USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0.386 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -132:sc= 0.939 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.809 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.0977 (180deg=-0.114) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.24 (180deg=0.597) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.963 (180deg=0.143) 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= 0.0755 USER MOD Single : A 25 ASN : amide:sc= 0.896 K(o=0.9,f=-0.76) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 2.36 (180deg=2.09) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 2.22 (180deg=1.97) USER MOD Single : A 31 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.87) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-2.5!) 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 55 THR OG1 : rot -76:sc= 1.01 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc=-0.00247 (180deg=-0.067) USER MOD Single : A 65 SER OG : rot 109:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.325 -6.548 -4.298 1.00 9.67 N ATOM 2 CA MET A 1 12.143 -7.173 -2.986 1.00 10.38 C ATOM 3 C MET A 1 10.726 -7.516 -2.744 1.00 9.62 C ATOM 4 O MET A 1 9.863 -7.046 -3.495 1.00 9.62 O ATOM 5 CB MET A 1 12.633 -6.110 -1.934 1.00 13.77 C ATOM 6 CG MET A 1 11.716 -4.887 -1.859 1.00 16.29 C ATOM 7 SD MET A 1 12.347 -3.542 -0.833 1.00 17.17 S ATOM 8 CE MET A 1 10.911 -2.368 -1.093 1.00 16.11 C ATOM 0 H1 MET A 1 13.128 -5.889 -4.260 1.00 9.67 H new ATOM 0 H2 MET A 1 12.513 -7.283 -5.009 1.00 9.67 H new ATOM 0 H3 MET A 1 11.463 -6.028 -4.557 1.00 9.67 H new ATOM 0 HA MET A 1 12.704 -8.105 -2.918 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.690 -6.577 -0.951 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.642 -5.787 -2.192 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.550 -4.510 -2.868 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.746 -5.199 -1.472 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.113 -1.427 -0.582 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.782 -2.181 -2.159 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.001 -2.812 -0.690 1.00 16.11 H new ATOM 20 N GLN A 2 10.435 -8.299 -1.701 1.00 9.27 N ATOM 21 CA GLN A 2 9.022 -8.637 -1.317 1.00 9.07 C ATOM 22 C GLN A 2 8.525 -7.799 -0.146 1.00 8.72 C ATOM 23 O GLN A 2 9.307 -7.421 0.745 1.00 8.22 O ATOM 24 CB GLN A 2 8.808 -10.200 -1.096 1.00 14.46 C ATOM 25 CG GLN A 2 9.688 -10.717 0.070 1.00 17.01 C ATOM 26 CD GLN A 2 9.839 -12.234 0.225 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.628 -12.707 1.347 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.223 -13.006 -0.805 1.00 19.49 N ATOM 0 H GLN A 2 11.142 -8.719 -1.097 1.00 9.27 H new ATOM 0 HA GLN A 2 8.396 -8.368 -2.168 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.758 -10.401 -0.882 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.056 -10.738 -2.011 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.684 -10.290 -0.046 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.279 -10.323 1.000 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.390 -12.589 -1.721 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.347 -14.010 -0.672 1.00 19.49 H new ATOM 37 N ILE A 3 7.221 -7.467 -0.047 1.00 5.87 N ATOM 38 CA ILE A 3 6.525 -6.744 1.049 1.00 5.07 C ATOM 39 C ILE A 3 5.175 -7.360 1.258 1.00 4.01 C ATOM 40 O ILE A 3 4.759 -8.217 0.505 1.00 4.61 O ATOM 41 CB ILE A 3 6.370 -5.244 0.809 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.511 -4.976 -0.377 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.775 -4.589 0.877 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.077 -3.475 -0.460 1.00 10.83 C ATOM 0 H ILE A 3 6.570 -7.716 -0.791 1.00 5.87 H new ATOM 0 HA ILE A 3 7.152 -6.843 1.935 1.00 5.07 H new ATOM 0 HB ILE A 3 5.803 -4.743 1.594 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.051 -5.248 -1.284 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.624 -5.608 -0.332 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.685 -3.516 0.708 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.212 -4.766 1.860 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.417 -5.024 0.111 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.452 -3.325 -1.340 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.514 -3.209 0.435 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.963 -2.844 -0.532 1.00 10.83 H new ATOM 56 N PHE A 4 4.513 -6.965 2.383 1.00 4.55 N ATOM 57 CA PHE A 4 3.239 -7.462 2.792 1.00 4.68 C ATOM 58 C PHE A 4 2.274 -6.340 3.041 1.00 5.30 C ATOM 59 O PHE A 4 2.695 -5.316 3.528 1.00 5.58 O ATOM 60 CB PHE A 4 3.349 -8.290 4.088 1.00 4.83 C ATOM 61 CG PHE A 4 4.490 -9.285 4.112 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.729 -10.194 3.062 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.451 -9.207 5.155 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.856 -11.026 3.080 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.611 -10.044 5.116 1.00 10.61 C ATOM 66 CZ PHE A 4 6.816 -10.945 4.109 1.00 8.90 C ATOM 0 H PHE A 4 4.894 -6.270 3.025 1.00 4.55 H new ATOM 0 HA PHE A 4 2.877 -8.092 1.980 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.463 -7.607 4.930 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.413 -8.828 4.239 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.036 -10.250 2.235 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.307 -8.519 5.974 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.992 -11.746 2.287 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.345 -9.961 5.904 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.691 -11.578 4.102 1.00 8.90 H new ATOM 76 N VAL A 5 0.996 -6.528 2.643 1.00 4.44 N ATOM 77 CA VAL A 5 -0.015 -5.571 2.711 1.00 3.87 C ATOM 78 C VAL A 5 -1.109 -6.220 3.545 1.00 4.93 C ATOM 79 O VAL A 5 -1.768 -7.201 3.215 1.00 6.84 O ATOM 80 CB VAL A 5 -0.681 -5.199 1.344 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.857 -4.135 1.507 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.438 -4.605 0.548 1.00 9.13 C ATOM 0 H VAL A 5 0.674 -7.414 2.253 1.00 4.44 H new ATOM 0 HA VAL A 5 0.424 -4.654 3.103 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.140 -6.070 0.877 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.284 -3.912 0.529 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.631 -4.545 2.156 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.461 -3.220 1.947 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.069 -4.310 -0.434 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.829 -3.730 1.067 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.233 -5.342 0.431 1.00 9.13 H new ATOM 92 N LYS A 6 -1.330 -5.681 4.802 1.00 6.04 N ATOM 93 CA LYS A 6 -2.196 -6.346 5.765 1.00 6.12 C ATOM 94 C LYS A 6 -3.590 -5.695 5.780 1.00 6.57 C ATOM 95 O LYS A 6 -3.688 -4.500 5.924 1.00 5.76 O ATOM 96 CB LYS A 6 -1.588 -6.318 7.217 1.00 7.45 C ATOM 97 CG LYS A 6 -2.149 -7.205 8.373 1.00 11.12 C ATOM 98 CD LYS A 6 -1.746 -8.665 8.169 1.00 14.54 C ATOM 99 CE LYS A 6 -2.245 -9.522 9.452 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.979 -10.895 9.343 1.00 20.55 N ATOM 0 H LYS A 6 -0.916 -4.809 5.133 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.283 -7.386 5.451 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.531 -6.564 7.118 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.644 -5.285 7.560 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.771 -6.847 9.331 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.235 -7.123 8.409 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.193 -9.057 7.255 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.665 -8.747 8.056 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.760 -9.136 10.348 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.317 -9.376 9.582 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.834 -11.435 9.585 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.694 -11.117 8.368 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.211 -11.153 9.995 1.00 20.55 H new ATOM 114 N THR A 7 -4.704 -6.424 5.806 1.00 7.41 N ATOM 115 CA THR A 7 -6.078 -5.921 5.927 1.00 7.48 C ATOM 116 C THR A 7 -6.511 -5.767 7.367 1.00 8.75 C ATOM 117 O THR A 7 -5.860 -6.344 8.265 1.00 8.58 O ATOM 118 CB THR A 7 -7.084 -6.619 5.051 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.481 -7.869 5.574 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.458 -6.727 3.665 1.00 9.17 C ATOM 0 H THR A 7 -4.674 -7.441 5.740 1.00 7.41 H new ATOM 0 HA THR A 7 -6.051 -4.913 5.514 1.00 7.48 H new ATOM 0 HB THR A 7 -8.010 -6.047 5.001 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.135 -8.283 4.972 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.152 -7.228 2.990 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.240 -5.729 3.285 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.534 -7.301 3.727 1.00 9.17 H new ATOM 128 N LEU A 8 -7.616 -4.989 7.659 1.00 9.84 N ATOM 129 CA LEU A 8 -8.230 -4.828 8.979 1.00 14.15 C ATOM 130 C LEU A 8 -8.797 -6.115 9.579 1.00 17.37 C ATOM 131 O LEU A 8 -8.852 -6.313 10.779 1.00 17.01 O ATOM 132 CB LEU A 8 -9.307 -3.719 8.867 1.00 16.63 C ATOM 133 CG LEU A 8 -10.102 -3.317 10.079 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.279 -2.619 11.160 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.230 -2.385 9.666 1.00 18.59 C ATOM 0 H LEU A 8 -8.098 -4.451 6.939 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.448 -4.542 9.682 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.812 -2.823 8.492 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.018 -4.034 8.103 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.479 -4.246 10.507 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.925 -2.362 12.000 