USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 488 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 -122:sc= 0.583! USER MOD Set 1.2: A 18 SER OG : rot -129:sc= 1.11 USER MOD Single : A 5 ASN : amide:sc= -5.67! C(o=-5.7!,f=-19!) USER MOD Single : A 7 LYS NZ :NH3+ -117:sc= 0.727 (180deg=-4.04!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 132:sc= -0.31 (180deg=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ -131:sc= 0.312 (180deg=-2.73!) USER MOD Single : A 17 GLN : amide:sc= -2.63! C(o=-2.6!,f=-17!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 29 GLN :FLIP amide:sc= -3.44 F(o=-4.6!,f=-3.4) USER MOD Single : A 30 THR OG1 : rot 36:sc= 0.132! USER MOD Single : A 32 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.3!) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.22 (180deg=-0.955) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0634 (180deg=-0.546) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.2) USER MOD Single : A 42 SER OG : rot 100:sc= 1.13 USER MOD Single : A 44 GLN : amide:sc= 0.936 K(o=0.94,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= -0.825 (180deg=-0.893) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -16:sc= 0.842 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 5.102 6.232 -2.880 1.00 0.00 N ATOM 71 CA ASN A 5 4.204 5.828 -1.795 1.00 0.00 C ATOM 72 C ASN A 5 3.795 4.364 -1.936 1.00 0.00 C ATOM 73 O ASN A 5 3.937 3.763 -3.002 1.00 0.00 O ATOM 74 CB ASN A 5 2.967 6.749 -1.677 1.00 0.00 C ATOM 75 CG ASN A 5 1.706 6.035 -2.150 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.045 5.356 -1.365 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.342 6.127 -3.385 1.00 0.00 N ATOM 0 HA ASN A 5 4.763 5.936 -0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.843 7.066 -0.642 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.123 7.650 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.508 5.637 -3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.889 6.689 -4.037 1.00 0.00 H new ATOM 84 N LEU A 6 3.326 3.798 -0.844 1.00 0.00 N ATOM 85 CA LEU A 6 2.960 2.387 -0.774 1.00 0.00 C ATOM 86 C LEU A 6 1.831 2.054 -1.755 1.00 0.00 C ATOM 87 O LEU A 6 1.820 0.986 -2.372 1.00 0.00 O ATOM 88 CB LEU A 6 2.544 2.041 0.676 1.00 0.00 C ATOM 89 CG LEU A 6 2.274 0.531 0.851 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.876 0.170 0.343 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.326 -0.294 0.107 1.00 0.00 C ATOM 0 H LEU A 6 3.184 4.303 0.031 1.00 0.00 H new ATOM 0 HA LEU A 6 3.823 1.785 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.331 2.351 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.649 2.603 0.941 1.00 0.00 H new ATOM 0 HG LEU A 6 2.332 0.299 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.705 -0.898 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.129 0.729 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.797 0.422 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.119 -1.355 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.295 -0.051 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.315 -0.064 0.503 1.00 0.00 H new ATOM 103 N LYS A 7 0.867 2.946 -1.865 1.00 0.00 N ATOM 104 CA LYS A 7 -0.310 2.707 -2.696 1.00 0.00 C ATOM 105 C LYS A 7 0.041 2.372 -4.146 1.00 0.00 C ATOM 106 O LYS A 7 -0.614 1.532 -4.756 1.00 0.00 O ATOM 107 CB LYS A 7 -1.316 3.872 -2.558 1.00 0.00 C ATOM 108 CG LYS A 7 -1.677 4.521 -3.902 1.00 0.00 C ATOM 109 CD LYS A 7 -2.704 5.643 -3.645 1.00 0.00 C ATOM 110 CE LYS A 7 -2.054 6.760 -2.792 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.039 7.825 -2.473 1.00 0.00 N ATOM 0 H LYS A 7 0.870 3.848 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.804 1.810 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.226 3.504 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.896 4.630 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.784 4.927 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.091 3.777 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.054 6.053 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.576 5.240 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.660 6.335 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.210 7.190 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.732 8.722 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.971 7.561 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.105 7.939 -1.441 1.00 0.00 H new ATOM 125 N LEU A 8 1.085 2.984 -4.673 1.00 0.00 N ATOM 126 CA LEU A 8 1.542 2.668 -6.034 1.00 0.00 C ATOM 127 C LEU A 8 2.052 1.225 -6.141 1.00 0.00 C ATOM 128 O LEU A 8 1.989 0.612 -7.203 1.00 0.00 O ATOM 129 CB LEU A 8 2.620 3.648 -6.513 1.00 0.00 C ATOM 130 CG LEU A 8 2.018 5.052 -6.686 1.00 0.00 C ATOM 131 CD1 LEU A 8 3.118 6.031 -7.096 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.930 5.030 -7.767 1.00 0.00 C ATOM 0 H LEU A 8 1.635 3.697 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 8 0.674 2.772 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.438 3.681 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.040 3.305 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 8 1.576 5.367 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.692 7.027 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.887 6.058 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.561 5.707 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.510 6.029 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.364 4.708 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.141 4.337 -7.475 1.00 0.00 H new ATOM 144 N ILE A 9 2.704 0.760 -5.092 1.00 0.00 N ATOM 145 CA ILE A 9 3.360 -0.551 -5.102 1.00 0.00 C ATOM 146 C ILE A 9 2.352 -1.700 -5.260 1.00 0.00 C ATOM 147 O ILE A 9 2.626 -2.693 -5.937 1.00 0.00 O ATOM 148 CB ILE A 9 4.199 -0.742 -3.824 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.187 0.425 -3.673 