 -0.793 -5.232 1.00 5.28 O ATOM 291 CB GLU A 18 10.976 -1.975 -7.935 1.00 10.28 C ATOM 292 CG GLU A 18 11.055 -3.044 -8.996 1.00 12.65 C ATOM 293 CD GLU A 18 11.142 -2.516 -10.485 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.901 -1.335 -10.779 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.436 -3.387 -11.373 1.00 18.17 O ATOM 0 H GLU A 18 8.623 -2.409 -6.899 1.00 7.29 H new ATOM 0 HA GLU A 18 11.378 -3.230 -6.206 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.210 -1.258 -8.231 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.925 -1.440 -7.920 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.928 -3.666 -8.797 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.179 -3.686 -8.907 1.00 12.65 H new ATOM 302 N PRO A 19 11.894 -0.915 -4.954 1.00 7.24 N ATOM 303 CA PRO A 19 11.957 0.229 -3.991 1.00 7.07 C ATOM 304 C PRO A 19 11.527 1.516 -4.632 1.00 6.65 C ATOM 305 O PRO A 19 11.056 2.436 -3.948 1.00 6.37 O ATOM 306 CB PRO A 19 13.442 0.316 -3.656 1.00 7.61 C ATOM 307 CG PRO A 19 13.808 -1.205 -3.661 1.00 8.16 C ATOM 308 CD PRO A 19 13.085 -1.704 -4.939 1.00 7.49 C ATOM 0 HA PRO A 19 11.305 0.077 -3.131 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.005 0.883 -4.398 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.625 0.786 -2.690 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.885 -1.366 -3.712 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.452 -1.714 -2.765 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.687 -1.545 -5.833 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.864 -2.770 -4.889 1.00 7.49 H new ATOM 316 N SER A 20 11.722 1.623 -5.974 1.00 6.80 N ATOM 317 CA SER A 20 11.248 2.834 -6.703 1.00 6.28 C ATOM 318 C SER A 20 9.785 2.865 -7.079 1.00 8.45 C ATOM 319 O SER A 20 9.319 3.916 -7.484 1.00 7.26 O ATOM 320 CB SER A 20 12.179 3.145 -7.904 1.00 8.57 C ATOM 321 OG SER A 20 13.532 2.922 -7.554 1.00 11.13 O ATOM 0 H SER A 20 12.183 0.921 -6.553 1.00 6.80 H new ATOM 0 HA SER A 20 11.316 3.641 -5.974 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.909 2.517 -8.753 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.044 4.180 -8.217 1.00 8.57 H new ATOM 0 HG SER A 20 14.106 3.121 -8.323 1.00 11.13 H new ATOM 327 N ASP A 21 8.967 1.788 -6.942 1.00 7.50 N ATOM 328 CA ASP A 21 7.558 1.920 -7.197 1.00 7.70 C ATOM 329 C ASP A 21 6.825 2.944 -6.221 1.00 7.08 C ATOM 330 O ASP A 21 7.147 3.079 -5.053 1.00 8.11 O ATOM 331 CB ASP A 21 6.714 0.602 -7.168 1.00 11.00 C ATOM 332 CG ASP A 21 7.235 -0.479 -8.113 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.682 -0.027 -9.235 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.207 -1.734 -7.840 1.00 18.03 O ATOM 0 H ASP A 21 9.273 0.856 -6.663 1.00 7.50 H new ATOM 0 HA ASP A 21 7.583 2.289 -8.222 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.704 0.210 -6.151 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.682 0.835 -7.430 1.00 11.00 H new ATOM 339 N THR A 22 5.876 3.666 -6.774 1.00 5.37 N ATOM 340 CA THR A 22 5.103 4.657 -6.076 1.00 6.01 C ATOM 341 C THR A 22 3.843 3.993 -5.434 1.00 8.01 C ATOM 342 O THR A 22 3.374 2.895 -5.828 1.00 8.11 O ATOM 343 CB THR A 22 4.633 5.794 -7.001 1.00 8.92 C ATOM 344 OG1 THR A 22 3.794 5.358 -8.075 1.00 10.22 O ATOM 345 CG2 THR A 22 5.869 6.557 -7.556 1.00 9.65 C ATOM 0 H THR A 22 5.616 3.573 -7.756 1.00 5.37 H new ATOM 0 HA THR A 22 5.753 5.082 -5.311 1.00 6.01 H new ATOM 0 HB THR A 22 4.017 6.457 -6.394 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.532 6.130 -8.620 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.536 7.362 -8.211 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.440 6.976 -6.728 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.499 5.868 -8.119 1.00 9.65 H new ATOM 353 N ILE A 23 3.282 4.615 -4.370 1.00 8.32 N ATOM 354 CA ILE A 23 2.132 4.125 -3.588 1.00 9.92 C ATOM 355 C ILE A 23 0.904 3.850 -4.428 1.00 10.01 C ATOM 356 O ILE A 23 0.191 2.876 -4.236 1.00 8.71 O ATOM 357 CB ILE A 23 1.776 5.138 -2.513 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.931 5.564 -1.489 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.610 4.602 -1.686 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.476 4.401 -0.766 1.00 12.30 C ATOM 0 H ILE A 23 3.635 5.507 -4.023 1.00 8.32 H new ATOM 0 HA ILE A 23 2.441 3.176 -3.149 1.00 9.92 H new ATOM 0 HB ILE A 23 1.546 6.039 -3.081 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.733 6.063 -2.033 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.535 6.284 -0.773 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.350 5.325 -0.913 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.251 4.438 -2.334 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.897 3.660 -1.220 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.257 4.732 -0.081 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.679 3.917 -0.201 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.896 3.693 -1.480 1.00 12.30 H new ATOM 372 N GLU A 24 0.726 4.709 -5.468 1.00 9.54 N ATOM 373 CA GLU A 24 -0.237 4.469 -6.527 1.00 11.81 C ATOM 374 C GLU A 24 -0.115 3.041 -7.207 1.00 11.14 C ATOM 375 O GLU A 24 -1.105 2.357 -7.457 1.00 10.62 O ATOM 376 CB GLU A 24 0.054 5.576 -7.528 1.00 19.24 C ATOM 377 CG GLU A 24 -0.723 5.391 -8.888 1.00 27.76 C ATOM 378 CD GLU A 24 -0.709 6.592 -9.794 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.367 7.032 -10.239 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.810 7.111 -10.137 1.00 34.80 O ATOM 0 H GLU A 24 1.252 5.576 -5.577 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.255 4.476 -6.137 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.215 6.537 -7.089 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.125 5.606 -7.728 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.292 4.545 -9.424 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.759 5.134 -8.666 1.00 27.76 H new ATOM 387 N ASN A 25 1.111 2.644 -7.589 1.00 9.43 N ATOM 388 CA ASN A 25 1.469 1.436 -8.336 1.00 10.96 C ATOM 389 C ASN A 25 1.280 0.196 -7.446 1.00 9.68 C ATOM 390 O ASN A 25 1.009 -0.877 -7.903 1.00 9.33 O ATOM 391 CB ASN A 25 2.973 1.585 -8.864 1.00 16.78 C ATOM 392 CG ASN A 25 3.342 0.691 -10.077 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.302 -0.073 -9.994 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.589 0.756 -11.168 1.00 24.70 N ATOM 0 H ASN A 25 1.934 3.203 -7.365 1.00 9.43 H new ATOM 0 HA ASN A 25 0.817 1.309 -9.200 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.143 2.627 -9.136 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.653 1.355 -8.044 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.800 0.161 -11.969 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.799 1.401 -11.205 