USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 16 SER OG : rot 117:sc= -0.618 USER MOD Set 1.2: A 18 SER OG : rot 180:sc= 1.11 USER MOD Single : A 1 MET CE :methyl 145:sc= -0.754 (180deg=-1.53) USER MOD Single : A 1 MET N :NH3+ -130:sc= -0.0221 (180deg=-0.549) USER MOD Single : A 4 ASN : amide:sc= -4.08! C(o=-4.1!,f=-13!) USER MOD Single : A 5 ASN : amide:sc= -0.481 K(o=-0.48,f=-3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= 0.261 (180deg=-0.294!) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc=-0.00839 (180deg=-0.253) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= 0.564 (180deg=0.253) USER MOD Single : A 17 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.3) USER MOD Single : A 27 SER OG : rot 180:sc= 0.144 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 111:sc= 1.24 USER MOD Single : A 32 ASN : amide:sc= 0.351 K(o=0.35,f=-0.32) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.257 (180deg=-1.06) USER MOD Single : A 37 ASN : amide:sc= 0.195 K(o=0.2,f=-0.97) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.148 (180deg=-0.903) USER MOD Single : A 39 TYR OH : rot -149:sc= 0.841 USER MOD Single : A 40 ASN : amide:sc= -1.95! C(o=-2!,f=-9.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.217 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.108 (180deg=-0.738) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -15:sc= -0.992 USER MOD Single : A 54 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.19) USER MOD Single : A 55 THR OG1 : rot 51:sc= 0.0921 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -2.68! C(o=-2.7!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.164 -10.679 12.641 1.00 0.00 N ATOM 2 CA MET A 1 -15.265 -10.607 14.093 1.00 0.00 C ATOM 3 C MET A 1 -14.587 -9.343 14.609 1.00 0.00 C ATOM 4 O MET A 1 -15.238 -8.487 15.216 1.00 0.00 O ATOM 5 CB MET A 1 -14.635 -11.848 14.732 1.00 0.00 C ATOM 6 CG MET A 1 -15.431 -13.095 14.323 1.00 0.00 C ATOM 7 SD MET A 1 -17.134 -12.956 14.928 1.00 0.00 S ATOM 8 CE MET A 1 -17.917 -12.500 13.357 1.00 0.00 C ATOM 0 H1 MET A 1 -16.103 -10.868 12.237 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.804 -9.775 12.273 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.512 -11.445 12.376 1.00 0.00 H new ATOM 0 HA MET A 1 -16.319 -10.572 14.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.597 -11.946 14.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.628 -11.748 15.817 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.427 -13.201 13.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.961 -13.989 14.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.912 -12.942 13.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.998 -11.415 13.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.312 -12.868 12.529 1.00 0.00 H new ATOM 18 N ILE A 2 -13.304 -9.209 14.321 1.00 0.00 N ATOM 19 CA ILE A 2 -12.559 -8.009 14.682 1.00 0.00 C ATOM 20 C ILE A 2 -11.790 -7.485 13.477 1.00 0.00 C ATOM 21 O ILE A 2 -11.432 -8.253 12.572 1.00 0.00 O ATOM 22 CB ILE A 2 -11.617 -8.288 15.862 1.00 0.00 C ATOM 23 CG1 ILE A 2 -10.604 -9.372 15.486 1.00 0.00 C ATOM 24 CG2 ILE A 2 -12.428 -8.760 17.067 1.00 0.00 C ATOM 25 CD1 ILE A 2 -9.568 -9.520 16.603 1.00 0.00 C ATOM 0 H ILE A 2 -12.752 -9.917 13.837 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.265 -7.241 14.997 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.086 -7.369 16.110 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -11.116 -10.321 15.323 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -10.109 -9.112 14.550 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.757 -8.957 17.903 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.142 -7.987 17.350 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -12.965 -9.673 16.809 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.848 -10.293 16.332 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.047 -8.573 16.744 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.069 -9.800 17.529 1.00 0.00 H new ATOM 37 N ILE A 3 -11.562 -6.183 13.446 1.00 0.00 N ATOM 38 CA ILE A 3 -10.916 -5.562 12.303 1.00 0.00 C ATOM 39 C ILE A 3 -9.445 -5.283 12.545 1.00 0.00 C ATOM 40 O ILE A 3 -9.046 -4.821 13.619 1.00 0.00 O ATOM 41 CB ILE A 3 -11.650 -4.278 11.882 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.989 -3.701 10.633 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.615 -3.238 13.009 1.00 0.00 C ATOM 44 CD1 ILE A 3 -11.882 -2.622 10.050 1.00 0.00 C ATOM 0 H ILE A 3 -11.813 -5.538 14.195 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.974 -6.281 11.485 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.690 -4.524 11.670 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.012 -3.286 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.823 -4.489 9.898 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.140 -2.338 12.690 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.100 -3.646 13.896 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.580 -2.990 13.244 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.415 -2.206 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.848 -3.052 9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.025 -1.831 10.786 1.00 0.00 H new ATOM 56 N ASN A 4 -8.661 -5.499 11.509 1.00 0.00 N ATOM 57 CA ASN A 4 -7.241 -5.194 11.503 1.00 0.00 C ATOM 58 C ASN A 4 -6.865 -4.735 10.104 1.00 0.00 C ATOM 59 O ASN A 4 -7.647 -4.926 9.170 1.00 0.00 O ATOM 60 CB ASN A 4 -6.438 -6.430 11.900 1.00 0.00 C ATOM 61 CG ASN A 4 -5.064 -6.015 12.402 1.00 0.00 C ATOM 62 OD1 ASN A 4 -4.387 -5.207 11.767 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.607 -6.526 13.504 1.00 0.00 N ATOM 0 H ASN A 4 -8.996 -5.898 10.632 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.017 -4.407 12.223 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.966 -6.984 12.676 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.336 -7.098 11.045 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.684 -6.258 13.846 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.171 -7.195 14.028 1.00 0.00 H new ATOM 70 N ASN A 5 -5.733 -4.070 9.953 1.00 0.00 N ATOM 71 CA ASN A 5 -5.361 -3.530 8.645 1.00 0.00 C ATOM 72 C ASN A 5 -4.261 -4.346 7.975 1.00 0.00 C ATOM 73 O ASN A 5 -4.543 -5.368 7.349 1.00 0.00 O ATOM 74 CB ASN A 5 -4.970 -2.049 8.742 1.00 0.00 C ATOM 75 CG ASN A 5 -5.923 -1.313 9.666 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.688 -1.247 10.874 1.00 0.00 O ATOM 77 ND2 ASN A 5 -6.983 -0.754 9.182 1.00 0.00 N ATOM 0 H ASN A 5 -5.063 -3.890 10.700 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.245 -3.604 8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.949 -1.959 9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.990 -1.595 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.625 -0.258 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.177 -0.809 8.182 1.00 0.00 H new ATOM 84 N LEU A 6 -3.006 -3.929 8.142 1.00 0.00 N ATOM 85 CA LEU A 6 -1.874 -4.608 7.503 1.00 0.00 C ATOM 86 C LEU A 6 -1.715 -6.038 7.966 1.00 0.00 C ATOM 87 O LEU A 6 -1.260 -6.891 7.203 1.00 0.00 O ATOM 88 CB LEU A 6 -0.569 -3.805 7.626 1.00 0.00 C ATOM 89 CG LEU A 6 -0.667 -2.553 6.732 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.484 -1.591 7.026 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.601 -2.971 5.259 1.00 0.00 C ATOM 0 H LEU A 6 -2.746 -3.125 8.713 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.110 -4.659 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.401 -3.515 8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.281 -4.418 7.325 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.612 -2.052 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.398 -0.714 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.443 -1.283 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.434 -2.090 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.670 -2.086 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.343 -3.481 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.429 -3.643 5.034 1.00 0.00 H new ATOM 103 N LYS A 7 -2.172 -6.329 9.168 1.00 0.00 N ATOM 104 CA LYS A 7 -2.136 -7.700 9.661 1.00 0.00 C ATOM 105 C LYS A 7 -2.801 -8.623 8.660 1.00 0.00 C ATOM 106 O LYS A 7 -2.257 -9.674 8.299 1.00 0.00 O ATOM 107 CB LYS A 7 -2.924 -7.778 10.980 1.00 0.00 C ATOM 108 CG LYS A 7 -3.006 -9.233 11.461 1.00 0.00 C ATOM 109 CD LYS A 7 -3.779 -9.325 12.780 1.00 0.00 C ATOM 110 CE LYS A 7 -3.850 -10.795 13.227 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.531 -10.894 