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.488 -3.286 11.502 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.837 -1.711 10.751 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.804 -2.096 10.546 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.813 -1.494 9.196 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.883 -2.896 8.959 1.00 18.59 H new ATOM 147 N THR A 9 -9.259 -6.932 8.657 1.00 18.33 N ATOM 148 CA THR A 9 -9.788 -8.209 9.012 1.00 19.24 C ATOM 149 C THR A 9 -8.745 -9.326 8.937 1.00 19.48 C ATOM 150 O THR A 9 -9.012 -10.508 8.784 1.00 23.14 O ATOM 151 CB THR A 9 -11.084 -8.426 8.175 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.854 -8.329 6.774 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.108 -7.369 8.571 1.00 19.70 C ATOM 0 H THR A 9 -9.274 -6.725 7.658 1.00 18.33 H new ATOM 0 HA THR A 9 -10.066 -8.241 10.065 1.00 19.24 H new ATOM 0 HB THR A 9 -11.444 -9.433 8.385 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.696 -8.474 6.293 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.020 -7.511 7.991 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.335 -7.462 9.633 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.702 -6.377 8.372 1.00 19.70 H new ATOM 161 N GLY A 10 -7.447 -8.939 8.970 1.00 19.43 N ATOM 162 CA GLY A 10 -6.382 -9.776 9.233 1.00 18.74 C ATOM 163 C GLY A 10 -5.910 -10.644 8.133 1.00 17.62 C ATOM 164 O GLY A 10 -5.133 -11.567 8.327 1.00 19.74 O ATOM 0 H GLY A 10 -7.161 -7.975 8.798 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.543 -9.161 9.560 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.655 -10.415 10.073 1.00 18.74 H new ATOM 168 N LYS A 11 -6.196 -10.264 6.879 1.00 13.56 N ATOM 169 CA LYS A 11 -5.684 -10.965 5.726 1.00 11.91 C ATOM 170 C LYS A 11 -4.299 -10.404 5.337 1.00 10.18 C ATOM 171 O LYS A 11 -4.002 -9.220 5.405 1.00 9.10 O ATOM 172 CB LYS A 11 -6.658 -11.030 4.575 1.00 13.43 C ATOM 173 CG LYS A 11 -6.159 -11.815 3.363 1.00 16.69 C ATOM 174 CD LYS A 11 -7.099 -11.690 2.110 1.00 17.92 C ATOM 175 CE LYS A 11 -6.664 -12.399 0.873 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.647 -12.341 -0.263 1.00 21.93 N ATOM 0 H LYS A 11 -6.787 -9.464 6.652 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.550 -12.010 6.006 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.586 -11.481 4.927 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.897 -10.014 4.260 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.162 -11.464 3.097 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.065 -12.867 3.634 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.086 -12.062 2.386 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.212 -10.632 1.874 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.718 -11.972 0.539 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.473 -13.444 1.117 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.167 -12.594 -1.150 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.423 -13.011 -0.085 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.032 -11.378 -0.340 1.00 21.93 H new ATOM 190 N THR A 12 -3.341 -11.243 4.962 1.00 9.63 N ATOM 191 CA THR A 12 -1.968 -10.942 4.747 1.00 9.85 C ATOM 192 C THR A 12 -1.612 -11.056 3.272 1.00 11.66 C ATOM 193 O THR A 12 -1.689 -12.150 2.759 1.00 12.33 O ATOM 194 CB THR A 12 -0.942 -11.856 5.465 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.118 -11.993 6.829 1.00 10.91 O ATOM 196 CG2 THR A 12 0.414 -11.134 5.390 1.00 9.63 C ATOM 0 H THR A 12 -3.542 -12.228 4.792 1.00 9.63 H new ATOM 0 HA THR A 12 -1.888 -9.935 5.155 1.00 9.85 H new ATOM 0 HB THR A 12 -1.036 -12.829 4.983 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.427 -12.587 7.190 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.176 -11.738 5.883 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.689 -10.985 4.346 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.339 -10.167 5.887 1.00 9.63 H new ATOM 204 N ILE A 13 -1.334 -10.022 2.537 1.00 10.42 N ATOM 205 CA ILE A 13 -1.074 -10.088 1.047 1.00 11.84 C ATOM 206 C ILE A 13 0.338 -9.746 0.708 1.00 10.55 C ATOM 207 O ILE A 13 0.859 -8.770 1.197 1.00 11.92 O ATOM 208 CB ILE A 13 -1.958 -9.104 0.302 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.450 -9.163 0.854 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.917 -9.538 -1.183 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.554 -8.289 0.141 1.00 16.46 C ATOM 0 H ILE A 13 -1.270 -9.077 2.916 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.289 -11.115 0.750 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.609 -8.079 0.431 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.776 -10.203 0.817 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.426 -8.874 1.905 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.537 -8.866 -1.776 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.890 -9.498 -1.545 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.295 -10.556 -1.275 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.514 -8.441 0.635 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.278 -7.236 0.199 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.634 -8.586 -0.905 1.00 16.46 H new ATOM 223 N THR A 14 1.025 -10.674 -0.044 1.00 9.39 N ATOM 224 CA THR A 14 2.420 -10.592 -0.430 1.00 9.63 C ATOM 225 C THR A 14 2.591 -10.022 -1.813 1.00 11.20 C ATOM 226 O THR A 14 1.847 -10.411 -2.660 1.00 11.63 O ATOM 227 CB THR A 14 3.115 -11.936 -0.485 1.00 10.38 C ATOM 228 OG1 THR A 14 3.102 -12.658 0.744 1.00 16.30 O ATOM 229 CG2 THR A 14 4.632 -11.786 -0.798 1.00 11.66 C ATOM 0 H THR A 14 0.575 -11.519 -0.395 1.00 9.39 H new ATOM 0 HA THR A 14 2.857 -9.958 0.342 1.00 9.63 H new ATOM 0 HB THR A 14 2.555 -12.464 -1.256 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.567 -13.512 0.626 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.096 -12.772 -0.829 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.758 -11.295 -1.763 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.106 -11.186 -0.021 1.00 11.66 H new ATOM 237 N LEU A 15 3.386 -8.959 -1.981 1.00 8.29 N ATOM 238 CA LEU A 15 3.476 -8.170 -3.180 1.00 9.03 C ATOM 239 C LEU A 15 4.964 -8.308 -3.507 1.00 8.59 C ATOM 240 O LEU A 15 5.813 -8.601 -2.615 1.00 7.79 O ATOM 241 CB LEU A 15 3.070 -6.727 -3.117 1.00 11.08 C ATOM 242 CG LEU A 15 1.592 -6.406 -2.718 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.422 -4.905 -2.876 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.641 -7.212 -3.586 1.00 15.27 C ATOM 0 H LEU A 15 4.005 -8.624 -1.243 1.00 8.29 H new ATOM 0 HA LEU A 15 2.761 -8.531 -3.920 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.726 -6.224 -2.407 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.258 -6.282 -4.094 1.00 11.08 H new ATOM 0 HG LEU A 15 1.363 -6.685 -1.689 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.403 -4.624 -2.609 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.124 -4.388 -2.221 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.617 -4.624 -3.911 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.388 -6.986 -3.305 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.797 -6.953 -4.633 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.831 -8.276 -3.443 1.00 15.27 H new ATOM 256 N GLU A 16 5.370 -8.068 -4.785 1.00 11.04 N ATOM 257 CA GLU A 16 6.740 -7.868 -5.177 1.00 11.50 C ATOM 258 C GLU A 16 6.938 -6.474 -5.659 1.00 10.13 C ATOM 259 O GLU A 16 6.192 -5.948 -6.448 1.00 9.83 O ATOM 260 CB GLU A 16 7.126 -8.775 -6.409 1.00 17.22 C ATOM 261 CG GLU A 16 8.591 -8.725 -6.724 1.00 23.33 C ATOM 262 CD GLU A 16 9.230 -9.910 -7.490 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.641 -10.220 -8.570 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.242 -10.561 -7.082 1.00 28.90 O ATOM 0 H GLU A 16 4.717 -8.013 -5.567 1.00 11.04 H new ATOM 0 HA GLU A 16 7.345 -8.103 -4.301 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.838 -9.805 -6.202 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.559 -8.455 -7.283 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.773 -7.820 -7.304 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.128 -8.613 -5.782 1.00 23.33 H new ATOM 271 N VAL A 17 7.934 -5.736 -5.094 1.00 8.99 N ATOM 272 CA VAL A 17 8.082 -4.281 -5.127 1.00 8.85 C ATOM 273 C VAL A 17 9.595 -3.949 -5.369 1.00 8.04 C ATOM 274 O VAL A 17 10.485 -4.554 -4.885 1.00 8.99 O ATOM 275 CB VAL A 17 7.545 -3.494 -3.999 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.993 -3.555 -3.983 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.076 -3.995 -2.611 1.00 10.54 C ATOM 0 H VAL A 17 8.692 -6.182 -4.577 1.00 8.99 H new ATOM 0 HA VAL A 17 7.436 -3.958 -5.943 1.00 8.85 H new ATOM 0 HB VAL A 17 7.886 -2.470 -4.150 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.614 -2.970 -3.145 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.603 -3.148 -4.916 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.671 -4.591 -3.877 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.651 -3.382 -1.816 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.784 -5.035 -2.464 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.163 -3.916 -2.587 1.00 10.54 H new ATOM 287 N GLU A 18 9.806 -2.854 -6.128 1.00 7.29 N ATOM 288 CA GLU A 18 11.146 -2.268 -6.337 1.00 7.08 C ATOM 289 C GLU A 18 11.236 -1.103 -5.298 1.00 6.45 C ATOM 290 O GLU A 18 10.168 -0.571 -5.039 1.00 5.28 O ATOM 291 CB GLU A 18 11.333 -1.679 -7.792 1.00 10.28 C ATOM 292 CG GLU A 18 12.781 -1.221 -8.058 1.00 12.65 C ATOM 293 CD GLU A 18 13.867 -2.347 -8.046 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.542 -3.491 -8.520 1.00 14.33 O ATOM 295 OE2 GLU A 18 15.018 -2.010 -7.636 1.00 18.17 O ATOM 0 H GLU A 18 9.059 -2.354 -6.610 1.00 7.29 H new ATOM 0 HA GLU A 18 11.917 -3.029 -6.216 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.053 -2.435 -8.526 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.657 -0.835 -7.929 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.812 -0.724 -9.027 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.049 -0.476 -7.309 1.00 12.65 H new ATOM 302 N PRO A 19 12.318 -0.631 -4.708 1.00 7.24 N ATOM 303 CA PRO A 19 12.245 0.543 -3.814 1.00 7.07 C ATOM 304 C PRO A 19 11.852 1.840 -4.469 1.00 6.65 C ATOM 305 O PRO A 19 11.527 2.836 -3.790 1.00 6.37 O ATOM 306 CB PRO A 19 13.677 0.673 -3.268 1.00 7.61 C ATOM 307 CG PRO A 19 14.241 -0.781 -3.321 1.00 8.16 C ATOM 308 CD PRO A 19 13.499 -1.405 -4.517 1.00 7.49 C ATOM 0 HA PRO A 19 11.465 0.379 -3.071 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.274 1.354 -3.875 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.681 1.065 -2.251 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.321 -0.788 -3.469 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.042 -1.324 -2.397 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.122 -1.389 -5.411 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.252 -2.448 -4.319 1.00 7.49 H new ATOM 316 N SER A 20 11.829 1.831 -5.799 1.00 6.80 N ATOM 317 CA SER A 20 11.414 2.956 -6.668 1.00 6.28 C ATOM 318 C SER A 20 9.950 2.767 -7.236 1.00 8.45 C ATOM 319 O SER A 20 9.482 3.434 -8.167 1.00 7.26 O ATOM 320 CB SER A 20 12.213 3.092 -7.993 1.00 8.57 C ATOM 321 OG SER A 20 12.090 1.928 -8.908 1.00 11.13 O ATOM 0 H SER A 20 12.109 1.009 -6.335 1.00 6.80 H new ATOM 0 HA SER A 20 11.554 3.804 -5.998 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.875 3.987 -8.516 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.266 3.241 -7.754 1.00 8.57 H new ATOM 0 HG SER A 20 12.618 2.091 -9.717 1.00 11.13 H new ATOM 327 N ASP A 21 9.220 1.738 -6.637 1.00 7.50 N ATOM 328 CA ASP A 21 7.880 1.409 -6.915 1.00 7.70 C ATOM 329 C ASP A 21 7.034 2.451 -6.190 1.00 7.08 C ATOM 330 O ASP A 21 7.318 2.822 -5.030 1.00 8.11 O ATOM 331 CB ASP A 21 7.472 -0.078 -6.505 1.00 11.00 C ATOM 332 CG ASP A 21 6.268 -0.740 -7.162 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.282 -0.688 -8.415 1.00 14.36 O ATOM 334 OD2 ASP A 21 5.375 -1.256 -6.490 1.00 18.03 O ATOM 0 H ASP A 21 9.630 1.131 -5.927 1.00 7.50 H new ATOM 0 HA ASP A 21 7.716 1.427 -7.992 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.336 -0.716 -6.692 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.299 -0.083 -5.429 1.00 11.00 H new ATOM 339 N THR A 22 6.019 2.940 -6.911 1.00 5.37 N ATOM 340 CA THR A 22 5.149 3.930 -6.288 1.00 6.01 C ATOM 341 C THR A 22 4.013 3.371 -5.420 1.00 8.01 C ATOM 342 O THR A 22 3.553 2.287 -5.585 1.00 8.11 O ATOM 343 CB THR A 22 4.488 4.856 -7.332 1.00 8.92 C ATOM 344 OG1 THR A 22 3.535 4.199 -8.206 1.00 10.22 O ATOM 345 CG2 THR A 22 5.570 5.551 -8.168 1.00 9.65 C ATOM 0 H THR A 22 5.791 2.683 -7.871 1.00 5.37 H new ATOM 0 HA THR A 22 5.840 4.466 -5.637 1.00 6.01 H new ATOM 0 HB THR A 22 3.911 5.583 -6.761 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.162 4.853 -8.834 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.099 6.203 -8.903 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.210 6.144 -7.514 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.171 4.801 -8.681 1.00 9.65 H new ATOM 353 N ILE A 23 3.475 4.185 -4.526 1.00 8.32 N ATOM 354 CA ILE A 23 2.358 3.754 -3.704 1.00 9.92 C ATOM 355 C ILE A 23 1.152 3.442 -4.512 1.00 10.01 C ATOM 356 O ILE A 23 0.376 2.499 -4.251 1.00 8.71 O ATOM 357 CB ILE A 23 1.981 4.810 -2.700 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.194 5.165 -1.709 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.714 4.470 -1.901 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.718 4.008 -0.841 1.00 12.30 C ATOM 0 H ILE A 23 3.791 5.139 -4.352 1.00 8.32 H new ATOM 0 HA ILE A 23 2.695 2.850 -3.196 1.00 9.92 H new ATOM 0 HB ILE A 23 1.753 5.696 -3.293 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.022 5.550 -2.304 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.874 5.971 -1.049 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.501 5.274 -1.197 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.127 4.354 -2.585 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.867 3.540 -1.354 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.535 4.365 -0.213 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.912 3.633 -0.210 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.079 3.205 -1.484 1.00 12.30 H new ATOM 372 N GLU A 24 0.921 4.249 -5.563 1.00 9.54 N ATOM 373 CA GLU A 24 -0.082 3.912 -6.530 1.00 11.81 C ATOM 374 C GLU A 24 -0.022 2.477 -7.203 1.00 11.14 C ATOM 375 O GLU A 24 -1.018 1.749 -7.362 1.00 10.62 O ATOM 376 CB GLU A 24 -0.034 4.970 -7.618 1.00 19.24 C ATOM 377 CG GLU A 24 -1.183 5.074 -8.628 1.00 27.76 C ATOM 378 CD GLU A 24 -0.854 5.959 -9.765 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.074 5.679 -10.508 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.622 6.922 -10.071 1.00 34.80 O ATOM 0 H GLU A 24 1.418 5.121 -5.744 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.014 3.879 -5.965 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.056 5.939 -7.126 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.884 4.813 -8.184 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.425 4.080 -9.003 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.073 5.450 -8.124 1.00 27.76 H new ATOM 387 N ASN A 25 1.211 2.083 -7.543 1.00 9.43 N ATOM 388 CA ASN A 25 1.413 0.762 -7.983 1.00 10.96 C ATOM 389 C ASN A 25 1.293 -0.290 -6.922 1.00 9.68 C ATOM 390 O ASN A 25 0.832 -1.402 -7.211 1.00 9.33 O ATOM 391 CB ASN A 25 2.850 0.750 -8.624 1.00 16.78 C ATOM 392 CG ASN A 25 2.841 -0.178 -9.858 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.868 -0.196 -10.622 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.931 -0.927 -9.996 1.00 24.70 N ATOM 0 H ASN A 25 2.045 2.669 -7.512 1.00 9.43 H new ATOM 0 HA ASN A 25 0.623 0.499 -8.686 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.142 1.759 -8.914 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.584 0.403 -7.897 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.007 -1.577 -10.778 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.691 -0.851 -9.320 1.00 24.70 H new ATOM 401 N VAL A 26 1.600 -0.037 -5.668 1.00 6.52 N ATOM 402 CA VAL A 26 1.302 -1.009 -4.571 1.00 5.53 C ATOM 403 C VAL A 26 -0.162 -1.123 -4.346 1.00 4.42 C ATOM 404 O VAL A 26 -0.685 -2.202 -4.181 1.00 3.40 O ATOM 405 CB VAL A 26 2.081 -0.503 -3.366 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.841 -1.307 -2.016 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.571 -0.633 -3.675 1.00 8.12 C ATOM 0 H VAL A 26 2.054 0.822 -5.356 1.00 6.52 H new ATOM 0 HA VAL A 26 1.610 -2.027 -4.807 1.00 5.53 H new ATOM 0 HB VAL A 26 1.735 0.518 -3.206 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.441 -0.868 -1.219 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.786 -1.257 -1.745 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.131 -2.348 -2.156 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.152 -0.276 -2.824 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.813 -1.678 -3.866 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.813 -0.038 -4.555 1.00 8.12 H new ATOM 417 N LYS A 27 -0.963 -0.016 -4.454 1.00 2.64 N ATOM 418 CA LYS A 27 -2.411 -0.054 -4.601 1.00 4.14 C ATOM 419 C LYS A 27 -3.012 -0.778 -5.862 1.00 5.58 C ATOM 420 O LYS A 27 -3.988 -1.506 -5.786 1.00 4.11 O ATOM 421 CB LYS A 27 -3.126 1.333 -4.459 1.00 3.97 C ATOM 422 CG LYS A 27 -2.789 1.834 -2.982 1.00 7.45 C ATOM 423 CD LYS A 27 -3.322 3.188 -2.538 1.00 9.02 C ATOM 424 CE LYS A 27 -3.086 4.306 -3.582 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.788 5.485 -3.184 1.00 15.47 N ATOM 0 H LYS A 27 -0.589 0.933 -4.438 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.631 -0.689 -3.743 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.764 2.040 -5.206 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.202 1.237 -4.606 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.163 1.085 -2.284 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.704 1.854 -2.878 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.391 3.104 -2.340 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.845 3.469 -1.599 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.020 4.517 -3.670 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.429 3.980 -4.564 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.402 6.307 -3.692 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.798 5.381 -3.410 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.676 5.627 -2.160 1.00 15.47 H new ATOM 439 N ALA A 28 -2.304 -0.677 -6.994 1.00 6.61 N ATOM 440 CA ALA A 28 -2.679 -1.297 -8.287 1.00 7.74 C ATOM 441 C ALA A 28 -2.575 -2.764 -8.294 1.00 9.17 C ATOM 442 O ALA A 28 -3.479 -3.484 -8.630 1.00 11.45 O ATOM 443 CB ALA A 28 -1.882 -0.777 -9.497 1.00 7.68 C ATOM 0 H ALA A 28 -1.432 -0.151 -7.045 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.722 -0.998 -8.388 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.221 -1.284 -10.401 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.039 0.296 -9.602 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.821 -0.975 -9.346 1.00 7.68 H new ATOM 449 N LYS A 29 -1.536 -3.189 -7.657 1.00 8.96 N ATOM 450 CA LYS A 29 -1.275 -4.596 -7.396 1.00 7.90 C ATOM 451 C LYS A 29 -2.293 -5.339 -6.427 1.00 6.92 C ATOM 452 O LYS A 29 -2.503 -6.546 -6.480 1.00 6.87 O ATOM 453 CB LYS A 29 0.129 -4.760 -6.804 1.00 10.28 C ATOM 454 CG LYS A 29 1.349 -4.464 -7.729 1.00 14.94 C ATOM 455 CD LYS A 29 2.682 -4.248 -7.093 1.00 19.69 C ATOM 456 CE LYS A 29 3.792 -4.042 -8.157 1.00 22.63 C ATOM 457 NZ LYS A 29 5.098 -3.635 -7.560 1.00 24.98 N ATOM 0 H LYS A 29 -0.818 -2.566 -7.288 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.390 -5.066 -8.373 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.203 -4.108 -5.933 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.223 -5.785 -6.444 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.445 -5.294 -8.429 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.113 -3.577 -8.317 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.637 -3.377 -6.439 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.931 -5.105 -6.467 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.927 -4.967 -8.718 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.470 -3.281 -8.868 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.728 -3.284 -8.309 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.940 -2.882 -6.860 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.537 -4.455 -7.094 1.00 24.98 H new ATOM 471 N ILE A 30 -2.849 -4.572 -5.468 1.00 4.57 N ATOM 472 CA ILE A 30 -3.898 -4.948 -4.631 1.00 5.58 C ATOM 473 C ILE A 30 -5.266 -4.892 -5.401 1.00 7.26 C ATOM 474 O ILE A 30 -6.082 -5.754 -5.278 1.00 9.46 O ATOM 475 CB ILE A 30 -3.938 -4.100 -3.386 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.746 -4.337 -2.497 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.236 -4.395 -2.583 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.694 -5.719 -1.892 1.00 2.00 C ATOM 0 H ILE A 30 -2.524 -3.623 -5.283 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.726 -5.978 -4.317 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.919 -3.059 -3.707 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.837 -4.170 -3.074 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.753 -3.600 -1.694 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.256 -3.778 -1.685 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.105 -4.167 -3.200 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.258 -5.448 -2.300 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.806 -5.809 -1.266 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.584 -5.884 -1.285 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.654 -6.463 -2.687 1.00 2.00 H new ATOM 490 N GLN A 31 -5.433 -3.916 -6.296 1.00 7.06 N ATOM 491 CA GLN A 31 -6.631 -3.741 -7.104 1.00 8.67 C ATOM 492 C GLN A 31 -6.774 -4.930 -8.051 1.00 10.90 C ATOM 493 O GLN A 31 -7.855 -5.543 -8.194 1.00 9.63 O ATOM 494 CB GLN A 31 -6.633 -2.435 -7.983 1.00 9.12 C ATOM 495 CG GLN A 31 -7.890 -2.139 -8.839 1.00 10.76 C ATOM 496 CD GLN A 31 -8.325 -3.082 -10.029 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.543 -3.405 -10.130 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.410 -3.325 -10.969 1.00 14.76 N ATOM 0 H GLN A 31 -4.719 -3.211 -6.480 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.457 -3.662 -6.397 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.473 -1.585 -7.320 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.775 -2.482 -8.654 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.735 -2.087 -8.152 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -7.759 -1.142 -9.258 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.442 -3.038 -10.825 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.678 -3.798 -11.832 1.00 14.76 H new ATOM 507 N ASP A 32 -5.610 -5.323 -8.640 1.00 10.93 N ATOM 508 CA ASP A 32 -5.458 -6.541 -9.493 1.00 14.01 C ATOM 509 C ASP A 32 -5.903 -7.875 -8.775 1.00 14.04 C ATOM 510 O ASP A 32 -6.665 -8.661 -9.286 1.00 13.39 O ATOM 511 CB ASP A 32 -3.907 -6.716 -9.748 1.00 18.01 C ATOM 512 CG ASP A 32 -3.521 -7.710 -10.841 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.438 -8.224 -11.568 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.313 -7.838 -11.011 1.00 26.29 O ATOM 0 H ASP A 32 -4.741 -4.799 -8.536 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.072 -6.396 -10.382 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.488 -5.743 -10.004 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.438 -7.030 -8.816 1.00 18.01 H new ATOM 519 N LYS A 33 -5.488 -8.028 -7.473 1.00 14.22 N ATOM 520 CA LYS A 33 -5.931 -9.133 -6.681 1.00 14.00 C ATOM 521 C LYS A 33 -7.279 -9.071 -6.048 1.00 12.37 C ATOM 522 O LYS A 33 -8.014 -10.011 -6.157 1.00 12.17 O ATOM 523 CB LYS A 33 -4.913 -9.409 -5.515 1.00 18.62 C ATOM 524 CG LYS A 33 -3.513 -9.850 -5.984 1.00 24.00 C ATOM 525 CD LYS A 33 -2.458 -9.977 -4.852 1.00 27.61 C ATOM 526 CE LYS A 33 -0.978 -10.060 -5.298 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.636 -11.439 -5.771 1.00 30.06 N ATOM 0 H LYS A 33 -4.856 -7.387 -6.993 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.996 -9.918 -7.434 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.814 -8.505 -4.914 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.325 -10.181 -4.864 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.601 -10.812 -6.490 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.150 -9.134 -6.721 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.567 -9.121 -4.186 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.689 -10.867 -4.267 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.795 -9.342 -6.097 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.328 -9.785 -4.467 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.361 -11.468 -6.064 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.790 -12.119 -4.999 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.242 -11.689 -6.579 1.00 30.06 H new ATOM 541 N GLU A 34 -7.614 -7.972 -5.346 1.00 10.11 N ATOM 542 CA GLU A 34 -8.714 -7.898 -4.464 1.00 10.07 C ATOM 543 C GLU A 34 -9.860 -6.988 -4.947 1.00 9.32 C ATOM 544 O GLU A 34 -10.846 -6.956 -4.279 1.00 11.61 O ATOM 545 CB GLU A 34 -8.210 -7.411 -3.035 1.00 14.77 C ATOM 546 CG GLU A 34 -7.067 -8.295 -2.502 1.00 18.75 C ATOM 547 CD GLU A 34 -7.622 -9.636 -2.057 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.325 -9.688 -0.983 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.250 -10.652 -2.663 1.00 21.95 O ATOM 0 H GLU A 34 -7.087 -7.101 -5.404 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.133 -8.903 -4.416 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.870 -6.378 -3.102 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.042 -7.428 -2.331 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.315 -8.441 -3.278 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.571 -7.801 -1.667 1.00 18.75 H new ATOM 556 N GLY A 35 -9.665 -6.242 -6.075 1.00 7.22 N ATOM 557 CA GLY A 35 -10.661 -5.477 -6.803 1.00 6.29 C ATOM 558 C GLY A 35 -11.004 -4.126 -6.201 1.00 6.93 C ATOM 559 O GLY A 35 -11.817 -3.339 -6.647 1.00 7.41 O ATOM 0 H GLY A 35 -8.744 -6.171 -6.506 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.305 -5.323 -7.822 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.574 -6.069 -6.870 1.00 6.29 H new ATOM 563 N ILE A 36 -10.379 -3.758 -5.061 1.00 5.86 N ATOM 564 CA ILE A 36 -10.535 -2.539 -4.231 1.00 6.07 C ATOM 565 C ILE A 36 -9.994 -1.268 -4.962 1.00 6.36 C ATOM 566 O ILE A 36 -8.783 -1.267 -5.293 1.00 6.18 O ATOM 567 CB ILE A 36 -9.905 -2.606 -2.815 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.203 -3.939 -2.122 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.256 -1.468 -1.953 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.384 -4.254 -0.922 1.00 9.49 C ATOM 0 H ILE A 36 -9.675 -4.374 -4.654 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.613 -2.474 -4.087 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.829 -2.538 -2.976 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.253 -3.946 -1.831 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.068 -4.740 -2.849 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.778 -1.587 -0.981 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.913 -0.542 -2.415 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.338 -1.430 -1.823 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.686 -5.221 -0.519 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.331 -4.289 -1.200 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.534 -3.483 -0.166 1.00 9.49 H new ATOM 582 N PRO A 37 -10.753 -0.245 -5.292 1.00 8.65 N ATOM 583 CA PRO A 37 -10.259 0.996 -5.930 1.00 9.18 C ATOM 584 C PRO A 37 -9.021 1.658 -5.210 1.00 9.85 C ATOM 585 O PRO A 37 -8.944 1.816 -3.979 1.00 8.51 O ATOM 586 CB PRO A 37 -11.450 1.891 -5.827 1.00 11.42 C ATOM 587 CG PRO A 37 -12.664 0.921 -5.949 1.00 9.27 C ATOM 588 CD PRO A 37 -12.198 -0.343 -5.265 1.00 8.33 C ATOM 0 HA PRO A 37 -9.893 0.806 -6.939 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.463 2.430 -4.879 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.456 2.640 -6.619 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.551 1.331 -5.467 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.924 0.737 -6.991 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.575 -0.406 -4.244 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.547 -1.232 -5.789 1.00 8.33 H new ATOM 596 N PRO A 38 -7.968 2.063 -5.910 1.00 8.71 N ATOM 597 CA PRO A 38 -6.816 2.738 -5.387 1.00 9.08 C ATOM 598 C PRO A 38 -7.119 4.025 -4.693 1.00 9.28 C ATOM 599 O PRO A 38 -6.301 4.479 -3.910 1.00 6.50 O ATOM 600 CB PRO A 38 -5.942 2.984 -6.637 1.00 10.31 C ATOM 601 CG PRO A 38 -6.192 1.702 -7.444 1.00 10.81 C ATOM 602 CD PRO A 38 -7.722 1.597 -7.301 1.00 12.00 C ATOM 0 HA PRO A 38 -6.336 2.138 -4.614 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.248 3.877 -7.182 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.889 3.110 -6.383 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.875 1.794 -8.483 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.673 0.838 -7.028 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.238 2.220 -8.031 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.071 0.575 -7.451 1.00 12.00 H new ATOM 