1.00 24.70 H new ATOM 401 N VAL A 26 1.484 0.332 -6.101 1.00 6.52 N ATOM 402 CA VAL A 26 1.232 -0.700 -5.066 1.00 5.53 C ATOM 403 C VAL A 26 -0.227 -0.881 -4.858 1.00 4.42 C ATOM 404 O VAL A 26 -0.721 -1.977 -4.883 1.00 3.40 O ATOM 405 CB VAL A 26 1.983 -0.566 -3.751 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.836 -1.844 -2.885 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.479 -0.409 -4.098 1.00 8.12 C ATOM 0 H VAL A 26 1.842 1.199 -5.701 1.00 6.52 H new ATOM 0 HA VAL A 26 1.668 -1.606 -5.486 1.00 5.53 H new ATOM 0 HB VAL A 26 1.585 0.283 -3.195 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.384 -1.716 -1.952 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.782 -2.016 -2.666 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.238 -2.700 -3.428 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.057 -0.309 -3.179 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.819 -1.287 -4.647 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.619 0.480 -4.713 1.00 8.12 H new ATOM 417 N LYS A 27 -1.040 0.205 -4.840 1.00 2.64 N ATOM 418 CA LYS A 27 -2.514 -0.022 -4.910 1.00 4.14 C ATOM 419 C LYS A 27 -2.990 -0.694 -6.185 1.00 5.58 C ATOM 420 O LYS A 27 -3.773 -1.649 -6.127 1.00 4.11 O ATOM 421 CB LYS A 27 -3.245 1.280 -4.751 1.00 3.97 C ATOM 422 CG LYS A 27 -2.906 2.017 -3.497 1.00 7.45 C ATOM 423 CD LYS A 27 -3.409 3.466 -3.499 1.00 9.02 C ATOM 424 CE LYS A 27 -3.345 4.175 -2.131 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.756 5.581 -2.055 1.00 15.47 N ATOM 0 H LYS A 27 -0.737 1.177 -4.782 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.736 -0.708 -4.092 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.022 1.917 -5.607 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.318 1.087 -4.768 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.336 1.490 -2.645 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.824 2.014 -3.361 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.822 4.039 -4.217 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.441 3.477 -3.850 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.964 3.610 -1.435 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.319 4.109 -1.770 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.262 6.045 -1.266 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.515 6.062 -2.945 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.783 5.635 -1.900 1.00 15.47 H new ATOM 439 N ALA A 28 -2.430 -0.399 -7.394 1.00 6.61 N ATOM 440 CA ALA A 28 -2.660 -1.167 -8.601 1.00 7.74 C ATOM 441 C ALA A 28 -2.322 -2.655 -8.519 1.00 9.17 C ATOM 442 O ALA A 28 -3.107 -3.492 -9.039 1.00 11.45 O ATOM 443 CB ALA A 28 -1.790 -0.674 -9.773 1.00 7.68 C ATOM 0 H ALA A 28 -1.803 0.393 -7.533 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.731 -1.027 -8.744 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.995 -1.278 -10.657 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.022 0.370 -9.985 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.737 -0.765 -9.508 1.00 7.68 H new ATOM 449 N LYS A 29 -1.189 -3.102 -7.817 1.00 8.96 N ATOM 450 CA LYS A 29 -0.949 -4.516 -7.498 1.00 7.90 C ATOM 451 C LYS A 29 -1.978 -5.122 -6.528 1.00 6.92 C ATOM 452 O LYS A 29 -2.557 -6.152 -6.795 1.00 6.87 O ATOM 453 CB LYS A 29 0.491 -4.576 -6.974 1.00 10.28 C ATOM 454 CG LYS A 29 1.662 -4.425 -8.064 1.00 14.94 C ATOM 455 CD LYS A 29 2.940 -3.847 -7.485 1.00 19.69 C ATOM 456 CE LYS A 29 4.049 -3.439 -8.446 1.00 22.63 C ATOM 457 NZ LYS A 29 4.693 -4.557 -9.188 1.00 24.98 N ATOM 0 H LYS A 29 -0.457 -2.476 -7.482 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.074 -5.138 -8.385 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.615 -3.789 -6.230 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.626 -5.527 -6.459 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.875 -5.402 -8.498 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.315 -3.785 -8.875 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.671 -2.970 -6.896 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.353 -4.581 -6.793 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.639 -2.734 -9.169 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.817 -2.908 -7.884 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.466 -4.184 -9.776 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.075 -5.248 -8.511 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.989 -5.021 -9.796 1.00 24.98 H new ATOM 471 N ILE A 30 -2.357 -4.449 -5.412 1.00 4.57 N ATOM 472 CA ILE A 30 -3.423 -4.857 -4.461 1.00 5.58 C ATOM 473 C ILE A 30 -4.770 -5.029 -5.204 1.00 7.26 C ATOM 474 O ILE A 30 -5.562 -5.934 -4.913 1.00 9.46 O ATOM 475 CB ILE A 30 -3.627 -3.899 -3.253 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.329 -3.755 -2.385 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.995 -4.255 -2.480 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.357 -2.523 -1.479 1.00 2.00 C ATOM 0 H ILE A 30 -1.911 -3.573 -5.139 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.078 -5.803 -4.044 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.777 -2.878 -3.604 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.206 -4.648 -1.773 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.462 -3.697 -3.043 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.124 -3.576 -1.637 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.837 -4.149 -3.164 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.951 -5.281 -2.116 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.434 -2.475 -0.902 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.451 -1.625 -2.089 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.206 -2.590 -0.799 1.00 2.00 H new ATOM 490 N GLN A 31 -5.079 -4.125 -6.236 1.00 7.06 N ATOM 491 CA GLN A 31 -6.235 -4.142 -7.070 1.00 8.67 C ATOM 492 C GLN A 31 -6.222 -5.384 -7.958 1.00 10.90 C ATOM 493 O GLN A 31 -7.282 -5.992 -7.973 1.00 9.63 O ATOM 494 CB GLN A 31 -6.479 -2.833 -7.995 1.00 9.12 C ATOM 495 CG GLN A 31 -7.818 -2.944 -8.742 1.00 10.76 C ATOM 496 CD GLN A 31 -7.954 -1.727 -9.678 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.015 -1.375 -10.398 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.176 -1.162 -9.751 1.00 14.76 N ATOM 0 H GLN A 31 -4.455 -3.352 -6.466 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.066 -4.149 -6.365 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.475 -1.936 -7.375 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.664 -2.729 -8.711 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.857 -3.870 -9.316 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.646 -2.973 -8.034 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.924 -1.484 -9.137 