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.989 -2.055 -3.909 1.00 0.00 C ATOM 151 CD1 ILE A 9 6.118 0.482 -4.888 1.00 0.00 C ATOM 0 H ILE A 9 2.798 1.268 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 9 4.020 -0.578 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 9 3.529 -0.773 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.642 1.364 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.772 0.302 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.580 -2.183 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.296 -2.890 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.653 -2.025 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.815 1.312 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.675 -0.452 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.527 0.627 -5.793 1.00 0.00 H new ATOM 163 N ARG A 10 1.242 -1.607 -4.552 1.00 0.00 N ATOM 164 CA ARG A 10 0.266 -2.709 -4.500 1.00 0.00 C ATOM 165 C ARG A 10 -0.109 -3.117 -5.912 1.00 0.00 C ATOM 166 O ARG A 10 -0.301 -4.299 -6.213 1.00 0.00 O ATOM 167 CB ARG A 10 -1.039 -2.225 -3.880 1.00 0.00 C ATOM 168 CG ARG A 10 -0.830 -1.221 -2.753 1.00 0.00 C ATOM 169 CD ARG A 10 -2.138 -0.459 -2.637 1.00 0.00 C ATOM 170 NE ARG A 10 -2.385 0.219 -3.921 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.403 -0.103 -4.730 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.156 -1.130 -4.453 1.00 0.00 N ATOM 173 NH2 ARG A 10 -3.594 0.566 -5.836 1.00 0.00 N ATOM 0 H ARG A 10 0.983 -0.788 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 10 0.716 -3.522 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.655 -1.769 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.592 -3.082 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.586 -1.726 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.003 -0.548 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.956 -1.140 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.085 0.268 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.753 0.967 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.970 -1.689 -3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.931 -1.375 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.968 1.333 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.369 0.321 -6.453 1.00 0.00 H new ATOM 187 N GLU A 11 -0.333 -2.114 -6.733 1.00 0.00 N ATOM 188 CA GLU A 11 -0.815 -2.321 -8.081 1.00 0.00 C ATOM 189 C GLU A 11 0.223 -3.078 -8.859 1.00 0.00 C ATOM 190 O GLU A 11 -0.093 -3.959 -9.665 1.00 0.00 O ATOM 191 CB GLU A 11 -1.100 -0.965 -8.761 1.00 0.00 C ATOM 192 CG GLU A 11 -1.182 0.149 -7.696 1.00 0.00 C ATOM 193 CD GLU A 11 -2.049 1.307 -8.154 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.452 1.321 -9.297 1.00 0.00 O ATOM 195 OE2 GLU A 11 -2.314 2.172 -7.335 1.00 0.00 O ATOM 0 H GLU A 11 -0.187 -1.135 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.743 -2.893 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.313 -0.736 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.035 -1.017 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.585 -0.262 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.179 0.513 -7.473 1.00 0.00 H new ATOM 202 N LYS A 12 1.465 -2.752 -8.596 1.00 0.00 N ATOM 203 CA LYS A 12 2.565 -3.397 -9.255 1.00 0.00 C ATOM 204 C LYS A 12 2.561 -4.866 -8.895 1.00 0.00 C ATOM 205 O LYS A 12 2.623 -5.729 -9.772 1.00 0.00 O ATOM 206 CB LYS A 12 3.860 -2.747 -8.806 1.00 0.00 C ATOM 207 CG LYS A 12 3.831 -1.307 -9.295 1.00 0.00 C ATOM 208 CD LYS A 12 5.105 -0.594 -8.900 1.00 0.00 C ATOM 209 CE LYS A 12 4.995 0.845 -9.369 1.00 0.00 C ATOM 210 NZ LYS A 12 6.259 1.564 -9.071 1.00 0.00 N ATOM 0 H LYS A 12 1.737 -2.036 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 12 2.473 -3.295 -10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.953 -2.783 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.719 -3.276 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.715 -1.286 -10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.970 -0.789 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.246 -0.634 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.970 -1.078 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.792 0.875 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.159 1.337 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.182 2.550 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.435 1.547 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.047 1.099 -9.565 1.00 0.00 H new ATOM 224 N LYS A 13 2.310 -5.147 -7.616 1.00 0.00 N ATOM 225 CA LYS A 13 2.154 -6.520 -7.160 1.00 0.00 C ATOM 226 C LYS A 13 0.734 -7.022 -7.335 1.00 0.00 C ATOM 227 O LYS A 13 0.391 -8.094 -6.841 1.00 0.00 O ATOM 228 CB LYS A 13 2.687 -6.741 -5.732 1.00 0.00 C ATOM 229 CG LYS A 13 3.008 -8.234 -5.579 1.00 0.00 C ATOM 230 CD LYS A 13 3.790 -8.523 -4.294 1.00 0.00 C ATOM 231 CE LYS A 13 4.251 -9.978 -4.346 1.00 0.00 C ATOM 232 NZ LYS A 13 5.166 -10.156 -5.507 1.00 0.00 N ATOM 0 H LYS A 13 2.212 -4.443 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 13 2.783 -7.130 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.579 -6.139 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.946 -6.432 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.080 -8.806 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.587 -8.571 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.646 -7.854 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.163 -8.352 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.761 -10.244 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.392 -10.642 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.019 -10.666 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.683 -10.702 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.436 -9.224 -5.882 1.00 0.00 H new ATOM 246 N LYS A 14 -0.057 -6.263 -8.095 