610 N ASP A 39 -8.283 4.688 -4.979 1.00 11.20 N ATOM 611 CA ASP A 39 -8.623 5.916 -4.195 1.00 14.96 C ATOM 612 C ASP A 39 -9.549 5.640 -2.998 1.00 13.99 C ATOM 613 O ASP A 39 -9.965 6.486 -2.217 1.00 13.75 O ATOM 614 CB ASP A 39 -9.244 7.004 -5.058 1.00 24.16 C ATOM 615 CG ASP A 39 -8.369 7.338 -6.245 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.286 7.952 -5.984 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.711 7.090 -7.423 1.00 34.22 O ATOM 0 H ASP A 39 -8.958 4.417 -5.694 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.664 6.265 -3.811 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.224 6.678 -5.407 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.402 7.900 -4.458 1.00 24.16 H new ATOM 622 N GLN A 40 -9.853 4.331 -2.827 1.00 11.60 N ATOM 623 CA GLN A 40 -10.429 3.794 -1.648 1.00 10.76 C ATOM 624 C GLN A 40 -9.462 3.150 -0.652 1.00 8.01 C ATOM 625 O GLN A 40 -9.740 2.992 0.575 1.00 8.96 O ATOM 626 CB GLN A 40 -11.517 2.684 -1.942 1.00 11.14 C ATOM 627 CG GLN A 40 -12.396 2.318 -0.763 1.00 14.85 C ATOM 628 CD GLN A 40 -13.464 1.178 -1.047 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.485 0.241 -0.245 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.227 1.238 -2.170 1.00 18.16 N ATOM 0 H GLN A 40 -9.685 3.629 -3.548 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.853 4.695 -1.204 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.154 3.028 -2.757 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.011 1.784 -2.291 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.758 1.999 0.061 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.922 3.213 -0.431 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.159 2.045 -2.790 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.868 0.476 -2.392 1.00 18.16 H new ATOM 639 N GLN A 41 -8.263 2.792 -1.151 1.00 6.52 N ATOM 640 CA GLN A 41 -7.116 2.289 -0.435 1.00 3.87 C ATOM 641 C GLN A 41 -6.255 3.369 0.111 1.00 4.79 C ATOM 642 O GLN A 41 -5.708 4.159 -0.643 1.00 6.34 O ATOM 643 CB GLN A 41 -6.277 1.373 -1.420 1.00 4.20 C ATOM 644 CG GLN A 41 -6.855 0.029 -1.832 1.00 3.20 C ATOM 645 CD GLN A 41 -5.891 -0.776 -2.739 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.712 -1.102 -2.309 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.269 -1.028 -3.999 1.00 7.13 N ATOM 0 H GLN A 41 -8.075 2.860 -2.151 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.475 1.720 0.422 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.092 1.946 -2.328 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.308 1.189 -0.956 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.082 -0.555 -0.940 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.797 0.187 -2.358 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.202 -0.762 -4.314 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.624 -1.486 -4.643 1.00 7.13 H new ATOM 656 N ARG A 42 -6.137 3.431 1.454 1.00 5.73 N ATOM 657 CA ARG A 42 -5.237 4.272 2.220 1.00 6.97 C ATOM 658 C ARG A 42 -4.213 3.341 2.917 1.00 7.15 C ATOM 659 O ARG A 42 -4.515 2.228 3.342 1.00 7.33 O ATOM 660 CB ARG A 42 -5.915 5.075 3.274 1.00 13.23 C ATOM 661 CG ARG A 42 -7.203 5.831 2.759 1.00 21.27 C ATOM 662 CD ARG A 42 -7.804 6.835 3.733 1.00 26.14 C ATOM 663 NE ARG A 42 -8.951 7.541 3.100 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.904 8.203 3.712 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.934 8.290 5.062 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.850 8.808 3.015 1.00 36.39 N ATOM 0 H ARG A 42 -6.715 2.848 2.059 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.780 4.978 1.527 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.194 4.418 4.097 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.210 5.805 3.673 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.953 6.352 1.835 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.964 5.091 2.511 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.136 6.323 4.636 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.046 7.557 4.037 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.002 7.506 2.082 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.209 7.837 5.618 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.682 8.808 5.523 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.841 8.762 1.996 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.589 9.321 3.496 1.00 36.39 H new ATOM 680 N LEU A 43 -2.924 3.694 2.895 1.00 4.65 N ATOM 681 CA LEU A 43 -1.862 2.802 3.352 1.00 3.51 C ATOM 682 C LEU A 43 -1.087 3.419 4.436 1.00 5.56 C ATOM 683 O LEU A 43 -0.801 4.631 4.421 1.00 4.19 O ATOM 684 CB LEU A 43 -0.811 2.517 2.251 1.00 3.74 C ATOM 685 CG LEU A 43 -1.217 1.389 1.254 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.231 1.410 0.099 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.105 0.086 1.983 1.00 6.41 C ATOM 0 H LEU A 43 -2.592 4.599 2.562 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.377 1.892 3.659 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.631 3.434 1.690 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.131 2.244 2.726 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.231 1.526 0.877 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.491 0.629 -0.616 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.269 2.381 -0.394 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.776 1.235 0.477 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.382 -0.730 1.315 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.078 -0.055 2.321 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.773 0.092 2.844 1.00 6.41 H new ATOM 699 N ILE A 44 -0.732 2.602 5.387 1.00 4.58 N ATOM 700 CA ILE A 44 0.054 3.134 6.496 1.00 5.55 C ATOM 701 C ILE A 44 1.320 2.313 6.743 1.00 5.46 C ATOM 702 O ILE A 44 1.269 1.074 6.669 1.00 6.04 O ATOM 703 CB ILE A 44 -0.846 3.213 7.727 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.185 3.965 7.418 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.175 3.854 8.986 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.029 4.430 8.600 1.00 13.90 C ATOM 0 H ILE A 44 -0.955 1.608 5.432 1.00 4.58 H new ATOM 0 HA ILE A 44 0.407 4.136 6.251 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.049 2.171 7.974 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.946 4.839 6.813 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.802 3.310 6.803 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.888 3.868 9.811 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.698 3.267 9.271 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.133 4.874 8.755 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.923 4.933 8.233 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.319 3.568 9.202 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.449 5.121 9.212 1.00 13.90 H new ATOM 718 N PHE A 45 2.409 2.986 7.129 1.00 6.75 N ATOM 719 CA PHE A 45 3.646 2.317 7.570 1.00 4.70 C ATOM 720 C PHE A 45 4.287 3.321 8.549 1.00 6.34 C ATOM 721 O PHE A 45 4.318 4.517 8.254 1.00 5.45 O ATOM 722 CB PHE A 45 4.585 1.875 6.416 1.00 5.51 C ATOM 723 CG PHE A 45 5.836 1.252 7.074 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.938 2.079 7.265 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.979 -0.143 7.262 1.00 6.86 C ATOM 726 CE1 PHE A 45 8.157 1.476 7.669 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.200 -0.715 7.696 1.00 6.68 C ATOM 728 CZ PHE A 45 8.252 0.159 7.860 1.00 6.84 C ATOM 0 H PHE A 45 2.462 4.004 7.146 1.00 6.75 H new ATOM 0 HA PHE A 45 3.434 1.360 8.046 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.088 1.153 5.768 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.859 2.726 5.793 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.868 3.146 7.111 1.00 5.87 H new ATOM 0 HD2 PHE A 45 5.135 -0.789 7.070 1.00 6.86 H new ATOM 0 HE1 PHE A 45 9.027 2.097 7.825 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.300 -1.773 7.887 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.208 -0.245 8.160 1.00 6.84 H new ATOM 738 N ALA A 46 4.815 2.846 9.745 1.00 6.53 N ATOM 739 CA ALA A 46 5.391 3.633 10.825 1.00 7.15 C ATOM 740 C ALA A 46 4.569 4.828 11.263 1.00 9.00 C ATOM 741 O ALA A 46 5.111 5.827 11.659 1.00 11.15 O ATOM 742 CB ALA A 46 6.862 4.002 10.556 1.00 8.99 C ATOM 0 H ALA A 46 4.832 1.848 9.953 1.00 6.53 H new ATOM 0 HA ALA A 46 5.368 2.965 11.686 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.248 4.589 11.389 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.452 3.092 10.449 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.928 4.587 9.639 1.00 8.99 H new ATOM 748 N GLY A 47 3.261 4.640 11.257 1.00 9.35 N ATOM 749 CA GLY A 47 2.302 5.612 11.633 1.00 11.68 C ATOM 750 C GLY A 47 1.906 6.642 10.634 1.00 11.14 C ATOM 751 O GLY A 47 1.108 7.489 11.002 1.00 13.93 O ATOM 0 H GLY A 47 2.839 3.756 10.973 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.399 5.085 11.942 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.684 6.132 12.512 1.00 11.68 H new ATOM 755 N LYS A 48 2.524 6.617 9.443 1.00 10.47 N ATOM 756 CA LYS A 48 2.357 7.655 8.426 1.00 8.82 C ATOM 757 C LYS A 48 1.450 7.104 7.343 1.00 7.68 C ATOM 758 O LYS A 48 1.748 6.003 6.857 1.00 6.47 O ATOM 759 CB LYS A 48 3.679 8.047 7.788 1.00 9.74 C ATOM 760 CG LYS A 48 3.713 9.241 6.807 1.00 14.14 C ATOM 761 CD LYS A 48 5.107 9.498 6.284 1.00 16.32 C ATOM 762 CE LYS A 48 6.100 10.191 7.261 1.00 20.04 C ATOM 763 NZ LYS A 48 7.339 10.621 6.498 1.00 23.92 N ATOM 0 H LYS A 48 3.157 5.869 9.161 1.00 10.47 H new ATOM 0 HA LYS A 48 1.937 8.541 8.903 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.382 8.262 8.593 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.060 7.174 7.257 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.042 9.044 5.971 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.343 