14.540 1.00 0.00 N ATOM 0 H LYS A 7 -2.568 -5.649 9.817 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.099 -7.999 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.440 -7.163 11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.927 -7.377 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.496 -9.845 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.001 -9.634 11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.288 -8.724 13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.784 -8.922 12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.388 -11.384 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.845 -11.211 13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.574 -11.891 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.001 -10.347 15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.496 -10.514 14.460 1.00 0.00 H new ATOM 125 N LEU A 8 -3.983 -8.238 8.248 1.00 0.00 N ATOM 126 CA LEU A 8 -4.777 -8.996 7.310 1.00 0.00 C ATOM 127 C LEU A 8 -4.199 -8.919 5.901 1.00 0.00 C ATOM 128 O LEU A 8 -4.192 -9.906 5.167 1.00 0.00 O ATOM 129 CB LEU A 8 -6.209 -8.496 7.356 1.00 0.00 C ATOM 130 CG LEU A 8 -6.771 -8.757 8.770 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.161 -8.145 8.901 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.859 -10.261 9.037 1.00 0.00 C ATOM 0 H LEU A 8 -4.429 -7.375 8.559 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.760 -10.048 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.247 -7.432 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.814 -9.008 6.607 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.100 -8.300 9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.549 -8.334 9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.103 -7.070 8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.827 -8.593 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.257 -10.430 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.518 -10.723 8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.865 -10.703 8.962 1.00 0.00 H new ATOM 144 N ILE A 9 -3.691 -7.747 5.534 1.00 0.00 N ATOM 145 CA ILE A 9 -3.129 -7.530 4.202 1.00 0.00 C ATOM 146 C ILE A 9 -2.025 -8.545 3.923 1.00 0.00 C ATOM 147 O ILE A 9 -1.766 -8.893 2.762 1.00 0.00 O ATOM 148 CB ILE A 9 -2.586 -6.094 4.059 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.710 -5.069 4.304 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.007 -5.880 2.655 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.819 -5.221 3.260 1.00 0.00 C ATOM 0 H ILE A 9 -3.656 -6.929 6.142 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.925 -7.665 3.470 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.799 -5.953 4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.123 -5.207 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.303 -4.059 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.628 -4.862 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.194 -6.586 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.788 -6.040 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.602 -4.488 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.406 -5.059 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.239 -6.225 3.319 1.00 0.00 H new ATOM 163 N ARG A 10 -1.429 -9.074 4.984 1.00 0.00 N ATOM 164 CA ARG A 10 -0.387 -10.076 4.818 1.00 0.00 C ATOM 165 C ARG A 10 -0.954 -11.230 4.029 1.00 0.00 C ATOM 166 O ARG A 10 -0.255 -11.841 3.240 1.00 0.00 O ATOM 167 CB ARG A 10 0.066 -10.625 6.172 1.00 0.00 C ATOM 168 CG ARG A 10 0.805 -9.565 6.988 1.00 0.00 C ATOM 169 CD ARG A 10 1.166 -10.173 8.341 1.00 0.00 C ATOM 170 NE ARG A 10 -0.062 -10.529 9.052 1.00 0.00 N ATOM 171 CZ ARG A 10 -0.050 -11.223 10.191 1.00 0.00 C ATOM 172 NH1 ARG A 10 1.086 -11.549 10.751 1.00 0.00 N ATOM 173 NH2 ARG A 10 -1.171 -11.584 10.737 1.00 0.00 N ATOM 0 H ARG A 10 -1.644 -8.831 5.951 1.00 0.00 H new ATOM 0 HA ARG A 10 0.460 -9.613 4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.801 -10.977 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.717 -11.486 6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.704 -9.241 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.179 -8.683 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.789 -11.057 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.748 -9.463 8.929 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.958 -10.236 8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.967 -11.272 10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.091 -12.080 11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.056 -11.337 10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.166 -12.115 11.608 1.00 0.00 H new ATOM 187 N GLU A 11 -2.219 -11.544 4.268 1.00 0.00 N ATOM 188 CA GLU A 11 -2.873 -12.643 3.577 1.00 0.00 C ATOM 189 C GLU A 11 -3.025 -12.366 2.091 1.00 0.00 C ATOM 190 O GLU A 11 -2.804 -13.259 1.271 1.00 0.00 O ATOM 191 CB GLU A 11 -4.223 -12.977 4.214 1.00 0.00 C ATOM 192 CG GLU A 11 -4.011 -13.967 5.372 1.00 0.00 C ATOM 193 CD GLU A 11 -3.848 -15.378 4.833 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.910 -15.615 4.104 1.00 0.00 O ATOM 195 OE2 GLU A 11 -4.670 -16.203 5.144 1.00 0.00 O ATOM 0 H GLU A 11 -2.812 -11.052 4.936 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.228 -13.515 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.699 -12.068 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.892 -13.409 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.128 -13.684 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.860 -13.926 6.055 1.00 0.00 H new ATOM 202 N LYS A 12 -3.368 -11.127 1.728 1.00 0.00 N ATOM 203 CA LYS A 12 -3.472 -10.804 0.316 1.00 0.00 C ATOM 204 C LYS A 12 -2.122 -10.934 -0.349 1.00 0.00 C ATOM 205 O LYS A 12 -2.016 -11.450 -1.460 1.00 0.00 O ATOM 206 CB LYS A 12 -4.066 -9.410 0.059 1.00 0.00 C ATOM 207 CG LYS A 12 -5.550 -9.392 0.464 1.00 0.00 C ATOM 208 CD LYS A 12 -6.275 -8.223 -0.221 1.00 0.00 C ATOM 209 CE LYS A 12 -5.938 -6.887 0.452 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.794 -5.822 -0.125 1.00 0.00 N ATOM 0 H LYS A 12 -3.570 -10.361 2.371 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.166 -11.522 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.516 -8.660 0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.964 -9.150 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.021 -10.335 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.638 -9.299 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.993 -8.184 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.352 -8.389 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.099 -6.957 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.886 -6.646 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.952 -5.080 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.323 -5.410 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.708 -6.228 -0.411 1.00 0.00 H new ATOM 224 N LYS A 13 -1.093 -10.482 0.340 1.00 0.00 N ATOM 225 CA LYS A 13 0.261 -10.570 -0.179 1.00 0.00 C ATOM 226 C LYS A 13 0.881 -11.916 0.184 1.00 0.00 C ATOM 227 O LYS A 13 2.024 -12.196 -0.177 1.00 0.00 O ATOM 228 CB LYS A 13 1.119 -9.424 0.372 1.00 0.00 C ATOM 229 CG LYS A 13 2.116 -8.981 -0.697 1.00 0.00 C ATOM 230 CD LYS A 13 1.378 -8.165 -1.763 1.00 0.00 C ATOM 231 CE LYS A 13 2.380 -7.646 -2.780 1.00 0.00 C ATOM 232 NZ LYS A 13 2.922 -8.781 -3.570 1.00 0.00 N ATOM 0 H LYS A 13 -1.167 -10.050 1.261 1.00 0.00 H new ATOM 0 HA LYS A 13 0.223 -10.485 -1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.485 -8.587 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.649 -9.749 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.908 -8.383 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.591 -9.850 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.628 -8.783 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.849 -7.333 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.901 -6.925 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.191 -7.123 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.387 -8.417 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.614 -9.305 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.145 -9.417 -3.842 1.00 0.00 H new ATOM 246 N LYS A 14 0.173 -12.659 1.024 1.00 0.00 N ATOM 247 CA LYS A 14 0.646 -13.916 1.598 1.00 0.00 C ATOM 248 C LYS A 14 2.149 -13.928 1.839 1.00 0.00 C ATOM 249 O LYS A 14 2.904 -14.624 1.150 1.00 0.00 O ATOM 250 CB LYS A 14 0.190 -15.142 0.798 1.00 0.00 C ATOM 251 CG LYS A 14 -0.658 -16.033 1.724 