1.00 0.00 N ATOM 247 CA LYS A 14 -1.439 -6.609 -8.451 1.00 0.00 C ATOM 248 C LYS A 14 -2.316 -6.923 -7.241 1.00 0.00 C ATOM 249 O LYS A 14 -3.160 -7.833 -7.283 1.00 0.00 O ATOM 250 CB LYS A 14 -1.489 -7.737 -9.510 1.00 0.00 C ATOM 251 CG LYS A 14 -1.202 -9.110 -8.876 1.00 0.00 C ATOM 252 CD LYS A 14 -0.005 -9.767 -9.569 1.00 0.00 C ATOM 253 CE LYS A 14 0.503 -10.927 -8.709 1.00 0.00 C ATOM 254 NZ LYS A 14 0.890 -10.418 -7.363 1.00 0.00 N ATOM 0 H LYS A 14 0.248 -5.373 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.868 -5.713 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.470 -7.751 -9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.759 -7.536 -10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.997 -8.993 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.080 -9.751 -8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.295 -10.130 -10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.789 -9.036 -9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.271 -11.688 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.358 -11.402 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.835 -10.774 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.904 -9.378 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.201 -10.746 -6.656 1.00 0.00 H new ATOM 268 N ILE A 15 -2.186 -6.124 -6.199 1.00 0.00 N ATOM 269 CA ILE A 15 -3.023 -6.290 -5.023 1.00 0.00 C ATOM 270 C ILE A 15 -3.839 -5.020 -4.722 1.00 0.00 C ATOM 271 O ILE A 15 -3.312 -3.902 -4.724 1.00 0.00 O ATOM 272 CB ILE A 15 -2.181 -6.787 -3.836 1.00 0.00 C ATOM 273 CG1 ILE A 15 -0.943 -5.909 -3.658 1.00 0.00 C ATOM 274 CG2 ILE A 15 -1.720 -8.222 -4.120 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.161 -6.387 -2.437 1.00 0.00 C ATOM 0 H ILE A 15 -1.514 -5.358 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.767 -7.062 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.787 -6.746 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.316 -5.958 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.236 -4.867 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.122 -8.584 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.591 -8.865 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.120 -8.238 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.724 -5.764 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.791 -6.315 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.143 -7.423 -2.583 1.00 0.00 H new ATOM 287 N SER A 16 -5.152 -5.197 -4.648 1.00 0.00 N ATOM 288 CA SER A 16 -6.104 -4.093 -4.571 1.00 0.00 C ATOM 289 C SER A 16 -6.106 -3.401 -3.215 1.00 0.00 C ATOM 290 O SER A 16 -5.907 -4.032 -2.170 1.00 0.00 O ATOM 291 CB SER A 16 -7.511 -4.603 -4.899 1.00 0.00 C ATOM 292 OG SER A 16 -8.432 -3.514 -4.932 1.00 0.00 O ATOM 0 H SER A 16 -5.591 -6.118 -4.640 1.00 0.00 H new ATOM 0 HA SER A 16 -5.790 -3.349 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.506 -5.114 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.825 -5.332 -4.152 1.00 0.00 H new ATOM 0 HG SER A 16 -9.145 -3.669 -4.278 1.00 0.00 H new ATOM 298 N GLN A 17 -6.487 -2.125 -3.229 1.00 0.00 N ATOM 299 CA GLN A 17 -6.689 -1.365 -2.006 1.00 0.00 C ATOM 300 C GLN A 17 -7.761 -2.060 -1.189 1.00 0.00 C ATOM 301 O GLN A 17 -7.601 -2.291 0.019 1.00 0.00 O ATOM 302 CB GLN A 17 -7.173 0.056 -2.348 1.00 0.00 C ATOM 303 CG GLN A 17 -6.202 0.738 -3.320 1.00 0.00 C ATOM 304 CD GLN A 17 -6.587 0.416 -4.762 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.338 -0.701 -5.237 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.170 1.313 -5.486 1.00 0.00 N ATOM 0 H GLN A 17 -6.662 -1.596 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.754 -1.303 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.168 0.010 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.258 0.647 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.217 1.817 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.184 0.402 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.374 2.232 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.426 1.102 -6.451 1.00 0.00 H new ATOM 315 N SER A 18 -8.814 -2.459 -1.882 1.00 0.00 N ATOM 316 CA SER A 18 -9.913 -3.179 -1.280 1.00 0.00 C ATOM 317 C SER A 18 -9.434 -4.494 -0.691 1.00 0.00 C ATOM 318 O SER A 18 -9.758 -4.824 0.451 1.00 0.00 O ATOM 319 CB SER A 18 -10.973 -3.442 -2.342 1.00 0.00 C ATOM 320 OG SER A 18 -10.324 -3.732 -3.587 1.00 0.00 O ATOM 0 H SER A 18 -8.927 -2.290 -2.882 1.00 0.00 H new ATOM 0 HA SER A 18 -10.335 -2.579 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.606 -4.278 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.622 -2.573 -2.449 1.00 0.00 H new ATOM 0 HG SER A 18 -10.702 -3.166 -4.292 1.00 0.00 H new ATOM 326 N GLU A 19 -8.586 -5.196 -1.436 1.00 0.00 N ATOM 327 CA GLU A 19 -8.027 -6.454 -0.963 1.00 0.00 C ATOM 328 C GLU A 19 -7.183 -6.210 0.264 1.00 0.00 C ATOM 329 O GLU A 19 -7.328 -6.893 1.274 1.00 0.00 O ATOM 330 CB GLU A 19 -7.169 -7.102 -2.055 1.00 0.00 C ATOM 331 CG GLU A 19 -8.061 -7.601 -3.199 1.00 0.00 C ATOM 332 CD GLU A 19 -7.208 -8.135 -4.332 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.212 -7.519 -4.655 1.00 0.00 O ATOM 334 OE2 GLU A 19 -7.559 -9.155 -4.864 1.00 0.00 O ATOM 0 H GLU A 19 -8.273 -4.915 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.847 -7.127 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.445 -6.381 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.601 -7.933 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.727 -8.383 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.691 -6.788 -3.560 1.00 0.00 H new ATOM 341 N LEU A 20 -6.381 -5.162 0.221 1.00 0.00 N ATOM 342 CA LEU A 20 -5.574 -4.814 1.372 1.00 0.00 C ATOM 343 C LEU A 20 -6.476 -4.486 2.542 1.00 0.00 C ATOM 344 O LEU A 20 -6.187 -4.851 3.685 1.00 0.00 O ATOM 345 CB LEU A 20 -4.639 -3.638 1.063 1.00 0.00 C ATOM 346 