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.352 -0.413 -10.421 1.00 14.76 H new ATOM 507 N ASP A 32 -5.094 -5.780 -8.625 1.00 10.93 N ATOM 508 CA ASP A 32 -4.934 -7.047 -9.326 1.00 14.01 C ATOM 509 C ASP A 32 -5.088 -8.184 -8.353 1.00 14.04 C ATOM 510 O ASP A 32 -5.903 -9.076 -8.632 1.00 13.39 O ATOM 511 CB ASP A 32 -3.555 -6.999 -10.048 1.00 18.01 C ATOM 512 CG ASP A 32 -3.487 -6.192 -11.313 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.432 -6.239 -12.106 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.413 -5.536 -11.606 1.00 25.17 O ATOM 0 H ASP A 32 -4.261 -5.193 -8.677 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.701 -7.212 -10.083 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.818 -6.601 -9.350 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.256 -8.021 -10.279 1.00 18.01 H new ATOM 519 N LYS A 33 -4.565 -8.154 -7.123 1.00 14.22 N ATOM 520 CA LYS A 33 -4.817 -9.265 -6.200 1.00 14.00 C ATOM 521 C LYS A 33 -6.163 -9.422 -5.542 1.00 12.37 C ATOM 522 O LYS A 33 -6.713 -10.542 -5.596 1.00 12.17 O ATOM 523 CB LYS A 33 -3.811 -9.201 -5.026 1.00 18.62 C ATOM 524 CG LYS A 33 -2.364 -9.412 -5.396 1.00 24.00 C ATOM 525 CD LYS A 33 -1.992 -10.898 -5.604 1.00 27.61 C ATOM 526 CE LYS A 33 -0.478 -10.931 -5.625 1.00 27.64 C ATOM 527 NZ LYS A 33 0.118 -12.119 -4.816 1.00 30.06 N ATOM 0 H LYS A 33 -3.985 -7.401 -6.753 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.730 -10.107 -6.886 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.906 -8.229 -4.542 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.092 -9.953 -4.289 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.147 -8.860 -6.310 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.732 -8.993 -4.613 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.388 -11.519 -4.800 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.407 -11.281 -6.536 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.136 -10.995 -6.658 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.094 -9.995 -5.220 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.523 -11.765 -3.926 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.633 -12.807 -4.605 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.863 -12.581 -5.376 1.00 30.06 H new ATOM 541 N GLU A 34 -6.696 -8.398 -4.844 1.00 10.11 N ATOM 542 CA GLU A 34 -7.906 -8.430 -4.004 1.00 10.07 C ATOM 543 C GLU A 34 -9.075 -7.681 -4.500 1.00 9.32 C ATOM 544 O GLU A 34 -10.124 -7.724 -3.890 1.00 11.61 O ATOM 545 CB GLU A 34 -7.549 -7.796 -2.647 1.00 14.77 C ATOM 546 CG GLU A 34 -6.855 -8.730 -1.661 1.00 18.75 C ATOM 547 CD GLU A 34 -7.638 -9.983 -1.300 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.836 -10.089 -1.470 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.000 -10.890 -0.682 1.00 25.19 O ATOM 0 H GLU A 34 -6.266 -7.473 -4.854 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.196 -9.480 -3.976 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.904 -6.935 -2.824 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.463 -7.421 -2.187 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.895 -9.029 -2.082 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.644 -8.176 -0.746 1.00 18.75 H new ATOM 556 N GLY A 35 -8.980 -6.942 -5.637 1.00 7.22 N ATOM 557 CA GLY A 35 -10.126 -6.230 -6.229 1.00 6.29 C ATOM 558 C GLY A 35 -10.463 -4.840 -5.768 1.00 6.93 C ATOM 559 O GLY A 35 -11.259 -4.133 -6.370 1.00 7.41 O ATOM 0 H GLY A 35 -8.111 -6.828 -6.159 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.959 -6.184 -7.305 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.010 -6.848 -6.070 1.00 6.29 H new ATOM 563 N ILE A 36 -9.866 -4.434 -4.647 1.00 5.86 N ATOM 564 CA ILE A 36 -10.213 -3.211 -3.970 1.00 6.07 C ATOM 565 C ILE A 36 -9.837 -1.994 -4.862 1.00 6.36 C ATOM 566 O ILE A 36 -8.715 -1.929 -5.256 1.00 6.18 O ATOM 567 CB ILE A 36 -9.528 -3.000 -2.660 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.812 -4.238 -1.736 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.129 -1.724 -1.974 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.041 -4.153 -0.379 1.00 9.49 C ATOM 0 H ILE A 36 -9.122 -4.960 -4.189 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.283 -3.296 -3.781 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.456 -2.878 -2.816 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.882 -4.305 -1.540 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.526 -5.151 -2.258 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.636 -1.560 -1.016 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.972 -0.857 -2.616 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.197 -1.867 -1.813 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.270 -5.031 0.225 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.969 -4.114 -0.572 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.346 -3.254 0.157 1.00 9.49 H new ATOM 582 N PRO A 37 -10.745 -1.027 -5.185 1.00 8.65 N ATOM 583 CA PRO A 37 -10.467 0.038 -6.074 1.00 9.18 C ATOM 584 C PRO A 37 -9.435 0.934 -5.416 1.00 9.85 C ATOM 585 O PRO A 37 -9.557 1.093 -4.227 1.00 8.51 O ATOM 586 CB PRO A 37 -11.783 0.781 -6.305 1.00 11.42 C ATOM 587 CG PRO A 37 -12.785 -0.359 -6.195 1.00 9.27 C ATOM 588 CD PRO A 37 -12.175 -1.195 -5.076 1.00 8.33 C ATOM 0 HA PRO A 37 -10.071 -0.302 -7.031 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.956 1.555 -5.557 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.816 1.266 -7.280 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.784 -0.004 -5.943 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.871 -0.920 -7.125 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.533 -0.863 -4.102 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.453 -2.244 -5.177 1.00 8.33 H new ATOM 596 N PRO A 38 -8.423 1.454 -6.127 1.00 8.71 N ATOM 597 CA PRO A 38 -7.381 2.205 -5.473 1.00 9.08 C ATOM 598 C PRO A 38 -7.830 3.417 -4.787 1.00 9.28 C ATOM 599 O PRO A 38 -7.288 3.746 -3.741 1.00 6.50 O ATOM 600 CB PRO A 38 -6.434 2.530 -6.639 1.00 10.31 C ATOM 601 CG PRO A 38 -7.330 2.493 -7.869 1.00 10.81 C ATOM 602 CD PRO A 38 -8.355 1.465 -7.589 1.00 12.00 C ATOM 0 HA PRO A 38 -6.929 1.638 -4.660 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.969 3.508 -6.514 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.627 1.801 -6.712 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.790 3.465 -8.048 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.758 2.242 -8.762 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.316 1.722 -8.035 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.069 0.491 -7.987 1.00 12.00 H new ATOM 610 N ASP A 39 -8.929 4.079 -5.231 1.00 11.20 N ATOM 611 CA ASP A 39 -9.405 5.319 -4.628 1.00 14.96 