10.135 7.309 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.538 8.544 5.980 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.027 10.112 5.387 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.627 11.056 7.725 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.373 9.508 8.065 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.004 11.085 7.149 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.793 9.787 6.075 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.070 11.287 5.746 1.00 23.92 H new ATOM 777 N GLN A 49 0.448 7.939 6.862 1.00 8.89 N ATOM 778 CA GLN A 49 -0.362 7.572 5.710 1.00 7.18 C ATOM 779 C GLN A 49 0.290 8.020 4.371 1.00 8.23 C ATOM 780 O GLN A 49 0.638 9.170 4.181 1.00 9.70 O ATOM 781 CB GLN A 49 -1.745 8.113 5.961 1.00 11.67 C ATOM 782 CG GLN A 49 -2.822 7.505 4.993 1.00 15.82 C ATOM 783 CD GLN A 49 -4.147 8.107 5.303 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.991 7.503 5.909 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.414 9.273 4.747 1.00 20.67 N ATOM 0 H GLN A 49 0.215 8.844 7.271 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.431 6.491 5.593 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.030 7.904 6.992 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.732 9.197 5.848 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.551 7.704 3.956 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.864 6.422 5.109 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.686 9.773 4.236 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.348 9.675 4.828 1.00 20.67 H new ATOM 794 N LEU A 50 0.370 7.091 3.406 1.00 6.51 N ATOM 795 CA LEU A 50 1.179 7.285 2.195 1.00 7.41 C ATOM 796 C LEU A 50 0.425 7.878 1.030 1.00 8.27 C ATOM 797 O LEU A 50 -0.822 8.002 1.049 1.00 8.34 O ATOM 798 CB LEU A 50 1.861 5.895 1.912 1.00 7.13 C ATOM 799 CG LEU A 50 2.424 5.253 3.226 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.167 3.992 2.858 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.525 6.150 3.802 1.00 9.11 C ATOM 0 H LEU A 50 -0.118 6.196 3.442 1.00 6.51 H new ATOM 0 HA LEU A 50 1.938 8.051 2.352 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.137 5.219 1.457 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.670 6.025 1.194 1.00 7.13 H new ATOM 0 HG LEU A 50 1.594 5.098 3.915 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.567 3.529 3.760 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.485 3.298 2.366 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.986 4.237 2.182 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.917 5.704 4.716 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.330 6.251 3.074 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.113 7.134 4.026 1.00 9.11 H new ATOM 813 N GLU A 51 1.166 8.428 0.017 1.00 9.43 N ATOM 814 CA GLU A 51 0.601 9.194 -1.063 1.00 11.90 C ATOM 815 C GLU A 51 0.993 8.641 -2.460 1.00 11.49 C ATOM 816 O GLU A 51 2.147 8.307 -2.669 1.00 9.88 O ATOM 817 CB GLU A 51 1.099 10.618 -0.911 1.00 16.56 C ATOM 818 CG GLU A 51 0.611 11.274 0.469 1.00 26.06 C ATOM 819 CD GLU A 51 0.926 12.731 0.493 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.401 13.464 -0.365 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.839 13.168 1.228 1.00 32.13 O ATOM 0 H GLU A 51 2.180 8.331 -0.042 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.486 9.137 -1.008 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.188 10.629 -0.954 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.741 11.220 -1.746 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.462 11.126 0.590 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.098 10.776 1.308 1.00 26.06 H new ATOM 828 N ASP A 52 -0.043 8.456 -3.338 1.00 12.71 N ATOM 829 CA ASP A 52 -0.013 7.774 -4.606 1.00 16.56 C ATOM 830 C ASP A 52 1.325 7.844 -5.375 1.00 15.83 C ATOM 831 O ASP A 52 1.931 6.821 -5.732 1.00 17.21 O ATOM 832 CB ASP A 52 -1.109 8.388 -5.555 1.00 21.05 C ATOM 833 CG ASP A 52 -2.463 8.367 -4.909 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.059 7.291 -4.945 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.896 9.397 -4.353 1.00 28.37 O ATOM 0 H ASP A 52 -0.974 8.819 -3.131 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.185 6.728 -4.353 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.840 9.414 -5.808 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.140 7.827 -6.489 1.00 21.05 H new ATOM 840 N GLY A 53 1.759 9.062 -5.650 1.00 15.00 N ATOM 841 CA GLY A 53 2.910 9.446 -6.488 1.00 11.77 C ATOM 842 C GLY A 53 4.233 9.417 -5.845 1.00 11.10 C ATOM 843 O GLY A 53 5.296 9.715 -6.365 1.00 11.25 O ATOM 0 H GLY A 53 1.286 9.882 -5.269 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.937 8.784 -7.353 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.736 10.454 -6.864 1.00 11.77 H new ATOM 847 N ARG A 54 4.259 9.067 -4.536 1.00 8.53 N ATOM 848 CA ARG A 54 5.475 8.896 -3.771 1.00 9.05 C ATOM 849 C ARG A 54 5.957 7.437 -3.860 1.00 8.96 C ATOM 850 O ARG A 54 5.236 6.600 -4.341 1.00 11.60 O ATOM 851 CB ARG A 54 5.344 9.440 -2.338 1.00 7.97 C ATOM 852 CG ARG A 54 4.844 10.909 -2.170 1.00 9.62 C ATOM 853 CD ARG A 54 5.554 11.929 -3.127 1.00 12.20 C ATOM 854 NE ARG A 54 5.145 13.321 -2.688 1.00 18.23 N ATOM 855 CZ ARG A 54 5.581 14.407 -3.267 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.480 14.439 -4.264 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.229 15.627 -2.744 1.00 23.38 N ATOM 0 H ARG A 54 3.413 8.898 -3.993 1.00 8.53 H new ATOM 0 HA ARG A 54 6.261 9.507 -4.214 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.663 8.788 -1.791 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.319 9.359 -1.857 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.770 10.941 -2.352 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.002 11.222 -1.138 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.637 11.813 -3.077 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.262 11.752 -4.162 1.00 12.20 H new ATOM 0 HE ARG A 54 4.499 13.414 -1.904 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.875 13.570 -4.623 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.768 15.333 -4.662 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.636 15.675 -1.916 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.561 16.485 -3.184 1.00 23.38 H new ATOM 871 N THR A 55 7.217 7.139 -3.418 1.00 9.05 N ATOM 872 CA THR A 55 7.757 5.795 -3.520 1.00 9.03 C ATOM 873 C THR A 55 8.064 5.200 -2.190 1.00 8.15 C ATOM 874 O THR A 55 8.036 5.780 -1.149 1.00 5.91 O ATOM 875 CB THR A 55 9.014 5.719 -4.436 1.00 11.15 C ATOM 876 OG1 THR A 55 10.119 6.479 -3.894 1.00 11.95 O ATOM 877 CG2 THR A 55 8.716 6.265 -5.854 1.00 11.71 C ATOM 0 H THR A 55 7.850 7.819 -2.997 1.00 9.05 H new ATOM 0 HA THR A 55 6.965 5.206 -3.983 1.00 9.03 H new ATOM 0 HB THR A 55 9.282 4.664 -4.490 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.959 7.435 -4.036 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.615 6.197 -6.466 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.920 5.676 -6.311 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.403 7.307 -5.784 1.00 11.71 H new ATOM 885 N LEU A 56 8.369 3.911 -2.253 1.00 6.91 N ATOM 886 CA LEU A 56 8.816 3.155 -1.048 1.00 8.29 C ATOM 887 C LEU A 56 10.114 3.661 -0.382 1.00 8.05 C ATOM 888 O LEU A 56 10.228 3.904 0.830 1.00 10.17 O ATOM 889 CB LEU A 56 8.970 1.705 -1.434 1.00 6.60 C ATOM 890 CG LEU A 56 7.708 1.022 -2.035 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.012 -0.482 -2.166 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.408 1.264 -1.281 1.00 8.64 C ATOM 0 H LEU A 56 8.322 3.355 -3.107 1.00 6.91 H new ATOM 0 HA LEU A 56 8.047 3.306 -0.291 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.781 1.626 -2.158 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.276 1.145 -0.550 1.00 6.60 H new ATOM 0 HG LEU A 56 7.520 1.483 -3.005 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.146 -0.993 -2.586 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.870 -0.624 -2.823 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.236 -0.895 -1.182 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.593 0.744 -1.784 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.503 0.889 -0.262 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.195 2.333 -1.256 1.00 8.64 H new ATOM 904 N SER A 57 11.160 3.924 -1.191 1.00 8.92 N ATOM 905 CA SER A 57 12.402 4.538 -0.791 1.00 9.00 C ATOM 906 C SER A 57 12.208 5.913 -0.127 1.00 9.44 C ATOM 907 O SER A 57 12.902 6.248 0.820 1.00 10.91 O ATOM 908 CB SER A 57 13.457 4.603 -1.919 1.00 10.32 C ATOM 909 OG SER A 57 14.746 4.913 -1.344 1.00 13.59 O ATOM 0 H SER A 57 11.141 3.696 -2.185 1.00 8.92 H new ATOM 0 HA SER A 57 12.804 3.866 -0.032 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.501 3.651 -2.448 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.179 5.362 -2.650 1.00 10.32 H new ATOM 0 HG SER A 57 15.420 4.954 -2.054 1.00 13.59 H new ATOM 915 N ASP A 58 11.286 6.787 -0.601 1.00 9.11 N ATOM 916 CA ASP A 58 11.003 8.115 -0.088 1.00 7.91 C ATOM 917 C ASP A 58 10.399 8.049 1.366 1.00 9.12 C ATOM 918 O ASP A 58 10.555 8.967 2.112 1.00 8.61 O ATOM 919 CB ASP A 58 9.925 8.728 -0.967 1.00 8.41 C ATOM 920 CG ASP A 58 10.241 9.201 -2.382 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.202 9.963 -2.557 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.473 8.968 -3.354 1.00 11.70 O ATOM 0 H ASP A 58 10.695 6.553 -1.399 1.00 9.11 H new ATOM 0 HA ASP A 58 11.931 8.687 -0.079 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.123 7.994 -1.047 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.521 9.584 -0.427 1.00 8.41 H new ATOM 927 N TYR A 59 9.842 6.895 1.675 1.00 7.97 N ATOM 928 CA TYR A 59 9.228 6.702 2.930 1.00 8.45 C ATOM 929 C TYR A 59 10.040 5.816 3.899 