1.00 0.00 C ATOM 252 CD LYS A 14 -1.246 -17.198 0.940 1.00 0.00 C ATOM 253 CE LYS A 14 -2.006 -18.120 1.905 1.00 0.00 C ATOM 254 NZ LYS A 14 -3.162 -17.391 2.484 1.00 0.00 N ATOM 0 H LYS A 14 -0.764 -12.402 1.333 1.00 0.00 H new ATOM 0 HA LYS A 14 0.172 -13.985 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.392 -14.834 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.052 -15.694 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.043 -16.409 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.459 -15.445 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.918 -16.829 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.453 -17.751 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.351 -19.010 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.341 -18.458 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.869 -18.074 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.839 -16.804 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.589 -16.783 1.756 1.00 0.00 H new ATOM 268 N ILE A 15 2.561 -13.235 2.879 1.00 0.00 N ATOM 269 CA ILE A 15 3.945 -13.244 3.306 1.00 0.00 C ATOM 270 C ILE A 15 4.067 -13.999 4.608 1.00 0.00 C ATOM 271 O ILE A 15 3.746 -13.455 5.670 1.00 0.00 O ATOM 272 CB ILE A 15 4.467 -11.804 3.529 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.292 -10.826 3.683 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.393 -11.364 2.389 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.802 -9.502 4.240 1.00 0.00 C ATOM 0 H ILE A 15 1.950 -12.652 3.450 1.00 0.00 H new ATOM 0 HA ILE A 15 4.535 -13.723 2.525 1.00 0.00 H new ATOM 0 HB ILE A 15 5.050 -11.796 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.810 -10.665 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.539 -11.247 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.743 -10.349 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.248 -12.038 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.848 -11.392 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.969 -8.808 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.264 -9.670 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.539 -9.079 3.557 1.00 0.00 H new ATOM 287 N SER A 16 4.710 -15.140 4.567 1.00 0.00 N ATOM 288 CA SER A 16 5.069 -15.802 5.787 1.00 0.00 C ATOM 289 C SER A 16 6.294 -15.098 6.329 1.00 0.00 C ATOM 290 O SER A 16 6.958 -14.349 5.583 1.00 0.00 O ATOM 291 CB SER A 16 5.355 -17.291 5.537 1.00 0.00 C ATOM 292 OG SER A 16 6.519 -17.430 4.723 1.00 0.00 O ATOM 0 H SER A 16 4.990 -15.621 3.712 1.00 0.00 H new ATOM 0 HA SER A 16 4.251 -15.756 6.506 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.500 -17.807 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.500 -17.758 5.048 1.00 0.00 H new ATOM 0 HG SER A 16 7.216 -17.899 5.227 1.00 0.00 H new ATOM 298 N GLN A 17 6.640 -15.335 7.579 1.00 0.00 N ATOM 299 CA GLN A 17 7.832 -14.708 8.126 1.00 0.00 C ATOM 300 C GLN A 17 8.993 -14.928 7.167 1.00 0.00 C ATOM 301 O GLN A 17 9.867 -14.081 7.024 1.00 0.00 O ATOM 302 CB GLN A 17 8.166 -15.279 9.504 1.00 0.00 C ATOM 303 CG GLN A 17 7.124 -14.806 10.530 1.00 0.00 C ATOM 304 CD GLN A 17 7.250 -13.299 10.759 1.00 0.00 C ATOM 305 OE1 GLN A 17 6.249 -12.577 10.767 1.00 0.00 O ATOM 306 NE2 GLN A 17 8.427 -12.777 10.948 1.00 0.00 N ATOM 0 H GLN A 17 6.130 -15.940 8.222 1.00 0.00 H new ATOM 0 HA GLN A 17 7.650 -13.640 8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.181 -16.368 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.162 -14.958 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.121 -15.044 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.264 -15.337 11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.256 -13.372 10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.521 -11.773 11.102 1.00 0.00 H new ATOM 315 N SER A 18 8.937 -16.040 6.454 1.00 0.00 N ATOM 316 CA SER A 18 9.930 -16.380 5.456 1.00 0.00 C ATOM 317 C SER A 18 9.993 -15.308 4.359 1.00 0.00 C ATOM 318 O SER A 18 11.033 -14.661 4.161 1.00 0.00 O ATOM 319 CB SER A 18 9.563 -17.734 4.845 1.00 0.00 C ATOM 320 OG SER A 18 8.494 -18.312 5.613 1.00 0.00 O ATOM 0 H SER A 18 8.196 -16.734 6.554 1.00 0.00 H new ATOM 0 HA SER A 18 10.911 -16.433 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.257 -17.609 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.429 -18.396 4.845 1.00 0.00 H new ATOM 0 HG SER A 18 8.248 -19.180 5.230 1.00 0.00 H new ATOM 326 N GLU A 19 8.874 -15.099 3.659 1.00 0.00 N ATOM 327 CA GLU A 19 8.821 -14.072 2.619 1.00 0.00 C ATOM 328 C GLU A 19 8.943 -12.706 3.247 1.00 0.00 C ATOM 329 O GLU A 19 9.622 -11.822 2.721 1.00 0.00 O ATOM 330 CB GLU A 19 7.508 -14.138 1.839 1.00 0.00 C ATOM 331 CG GLU A 19 7.408 -15.464 1.082 1.00 0.00 C ATOM 332 CD GLU A 19 6.894 -16.541 2.001 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.841 -16.353 2.571 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.548 -17.535 2.132 1.00 0.00 O ATOM 0 H GLU A 19 8.006 -15.619 3.791 1.00 0.00 H new ATOM 0 HA GLU A 19 9.648 -14.251 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.665 -14.037 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.451 -13.306 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.741 -15.355 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.386 -15.744 0.690 1.00 0.00 H new ATOM 341 N LEU A 20 8.281 -12.534 4.378 1.00 0.00 N ATOM 342 CA LEU A 20 8.283 -11.255 5.055 1.00 0.00 C ATOM 343 C LEU A 20 9.707 -10.888 5.425 1.00 0.00 C ATOM 344 O LEU A 20 10.172 -9.786 5.133 1.00 0.00 O ATOM 345 CB LEU A 20 7.392 -11.317 6.310 1.00 0.00 C ATOM 346 CG LEU A 20 6.975 -9.900 6.739 1.00 0.00 C ATOM 347 CD1 LEU A 20 5.654 -9.956 7.507 1.00 0.00 C ATOM 348 CD2 LEU A 20 8.053 -9.288 7.633 1.00 0.00 C ATOM 0 H LEU A 20 7.738 -13.262 4.843 1.00 0.00 H new ATOM 0 HA LEU A 20 7.880 -10.490 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.506 -11.918 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.929 -11.807 7.122 1.00 0.00 H new ATOM 0 HG LEU A 20 6.851 -9.285 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.365 -8.949 7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.879 -10.380 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.775 -10.579 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.751 -8.285 7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.185 -9.907 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.993 -9.235 7.085 1.00 0.00 H new ATOM 360 N ALA A 21 10.440 -11.859 5.939 1.00 0.00 N ATOM 361 CA ALA A 21 11.854 -11.660 6.225 1.00 0.00 C ATOM 362 C ALA A 21 12.632 -11.423 4.944 1.00 0.00 C ATOM 363 O ALA A 21 13.555 -10.616 4.914 1.00 0.00 O ATOM 364 CB ALA A 21 12.454 -12.818 7.021 1.00 0.00 C ATOM 0 H ALA A 21 10.085 -12.788 6.167 1.00 0.00 H new ATOM 0 HA ALA A 21 11.933 -10.771 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.510 -12.622 7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.929 -12.917 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.352 -13.742 6.452 1.00 0.00 H new ATOM 370 N ALA A 22 12.231 -12.068 3.865 1.00 0.00 N ATOM 371 CA ALA A 22 12.889 -11.828 2.590 1.00 0.00 C ATOM 372 C ALA A 22 12.781 -10.350 2.262 1.00 0.00 C ATOM 373 O ALA A 22 13.744 -9.724 1.816 1.00 0.00 O ATOM 374 CB ALA A 22 12.239 -12.648 1.472 1.00 0.00 C ATOM 0 H ALA A 22 11.471 -12.748 3.841 1.00 0.00 H new ATOM 0 HA ALA A 22 13.934 -12.129 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.751 -12.449 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.314 -13.709 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.189 -12.370 1.380 1.00 0.00 H new ATOM 380 N LEU A 23 11.626 -9.790 2.547 1.00 0.00 N ATOM 381 CA LEU A 23 11.385 -8.368 2.355 1.00 0.00 C ATOM 382 C LEU A 23 12.238 -7.537 3.325 1.00 0.00 C ATOM 383 O LEU A 23 12.581 -6.397 3.030 1.00 0.00 O ATOM 384 CB LEU A 23 9.895 -8.046 2.527 1.00 0.00 C ATOM 385 CG LEU A 23 9.072 -8.806 1.462 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.581 -8.544 1.664 1.00 0.00 C ATOM 387 CD2 LEU A 23 9.475 -8.370 0.048 1.00 0.00 C ATOM 0 H LEU A 23 10.826 -10.302 2.918 1.00 0.00 H new ATOM 0 HA LEU A 23 11.676 -8.105 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.565 -8.329 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.731 -6.973 2.430 1.00 0.00 H new ATOM 0 HG LEU A 23 9.275 -9.871 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.011 -9.084 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.283 -8.884 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.384 -7.476 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.883 -8.918 