C ATOM 612 C ASP A 39 -10.023 5.019 -3.264 1.00 13.99 C ATOM 613 O ASP A 39 -10.273 5.860 -2.407 1.00 13.75 O ATOM 614 CB ASP A 39 -10.467 5.983 -5.489 1.00 24.16 C ATOM 615 CG ASP A 39 -9.823 6.353 -6.883 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.879 7.160 -6.932 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.331 5.902 -7.942 1.00 34.22 O ATOM 0 H ASP A 39 -9.498 3.758 -6.015 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.551 5.989 -4.533 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.315 5.312 -5.629 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.847 6.879 -4.998 1.00 24.16 H new ATOM 622 N GLN A 40 -10.388 3.714 -3.032 1.00 11.60 N ATOM 623 CA GLN A 40 -10.887 3.129 -1.809 1.00 10.76 C ATOM 624 C GLN A 40 -9.765 2.581 -0.920 1.00 8.01 C ATOM 625 O GLN A 40 -9.999 1.996 0.175 1.00 8.96 O ATOM 626 CB GLN A 40 -12.085 2.173 -2.001 1.00 11.14 C ATOM 627 CG GLN A 40 -13.312 2.771 -2.673 1.00 14.85 C ATOM 628 CD GLN A 40 -14.441 1.759 -2.666 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.285 0.511 -2.757 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.701 2.286 -2.500 1.00 18.16 N ATOM 0 H GLN A 40 -10.323 3.018 -3.775 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.323 3.954 -1.245 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.752 1.319 -2.590 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.380 1.791 -1.024 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.619 3.677 -2.151 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.074 3.058 -3.697 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.826 3.296 -2.426 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.510 1.667 -2.450 1.00 18.16 H new ATOM 639 N GLN A 41 -8.497 2.699 -1.278 1.00 6.52 N ATOM 640 CA GLN A 41 -7.378 2.181 -0.457 1.00 3.87 C ATOM 641 C GLN A 41 -6.725 3.339 0.190 1.00 4.79 C ATOM 642 O GLN A 41 -6.342 4.388 -0.443 1.00 6.34 O ATOM 643 CB GLN A 41 -6.408 1.290 -1.224 1.00 4.20 C ATOM 644 CG GLN A 41 -6.923 0.014 -1.854 1.00 3.20 C ATOM 645 CD GLN A 41 -5.867 -0.705 -2.716 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.713 -0.775 -2.273 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.293 -1.155 -3.898 1.00 7.13 N ATOM 0 H GLN A 41 -8.199 3.153 -2.141 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.774 1.508 0.304 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.965 1.893 -2.017 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.602 1.018 -0.542 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.262 -0.661 -1.068 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.791 0.246 -2.472 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.272 -1.044 -4.163 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.640 -1.610 -4.536 1.00 7.13 H new ATOM 656 N ARG A 42 -6.443 3.232 1.505 1.00 5.73 N ATOM 657 CA ARG A 42 -5.509 4.190 2.157 1.00 6.97 C ATOM 658 C ARG A 42 -4.439 3.395 2.761 1.00 7.15 C ATOM 659 O ARG A 42 -4.711 2.490 3.507 1.00 7.33 O ATOM 660 CB ARG A 42 -6.241 4.952 3.275 1.00 13.23 C ATOM 661 CG ARG A 42 -5.382 5.542 4.444 1.00 21.27 C ATOM 662 CD ARG A 42 -6.171 6.470 5.396 1.00 26.14 C ATOM 663 NE ARG A 42 -6.677 7.623 4.665 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.433 8.582 5.241 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.043 8.343 6.387 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.646 9.714 4.585 1.00 36.39 N ATOM 0 H ARG A 42 -6.830 2.520 2.124 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.124 4.906 1.431 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.790 5.774 2.815 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.980 4.279 3.710 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.959 4.720 5.022 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.545 6.098 4.022 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.999 5.923 5.846 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.527 6.800 6.211 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.450 7.710 3.674 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.943 7.433 6.838 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.614 9.068 6.822 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.241 9.851 3.659 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.215 10.448 5.006 1.00 36.39 H new ATOM 680 N LEU A 43 -3.159 3.735 2.398 1.00 4.65 N ATOM 681 CA LEU A 43 -2.068 2.872 2.809 1.00 3.51 C ATOM 682 C LEU A 43 -1.164 3.615 3.822 1.00 5.56 C ATOM 683 O LEU A 43 -1.061 4.843 3.860 1.00 4.19 O ATOM 684 CB LEU A 43 -1.217 2.372 1.599 1.00 3.74 C ATOM 685 CG LEU A 43 -1.935 1.442 0.565 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.933 1.107 -0.564 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.579 0.182 1.244 1.00 6.41 C ATOM 0 H LEU A 43 -2.896 4.556 1.854 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.507 1.992 3.279 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.840 3.245 1.066 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.351 1.839 1.991 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.785 1.961 0.122 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.414 0.459 -1.297 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.611 2.028 -1.050 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.066 0.598 -0.142 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.065 -0.432 0.485 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.803 -0.401 1.740 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.317 0.502 1.979 1.00 6.41 H new ATOM 699 N ILE A 44 -0.605 2.758 4.696 1.00 4.58 N ATOM 700 CA ILE A 44 -0.042 3.049 5.966 1.00 5.55 C ATOM 701 C ILE A 44 1.286 2.248 6.217 1.00 5.46 C ATOM 702 O ILE A 44 1.326 1.029 6.076 1.00 6.04 O ATOM 703 CB ILE A 44 -1.017 2.814 7.172 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.413 3.456 6.995 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.383 3.208 8.518 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.473 4.953 6.992 1.00 13.90 C ATOM 0 H ILE A 44 -0.546 1.762 4.483 1.00 4.58 H new ATOM 0 HA ILE A 44 0.172 4.117 5.924 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.189 1.738 7.184 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.835 3.097 6.056 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.058 3.092 7.795 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.096 3.028 9.323 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.513 2.611 8.687 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.117 4.265 8.499 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.506 5.275 6.861 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.092 5.334 7.939 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.865 5.340 6.174 1.00 