1.00 10.98 C ATOM 930 O TYR A 59 9.637 5.485 4.991 1.00 12.95 O ATOM 931 CB TYR A 59 7.771 6.191 2.741 1.00 7.94 C ATOM 932 CG TYR A 59 6.858 7.273 2.262 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.819 8.541 2.829 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.955 7.010 1.204 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.862 9.477 2.496 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.004 7.938 0.837 1.00 6.52 C ATOM 937 CZ TYR A 59 4.885 9.139 1.530 1.00 6.76 C ATOM 938 OH TYR A 59 3.899 10.058 1.160 1.00 7.63 O ATOM 0 H TYR A 59 9.813 6.085 1.055 1.00 7.97 H new ATOM 0 HA TYR A 59 9.197 7.676 3.418 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.765 5.368 2.026 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.400 5.795 3.686 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.569 8.805 3.560 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.012 6.069 0.677 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.859 10.450 2.964 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.346 7.732 0.006 1.00 6.52 H new ATOM 0 HH TYR A 59 4.250 10.968 1.250 1.00 7.63 H new ATOM 948 N ASN A 60 11.240 5.356 3.437 1.00 12.38 N ATOM 949 CA ASN A 60 12.156 4.452 4.121 1.00 13.94 C ATOM 950 C ASN A 60 11.597 3.008 4.278 1.00 14.16 C ATOM 951 O ASN A 60 11.769 2.290 5.286 1.00 14.26 O ATOM 952 CB ASN A 60 12.814 4.966 5.435 1.00 19.23 C ATOM 953 CG ASN A 60 13.484 6.381 5.227 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.983 6.587 4.120 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.475 7.334 6.191 1.00 24.09 N ATOM 0 H ASN A 60 11.595 5.635 2.522 1.00 12.38 H new ATOM 0 HA ASN A 60 12.990 4.419 3.419 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.061 5.030 6.220 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.565 4.252 5.771 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.888 8.248 6.008 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.055 7.137 7.099 1.00 24.09 H new ATOM 962 N ILE A 61 10.858 2.557 3.287 1.00 11.08 N ATOM 963 CA ILE A 61 10.203 1.265 3.269 1.00 11.78 C ATOM 964 C ILE A 61 11.239 0.244 2.791 1.00 13.74 C ATOM 965 O ILE A 61 11.932 0.496 1.814 1.00 14.60 O ATOM 966 CB ILE A 61 8.832 1.338 2.520 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.874 2.100 3.434 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.329 -0.114 2.303 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.539 2.378 2.708 1.00 11.42 C ATOM 0 H ILE A 61 10.690 3.100 2.440 1.00 11.08 H new ATOM 0 HA ILE A 61 9.884 0.922 4.253 1.00 11.78 H new ATOM 0 HB ILE A 61 8.909 1.836 1.554 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.689 1.522 4.339 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.329 3.041 3.744 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.372 -0.093 1.781 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.056 -0.665 1.706 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.205 -0.604 3.269 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.869 2.921 3.374 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.727 2.976 1.816 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.077 1.433 2.421 1.00 11.42 H new ATOM 981 N GLN A 62 11.353 -0.927 3.391 1.00 13.97 N ATOM 982 CA GLN A 62 12.321 -1.879 2.991 1.00 15.52 C ATOM 983 C GLN A 62 11.674 -3.253 2.782 1.00 13.94 C ATOM 984 O GLN A 62 10.463 -3.359 2.810 1.00 12.15 O ATOM 985 CB GLN A 62 13.411 -1.964 4.139 1.00 19.53 C ATOM 986 CG GLN A 62 14.003 -0.571 4.417 1.00 26.38 C ATOM 987 CD GLN A 62 14.903 -0.617 5.596 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.561 -0.306 6.764 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.100 -1.155 5.353 1.00 32.71 N ATOM 0 H GLN A 62 10.766 -1.226 4.169 1.00 13.97 H new ATOM 0 HA GLN A 62 12.775 -1.578 2.047 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.961 -2.364 5.048 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.204 -2.652 3.847 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.555 -0.223 3.544 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.199 0.144 4.593 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.364 -1.402 4.399 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.751 -1.319 6.121 1.00 32.71 H new ATOM 998 N LYS A 63 12.477 -4.312 2.468 1.00 11.73 N ATOM 999 CA LYS A 63 11.977 -5.627 2.282 1.00 11.97 C ATOM 1000 C LYS A 63 11.366 -6.280 3.504 1.00 10.41 C ATOM 1001 O LYS A 63 11.812 -6.034 4.630 1.00 9.59 O ATOM 1002 CB LYS A 63 13.114 -6.480 1.648 1.00 13.73 C ATOM 1003 CG LYS A 63 14.224 -6.890 2.647 1.00 16.98 C ATOM 1004 CD LYS A 63 15.380 -7.648 1.923 1.00 20.19 C ATOM 1005 CE LYS A 63 16.617 -7.954 2.837 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.187 -8.610 4.087 1.00 25.97 N ATOM 0 H LYS A 63 13.487 -4.233 2.346 1.00 11.73 H new ATOM 0 HA LYS A 63 11.120 -5.561 1.612 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.680 -7.380 1.213 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.565 -5.917 0.831 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.620 -6.002 3.140 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.801 -7.525 3.426 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.993 -8.587 1.528 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.710 -7.055 1.070 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.319 -8.596 2.305 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.144 -7.028 3.068 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.021 -8.957 4.602 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.675 -7.926 4.680 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.562 -9.410 3.862 1.00 25.97 H new ATOM 1020 N GLU A 64 10.285 -7.019 3.264 1.00 10.04 N ATOM 1021 CA GLU A 64 9.529 -7.793 4.238 1.00 10.94 C ATOM 1022 C GLU A 64 8.790 -6.999 5.253 1.00 9.74 C ATOM 1023 O GLU A 64 8.345 -7.403 6.355 1.00 9.42 O ATOM 1024 CB GLU A 64 10.231 -8.936 4.962 1.00 18.31 C ATOM 1025 CG GLU A 64 11.116 -9.722 3.921 1.00 24.16 C ATOM 1026 CD GLU A 64 11.840 -10.833 4.683 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.868 -10.559 5.369 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.423 -12.007 4.540 1.00 31.72 O ATOM 0 H GLU A 64 9.892 -7.096 2.326 1.00 10.04 H new ATOM 0 HA GLU A 64 8.834 -8.249 3.533 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.852 -8.548 5.770 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.498 -9.603 5.416 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.496 -10.141 3.129 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.833 -9.053 3.444 1.00 24.16 H new ATOM 1035 N SER A 65 8.506 -5.744 4.913 1.00 6.85 N ATOM 1036 CA SER A 65 7.708 -4.803 5.701 1.00 6.90 C ATOM 1037 C SER A 65 6.207 -5.045 5.541 1.00 4.72 C ATOM 1038 O SER A 65 5.722 -5.284 4.449 1.00 3.91 O ATOM 1039 CB SER A 65 8.016 -3.386 5.235 1.00 7.28 C ATOM 1040 OG SER A 65 9.381 -3.089 5.254 1.00 10.56 O ATOM 0 H SER A 65 8.841 -5.335 4.041 1.00 6.85 H new ATOM 0 HA SER A 65 7.967 -4.946 6.750 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.635 -3.252 4.223 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.487 -2.677 5.872 1.00 7.28 H new ATOM 0 HG SER A 65 9.715 -3.024 4.335 1.00 10.56 H new ATOM 1046 N THR A 66 5.443 -4.876 6.685 1.00 4.48 N ATOM 1047 CA THR A 66 4.038 -4.999 6.599 1.00 3.80 C ATOM 1048 C THR A 66 3.518 -3.598 6.495 1.00 4.60 C ATOM 1049 O THR A 66 3.747 -2.705 7.372 1.00 5.33 O ATOM 1050 CB THR A 66 3.402 -5.734 7.741 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.745 -7.153 7.673 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.884 -5.755 7.599 1.00 3.40 C ATOM 0 H THR A 66 5.811 -4.665 7.613 1.00 4.48 H new ATOM 0 HA THR A 66 3.782 -5.610 5.734 1.00 3.80 H new ATOM 0 HB THR A 66 3.741 -5.236 8.649 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.328 -7.627 8.423 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.447 -6.294 8.440 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.506 -4.733 7.587 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.612 -6.253 6.668 1.00 3.40 H new ATOM 1060 N LEU A 67 2.853 -3.342 5.333 1.00 4.17 N ATOM 1061 CA LEU A 67 2.115 -2.120 5.053 1.00 3.85 C ATOM 1062 C LEU A 67 0.747 -2.462 5.533 1.00 3.80 C ATOM 1063 O LEU A 67 0.262 -3.608 5.424 1.00 5.54 O ATOM 1064 CB LEU A 67 2.111 -1.789 3.530 1.00 7.18 C ATOM 1065 CG LEU A 67 3.258 -0.835 3.059 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.698 -1.293 3.505 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.218 -0.465 1.586 1.00 11.66 C ATOM 0 H LEU A 67 2.827 -4.008 4.561 1.00 4.17 H new ATOM 0 HA LEU A 67 2.541 -1.237 5.529 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.182 -2.722 2.970 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.153 -1.336 3.274 1.00 7.18 H new ATOM 0 HG LEU A 67 3.041 0.086 3.600 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.436 -0.579 3.139 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.745 -1.338 4.593 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.911 -2.279 3.092 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.051 0.198 1.355 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.295 -1.369 0.982 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.279 0.041 1.363 1.00 11.66 H new ATOM 1079 N HIS A 68 0.060 -1.406 6.105 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.290 -1.680 6.613 1.00 4.17 C ATOM 1081 C HIS A 68 -2.297 -1.058 5.707 1.00 5.32 C ATOM 1082 O HIS A 68 -2.181 0.090 5.301 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.402 -1.063 8.094 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.395 -1.713 9.006 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.875 -1.238 9.147 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.403 -2.849 9.753 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.584 -2.154 9.812 