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.297 -7.301 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.533 -8.581 -0.110 1.00 0.00 H new ATOM 399 N LEU A 24 12.511 -8.103 4.507 1.00 0.00 N ATOM 400 CA LEU A 24 13.252 -7.435 5.615 1.00 0.00 C ATOM 401 C LEU A 24 14.600 -6.803 5.201 1.00 0.00 C ATOM 402 O LEU A 24 15.454 -6.558 6.055 1.00 0.00 O ATOM 403 CB LEU A 24 13.453 -8.365 6.831 1.00 0.00 C ATOM 404 CG LEU A 24 12.457 -8.029 7.959 1.00 0.00 C ATOM 405 CD1 LEU A 24 12.628 -6.577 8.393 1.00 0.00 C ATOM 406 CD2 LEU A 24 11.024 -8.251 7.490 1.00 0.00 C ATOM 0 H LEU A 24 12.224 -9.054 4.737 1.00 0.00 H new ATOM 0 HA LEU A 24 12.601 -6.609 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.323 -9.403 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.473 -8.268 7.202 1.00 0.00 H new ATOM 0 HG LEU A 24 12.661 -8.687 8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.920 -6.350 9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.644 -6.423 8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.442 -5.919 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.335 -8.009 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.818 -7.609 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.893 -9.294 7.202 1.00 0.00 H new ATOM 418 N GLU A 25 14.789 -6.520 3.925 1.00 0.00 N ATOM 419 CA GLU A 25 16.026 -5.895 3.455 1.00 0.00 C ATOM 420 C GLU A 25 16.272 -4.592 4.228 1.00 0.00 C ATOM 421 O GLU A 25 17.383 -4.036 4.199 1.00 0.00 O ATOM 422 CB GLU A 25 15.921 -5.578 1.955 1.00 0.00 C ATOM 423 CG GLU A 25 15.795 -6.880 1.135 1.00 0.00 C ATOM 424 CD GLU A 25 17.062 -7.715 1.215 1.00 0.00 C ATOM 425 OE1 GLU A 25 18.097 -7.182 1.565 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.979 -8.885 0.924 1.00 0.00 O ATOM 0 H GLU A 25 14.106 -6.710 3.191 1.00 0.00 H new ATOM 0 HA GLU A 25 16.853 -6.585 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.056 -4.941 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 25 16.801 -5.022 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.951 -7.463 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.584 -6.636 0.094 1.00 0.00 H new ATOM 433 N VAL A 26 15.241 -4.120 4.912 1.00 0.00 N ATOM 434 CA VAL A 26 15.311 -2.905 5.704 1.00 0.00 C ATOM 435 C VAL A 26 15.412 -3.242 7.194 1.00 0.00 C ATOM 436 O VAL A 26 14.822 -4.216 7.666 1.00 0.00 O ATOM 437 CB VAL A 26 14.078 -2.031 5.437 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.195 -1.412 4.044 1.00 0.00 C ATOM 439 CG2 VAL A 26 12.809 -2.897 5.493 1.00 0.00 C ATOM 0 H VAL A 26 14.327 -4.573 4.932 1.00 0.00 H new ATOM 0 HA VAL A 26 16.204 -2.351 5.415 1.00 0.00 H new ATOM 0 HB VAL A 26 14.019 -1.247 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.322 -0.790 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.096 -0.800 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.251 -2.204 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.935 -2.274 5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.869 -3.679 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.723 -3.353 6.479 1.00 0.00 H new ATOM 449 N SER A 27 16.246 -2.495 7.895 1.00 0.00 N ATOM 450 CA SER A 27 16.554 -2.748 9.295 1.00 0.00 C ATOM 451 C SER A 27 15.281 -2.984 10.123 1.00 0.00 C ATOM 452 O SER A 27 14.392 -2.114 10.187 1.00 0.00 O ATOM 453 CB SER A 27 17.322 -1.544 9.848 1.00 0.00 C ATOM 454 OG SER A 27 18.125 -0.983 8.804 1.00 0.00 O ATOM 0 H SER A 27 16.734 -1.688 7.507 1.00 0.00 H new ATOM 0 HA SER A 27 17.158 -3.653 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.626 -0.797 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.951 -1.850 10.683 1.00 0.00 H new ATOM 0 HG SER A 27 18.619 -0.210 9.150 1.00 0.00 H new ATOM 460 N ARG A 28 15.245 -4.128 10.821 1.00 0.00 N ATOM 461 CA ARG A 28 14.104 -4.511 11.667 1.00 0.00 C ATOM 462 C ARG A 28 13.897 -3.500 12.773 1.00 0.00 C ATOM 463 O ARG A 28 12.761 -3.147 13.101 1.00 0.00 O ATOM 464 CB ARG A 28 14.342 -5.896 12.283 1.00 0.00 C ATOM 465 CG ARG A 28 14.223 -6.970 11.200 1.00 0.00 C ATOM 466 CD ARG A 28 14.617 -8.335 11.768 1.00 0.00 C ATOM 467 NE ARG A 28 13.734 -8.726 12.862 1.00 0.00 N ATOM 468 CZ ARG A 28 13.955 -9.837 13.569 1.00 0.00 C ATOM 469 NH1 ARG A 28 14.978 -10.606 13.270 1.00 0.00 N ATOM 470 NH2 ARG A 28 13.160 -10.157 14.544 1.00 0.00 N ATOM 0 H ARG A 28 16.002 -4.812 10.816 1.00 0.00 H new ATOM 0 HA ARG A 28 13.212 -4.540 11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.330 -5.936 12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.616 -6.082 13.075 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.201 -7.006 10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.866 -6.719 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.577 -9.086 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.647 -8.301 12.123 1.00 0.00 H new ATOM 0 HE ARG A 28 12.932 -8.139 13.091 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.599 -10.353 12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.151 -11.456 13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.365 -9.559 14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.330 -11.006 15.083 1.00 0.00 H new ATOM 484 N GLN A 29 14.991 -3.011 13.322 1.00 0.00 N ATOM 485 CA GLN A 29 14.928 -2.007 14.374 1.00 0.00 C ATOM 486 C GLN A 29 13.893 -0.942 14.033 1.00 0.00 C ATOM 487 O GLN A 29 13.227 -0.398 14.915 1.00 0.00 O ATOM 488 CB GLN A 29 16.310 -1.357 14.576 1.00 0.00 C ATOM 489 CG GLN A 29 17.014 -1.187 13.221 1.00 0.00 C ATOM 490 CD GLN A 29 18.363 -0.513 13.417 1.00 0.00 C ATOM 491 OE1 GLN A 29 19.265 -1.094 14.025 1.00 0.00 O ATOM 492 NE2 GLN A 29 18.563 0.674 12.947 1.00 0.00 N ATOM 0 H GLN A 29 15.936 -3.290 13.059 1.00 0.00 H new ATOM 0 HA GLN A 29 14.631 -2.497 15.301 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.198 -0.387 15.061 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.919 -1.975 15.236 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.149 -2.159 12.748 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.394 -0.590 12.552 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.818 1.156 12.444 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.466 1.129 13.079 1.00 0.00 H new ATOM 501 N THR A 30 13.751 -0.661 12.748 1.00 0.00 N ATOM 502 CA THR A 30 12.807 0.332 12.287 1.00 0.00 C ATOM 503 C THR A 30 11.373 -0.097 12.634 1.00 0.00 C ATOM 504 O THR A 30 10.618 0.667 13.239 1.00 0.00 O ATOM 505 CB THR A 30 12.951 0.479 10.768 1.00 0.00 C ATOM 506 OG1 THR A 30 14.342 0.458 10.439 1.00 0.00 O ATOM 507 CG2 THR A 30 12.363 1.819 10.319 1.00 0.00 C ATOM 0 H THR A 30 14.284 -1.113 12.005 1.00 0.00 H new ATOM 0 HA THR A 30 13.011 1.285 12.776 1.00 0.00 H new ATOM 0 HB THR A 30 12.424 -0.335 10.270 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.552 -0.369 9.957 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.468 1.919 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.307 1.861 10.587 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.895 2.633 10.812 1.00 0.00 H new ATOM 515 N ILE A 31 11.026 -1.334 12.287 1.00 0.00 N ATOM 516 CA ILE A 31 9.701 -1.874 12.571 1.00 0.00 C ATOM 517 C ILE A 31 9.589 -2.370 14.013 1.00 0.00 C ATOM 518 O ILE A 31 8.495 -2.426 14.574 1.00 0.00 O ATOM 519 CB ILE A 31 9.323 -2.969 11.554 1.00 0.00 C ATOM 520 CG1 ILE A 31 7.842 -3.347 11.702 1.00 0.00 C ATOM 521 CG2 ILE A 31 10.183 -4.212 11.763 1.00 0.00 C ATOM 522 CD1 ILE A 31 7.395 -4.143 10.474 1.00 0.00 C ATOM 0 H ILE A 31 11.648 -1.983 11.806 1.00 0.00 H new ATOM 0 HA ILE A 31 8.981 -1.063 12.463 1.00 0.00 H new ATOM 0 HB ILE A 31 9.498 -2.576 10.552 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.695 -3.938 12.606 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.235 -2.448 11.807 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.903 -4.975 11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.234 -3.954 11.631 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.028 -4.597 12.771 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.344 -4.412 10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.528 -3.536 9.579 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.995 -5.049 10.390 1.00 0.00 H new ATOM 534 N ASN A 32 10.722 -2.774 14.598 1.00 0.00 N ATOM 535 CA ASN A 32 10.717 -3.326 15.963 1.00 0.00 C ATOM 536 C ASN A 32 9.882 -2.475 16.901 1.00 0.00 C ATOM 537 O ASN A 32 9.357 -2.967 17.901 1.00 0.00 O ATOM 538 CB ASN A 32 12.123 -3.498 16.534 1.00 0.00 C ATOM 539 CG ASN A 32 12.080 -4.566 17.622 1.00 0.00 C ATOM 540 OD1 ASN A 32 11.654 -5.700 17.361 1.00 0.00 O ATOM 541 ND2 ASN A 32 