CG LEU A 20 -3.572 -4.083 0.050 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.728 -2.881 -0.372 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.659 -5.143 0.682 1.00 0.00 C ATOM 0 H LEU A 20 -6.273 -4.547 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.948 -5.669 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.210 -2.801 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.163 -3.288 1.979 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.069 -4.506 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.973 -3.201 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.370 -2.129 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.238 -2.455 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.906 -5.453 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.167 -4.723 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.255 -6.006 0.978 1.00 0.00 H new ATOM 360 N ALA A 21 -7.561 -3.783 2.277 1.00 0.00 N ATOM 361 CA ALA A 21 -8.530 -3.504 3.324 1.00 0.00 C ATOM 362 C ALA A 21 -9.225 -4.796 3.726 1.00 0.00 C ATOM 363 O ALA A 21 -9.422 -5.069 4.912 1.00 0.00 O ATOM 364 CB ALA A 21 -9.556 -2.474 2.859 1.00 0.00 C ATOM 0 H ALA A 21 -7.793 -3.399 1.361 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.006 -3.089 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.269 -2.283 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.047 -1.546 2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.085 -2.856 1.986 1.00 0.00 H new ATOM 370 N ALA A 22 -9.540 -5.612 2.722 1.00 0.00 N ATOM 371 CA ALA A 22 -10.187 -6.903 2.932 1.00 0.00 C ATOM 372 C ALA A 22 -9.316 -7.809 3.769 1.00 0.00 C ATOM 373 O ALA A 22 -9.813 -8.673 4.478 1.00 0.00 O ATOM 374 CB ALA A 22 -10.504 -7.582 1.593 1.00 0.00 C ATOM 0 H ALA A 22 -9.354 -5.396 1.743 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.122 -6.722 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.986 -8.542 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.172 -6.946 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.580 -7.740 1.038 1.00 0.00 H new ATOM 380 N LEU A 23 -8.013 -7.613 3.687 1.00 0.00 N ATOM 381 CA LEU A 23 -7.088 -8.427 4.455 1.00 0.00 C ATOM 382 C LEU A 23 -7.341 -8.245 5.943 1.00 0.00 C ATOM 383 O LEU A 23 -7.334 -9.218 6.701 1.00 0.00 O ATOM 384 CB LEU A 23 -5.629 -8.070 4.127 1.00 0.00 C ATOM 385 CG LEU A 23 -5.215 -8.690 2.780 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.837 -8.165 2.362 1.00 0.00 C ATOM 387 CD2 LEU A 23 -5.154 -10.216 2.911 1.00 0.00 C ATOM 0 H LEU A 23 -7.573 -6.903 3.101 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.254 -9.470 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.513 -6.987 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.973 -8.432 4.918 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.951 -8.415 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.552 -8.609 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.876 -7.080 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.101 -8.432 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.861 -10.652 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.423 -10.487 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.135 -10.596 3.197 1.00 0.00 H new ATOM 399 N LEU A 24 -7.596 -7.005 6.355 1.00 0.00 N ATOM 400 CA LEU A 24 -7.870 -6.724 7.765 1.00 0.00 C ATOM 401 C LEU A 24 -9.260 -7.216 8.127 1.00 0.00 C ATOM 402 O LEU A 24 -9.544 -7.504 9.290 1.00 0.00 O ATOM 403 CB LEU A 24 -7.803 -5.215 8.076 1.00 0.00 C ATOM 404 CG LEU A 24 -6.481 -4.589 7.603 1.00 0.00 C ATOM 405 CD1 LEU A 24 -6.382 -3.159 8.141 1.00 0.00 C ATOM 406 CD2 LEU A 24 -5.284 -5.409 8.094 1.00 0.00 C ATOM 0 H LEU A 24 -7.619 -6.189 5.744 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.107 -7.239 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.638 -4.708 7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.914 -5.060 9.149 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.466 -4.579 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.446 -2.709 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.220 -2.571 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.409 -3.177 9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.360 -4.947 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.287 -5.441 9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.352 -6.423 7.701 1.00 0.00 H new ATOM 418 N GLU A 25 -10.149 -7.204 7.144 1.00 0.00 N ATOM 419 CA GLU A 25 -11.547 -7.549 7.360 1.00 0.00 C ATOM 420 C GLU A 25 -12.155 -6.624 8.408 1.00 0.00 C ATOM 421 O GLU A 25 -12.909 -7.063 9.292 1.00 0.00 O ATOM 422 CB GLU A 25 -11.683 -9.010 7.796 1.00 0.00 C ATOM 423 CG GLU A 25 -11.168 -9.923 6.676 1.00 0.00 C ATOM 424 CD GLU A 25 -11.329 -11.383 7.041 1.00 0.00 C ATOM 425 OE1 GLU A 25 -12.058 -11.679 7.961 1.00 0.00 O ATOM 426 OE2 GLU A 25 -10.715 -12.193 6.389 1.00 0.00 O ATOM 0 H GLU A 25 -9.924 -6.957 6.180 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.086 -7.423 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.117 -9.183 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.725 -9.240 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.711 -9.714 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.117 -9.708 6.482 1.00 0.00 H new ATOM 433 N VAL A 26 -11.796 -5.352 8.323 1.00 0.00 N ATOM 434 CA VAL A 26 -12.275 -4.342 9.255 1.00 0.00 C ATOM 435 C VAL A 26 -12.916 -3.182 8.500 1.00 0.00 C ATOM 436 O VAL A 26 -13.043 -3.220 7.266 1.00 0.00 O ATOM 437 CB VAL A 26 -11.125 -3.833 10.150 1.00 0.00 C ATOM 438 CG1 VAL A 26 -10.490 -5.004 10.913 1.00 0.00 C ATOM 439 CG2 VAL A 26 -10.057 -3.123 9.302 1.00 0.00 C ATOM 0 H VAL A 26 -11.165 -4.991 7.607 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.029 -4.799 9.896 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.535 -3.121 10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.680 -4.633 11.541 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.244 -5.482 11.538 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.095 -5.730 10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.254 -2.771 9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.652 -3.820 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.507 -2.274 8.787 1.00 0.00 H new ATOM 449 N SER A 27 -13.296 -2.158 9.231 1.00 0.00 N ATOM 450 CA SER A 27 -13.935 -0.989 8.656 1.00 0.00 C ATOM 451 C SER A 27 -12.992 -0.263 7.695 1.00 0.00 C ATOM 452 O SER A 27 -13.416 0.617 6.947 1.00 0.00 O ATOM 453 CB SER A 27 -14.384 -0.043 9.769 1.00 0.00 C ATOM 454 OG SER A 27 -14.723 -0.813 10.930 1.00 0.00 O ATOM 0 H SER A 27 -13.172 -2.109 10.242 1.00 0.00 H new ATOM 0 HA SER A 27 -14.806 -1.318 8.089 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.589 0.664 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.243 0.542 9.442 1.00 0.00 H new ATOM 0 HG SER A 27 -15.010 -0.212 11.649 1.00 0.00 H new ATOM 460 N ARG A 28 -11.697 -0.589 7.760 1.00 0.00 N ATOM 461 CA ARG A 28 -10.696 0.098 6.938 1.00 0.00 C ATOM 462 C ARG A 28 -11.172 0.233 5.488 1.00 0.00 C ATOM 463 O ARG A 28 -10.721 1.111 4.755 1.00 0.00 O ATOM 464 CB ARG A 28 -9.310 -0.590 7.003 1.00 0.00 C ATOM 465 CG ARG A 28 -8.252 0.375 6.431 1.00 0.00 C ATOM 466 CD ARG A 28 -6.839 -0.186 6.634 1.00 0.00 C ATOM 467 NE ARG A 28 -6.601 -1.386 5.831 1.00 0.00 N ATOM 468 CZ ARG A 28 -6.046 -1.320 4.618 1.00 0.00 C ATOM 469 NH1 ARG A 28 -5.841 -0.160 4.053 1.00 0.00 N ATOM 470 NH2 ARG A 28 -5.734 -2.414 3.985 1.00 0.00 N ATOM 0 H ARG A 28 -11.320 -1.317 8.367 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.577 1.098 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.066 -0.851 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.322 -1.519 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.436 0.535 5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.337 1.346 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.106 0.577 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.691 -0.421 7.688 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.866 -2.296 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.105 0.697 4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.417 -0.112 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.913 -3.321 4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.310 -2.364 3.059 1.00 0.00 H new ATOM 484 N GLN A 29 -12.145 -0.589 5.110 1.00 0.00 N ATOM 485 CA GLN A 29 -12.732 -0.518 3.780 1.00 0.00 C ATOM 486 C GLN A 29 -13.227 0.903 3.492 1.00 0.00 C ATOM 487 O GLN A 29 -13.077 1.402 2.376 1.00 0.00 O ATOM 488 CB GLN A 29 -13.930 -1.480 3.685 1.00 0.00 C ATOM 489 CG GLN A 29 -13.479 -2.948 3.809 1.00 0.00 C ATOM 490 CD GLN A 29 -12.659 -3.370 2.591 1.00 0.00 C ATOM 491 OE1 GLN A 29 -11.943 -4.442 2.645 1.00 0.00 O flip ATOM 492 NE2 GLN A 29 -12.697 -2.711 1.552 1.00 0.00 N flip ATOM 0 H GLN A 29 -12.543 -1.313 5.708 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.968 -0.796 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.648 -1.250 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.442 -1.334 2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.885 -3.075 4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.352 -3.594 3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.262 -1.863 1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.163 -3.013 0.737 1.00 0.00 H new ATOM 501 N THR A 30 -13.846 1.537 4.483 1.00 0.00 N ATOM 502 CA THR A 30 -14.383 2.881 4.290 1.00 0.00 C ATOM 503 C THR A 30 -13.284 3.938 4.155 1.00 0.00 C ATOM 504 O THR A 30 -13.356 4.797 3.276 1.00 0.00 O ATOM 505 CB THR A 30 -15.378 3.240 5.401 1.00 0.00 C ATOM 506 OG1 THR A 30 -15.225 2.332 6.485 1.00 0.00 O ATOM 507 CG2 THR A 30 -16.811 3.148 4.863 1.00 0.00 C ATOM 0 H THR A 30 -13.987 1.149 5.416 1.00 0.00 H new ATOM 0 HA THR A 30 -14.922 2.876 3.343 1.00 0.00 H new ATOM 0 HB THR A 30 -15.184 4.257 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.278 2.102 6.587 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.514 3.404 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.933 3.842 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.006 2.132 4.519 1.00 0.00 H new ATOM 515 N ILE A 31 -12.245 3.849 4.981 1.00 0.00 N ATOM 516 CA ILE A 31 -11.135 4.802 4.887 1.00 0.00 C ATOM 517 C ILE A 31 -10.203 4.427 3.749 1.00 0.00 C ATOM 518 O ILE A 31 -9.419 5.252 3.266 1.00 0.00 O ATOM 519 CB ILE A 31 -10.360 4.913 6.208 1.00 0.00 C ATOM 520 CG1 ILE A 31 -9.795 3.550 6.603 1.00 0.00 C ATOM 521 CG2 ILE A 31 -11.280 5.426 7.321 1.00 0.00 C ATOM 522 CD1 ILE A 31 -8.864 3.712 7.809 1.00 0.00 C ATOM 0 H ILE A 31 -12.145 3.143 5.710 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.565 5.782 4.679 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.539 5.616 6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.607 2.865 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.250 3.114 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -10.718 5.500 8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -11.665 6.409 7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.112 4.734 7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.461 2.739 8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.045 4.383 7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.423 4.130 8.647 1.00 0.00 H new ATOM 534 N ASN A 32 -10.301 3.180 3.320 1.00 0.00 N ATOM 535 CA ASN A 32 -9.464 2.674 2.250 1.00 0.00 C ATOM 536 C ASN A 32 -9.513 3.619 1.063 1.00 0.00 C ATOM 537 O ASN A 32 -8.497 3.855 0.400 1.00 0.00 O ATOM 538 CB ASN A 32 -9.930 1.282 1.819 1.00 0.00 C ATOM 539 CG ASN A 32 -9.014 0.745 0.736 1.00 0.00 C ATOM 540 OD1 ASN A 32 -9.435 0.565 -0.407 1.00 0.00 O ATOM 541 ND2 ASN A 32 -7.777 0.483 1.024 1.00 0.00 N ATOM 0 H ASN A 32 -10.957 2.497 3.700 