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.820 -3.153 10.243 1.00 16.30 N ATOM 0 H HIS A 68 0.401 -0.450 6.209 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.479 -2.753 6.649 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.232 0.013 8.061 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.408 -1.215 8.484 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.287 -3.442 9.935 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.649 -2.091 9.979 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.092 -3.957 10.809 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.285 -1.819 5.308 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.324 -1.273 4.436 1.00 3.97 C ATOM 1098 C LEU A 69 -5.527 -0.747 5.270 1.00 5.07 C ATOM 1099 O LEU A 69 -6.113 -1.492 6.107 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.807 -2.428 3.523 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.670 -1.850 2.418 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.830 -1.015 1.424 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.408 -2.986 1.726 1.00 9.96 C ATOM 0 H LEU A 69 -3.402 -2.800 5.560 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.925 -0.441 3.857 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.953 -2.955 3.098 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.374 -3.156 4.103 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.401 -1.165 2.848 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.479 -0.615 0.645 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.351 -0.192 1.954 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.067 -1.648 0.971 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.032 -2.582 0.929 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.686 -3.684 1.303 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.035 -3.507 2.450 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.909 0.486 5.090 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.026 1.186 5.811 1.00 6.26 C ATOM 1117 C VAL A 70 -7.856 1.643 4.704 1.00 9.22 C ATOM 1118 O VAL A 70 -7.356 2.015 3.633 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.405 2.345 6.618 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.511 3.278 7.092 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.635 1.766 7.771 1.00 8.54 C ATOM 0 H VAL A 70 -5.450 1.092 4.410 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.598 0.591 6.523 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.720 2.927 6.001 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.075 4.098 7.663 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.044 3.679 6.229 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.207 2.726 7.724 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.189 2.573 8.352 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.309 1.191 8.406 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.848 1.114 7.392 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.197 1.609 4.758 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.065 1.907 3.667 1.00 16.06 C ATOM 1133 C LEU A 71 -11.084 3.004 3.952 1.00 18.09 C ATOM 1134 O LEU A 71 -11.598 3.196 5.065 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.879 0.688 3.154 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.047 -0.504 2.695 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.920 -1.659 2.176 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.127 -0.208 1.488 1.00 19.57 C ATOM 0 H LEU A 71 -9.701 1.360 5.609 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.355 2.241 2.910 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.548 0.359 3.949 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.506 1.014 2.324 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.478 -0.748 3.592 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.282 -2.484 1.861 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.585 -1.998 2.970 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.513 -1.315 1.328 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.571 -1.108 1.225 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.732 0.105 0.637 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.429 0.587 1.749 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.377 3.756 2.908 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.398 4.771 2.794 1.00 25.83 C ATOM 1152 C ARG A 72 -13.835 4.149 2.591 1.00 27.74 C ATOM 1153 O ARG A 72 -13.923 3.000 2.162 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.937 5.691 1.640 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.933 6.708 1.089 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.437 7.480 -0.130 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.674 8.090 -0.782 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.672 8.481 -2.078 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.545 8.541 -2.767 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.771 8.893 -2.676 1.00 35.02 N ATOM 0 H ARG A 72 -10.854 3.659 2.038 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.508 5.349 3.711 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.057 6.237 1.980 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.618 5.055 0.814 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.855 6.189 0.825 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -13.182 7.419 1.877 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.729 8.255 0.162 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.917 6.819 -0.824 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.523 8.206 -0.228 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.662 8.291 -2.323 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.559 8.837 -3.743 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -15.651 8.923 -2.161 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -14.742 9.182 -3.654 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.907 4.887 2.976 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.279 4.399 2.891 1.00 30.76 C ATOM 1176 C LEU A 73 -16.679 4.122 1.487 1.00 32.18 C ATOM 1177 O LEU A 73 -16.438 4.944 0.579 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.132 5.512 3.484 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.703 5.313 3.533 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -19.190 3.872 4.053 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -19.307 6.553 4.189 1.00 29.11 C ATOM 0 H LEU A 73 -14.830 5.832 3.351 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.398 3.456 3.424 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.788 5.687 4.503 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.930 6.422 2.919 1.00 30.53 H new ATOM 0 HG LEU A 73 -19.112 5.256 2.524 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -20.279 3.833 4.051 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.798 3.096 3.395 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.823 3.708 5.066 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -20.391 6.447 4.238 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.907 6.663 5.197 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -19.055 7.435 3.601 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.214 2.951 1.217 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.539 2.417 -0.067 1.00 35.33 C ATOM 1195 C ARG A 74 -18.683 3.189 -0.734 1.00 36.22 C ATOM 1196 O ARG A 74 -18.715 3.442 -1.947 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.909 0.903 0.095 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.003 0.141 -1.190 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.185 -1.375 -1.077 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.181 -1.879 -2.472 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.952 -3.126 -2.934 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.697 -4.182 -2.141 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.931 -3.325 -4.244 1.00 41.93 N ATOM 0 H ARG A 74 -17.449 2.298 1.965 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.671 2.519 -0.719 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.162 0.427 0.730 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.864 0.830 0.616 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.838 0.542 -1.764 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.098 0.333 -1.767 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.381 -1.825 -0.495 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.120 -1.622 -0.573 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.381 -1.180 -3.187 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.669 -4.064 -1.128 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.532 -5.101 -2.552 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.086 -2.544 -4.881 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.760 -4.259 -4.615 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.572 3.746 0.080 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.557 4.764 -0.351 1.00 36.07 C ATOM 1219 C GLY A 75 -20.031 6.194 -0.378 1.00 36.16 C ATOM 1220 O GLY A 75 -20.672 7.093 -0.837 1.00 36.26 O ATOM 0 H GLY A 75 -19.640 3.510 1.070 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.914 4.504 -1.348 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.418 4.721 0.316 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.807 6.514 0.116 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.431 7.875 0.583 1.00 36.19 C ATOM 1226 C GLY A 76 -17.167 8.183 -0.210 1.00 36.20 C ATOM 1227 O GLY A 76 -17.077 8.408 -1.470 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.147 8.282 0.528 1.00 0.00 O ATOM 0 H GLY A 76 -18.051 5.834 0.202 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -19.219 8.601 0.382 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.246 7.895 1.657 1.00 36.19 H new TER 1232 GLY A 76