13.90 H new ATOM 718 N PHE A 45 2.376 2.940 6.626 1.00 6.75 N ATOM 719 CA PHE A 45 3.588 2.195 6.967 1.00 4.70 C ATOM 720 C PHE A 45 3.972 2.669 8.406 1.00 6.34 C ATOM 721 O PHE A 45 4.174 3.854 8.635 1.00 5.45 O ATOM 722 CB PHE A 45 4.743 2.402 5.982 1.00 5.51 C ATOM 723 CG PHE A 45 5.922 1.652 6.425 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.896 0.246 6.521 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.086 2.279 6.891 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.002 -0.500 6.911 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.252 1.562 7.368 1.00 6.64 C ATOM 728 CZ PHE A 45 8.183 0.142 7.334 1.00 6.84 C ATOM 0 H PHE A 45 2.434 3.954 6.721 1.00 6.75 H new ATOM 0 HA PHE A 45 3.394 1.124 6.917 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.446 2.073 4.986 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.983 3.463 5.909 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.979 -0.273 6.282 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.116 3.359 6.895 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.956 -1.579 6.890 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.128 2.079 7.730 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.038 -0.446 7.633 1.00 6.84 H new ATOM 738 N ALA A 46 4.015 1.752 9.417 1.00 6.53 N ATOM 739 CA ALA A 46 4.306 2.069 10.819 1.00 7.15 C ATOM 740 C ALA A 46 3.386 3.145 11.483 1.00 9.00 C ATOM 741 O ALA A 46 3.834 4.000 12.294 1.00 11.15 O ATOM 742 CB ALA A 46 5.751 2.428 11.119 1.00 8.99 C ATOM 0 H ALA A 46 3.843 0.759 9.261 1.00 6.53 H new ATOM 0 HA ALA A 46 4.082 1.104 11.274 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.859 2.645 12.182 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.397 1.592 10.852 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.036 3.306 10.539 1.00 8.99 H new ATOM 748 N GLY A 47 2.086 3.143 11.135 1.00 9.35 N ATOM 749 CA GLY A 47 1.069 4.160 11.484 1.00 11.68 C ATOM 750 C GLY A 47 1.158 5.409 10.701 1.00 11.14 C ATOM 751 O GLY A 47 0.297 6.265 10.879 1.00 13.93 O ATOM 0 H GLY A 47 1.692 2.390 10.571 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.078 3.728 11.343 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.164 4.402 12.543 1.00 11.68 H new ATOM 755 N LYS A 48 2.127 5.671 9.761 1.00 10.47 N ATOM 756 CA LYS A 48 2.234 6.845 8.998 1.00 8.82 C ATOM 757 C LYS A 48 1.553 6.684 7.687 1.00 7.68 C ATOM 758 O LYS A 48 1.839 5.722 6.930 1.00 6.47 O ATOM 759 CB LYS A 48 3.735 7.210 8.807 1.00 9.74 C ATOM 760 CG LYS A 48 4.012 8.480 7.947 1.00 14.14 C ATOM 761 CD LYS A 48 5.523 8.833 7.819 1.00 16.32 C ATOM 762 CE LYS A 48 5.908 9.687 6.626 1.00 20.04 C ATOM 763 NZ LYS A 48 5.491 11.094 6.880 1.00 23.92 N ATOM 0 H LYS A 48 2.864 4.999 9.547 1.00 10.47 H new ATOM 0 HA LYS A 48 1.741 7.660 9.528 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.184 7.353 9.790 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.241 6.362 8.345 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.597 8.330 6.950 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.486 9.327 8.387 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.833 9.351 8.727 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.090 7.903 7.773 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.984 9.638 6.460 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.428 9.310 5.723 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.752 11.686 6.066 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.461 11.131 7.019 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.968 11.449 7.733 1.00 23.92 H new ATOM 777 N GLN A 49 0.607 7.564 7.498 1.00 8.89 N ATOM 778 CA GLN A 49 -0.098 7.679 6.256 1.00 7.18 C ATOM 779 C GLN A 49 0.774 8.053 4.949 1.00 8.23 C ATOM 780 O GLN A 49 1.609 8.937 4.972 1.00 9.70 O ATOM 781 CB GLN A 49 -1.285 8.618 6.507 1.00 11.67 C ATOM 782 CG GLN A 49 -2.246 8.707 5.306 1.00 15.82 C ATOM 783 CD GLN A 49 -3.615 9.378 5.648 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.375 9.139 6.591 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.889 10.348 4.761 1.00 20.67 N ATOM 0 H GLN A 49 0.303 8.227 8.211 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.435 6.683 5.967 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.836 8.272 7.382 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.910 9.615 6.740 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.764 9.271 4.507 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.429 7.703 4.923 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.247 10.529 3.989 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.739 10.904 4.859 1.00 20.67 H new ATOM 794 N LEU A 50 0.518 7.306 3.838 1.00 6.51 N ATOM 795 CA LEU A 50 1.356 7.417 2.683 1.00 7.41 C ATOM 796 C LEU A 50 0.690 8.174 1.589 1.00 8.27 C ATOM 797 O LEU A 50 -0.496 8.103 1.363 1.00 8.34 O ATOM 798 CB LEU A 50 1.836 5.974 2.229 1.00 7.13 C ATOM 799 CG LEU A 50 2.288 4.957 3.294 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.708 3.647 2.617 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.394 5.520 4.173 1.00 9.11 C ATOM 0 H LEU A 50 -0.253 6.644 3.750 1.00 6.51 H new ATOM 0 HA LEU A 50 2.242 7.996 2.943 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.019 5.519 1.668 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.664 6.109 1.533 1.00 7.13 H new ATOM 0 HG LEU A 50 1.446 4.748 3.954 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.027 2.932 3.375 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.864 3.237 2.063 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.533 3.840 1.931 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.687 4.774 4.912 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.255 5.776 3.555 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.034 6.414 4.683 1.00 9.11 H new ATOM 813 N GLU A 51 1.498 8.914 0.770 1.00 9.43 N ATOM 814 CA GLU A 51 0.925 9.720 -0.320 1.00 11.90 C ATOM 815 C GLU A 51 1.309 9.044 -1.625 1.00 11.49 C ATOM 816 O GLU A 51 2.394 8.490 -1.797 1.00 9.88 O ATOM 817 CB GLU A 51 1.411 11.214 -0.253 1.00 16.56 C ATOM 818 CG GLU A 51 1.050 11.767 1.124 1.00 26.06 C ATOM 819 CD GLU A 51 1.528 13.196 1.237 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.776 13.264 1.416 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.757 14.202 1.102 1.00 32.13 O ATOM 0 H GLU A 51 2.514 8.960 0.850 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.160 9.769 -0.233 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.487 11.272 -0.417 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.937 11.804 -1.037 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.029 11.721 1.274 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.507 11.157 1.903 1.00 26.06 H new