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.439 2.605 2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.930 0.607 2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.955 1.330 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.150 0.127 0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.431 0.633 1.972 1.00 0.00 H new ATOM 548 N GLY A 33 -10.688 4.191 0.825 1.00 0.00 N ATOM 549 CA GLY A 33 -10.862 5.155 -0.248 1.00 0.00 C ATOM 550 C GLY A 33 -9.968 6.363 -0.023 1.00 0.00 C ATOM 551 O GLY A 33 -9.171 6.727 -0.890 1.00 0.00 O ATOM 0 H GLY A 33 -11.534 4.002 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.623 4.691 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.904 5.470 -0.297 1.00 0.00 H new ATOM 555 N ILE A 34 -9.996 6.895 1.186 1.00 0.00 N ATOM 556 CA ILE A 34 -9.077 7.950 1.555 1.00 0.00 C ATOM 557 C ILE A 34 -7.637 7.464 1.530 1.00 0.00 C ATOM 558 O ILE A 34 -6.759 8.151 0.982 1.00 0.00 O ATOM 559 CB ILE A 34 -9.470 8.650 2.871 1.00 0.00 C ATOM 560 CG1 ILE A 34 -10.743 9.476 2.626 1.00 0.00 C ATOM 561 CG2 ILE A 34 -8.347 9.557 3.388 1.00 0.00 C ATOM 562 CD1 ILE A 34 -11.107 10.277 3.876 1.00 0.00 C ATOM 0 H ILE A 34 -10.642 6.614 1.923 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.152 8.727 0.794 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.649 7.890 3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.589 10.152 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.567 8.815 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.662 10.033 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.453 8.961 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.127 10.323 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.010 10.857 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.282 9.594 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.289 10.952 4.127 1.00 0.00 H new ATOM 574 N GLU A 35 -7.397 6.260 2.054 1.00 0.00 N ATOM 575 CA GLU A 35 -6.060 5.678 1.999 1.00 0.00 C ATOM 576 C GLU A 35 -5.525 5.646 0.573 1.00 0.00 C ATOM 577 O GLU A 35 -4.320 5.486 0.365 1.00 0.00 O ATOM 578 CB GLU A 35 -5.978 4.280 2.631 1.00 0.00 C ATOM 579 CG GLU A 35 -5.954 4.377 4.167 1.00 0.00 C ATOM 580 CD GLU A 35 -5.782 2.990 4.771 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.521 2.103 4.397 1.00 0.00 O ATOM 582 OE2 GLU A 35 -4.899 2.828 5.596 1.00 0.00 O ATOM 0 H GLU A 35 -8.099 5.680 2.513 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.429 6.334 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.831 3.681 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.081 3.769 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.139 5.026 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.879 4.827 4.526 1.00 0.00 H new ATOM 589 N LYS A 36 -6.407 5.792 -0.414 1.00 0.00 N ATOM 590 CA LYS A 36 -5.952 5.893 -1.790 1.00 0.00 C ATOM 591 C LYS A 36 -6.173 7.301 -2.341 1.00 0.00 C ATOM 592 O LYS A 36 -5.297 7.860 -3.004 1.00 0.00 O ATOM 593 CB LYS A 36 -6.594 4.839 -2.713 1.00 0.00 C ATOM 594 CG LYS A 36 -8.114 5.011 -2.749 1.00 0.00 C ATOM 595 CD LYS A 36 -8.722 4.011 -3.736 1.00 0.00 C ATOM 596 CE LYS A 36 -10.247 4.162 -3.752 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.607 5.607 -3.797 1.00 0.00 N ATOM 0 H LYS A 36 -7.418 5.842 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.882 5.687 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.188 4.933 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.344 3.838 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.531 4.855 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.368 6.029 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.320 4.181 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.451 2.994 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.664 3.646 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.678 3.697 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.603 5.708 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.468 6.029 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.001 6.094 -4.488 1.00 0.00 H new ATOM 611 N ASN A 37 -7.370 7.834 -2.139 1.00 0.00 N ATOM 612 CA ASN A 37 -7.725 9.140 -2.696 1.00 0.00 C ATOM 613 C ASN A 37 -6.935 10.287 -2.073 1.00 0.00 C ATOM 614 O ASN A 37 -6.397 11.142 -2.785 1.00 0.00 O ATOM 615 CB ASN A 37 -9.227 9.402 -2.533 1.00 0.00 C ATOM 616 CG ASN A 37 -9.581 10.781 -3.083 1.00 0.00 C ATOM 617 OD1 ASN A 37 -9.039 11.201 -4.113 1.00 0.00 O ATOM 618 ND2 ASN A 37 -10.456 11.512 -2.469 1.00 0.00 N ATOM 0 H ASN A 37 -8.111 7.388 -1.597 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.466 9.104 -3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.797 8.635 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.503 9.340 -1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.698 12.433 -2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.903 11.167 -1.620 1.00 0.00 H new ATOM 625 N LYS A 38 -6.909 10.344 -0.749 1.00 0.00 N ATOM 626 CA LYS A 38 -6.234 11.440 -0.059 1.00 0.00 C ATOM 627 C LYS A 38 -4.858 11.034 0.428 1.00 0.00 C ATOM 628 O LYS A 38 -3.887 11.782 0.297 1.00 0.00 O ATOM 629 CB LYS A 38 -7.075 11.932 1.129 1.00 0.00 C ATOM 630 CG LYS A 38 -8.374 12.585 0.627 1.00 0.00 C ATOM 631 CD LYS A 38 -9.201 13.088 1.820 1.00 0.00 C ATOM 632 CE LYS A 38 -10.504 13.723 1.312 1.00 0.00 C ATOM 633 NZ LYS A 38 -10.188 14.873 0.429 1.00 0.00 N ATOM 0 H LYS A 38 -7.341 9.654 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.117 12.249 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.311 11.096 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.502 12.649 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.140 13.415 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.954 11.865 0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.426 12.261 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.627 13.818 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.092 