12.474 -4.288 18.825 1.00 0.00 N ATOM 0 H ASN A 32 11.642 -2.732 14.159 1.00 0.00 H new ATOM 0 HA ASN A 32 10.268 -4.316 15.885 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.818 -3.788 15.746 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.483 -2.554 16.944 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.433 -5.001 19.553 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.825 -3.356 19.044 1.00 0.00 H new ATOM 548 N GLY A 33 9.716 -1.213 16.539 1.00 0.00 N ATOM 549 CA GLY A 33 8.867 -0.305 17.298 1.00 0.00 C ATOM 550 C GLY A 33 7.516 -0.945 17.612 1.00 0.00 C ATOM 551 O GLY A 33 6.806 -0.490 18.508 1.00 0.00 O ATOM 0 H GLY A 33 10.159 -0.792 15.722 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.366 -0.028 18.227 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.714 0.614 16.731 1.00 0.00 H new ATOM 555 N ILE A 34 7.199 -2.046 16.925 1.00 0.00 N ATOM 556 CA ILE A 34 5.960 -2.786 17.170 1.00 0.00 C ATOM 557 C ILE A 34 5.801 -3.115 18.645 1.00 0.00 C ATOM 558 O ILE A 34 4.689 -3.284 19.128 1.00 0.00 O ATOM 559 CB ILE A 34 5.924 -4.081 16.341 1.00 0.00 C ATOM 560 CG1 ILE A 34 7.166 -4.934 16.658 1.00 0.00 C ATOM 561 CG2 ILE A 34 5.886 -3.759 14.841 1.00 0.00 C ATOM 562 CD1 ILE A 34 7.047 -6.291 15.965 1.00 0.00 C ATOM 0 H ILE A 34 7.786 -2.445 16.193 1.00 0.00 H new ATOM 0 HA ILE A 34 5.131 -2.148 16.865 1.00 0.00 H new ATOM 0 HB ILE A 34 5.024 -4.638 16.601 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.067 -4.421 16.322 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.260 -5.072 17.735 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.861 -4.687 14.270 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.996 -3.171 14.617 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.775 -3.189 14.569 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.927 -6.893 16.191 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.154 -6.805 16.322 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.974 -6.144 14.887 1.00 0.00 H new ATOM 574 N GLU A 35 6.901 -3.122 19.374 1.00 0.00 N ATOM 575 CA GLU A 35 6.818 -3.364 20.800 1.00 0.00 C ATOM 576 C GLU A 35 5.920 -2.294 21.429 1.00 0.00 C ATOM 577 O GLU A 35 4.955 -2.613 22.138 1.00 0.00 O ATOM 578 CB GLU A 35 8.220 -3.322 21.420 1.00 0.00 C ATOM 579 CG GLU A 35 9.038 -4.523 20.912 1.00 0.00 C ATOM 580 CD GLU A 35 10.477 -4.473 21.415 1.00 0.00 C ATOM 581 OE1 GLU A 35 10.845 -3.506 22.057 1.00 0.00 O ATOM 582 OE2 GLU A 35 11.197 -5.406 21.133 1.00 0.00 O ATOM 0 H GLU A 35 7.842 -2.967 19.012 1.00 0.00 H new ATOM 0 HA GLU A 35 6.393 -4.350 20.987 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.719 -2.390 21.156 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.150 -3.349 22.507 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.568 -5.450 21.242 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.033 -4.533 19.822 1.00 0.00 H new ATOM 589 N LYS A 36 6.116 -1.047 21.018 1.00 0.00 N ATOM 590 CA LYS A 36 5.201 0.021 21.402 1.00 0.00 C ATOM 591 C LYS A 36 4.197 0.306 20.282 1.00 0.00 C ATOM 592 O LYS A 36 3.162 0.925 20.506 1.00 0.00 O ATOM 593 CB LYS A 36 5.971 1.298 21.745 1.00 0.00 C ATOM 594 CG LYS A 36 6.854 1.076 22.985 1.00 0.00 C ATOM 595 CD LYS A 36 5.972 0.725 24.197 1.00 0.00 C ATOM 596 CE LYS A 36 6.727 1.013 25.507 1.00 0.00 C ATOM 597 NZ LYS A 36 8.198 0.886 25.300 1.00 0.00 N ATOM 0 H LYS A 36 6.892 -0.752 20.425 1.00 0.00 H new ATOM 0 HA LYS A 36 4.656 -0.310 22.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.590 1.595 20.899 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.272 2.113 21.930 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.566 0.272 22.797 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.435 1.974 23.194 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.050 1.306 24.165 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.688 -0.327 24.156 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.488 2.017 25.858 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.401 0.319 26.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.673 0.813 26.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.397 0.033 24.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.551 1.723 24.794 1.00 0.00 H new ATOM 611 N ASN A 37 4.523 -0.127 19.079 1.00 0.00 N ATOM 612 CA ASN A 37 3.675 0.060 17.897 1.00 0.00 C ATOM 613 C ASN A 37 2.792 -1.139 17.602 1.00 0.00 C ATOM 614 O ASN A 37 2.523 -1.423 16.436 1.00 0.00 O ATOM 615 CB ASN A 37 4.468 0.464 16.658 1.00 0.00 C ATOM 616 CG ASN A 37 3.565 1.295 15.755 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.810 2.485 15.574 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.529 0.753 15.196 1.00 0.00 N ATOM 0 H ASN A 37 5.391 -0.625 18.883 1.00 0.00 H new ATOM 0 HA ASN A 37 3.017 0.891 18.152 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.350 1.038 16.943 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.821 -0.421 16.129 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.916 1.315 14.605 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.327 -0.235 15.347 1.00 0.00 H new ATOM 625 N LYS A 38 2.599 -1.986 18.591 1.00 0.00 N ATOM 626 CA LYS A 38 2.003 -3.304 18.375 1.00 0.00 C ATOM 627 C LYS A 38 0.708 -3.219 17.562 1.00 0.00 C ATOM 628 O LYS A 38 0.412 -4.104 16.753 1.00 0.00 O ATOM 629 CB LYS A 38 1.754 -4.005 19.704 1.00 0.00 C ATOM 630 CG LYS A 38 1.677 -5.510 19.473 1.00 0.00 C ATOM 631 CD LYS A 38 3.088 -6.056 19.219 1.00 0.00 C ATOM 632 CE LYS A 38 3.017 -7.567 19.026 1.00 0.00 C ATOM 633 NZ LYS A 38 2.438 -8.176 20.249 1.00 0.00 N ATOM 0 H LYS A 38 2.845 -1.791 19.561 1.00 0.00 H new ATOM 0 HA LYS A 38 2.715 -3.892 17.796 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.555 -3.774 20.406 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.826 -3.646 20.150 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.235 -6.001 20.340 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.032 -5.726 18.621 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.519 -5.585 18.336 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.740 -5.815 20.059 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.405 -7.809 18.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.012 -7.971 18.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.701 -9.181 20.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.805 -7.684 21.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.402 -8.090 20.223 1.00 0.00 H new ATOM 647 N TYR A 39 -0.024 -2.138 17.739 1.00 0.00 N ATOM 648 CA TYR A 39 -1.220 -1.882 16.933 1.00 0.00 C ATOM 649 C TYR A 39 -0.845 -1.877 15.448 1.00 0.00 C ATOM 650 O TYR A 39 0.313 -2.106 15.097 1.00 0.00 O ATOM 651 CB TYR A 39 -1.880 -0.547 17.328 1.00 0.00 C ATOM 652 CG TYR A 39 -0.850 0.366 17.946 1.00 0.00 C ATOM 653 CD1 TYR A 39 -0.075 1.202 17.136 1.00 0.00 C ATOM 654 CD2 TYR A 39 -0.661 0.365 19.329 1.00 0.00 C ATOM 655 CE1 TYR A 39 0.886 2.034 17.709 1.00 0.00 C ATOM 656 CE2 TYR A 39 0.302 1.193 19.901 1.00 0.00 C ATOM 657 CZ TYR A 39 1.075 2.029 19.094 1.00 0.00 C ATOM 658 OH TYR A 39 2.034 2.833 19.663 1.00 0.00 O ATOM 0 H TYR A 39 0.181 -1.418 18.431 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.943 -2.676 17.119 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.320 -0.074 16.450 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.691 -0.726 18.033 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.221 1.203 16.066 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.261 -0.278 19.956 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.483 2.681 17.084 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.451 1.188 20.971 1.00 0.00 H new ATOM 0 HH TYR A 39 2.388 2.400 20.468 1.00 0.00 H new ATOM 668 N ASN A 40 -1.808 -1.648 14.575 1.00 0.00 N ATOM 669 CA ASN A 40 -1.509 -1.675 13.150 1.00 0.00 C ATOM 670 C ASN A 40 -0.467 -0.614 12.820 1.00 0.00 C ATOM 671 O ASN A 40 -0.587 0.539 13.248 1.00 0.00 O ATOM 672 CB ASN A 40 -2.763 -1.438 12.311 1.00 0.00 C ATOM 673 CG ASN A 40 -2.381 -1.414 10.835 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.241 -2.474 10.208 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.196 -0.277 10.237 1.00 0.00 N ATOM 0 H ASN A 40 -2.779 -1.446 14.814 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.120 -2.664 12.908 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.494 -2.225 12.497 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.231 -0.495 12.593 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.935 -0.256 9.251 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.311 