ATOM 828 N ASP A 52 0.331 9.038 -2.599 1.00 12.71 N ATOM 829 CA ASP A 52 0.236 8.369 -3.923 1.00 16.56 C ATOM 830 C ASP A 52 1.441 8.485 -4.787 1.00 15.83 C ATOM 831 O ASP A 52 1.931 7.459 -5.329 1.00 17.21 O ATOM 832 CB ASP A 52 -1.057 8.689 -4.753 1.00 21.05 C ATOM 833 CG ASP A 52 -2.278 8.259 -3.984 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.564 7.053 -3.890 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.096 9.105 -3.493 1.00 28.37 O ATOM 0 H ASP A 52 -0.517 9.581 -2.436 1.00 12.71 H new ATOM 0 HA ASP A 52 0.164 7.327 -3.611 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.108 9.757 -4.966 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.021 8.174 -5.713 1.00 21.05 H new ATOM 840 N GLY A 53 2.021 9.712 -4.821 1.00 15.00 N ATOM 841 CA GLY A 53 3.134 10.020 -5.739 1.00 11.77 C ATOM 842 C GLY A 53 4.498 9.900 -5.177 1.00 11.10 C ATOM 843 O GLY A 53 5.430 10.366 -5.831 1.00 11.25 O ATOM 0 H GLY A 53 1.736 10.492 -4.229 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.060 9.358 -6.602 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.003 11.038 -6.106 1.00 11.77 H new ATOM 847 N ARG A 54 4.661 9.249 -4.011 1.00 8.53 N ATOM 848 CA ARG A 54 5.906 8.913 -3.368 1.00 9.05 C ATOM 849 C ARG A 54 6.254 7.426 -3.539 1.00 8.96 C ATOM 850 O ARG A 54 5.422 6.590 -3.811 1.00 11.60 O ATOM 851 CB ARG A 54 5.951 9.305 -1.861 1.00 7.97 C ATOM 852 CG ARG A 54 5.827 10.782 -1.552 1.00 9.62 C ATOM 853 CD ARG A 54 6.948 11.550 -2.146 1.00 12.20 C ATOM 854 NE ARG A 54 6.921 12.922 -1.636 1.00 18.23 N ATOM 855 CZ ARG A 54 7.939 13.775 -1.803 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.090 13.500 -2.504 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.882 15.043 -1.317 1.00 23.38 N ATOM 0 H ARG A 54 3.858 8.929 -3.470 1.00 8.53 H new ATOM 0 HA ARG A 54 6.661 9.512 -3.877 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.148 8.778 -1.346 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.890 8.944 -1.441 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.880 11.159 -1.938 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.813 10.930 -0.472 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.899 11.077 -1.899 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.866 11.553 -3.233 1.00 12.20 H new ATOM 0 HE ARG A 54 6.093 13.241 -1.133 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.214 12.588 -2.944 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.820 14.208 -2.584 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.053 15.360 -0.814 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.668 15.678 -1.455 1.00 23.38 H new ATOM 871 N THR A 55 7.577 7.211 -3.465 1.00 9.05 N ATOM 872 CA THR A 55 8.149 5.865 -3.637 1.00 9.03 C ATOM 873 C THR A 55 8.189 5.159 -2.285 1.00 8.15 C ATOM 874 O THR A 55 8.375 5.734 -1.162 1.00 5.91 O ATOM 875 CB THR A 55 9.566 5.812 -4.322 1.00 11.15 C ATOM 876 OG1 THR A 55 10.557 6.279 -3.442 1.00 11.95 O ATOM 877 CG2 THR A 55 9.772 6.593 -5.625 1.00 11.71 C ATOM 0 H THR A 55 8.265 7.943 -3.289 1.00 9.05 H new ATOM 0 HA THR A 55 7.488 5.351 -4.335 1.00 9.03 H new ATOM 0 HB THR A 55 9.639 4.755 -4.577 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.500 7.255 -3.373 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.796 6.458 -5.972 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.080 6.225 -6.383 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.586 7.652 -5.448 1.00 11.71 H new ATOM 885 N LEU A 56 8.262 3.809 -2.450 1.00 6.91 N ATOM 886 CA LEU A 56 8.521 2.864 -1.343 1.00 8.29 C ATOM 887 C LEU A 56 9.848 3.182 -0.594 1.00 8.05 C ATOM 888 O LEU A 56 9.939 3.180 0.655 1.00 10.17 O ATOM 889 CB LEU A 56 8.507 1.446 -1.960 1.00 6.60 C ATOM 890 CG LEU A 56 7.047 1.008 -2.352 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.090 -0.408 -2.904 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.058 1.002 -1.209 1.00 8.64 C ATOM 0 H LEU A 56 8.142 3.353 -3.355 1.00 6.91 H new ATOM 0 HA LEU A 56 7.752 2.949 -0.576 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.145 1.425 -2.844 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.924 0.733 -1.249 1.00 6.60 H new ATOM 0 HG LEU A 56 6.707 1.749 -3.076 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.083 -0.722 -3.179 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.732 -0.436 -3.784 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.486 -1.083 -2.145 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.081 0.687 -1.575 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.397 0.310 -0.438 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.982 2.005 -0.788 1.00 8.64 H new ATOM 904 N SER A 57 10.908 3.601 -1.399 1.00 8.92 N ATOM 905 CA SER A 57 12.170 4.040 -0.879 1.00 9.00 C ATOM 906 C SER A 57 12.172 5.306 -0.032 1.00 9.44 C ATOM 907 O SER A 57 12.959 5.461 0.889 1.00 10.91 O ATOM 908 CB SER A 57 13.216 4.368 -1.934 1.00 10.32 C ATOM 909 OG SER A 57 14.553 4.442 -1.454 1.00 13.59 O ATOM 0 H SER A 57 10.857 3.624 -2.417 1.00 8.92 H new ATOM 0 HA SER A 57 12.398 3.157 -0.283 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.169 3.612 -2.718 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.958 5.322 -2.395 1.00 10.32 H new ATOM 0 HG SER A 57 15.156 4.655 -2.197 1.00 13.59 H new ATOM 915 N ASP A 58 11.291 6.262 -0.291 1.00 9.11 N ATOM 916 CA ASP A 58 11.168 7.468 0.483 1.00 7.91 C ATOM 917 C ASP A 58 10.529 7.112 1.852 1.00 9.12 C ATOM 918 O ASP A 58 10.794 7.812 2.861 1.00 8.61 O ATOM 919 CB ASP A 58 10.160 8.458 -0.134 1.00 8.41 C ATOM 920 CG ASP A 58 10.633 8.720 -1.552 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.790 9.123 -1.726 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.766 8.625 -2.475 1.00 10.05 O ATOM 0 H ASP A 58 10.630 6.210 -1.066 1.00 9.11 H new ATOM 0 HA ASP A 58 12.166 7.902 0.540 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.153 8.040 -0.131 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.123 9.383 0.441 1.00 8.41 H new ATOM 927 N TYR A 59 9.726 5.990 1.945 1.00 7.97 N ATOM 928 CA TYR A 59 9.264 5.532 3.257 1.00 8.45 C ATOM 929 C TYR A 59 10.082 4.443 3.822 1.00 10.98 C ATOM 930 O TYR A 59 9.712 3.994 4.892 1.00 12.95 O ATOM 931 CB TYR A 59 7.773 4.999 3.310 1.00 7.94 C ATOM 932 CG TYR A 59 6.898 6.137 2.780 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.554 7.224 3.556 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.464 6.137 1.459 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.781 8.249 3.069 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.659 7.156 0.931 1.00 6.52 C ATOM 937 CZ TYR A 59 5.285 8.197 1.771 1.00 6.76 C ATOM 938 OH TYR A 59 4.426 9.236 1.267 1.00 7.63 O ATOM 0 H TYR A 59 9.413 5.429 1.153 1.00 7.97 H new ATOM 0 