12.984 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.111 14.055 2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.018 15.496 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.387 15.405 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.937 14.525 -0.518 1.00 0.00 H new ATOM 647 N TYR A 39 -4.797 9.883 1.056 1.00 0.00 N ATOM 648 CA TYR A 39 -3.571 9.404 1.674 1.00 0.00 C ATOM 649 C TYR A 39 -3.069 8.170 0.959 1.00 0.00 C ATOM 650 O TYR A 39 -3.602 7.780 -0.087 1.00 0.00 O ATOM 651 CB TYR A 39 -3.792 9.070 3.168 1.00 0.00 C ATOM 652 CG TYR A 39 -4.620 10.135 3.866 1.00 0.00 C ATOM 653 CD1 TYR A 39 -4.433 11.492 3.574 1.00 0.00 C ATOM 654 CD2 TYR A 39 -5.576 9.754 4.812 1.00 0.00 C ATOM 655 CE1 TYR A 39 -5.203 12.460 4.226 1.00 0.00 C ATOM 656 CE2 TYR A 39 -6.343 10.722 5.462 1.00 0.00 C ATOM 657 CZ TYR A 39 -6.157 12.075 5.169 1.00 0.00 C ATOM 658 OH TYR A 39 -6.912 13.029 5.811 1.00 0.00 O ATOM 0 H TYR A 39 -5.590 9.250 1.156 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.830 10.200 1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.292 8.105 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.827 8.975 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.694 11.791 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.721 8.708 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.059 13.506 4.000 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.081 10.425 6.192 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.529 12.593 6.435 1.00 0.00 H new ATOM 668 N ASN A 40 -2.081 7.537 1.559 1.00 0.00 N ATOM 669 CA ASN A 40 -1.612 6.228 1.130 1.00 0.00 C ATOM 670 C ASN A 40 -2.142 5.218 2.132 1.00 0.00 C ATOM 671 O ASN A 40 -2.512 5.602 3.241 1.00 0.00 O ATOM 672 CB ASN A 40 -0.075 6.174 1.116 1.00 0.00 C ATOM 673 CG ASN A 40 0.492 6.464 2.505 1.00 0.00 C ATOM 674 OD1 ASN A 40 0.921 7.584 2.773 1.00 0.00 O ATOM 675 ND2 ASN A 40 0.510 5.536 3.413 1.00 0.00 N ATOM 0 H ASN A 40 -1.577 7.915 2.361 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.962 6.015 0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.256 5.191 0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.312 6.900 0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.879 5.739 4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.155 4.604 3.197 1.00 0.00 H new ATOM 682 N PRO A 41 -2.131 3.948 1.825 1.00 0.00 N ATOM 683 CA PRO A 41 -2.559 2.944 2.840 1.00 0.00 C ATOM 684 C PRO A 41 -1.684 3.080 4.063 1.00 0.00 C ATOM 685 O PRO A 41 -0.482 3.330 3.940 1.00 0.00 O ATOM 686 CB PRO A 41 -2.334 1.603 2.143 1.00 0.00 C ATOM 687 CG PRO A 41 -2.468 1.915 0.690 1.00 0.00 C ATOM 688 CD PRO A 41 -1.916 3.330 0.507 1.00 0.00 C ATOM 0 HA PRO A 41 -3.590 3.060 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.350 1.195 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.068 0.862 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.912 1.199 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.510 1.859 0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.861 3.318 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.442 3.869 -0.281 1.00 0.00 H new ATOM 696 N SER A 42 -2.288 3.029 5.227 1.00 0.00 N ATOM 697 CA SER A 42 -1.547 3.282 6.439 1.00 0.00 C ATOM 698 C SER A 42 -0.522 2.185 6.688 1.00 0.00 C ATOM 699 O SER A 42 -0.850 0.990 6.669 1.00 0.00 O ATOM 700 CB SER A 42 -2.515 3.437 7.604 1.00 0.00 C ATOM 701 OG SER A 42 -3.615 4.254 7.168 1.00 0.00 O ATOM 0 H SER A 42 -3.277 2.818 5.360 1.00 0.00 H new ATOM 0 HA SER A 42 -0.989 4.213 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.873 2.462 7.933 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.014 3.897 8.456 1.00 0.00 H new ATOM 0 HG SER A 42 -4.378 3.682 6.944 1.00 0.00 H new ATOM 707 N LEU A 43 0.724 2.593 6.875 1.00 0.00 N ATOM 708 CA LEU A 43 1.820 1.654 7.033 1.00 0.00 C ATOM 709 C LEU A 43 1.641 0.794 8.258 1.00 0.00 C ATOM 710 O LEU A 43 1.870 -0.402 8.210 1.00 0.00 O ATOM 711 CB LEU A 43 3.175 2.372 7.068 1.00 0.00 C ATOM 712 CG LEU A 43 3.650 2.651 5.630 1.00 0.00 C ATOM 713 CD1 LEU A 43 2.703 3.640 4.944 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.062 3.238 5.658 1.00 0.00 C ATOM 0 H LEU A 43 1.000 3.574 6.921 1.00 0.00 H new ATOM 0 HA LEU A 43 1.808 1.001 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.088 3.307 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.909 1.759 7.592 1.00 0.00 H new ATOM 0 HG LEU A 43 3.654 1.714 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.049 3.830 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.698 3.219 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.687 4.576 5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.395 3.434 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.058 4.170 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.741 2.529 6.131 1.00 0.00 H new ATOM 726 N GLN A 44 1.200 1.390 9.347 1.00 0.00 N ATOM 727 CA GLN A 44 0.985 0.631 10.570 1.00 0.00 C ATOM 728 C GLN A 44 -0.012 -0.484 10.300 1.00 0.00 C ATOM 729 O GLN A 44 0.237 -1.649 10.612 1.00 0.00 O ATOM 730 CB GLN A 44 0.440 1.555 11.659 1.00 0.00 C ATOM 731 CG GLN A 44 1.333 2.797 11.762 1.00 0.00 C ATOM 732 CD GLN A 44 0.634 3.975 11.103 1.00 0.00 C ATOM 733 OE1 GLN A 44 0.303 3.906 9.912 1.00 0.00 O ATOM 734 NE2 GLN A 44 0.386 5.043 11.786 1.00 0.00 N ATOM 0 H GLN A 44 0.985 2.385 9.415 1.00 0.00 H new ATOM 0 HA GLN A 44 1.930 0.202 10.904 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.584 1.847 11.425 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.412 1.032 12.615 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.543 3.022 12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.292 2.611 11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.660 5.096 12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.084 5.833 11.344 1.00 0.00 H new ATOM 743 N LEU A 45 -1.105 -0.132 9.637 1.00 0.00 N