0.595 10.753 1.00 0.00 H new ATOM 682 N PRO A 41 0.590 -0.993 12.135 1.00 0.00 N ATOM 683 CA PRO A 41 1.714 -0.052 11.834 1.00 0.00 C ATOM 684 C PRO A 41 1.251 1.168 11.054 1.00 0.00 C ATOM 685 O PRO A 41 0.360 1.079 10.208 1.00 0.00 O ATOM 686 CB PRO A 41 2.684 -0.891 10.994 1.00 0.00 C ATOM 687 CG PRO A 41 2.393 -2.301 11.380 1.00 0.00 C ATOM 688 CD PRO A 41 0.891 -2.357 11.642 1.00 0.00 C ATOM 0 HA PRO A 41 2.162 0.344 12.745 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.525 -0.731 9.928 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.721 -0.628 11.205 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.678 -2.991 10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.956 -2.588 12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.331 -2.592 10.737 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.638 -3.118 12.380 1.00 0.00 H new ATOM 696 N SER A 42 1.873 2.297 11.342 1.00 0.00 N ATOM 697 CA SER A 42 1.551 3.539 10.676 1.00 0.00 C ATOM 698 C SER A 42 1.852 3.427 9.200 1.00 0.00 C ATOM 699 O SER A 42 2.805 2.744 8.791 1.00 0.00 O ATOM 700 CB SER A 42 2.365 4.694 11.282 1.00 0.00 C ATOM 701 OG SER A 42 2.129 5.893 10.538 1.00 0.00 O ATOM 0 H SER A 42 2.612 2.375 12.041 1.00 0.00 H new ATOM 0 HA SER A 42 0.489 3.742 10.813 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.085 4.841 12.325 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.427 4.449 11.269 1.00 0.00 H new ATOM 0 HG SER A 42 2.648 6.627 10.928 1.00 0.00 H new ATOM 707 N LEU A 43 1.110 4.173 8.415 1.00 0.00 N ATOM 708 CA LEU A 43 1.343 4.214 7.000 1.00 0.00 C ATOM 709 C LEU A 43 2.733 4.744 6.734 1.00 0.00 C ATOM 710 O LEU A 43 3.368 4.373 5.752 1.00 0.00 O ATOM 711 CB LEU A 43 0.277 5.046 6.275 1.00 0.00 C ATOM 712 CG LEU A 43 -1.105 4.384 6.460 1.00 0.00 C ATOM 713 CD1 LEU A 43 -2.180 5.190 5.727 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.080 2.953 5.920 1.00 0.00 C ATOM 0 H LEU A 43 0.340 4.759 8.738 1.00 0.00 H new ATOM 0 HA LEU A 43 1.270 3.201 6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.262 6.062 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.518 5.121 5.214 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.339 4.362 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.150 4.713 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.213 6.203 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.943 5.230 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.060 2.496 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.831 2.969 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.331 2.373 6.460 1.00 0.00 H new ATOM 726 N GLN A 44 3.236 5.553 7.659 1.00 0.00 N ATOM 727 CA GLN A 44 4.591 6.069 7.541 1.00 0.00 C ATOM 728 C GLN A 44 5.576 4.901 7.415 1.00 0.00 C ATOM 729 O GLN A 44 6.339 4.828 6.444 1.00 0.00 O ATOM 730 CB GLN A 44 4.923 6.917 8.782 1.00 0.00 C ATOM 731 CG GLN A 44 6.328 7.517 8.668 1.00 0.00 C ATOM 732 CD GLN A 44 6.621 8.362 9.902 1.00 0.00 C ATOM 733 OE1 GLN A 44 6.559 7.858 11.024 1.00 0.00 O ATOM 734 NE2 GLN A 44 6.941 9.612 9.769 1.00 0.00 N ATOM 0 H GLN A 44 2.731 5.862 8.490 1.00 0.00 H new ATOM 0 HA GLN A 44 4.672 6.694 6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.189 7.715 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.857 6.300 9.678 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.068 6.722 8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.402 8.129 7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.992 10.029 8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.141 10.178 10.594 1.00 0.00 H new ATOM 743 N LEU A 45 5.443 3.906 8.298 1.00 0.00 N ATOM 744 CA LEU A 45 6.193 2.658 8.146 1.00 0.00 C ATOM 745 C LEU A 45 5.698 1.901 6.932 1.00 0.00 C ATOM 746 O LEU A 45 6.474 1.265 6.206 1.00 0.00 O ATOM 747 CB LEU A 45 6.082 1.758 9.389 1.00 0.00 C ATOM 748 CG LEU A 45 6.821 2.382 10.582 1.00 0.00 C ATOM 749 CD1 LEU A 45 6.601 1.507 11.822 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.327 2.455 10.284 1.00 0.00 C ATOM 0 H LEU A 45 4.832 3.940 9.114 1.00 0.00 H new ATOM 0 HA LEU A 45 7.242 2.926 8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.033 1.609 9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.500 0.775 9.170 1.00 0.00 H new ATOM 0 HG LEU A 45 6.437 3.387 10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.123 1.944 12.673 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.535 1.448 12.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.988 0.506 11.634 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.845 2.899 11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.712 1.451 10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.493 3.068 9.398 1.00 0.00 H new ATOM 762 N ALA A 46 4.385 1.899 6.767 1.00 0.00 N ATOM 763 CA ALA A 46 3.758 1.131 5.714 1.00 0.00 C ATOM 764 C ALA A 46 4.236 1.562 4.347 1.00 0.00 C ATOM 765 O ALA A 46 4.449 0.734 3.482 1.00 0.00 O ATOM 766 CB ALA A 46 2.236 1.195 5.800 1.00 0.00 C ATOM 0 H ALA A 46 3.735 2.423 7.353 1.00 0.00 H new ATOM 0 HA ALA A 46 4.057 0.093 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.801 0.606 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.909 0.794 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.910 2.231 5.710 1.00 0.00 H new ATOM 772 N LEU A 47 4.447 2.849 4.156 1.00 0.00 N ATOM 773 CA LEU A 47 4.941 3.318 2.871 1.00 0.00 C ATOM 774 C LEU A 47 6.306 2.722 2.579 1.00 0.00 C ATOM 775 O LEU A 47 6.554 2.239 1.475 1.00 0.00 O ATOM 776 CB LEU A 47 5.005 4.855 2.816 1.00 0.00 C ATOM 777 CG LEU A 47 3.668 5.449 2.315 1.00 0.00 C ATOM 778 CD1 LEU A 47 3.520 5.202 0.807 1.00 0.00 C ATOM 779 CD2 LEU A 47 2.467 4.849 3.061 1.00 0.00 C ATOM 0 H LEU A 47 4.290 3.576 4.854 1.00 0.00 H new ATOM 0 HA LEU A 47 4.239 2.987 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.233 5.248 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.815 5.165 2.156 1.00 0.00 H new ATOM 0 HG LEU A 47 3.684 6.521 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.576 5.623 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.346 5.678 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.533 4.130 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.545 5.291 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.444 3.770 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.558 5.059 4.127 1.00 0.00 H new ATOM 791 N LYS A 48 7.168 2.682 3.590 1.00 0.00 N ATOM 792 CA LYS A 48 8.474 2.069 3.405 1.00 0.00 C ATOM 793 C LYS A 48 8.353 0.581 3.112 1.00 0.00 C ATOM 794 O LYS A 48 8.999 0.071 2.192 1.00 0.00 O ATOM 795 CB LYS A 48 9.389 2.307 4.616 1.00 0.00 C ATOM 796 CG LYS A 48 9.795 3.791 4.676 1.00 0.00 C ATOM 797 CD LYS A 48 10.727 4.027 5.873 1.00 0.00 C ATOM 798 CE LYS A 48 11.140 5.505 5.923 1.00 0.00 C ATOM 799 NZ LYS A 48 11.786 5.883 4.640 1.00 0.00 N ATOM 0 H LYS A 48 6.991 3.057 4.522 1.00 0.00 H new ATOM 0 HA LYS A 48 8.931 2.550 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.874 2.023 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.277 1.680 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.296 4.078 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.907 4.417 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.224 3.748 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.611 3.395 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.266 6.132 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.827 5.674 6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.370 6.732 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.386 5.101 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.054 6.082 3.928 1.00 0.00 H new ATOM 813 N ILE A 49 7.500 -0.113 3.859 1.00 0.00 N ATOM 814 CA ILE A 49 7.292 -1.533 3.615 1.00 0.00 C ATOM 815 C ILE A 49 6.447 -1.766 2.359 1.00 0.00 C ATOM 816 O ILE A 49 6.551 -2.807 1.719 1.00 0.00 O ATOM 817 CB ILE A 49 6.716 -2.256 4.858 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.825 -3.774 4.675 1.00 0.00 C ATOM 819 CG2 ILE A 49 5.249 -1.883 5.090 1.00 0.00 C ATOM 820 CD1 ILE A 49 6.510 -4.471 6.003 1.00 0.00 C ATOM 0 H ILE A 49 6.951 0.277 4.625 1.00 0.00 H new ATOM 0 HA ILE A 49 8.269 -1.979 3.427 1.00 0.00 H new ATOM 0 HB ILE A 49 7.296 -1.941 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.133 -4.109 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.828 -4.040 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.875 -2.407 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.167 -0.807 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.659 -2.169 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.587 -5.551 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.220 -4.144 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.498 -4.214 6.318 1.00 0.00 H new ATOM 832 N ALA A 50 5.574 -0.808 2.044 1.00 0.00 N ATOM 833 CA ALA A 50 4.650 -0.939 0.911 1.00 0.00 C ATOM 834 C ALA A 50 5.391 -1.219 -0.376 1.00 0.00 C ATOM 835 O ALA A 50 4.872 -1.892 -1.265 1.00 0.00 O ATOM 836 CB ALA A 50 3.795 0.319 0.752 1.00 0.00 C ATOM 0 H ALA A 50 5.486 0.069 2.557 1.00 0.00 H new ATOM 0 HA ALA A 50 3.997 -1.785 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.119 0.195 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.214 0.481 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.442 1.179 0.577 1.00 0.00 H new ATOM 842 N TYR A 51 6.620 -0.745 -0.472 1.00 0.00 N ATOM 843 CA TYR A 51 7.417 -1.073 -1.637 1.00 0.00 C ATOM 844 C TYR A 51 7.590 -2.576 -1.683 1.00 0.00 C ATOM 845 O TYR A 51 7.338 -3.222 -2.698 1.00 0.00 O ATOM 846 CB TYR A 51 8.793 -0.410 -1.562 1.00 0.00 C ATOM 847 CG TYR A 51 8.674 1.080 -1.779 1.00 0.00 C ATOM 848 CD1 TYR A 51 8.713 1.598 -3.078 1.00 0.00 C ATOM 849 CD2 TYR A 51 8.540 1.939 -0.689 1.00 0.00 C ATOM 850 CE1 TYR A 51 8.622 2.979 -3.280 1.00 0.00 C ATOM 851 CE2 TYR A 51 8.447 3.320 -0.893 1.00 0.00 C ATOM 852 CZ TYR A 51 8.491 3.838 -2.189 1.00 0.00 C ATOM 853 OH TYR A 51 8.412 5.198 -2.389 1.00 0.00 O ATOM 0 H TYR A 51 7.076 -0.150 0.220 1.00 0.00 H new ATOM 0 HA TYR A 51 6.912 -0.710 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.246 -0.607 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.453 -0.842 -2.315 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.813 0.933 -3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.508 1.538 0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.653 3.381 -4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.341 3.985 -0.049 1.00 0.00 H new ATOM 0 HH TYR A 51 8.323 5.651 -1.525 1.00 0.00 H new ATOM 863 N TYR A 52 7.939 -3.132 -0.538 1.00 0.00 N ATOM 864 CA TYR A 52 8.067 -4.569 -0.381 1.00 0.00 C ATOM 865 C TYR A 52 6.687 -5.212 -0.441 1.00 0.00 C ATOM 866 O TYR A 52 6.461 -6.163 -1.184 1.00 0.00 O ATOM 867 CB TYR A 52 8.718 -4.868 0.973 1.00 0.00 C ATOM 868 CG TYR A 52 10.095 -4.242 1.017 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.238 -2.911 1.433 1.00 0.00 C ATOM 870 CD2 TYR A 52 11.221 -4.975 0.633 1.00 0.00 C ATOM 871 CE1 TYR A 52 11.499 -2.319 1.466 1.00 0.00 C ATOM 872 CE2 TYR A 52 12.486 -4.379 0.669 1.00 0.00 C ATOM 873 CZ TYR A 52 12.624 -3.054 1.085 1.00 0.00 C ATOM 874 OH TYR A 52 13.868 -2.471 1.111 1.00 0.00 O ATOM 0 H TYR A 52 8.142 -2.601 0.309 1.00 0.00 H new ATOM 0 HA TYR A 52 8.686 -4.975 -1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.101 -4.474 1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.791 -5.945 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.368 -2.343 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.115 -6.000 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.606 -1.293 1.786 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.357 -4.945 0.374 1.00 0.00 H new ATOM 0 HH TYR A 52 13.772 -1.498 1.181 1.00 0.00 H new ATOM 884 N LEU A 53 5.755 -4.626 0.297 1.00 0.00 N ATOM 885 CA LEU A 53 4.363 -5.065 0.300 1.00 0.00 C ATOM 886 C LEU A 53 3.581 -4.304 -0.751 1.00 0.00 C ATOM 887 O LEU A 53 2.848 -3.368 -0.426 1.00 0.00 O ATOM 888 CB LEU A 53 3.724 -4.837 1.689 1.00 0.00 C ATOM 889 CG LEU A 53 3.846 -6.094 2.573 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.780 -7.115 2.167 1.00 0.00 C ATOM 891 CD2 LEU A 53 5.234 -6.717 2.435 1.00 0.00 C ATOM 0 H LEU A 53 5.940 -3.833 0.911 1.00 0.00 H new ATOM 0 HA LEU A 53 4.336 -6.131 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.210 -3.995 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.673 -4.574 1.570 1.00 0.00 H new ATOM 0 HG LEU A 53 3.697 -5.804 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.869 -8.002 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.790 -6.678 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.921 -7.393 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.300 -7.603 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.405 -6.999 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.989 -5.994 2.744 1.00 0.00 H new ATOM 903 N ASN A 54 3.755 -4.680 -2.016 1.00 0.00 N ATOM 904 CA ASN A 54 3.079 -3.979 -3.109 1.00 0.00 C ATOM 905 C ASN A 54 1.565 -4.082 -2.964 1.00 0.00 C ATOM 906 O ASN A 54 0.897 -4.792 -3.725 1.00 0.00 O ATOM 907 CB ASN A 54 3.521 -4.518 -4.476 1.00 0.00 C ATOM 908 CG ASN A 54 3.140 -3.524 -5.570 1.00 0.00 C ATOM 909 OD1 ASN A 54 4.013 -2.991 -6.252 1.00 0.00 O ATOM 910 ND2 ASN A 54 1.890 -3.242 -5.776 1.00 0.00 N ATOM 0 H ASN A 54 4.350 -5.455 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 54 3.364 -2.928 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.598 -4.684 -4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.049 -5.482 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.631 -2.577 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.167 -3.685 -5.209 1.00 0.00 H new ATOM 917 N THR A 55 1.056 -3.423 -1.952 1.00 0.00 N ATOM 918 CA THR A 55 -0.351 -3.443 -1.611 1.00 0.00 C ATOM 919 C THR A 55 -0.783 -2.028 -1.205 1.00 0.00 C ATOM 920 O THR A 55 -0.090 -1.372 -0.425 1.00 0.00 O ATOM 921 CB THR A 55 -0.555 -4.418 -0.435 1.00 0.00 C ATOM 922 OG1 THR A 55 0.714 -4.962 -0.048 1.00 0.00 O ATOM 923 CG2 THR A 55 -1.486 -5.559 -0.854 1.00 0.00 C ATOM 0 H THR A 55 1.618 -2.845 -1.327 1.00 0.00 H new ATOM 0 HA THR A 55 -0.950 -3.769 -2.461 1.00 0.00 H new ATOM 0 HB THR A 55 -1.002 -3.881 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.353 -4.233 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.624 -6.242 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.452 -5.150 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.046 -6.098 -1.693 1.00 0.00 H new ATOM 931 N PRO A 56 -1.844 -1.511 -1.778 1.00 0.00 N ATOM 932 CA PRO A 56 -2.267 -0.103 -1.472 1.00 0.00 C ATOM 933 C PRO A 56 -2.560 0.094 0.016 1.00 0.00 C ATOM 934 O PRO A 56 -3.275 -0.704 0.626 1.00 0.00 O ATOM 935 CB PRO A 56 -3.549 0.076 -2.288 1.00 0.00 C ATOM 936 CG PRO A 56 -3.438 -0.920 -3.392 1.00 0.00 C ATOM 937 CD PRO A 56 -2.732 -2.127 -2.784 1.00 0.00 C ATOM 0 HA PRO A 56 -1.488 0.618 -1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.435 -0.105 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.632 1.091 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.422 -1.193 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.871 -0.515 -4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.438 -2.822 -2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.170 -2.686 -3.532 1.00 0.00 H new ATOM 945 N LEU A 57 -2.084 1.203 0.562 1.00 0.00 N ATOM 946 CA LEU A 57 -2.373 1.568 1.940 1.00 0.00 C ATOM 947 C LEU A 57 -3.838 1.946 2.101 1.00 0.00 C ATOM 948 O LEU A 57 -4.470 1.615 3.099 1.00 0.00 O ATOM 949 CB LEU A 57 -1.476 2.721 2.402 1.00 0.00 C ATOM 950 CG LEU A 57 -0.009 2.248 2.563 1.00 0.00 C ATOM 951 CD1 LEU A 57 0.057 0.916 3.321 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.647 2.074 1.193 1.00 0.00 C ATOM 0 H LEU A 57 -1.492 1.870 0.067 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.166 0.700 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.523 3.536 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.842 3.115 3.350 1.00 0.00 H new ATOM 0 HG LEU A 57 0.525 3.009 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.097 0.605 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.382 1.039 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.497 0.156 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.677 1.742 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.095 1.331 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.637 3.025 0.661 1.00 0.00 H new ATOM 964 N GLU A 58 -4.358 2.674 1.132 1.00 0.00 N ATOM 965 CA GLU A 58 -5.728 3.161 1.197 1.00 0.00 C ATOM 966 C GLU A 58 -6.677 1.989 1.365 1.00 0.00 C ATOM 967 O GLU A 58 -7.781 2.119 1.907 1.00 0.00 O ATOM 968 CB GLU A 58 -6.072 3.930 -0.082 1.00 0.00 C ATOM 969 CG GLU A 58 -5.011 5.001 -0.352 1.00 0.00 C ATOM 970 CD GLU A 58 -3.912 4.420 -1.219 1.00 0.00 C ATOM 971 OE1 GLU A 58 -3.021 3.793 -0.685 1.00 0.00 O ATOM 972 OE2 GLU A 58 -3.987 4.596 -2.411 1.00 0.00 O ATOM 0 H GLU A 58 -3.854 2.943 0.287 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.829 3.832 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.129 3.242 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.053 4.395 