HA TYR A 59 9.350 6.452 3.835 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.658 4.102 2.701 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.490 4.732 4.328 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.903 7.270 4.577 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.758 5.321 0.815 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.557 9.099 3.697 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.339 7.132 -0.100 1.00 6.52 H new ATOM 0 HH TYR A 59 4.898 10.094 1.298 1.00 7.63 H new ATOM 948 N ASN A 60 11.125 3.948 3.121 1.00 12.38 N ATOM 949 CA ASN A 60 12.235 3.197 3.681 1.00 13.94 C ATOM 950 C ASN A 60 11.780 1.752 3.813 1.00 14.16 C ATOM 951 O ASN A 60 12.153 0.993 4.700 1.00 14.26 O ATOM 952 CB ASN A 60 12.732 3.752 5.063 1.00 19.23 C ATOM 953 CG ASN A 60 13.171 5.235 4.987 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.500 6.138 5.504 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.372 5.512 4.429 1.00 24.09 N ATOM 0 H ASN A 60 11.206 4.073 2.112 1.00 12.38 H new ATOM 0 HA ASN A 60 13.092 3.288 3.014 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.934 3.650 5.799 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.568 3.147 5.414 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.728 6.468 4.433 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.921 4.765 4.004 1.00 24.09 H new ATOM 962 N ILE A 61 10.843 1.346 2.999 1.00 11.08 N ATOM 963 CA ILE A 61 10.312 -0.004 2.943 1.00 11.78 C ATOM 964 C ILE A 61 11.405 -1.042 2.546 1.00 13.74 C ATOM 965 O ILE A 61 12.276 -0.851 1.686 1.00 14.60 O ATOM 966 CB ILE A 61 9.065 0.011 2.071 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.942 0.701 2.977 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.621 -1.297 1.455 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.785 1.238 2.232 1.00 11.42 C ATOM 0 H ILE A 61 10.404 1.971 2.323 1.00 11.08 H new ATOM 0 HA ILE A 61 10.002 -0.347 3.930 1.00 11.78 H new ATOM 0 HB ILE A 61 9.285 0.564 1.158 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.582 -0.029 3.702 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.400 1.513 3.542 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.721 -1.133 0.862 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.413 -1.685 0.814 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.408 -2.017 2.245 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.078 1.686 2.931 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.126 1.995 1.526 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.295 0.430 1.688 1.00 11.42 H new ATOM 981 N GLN A 62 11.396 -2.234 3.240 1.00 13.97 N ATOM 982 CA GLN A 62 12.471 -3.238 3.102 1.00 15.52 C ATOM 983 C GLN A 62 11.867 -4.548 2.726 1.00 13.94 C ATOM 984 O GLN A 62 10.649 -4.721 2.487 1.00 12.15 O ATOM 985 CB GLN A 62 13.294 -3.341 4.421 1.00 19.53 C ATOM 986 CG GLN A 62 13.985 -2.017 4.803 1.00 26.38 C ATOM 987 CD GLN A 62 15.072 -1.588 3.774 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.790 -2.398 3.185 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.174 -0.232 3.516 1.00 32.71 N ATOM 0 H GLN A 62 10.657 -2.503 3.889 1.00 13.97 H new ATOM 0 HA GLN A 62 13.162 -2.935 2.316 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.634 -3.647 5.232 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.048 -4.120 4.313 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.235 -1.230 4.882 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.443 -2.121 5.787 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.574 0.428 4.011 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.850 0.107 2.831 1.00 32.71 H new ATOM 998 N LYS A 63 12.737 -5.607 2.529 1.00 11.73 N ATOM 999 CA LYS A 63 12.372 -6.990 2.287 1.00 11.97 C ATOM 1000 C LYS A 63 11.485 -7.447 3.409 1.00 10.41 C ATOM 1001 O LYS A 63 11.822 -7.395 4.606 1.00 9.59 O ATOM 1002 CB LYS A 63 13.572 -7.879 2.108 1.00 13.73 C ATOM 1003 CG LYS A 63 13.375 -9.422 1.940 1.00 16.98 C ATOM 1004 CD LYS A 63 14.571 -10.216 1.503 1.00 20.19 C ATOM 1005 CE LYS A 63 15.859 -10.107 2.464 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.023 -10.862 1.941 1.00 25.97 N ATOM 0 H LYS A 63 13.748 -5.474 2.542 1.00 11.73 H new ATOM 0 HA LYS A 63 11.828 -7.059 1.345 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.114 -7.523 1.232 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.222 -7.726 2.969 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.029 -9.825 2.892 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.577 -9.585 1.216 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.282 -11.264 1.427 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.856 -9.891 0.502 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.133 -9.059 2.581 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.602 -10.482 3.455 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.825 -10.760 2.595 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.773 -11.868 1.853 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.288 -10.488 1.007 1.00 25.97 H new ATOM 1020 N GLU A 64 10.308 -7.995 3.059 1.00 10.04 N ATOM 1021 CA GLU A 64 9.368 -8.626 3.941 1.00 10.94 C ATOM 1022 C GLU A 64 8.807 -7.699 4.998 1.00 9.74 C ATOM 1023 O GLU A 64 8.313 -8.218 6.014 1.00 9.42 O ATOM 1024 CB GLU A 64 9.977 -9.997 4.439 1.00 18.31 C ATOM 1025 CG GLU A 64 10.063 -11.063 3.307 1.00 24.16 C ATOM 1026 CD GLU A 64 11.012 -12.195 3.572 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.649 -13.129 4.317 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.127 -12.149 2.996 1.00 32.61 O ATOM 0 H GLU A 64 9.989 -7.998 2.090 1.00 10.04 H new ATOM 0 HA GLU A 64 8.457 -8.877 3.398 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.974 -9.821 4.844 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.366 -10.386 5.254 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.068 -11.475 3.140 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.362 -10.567 2.384 1.00 24.16 H new ATOM 1035 N SER A 65 8.820 -6.364 4.709 1.00 6.85 N ATOM 1036 CA SER A 65 8.231 -5.338 5.554 1.00 6.90 C ATOM 1037 C SER A 65 6.745 -5.397 5.459 1.00 4.72 C ATOM 1038 O SER A 65 6.051 -5.783 4.450 1.00 3.91 O ATOM 1039 CB SER A 65 8.554 -3.888 5.083 1.00 7.28 C ATOM 1040 OG SER A 65 10.001 -3.623 5.257 1.00 10.56 O ATOM 0 H SER A 65 9.252 -5.989 3.865 1.00 6.85 H new ATOM 0 HA SER A 65 8.635 -5.532 6.548 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.274 -3.763 4.037 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.970 -3.169 5.658 1.00 7.28 H new ATOM 0 HG SER A 65 10.125 -2.746 5.676 1.00 10.56 H new ATOM 1046 N THR A 66 6.089 -4.938 6.563 1.00 4.48 N ATOM 1047 CA THR A 66 4.646 -4.923 6.773 1.00 3.80 C ATOM 1048 C THR A 66 