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.464 5.859 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.594 5.360 0.589 1.00 0.00 H new ATOM 979 N ASP A 59 -6.238 0.850 0.896 1.00 0.00 N ATOM 980 CA ASP A 59 -6.999 -0.371 1.006 1.00 0.00 C ATOM 981 C ASP A 59 -7.194 -0.769 2.460 1.00 0.00 C ATOM 982 O ASP A 59 -8.202 -1.363 2.815 1.00 0.00 O ATOM 983 CB ASP A 59 -6.262 -1.490 0.281 1.00 0.00 C ATOM 984 CG ASP A 59 -7.036 -2.778 0.385 1.00 0.00 C ATOM 985 OD1 ASP A 59 -8.120 -2.828 -0.134 1.00 0.00 O ATOM 986 OD2 ASP A 59 -6.534 -3.703 0.984 1.00 0.00 O ATOM 0 H ASP A 59 -5.340 0.741 0.425 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.978 -0.204 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.124 -1.224 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.269 -1.619 0.711 1.00 0.00 H new ATOM 991 N ILE A 60 -6.152 -0.572 3.259 1.00 0.00 N ATOM 992 CA ILE A 60 -6.116 -1.108 4.621 1.00 0.00 C ATOM 993 C ILE A 60 -6.995 -0.324 5.594 1.00 0.00 C ATOM 994 O ILE A 60 -7.228 -0.785 6.717 1.00 0.00 O ATOM 995 CB ILE A 60 -4.660 -1.168 5.153 1.00 0.00 C ATOM 996 CG1 ILE A 60 -4.254 0.175 5.793 1.00 0.00 C ATOM 997 CG2 ILE A 60 -3.697 -1.454 3.995 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.900 0.017 6.475 1.00 0.00 C ATOM 0 H ILE A 60 -5.320 -0.046 2.991 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.523 -2.118 4.561 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.608 -1.959 5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.202 0.953 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.005 0.488 6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.675 -1.495 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.953 -2.409 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.777 -0.661 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.609 0.964 6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.969 -0.750 7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.153 -0.277 5.737 1.00 0.00 H new ATOM 1010 N PHE A 61 -7.298 0.937 5.249 1.00 0.00 N ATOM 1011 CA PHE A 61 -7.963 1.871 6.186 1.00 0.00 C ATOM 1012 C PHE A 61 -8.755 1.153 7.282 1.00 0.00 C ATOM 1013 O PHE A 61 -8.425 1.279 8.468 1.00 0.00 O ATOM 1014 CB PHE A 61 -8.853 2.893 5.455 1.00 0.00 C ATOM 1015 CG PHE A 61 -8.030 4.104 5.049 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -7.353 4.853 6.029 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -7.938 4.480 3.704 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -6.593 5.970 5.659 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -7.177 5.598 3.336 1.00 0.00 C ATOM 1020 CZ PHE A 61 -6.504 6.341 4.312 1.00 0.00 C ATOM 0 H PHE A 61 -7.096 1.337 4.333 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.156 2.416 6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.299 2.434 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.674 3.202 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.419 4.566 7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.455 3.907 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.076 6.545 6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.110 5.886 2.297 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.916 7.201 4.026 1.00 0.00 H new ATOM 1030 N GLN A 62 -9.745 0.359 6.899 1.00 0.00 N ATOM 1031 CA GLN A 62 -10.495 -0.425 7.874 1.00 0.00 C ATOM 1032 C GLN A 62 -10.897 -1.792 7.349 1.00 0.00 C ATOM 1033 O GLN A 62 -10.170 -2.770 7.520 1.00 0.00 O ATOM 1034 CB GLN A 62 -11.724 0.335 8.414 1.00 0.00 C ATOM 1035 CG GLN A 62 -11.290 1.318 9.504 1.00 0.00 C ATOM 1036 CD GLN A 62 -12.513 1.846 10.238 1.00 0.00 C ATOM 1037 OE1 GLN A 62 -12.942 1.243 11.226 1.00 0.00 O ATOM 1038 NE2 GLN A 62 -13.112 2.915 9.820 1.00 0.00 N ATOM 0 H GLN A 62 -10.046 0.240 5.932 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.810 -0.588 8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.216 0.872 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.451 -0.370 8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.618 0.824 10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.735 2.145 9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.757 3.413 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.939 3.260 10.307 1.00 0.00 H new ATOM 1047 N TRP A 63 -12.097 -1.871 6.803 1.00 0.00 N ATOM 1048 CA TRP A 63 -12.673 -3.144 6.398 1.00 0.00 C ATOM 1049 C TRP A 63 -11.852 -3.802 5.325 1.00 0.00 C ATOM 1050 O TRP A 63 -11.251 -3.127 4.492 1.00 0.00 O ATOM 1051 CB TRP A 63 -14.107 -2.950 5.906 1.00 0.00 C ATOM 1052 CG TRP A 63 -14.857 -2.125 6.892 1.00 0.00 C ATOM 1053 CD1 TRP A 63 -15.337 -2.574 8.073 1.00 0.00 C ATOM 1054 CD2 TRP A 63 -15.201 -0.718 6.822 1.00 0.00 C ATOM 1055 NE1 TRP A 63 -15.968 -1.534 8.720 1.00 0.00 N ATOM 1056 CE2 TRP A 63 -15.909 -0.369 7.990 1.00 0.00 C ATOM 1057 CE3 TRP A 63 -14.980 0.278 5.854 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 -16.381 0.923 8.199 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 -15.446 1.584 6.065 1.00 0.00 C ATOM 1060 CH2 TRP A 63 -16.146 1.904 7.236 1.00 0.00 C ATOM 0 H TRP A 63 -12.696 -1.064 6.628 1.00 0.00 H new ATOM 0 HA TRP A 63 -12.678 -3.795 7.272 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -14.107 -2.462 4.931 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -14.594 -3.917 5.778 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -15.242 -3.582 8.448 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -16.423 -1.617 9.629 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -14.450 0.036 4.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -16.925 1.164 9.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -15.265 2.346 5.322 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -16.504 2.911 7.393 1.00 0.00 H new ATOM 1071 N GLN A 64 -11.819 -5.119 5.362 1.00 0.00 N ATOM 1072 CA GLN A 64 -11.081 -5.912 4.399 1.00 0.00 C ATOM 1073 C GLN A 64 -12.056 -6.692 3.527 1.00 0.00 C ATOM 1074 O GLN A 64 -12.142 -7.926 3.617 1.00 0.00 O ATOM 1075 CB GLN A 64 -10.134 -6.875 5.129 1.00 0.00 C ATOM 1076 CG GLN A 64 -9.388 -6.129 6.250 1.00 0.00 C ATOM 1077 CD GLN A 64 -7.894 -6.053 5.956 1.00 0.00 C ATOM 1078 OE1 GLN A 64 -7.424 -6.570 4.935 1.00 0.00 O ATOM 1079 NE2 GLN A 64 -7.116 -5.444 6.789 1.00 0.00 N ATOM 0 H GLN A 64 -12.307 -5.673 6.066 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.487 -5.252 3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.700 -7.707 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.419 -7.299 4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.793 -5.123 6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.550 -6.638 7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.504 -5.018 7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.114 -5.389 6.605 1.00 0.00 H new ATOM 1088 N PRO A 65 -12.835 -6.003 2.739 1.00 0.00 N ATOM 1089 CA PRO A 65 -13.876 -6.648 1.893 1.00 0.00 C ATOM 1090 C PRO A 65 -13.264 -7.601 0.876 1.00 0.00 C ATOM 1091 O PRO A 65 -12.168 -7.347 0.354 1.00 0.00 O ATOM 1092 CB PRO A 65 -14.543 -5.467 1.193 1.00 0.00 C ATOM 1093 CG PRO A 65 -13.467 -4.435 1.095 1.00 0.00 C ATOM 1094 CD PRO A 65 -12.627 -4.588 2.356 1.00 0.00 C ATOM 0 HA PRO A 65 -14.569 -7.254 2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.915 -5.748 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.396 -5.098 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.861 -4.586 0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.891 -3.433 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.575 -4.374 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.954 -3.907 3.142 1.00 0.00 H new ATOM 1102 N GLU A 66 -13.971 -8.684 0.591 1.00 0.00 N ATOM 1103 CA GLU A 66 -13.504 -9.691 -0.353 1.00 0.00 C ATOM 1104 C GLU A 66 -13.970 -9.360 -1.766 1.00 0.00 C ATOM 1105 O GLU A 66 -13.293 -9.721 -2.690 1.00 0.00 O ATOM 1106 CB GLU A 66 -14.040 -11.065 0.049 1.00 0.00 C ATOM 1107 CG GLU A 66 -13.419 -11.491 1.390 1.00 0.00 C ATOM 1108 CD GLU A 66 -14.020 -12.800 1.875 1.00 0.00 C ATOM 1109 OE1 GLU A 66 -14.718 -13.442 1.114 1.00 0.00 O ATOM 1110 OE2 GLU A 66 -13.769 -13.151 3.001 1.00 0.00 O ATOM 1111 OXT GLU A 66 -14.999 -8.744 -1.899 1.00 0.00 O ATOM 0 H GLU A 66 -14.880 -8.890 1.005 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.414 -9.701 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.126 -11.032 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.803 -11.798 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.340 -11.601 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.584 -10.713 2.135 1.00 0.00 H new TER 1118 GLU A 66