4.119 -3.556 6.523 1.00 4.60 C ATOM 1049 O THR A 66 4.470 -2.604 7.250 1.00 5.33 O ATOM 1050 CB THR A 66 4.380 -5.318 8.228 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.989 -6.551 8.491 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.886 -5.558 8.302 1.00 3.40 C ATOM 0 H THR A 66 6.596 -4.553 7.360 1.00 4.48 H new ATOM 0 HA THR A 66 4.154 -5.618 6.092 1.00 3.80 H new ATOM 0 HB THR A 66 4.746 -4.560 8.921 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.822 -6.806 9.422 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.614 -5.847 9.317 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.357 -4.645 8.030 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.611 -6.356 7.612 1.00 3.40 H new ATOM 1060 N LEU A 67 3.222 -3.340 5.537 1.00 4.17 N ATOM 1061 CA LEU A 67 2.325 -2.183 5.369 1.00 3.85 C ATOM 1062 C LEU A 67 1.051 -2.478 6.055 1.00 3.80 C ATOM 1063 O LEU A 67 0.726 -3.642 6.342 1.00 5.54 O ATOM 1064 CB LEU A 67 2.139 -1.815 3.828 1.00 7.18 C ATOM 1065 CG LEU A 67 3.287 -1.186 3.040 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.582 -1.983 3.038 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.871 -1.014 1.602 1.00 11.66 C ATOM 0 H LEU A 67 3.099 -4.019 4.786 1.00 4.17 H new ATOM 0 HA LEU A 67 2.762 -1.295 5.825 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.856 -2.731 3.310 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.290 -1.135 3.759 1.00 7.18 H new ATOM 0 HG LEU A 67 3.489 -0.242 3.546 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.334 -1.454 2.453 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.937 -2.103 4.062 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.405 -2.964 2.598 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.689 -0.565 1.038 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.627 -1.987 1.175 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.996 -0.365 1.551 1.00 11.66 H new ATOM 1079 N HIS A 68 0.271 -1.482 6.288 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.160 -1.574 6.615 1.00 4.17 C ATOM 1081 C HIS A 68 -2.036 -0.867 5.589 1.00 5.32 C ATOM 1082 O HIS A 68 -1.628 0.062 4.878 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.508 -1.061 7.981 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.185 -2.099 9.001 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.162 -3.018 9.434 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.065 -2.478 9.626 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.615 -3.859 10.309 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.309 -3.583 10.432 1.00 16.30 N ATOM 0 H HIS A 68 0.604 -0.518 6.261 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.364 -2.645 6.597 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.953 -0.146 8.190 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.567 -0.808 8.027 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.894 -1.993 9.519 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.141 -4.641 10.837 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.371 -4.085 11.004 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.231 -1.394 5.352 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.213 -0.891 4.483 1.00 3.97 C ATOM 1098 C LEU A 69 -5.475 -0.628 5.319 1.00 5.07 C ATOM 1099 O LEU A 69 -5.903 -1.480 6.108 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.630 -1.975 3.454 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.965 -1.860 2.760 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.057 -0.589 1.935 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.145 -2.908 1.636 1.00 9.96 C ATOM 0 H LEU A 69 -3.533 -2.252 5.814 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.822 -0.005 3.983 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.861 -2.007 2.682 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.608 -2.937 3.965 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.680 -1.945 3.578 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.032 -0.540 1.450 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.931 0.277 2.585 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.274 -0.590 1.177 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.123 -2.779 1.171 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.366 -2.774 0.886 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.074 -3.910 2.058 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.100 0.555 5.138 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.455 0.808 5.652 1.00 6.26 C ATOM 1117 C VAL A 70 -8.275 1.244 4.558 1.00 9.22 C ATOM 1118 O VAL A 70 -7.770 1.978 3.699 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.503 1.955 6.732 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.666 1.516 7.675 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.217 2.218 7.499 1.00 8.54 C ATOM 0 H VAL A 70 -5.687 1.344 4.641 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.799 -0.118 6.112 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.654 2.918 6.244 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.787 2.251 8.471 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.591 1.445 7.103 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.434 0.544 8.111 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.377 3.028 8.211 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.922 1.316 8.036 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.428 2.499 6.801 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.489 0.826 4.440 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.401 1.324 3.402 1.00 16.06 C ATOM 1133 C LEU A 71 -10.712 2.827 3.546 1.00 18.09 C ATOM 1134 O LEU A 71 -10.791 3.386 4.611 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.665 0.527 3.321 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.463 -0.894 2.893 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.772 -1.726 2.802 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.819 -0.879 1.447 1.00 19.57 C ATOM 0 H LEU A 71 -9.904 0.124 5.053 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.865 1.194 2.462 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.151 0.536 4.296 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.345 1.013 2.621 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.833 -1.361 3.650 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.536 -2.742 2.486 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.255 -1.753 3.779 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.445 -1.267 2.077 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.660 -1.903 1.109 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.489 -0.368 0.756 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.864 -0.355 1.480 1.00 19.57 H new