ATOM 744 CA LEU A 45 -2.107 -1.109 9.237 1.00 0.00 C ATOM 745 C LEU A 45 -1.507 -2.086 8.230 1.00 0.00 C ATOM 746 O LEU A 45 -1.734 -3.295 8.301 1.00 0.00 O ATOM 747 CB LEU A 45 -3.314 -0.395 8.611 1.00 0.00 C ATOM 748 CG LEU A 45 -4.059 0.417 9.688 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.096 1.333 9.027 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.777 -0.533 10.656 1.00 0.00 C ATOM 0 H LEU A 45 -1.320 0.827 9.364 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.436 -1.660 10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.982 0.265 7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.988 -1.125 8.163 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.334 1.019 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.619 1.904 9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.594 2.018 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.814 0.729 8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.301 0.048 11.414 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.494 -1.141 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.046 -1.182 11.138 1.00 0.00 H new ATOM 762 N ALA A 46 -0.745 -1.544 7.289 1.00 0.00 N ATOM 763 CA ALA A 46 -0.106 -2.340 6.248 1.00 0.00 C ATOM 764 C ALA A 46 0.994 -3.239 6.802 1.00 0.00 C ATOM 765 O ALA A 46 1.304 -4.266 6.215 1.00 0.00 O ATOM 766 CB ALA A 46 0.474 -1.433 5.154 1.00 0.00 C ATOM 0 H ALA A 46 -0.553 -0.544 7.225 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.879 -2.980 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.947 -2.046 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.327 -0.845 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.215 -0.764 5.591 1.00 0.00 H new ATOM 772 N LEU A 47 1.715 -2.733 7.787 1.00 0.00 N ATOM 773 CA LEU A 47 2.969 -3.345 8.224 1.00 0.00 C ATOM 774 C LEU A 47 2.834 -4.848 8.451 1.00 0.00 C ATOM 775 O LEU A 47 3.571 -5.632 7.854 1.00 0.00 O ATOM 776 CB LEU A 47 3.466 -2.660 9.518 1.00 0.00 C ATOM 777 CG LEU A 47 5.007 -2.723 9.619 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.499 -4.164 9.481 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.641 -1.862 8.517 1.00 0.00 C ATOM 0 H LEU A 47 1.456 -1.894 8.306 1.00 0.00 H new ATOM 0 HA LEU A 47 3.696 -3.201 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.139 -1.620 9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.021 -3.146 10.386 1.00 0.00 H new ATOM 0 HG LEU A 47 5.301 -2.341 10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.586 -4.186 9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.069 -4.773 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.193 -4.562 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.727 -1.912 8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.330 -2.234 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.316 -0.828 8.631 1.00 0.00 H new ATOM 791 N LYS A 48 1.937 -5.259 9.332 1.00 0.00 N ATOM 792 CA LYS A 48 1.826 -6.681 9.642 1.00 0.00 C ATOM 793 C LYS A 48 1.372 -7.482 8.422 1.00 0.00 C ATOM 794 O LYS A 48 1.958 -8.518 8.093 1.00 0.00 O ATOM 795 CB LYS A 48 0.867 -6.903 10.812 1.00 0.00 C ATOM 796 CG LYS A 48 1.484 -6.307 12.085 1.00 0.00 C ATOM 797 CD LYS A 48 0.542 -6.536 13.277 1.00 0.00 C ATOM 798 CE LYS A 48 1.134 -5.907 14.555 1.00 0.00 C ATOM 799 NZ LYS A 48 2.502 -5.389 14.289 1.00 0.00 N ATOM 0 H LYS A 48 1.290 -4.651 9.835 1.00 0.00 H new ATOM 0 HA LYS A 48 2.816 -7.037 9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.095 -6.434 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.679 -7.968 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.452 -6.768 12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.661 -5.240 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.434 -6.099 13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.387 -7.604 13.427 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.492 -5.097 14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.168 -6.650 15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.902 -4.999 15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.106 -6.164 13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.456 -4.642 13.567 1.00 0.00 H new ATOM 813 N ILE A 49 0.385 -6.958 7.717 1.00 0.00 N ATOM 814 CA ILE A 49 -0.128 -7.587 6.505 1.00 0.00 C ATOM 815 C ILE A 49 0.894 -7.538 5.367 1.00 0.00 C ATOM 816 O ILE A 49 0.837 -8.340 4.429 1.00 0.00 O ATOM 817 CB ILE A 49 -1.482 -6.965 6.103 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.131 -7.776 4.979 1.00 0.00 C ATOM 819 CG2 ILE A 49 -1.296 -5.521 5.650 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.405 -9.205 5.451 1.00 0.00 C ATOM 0 H ILE A 49 -0.085 -6.087 7.965 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.301 -8.642 6.716 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.134 -6.981 6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.063 -7.302 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.477 -7.792 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.262 -5.100 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.867 -4.937 6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.626 -5.493 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.867 -9.773 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.467 -9.680 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.077 -9.182 6.309 1.00 0.00 H new ATOM 832 N ALA A 50 1.768 -6.539 5.423 1.00 0.00 N ATOM 833 CA ALA A 50 2.770 -6.279 4.384 1.00 0.00 C ATOM 834 C ALA A 50 3.427 -7.553 3.859 1.00 0.00 C ATOM 835 O ALA A 50 4.028 -7.539 2.789 1.00 0.00 O ATOM 836 CB ALA A 50 3.849 -5.321 4.898 1.00 0.00 C ATOM 0 H ALA A 50 1.805 -5.877 6.198 1.00 0.00 H new ATOM 0 HA ALA A 50 2.234 -5.820 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.582 -5.142 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.389 -4.376 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.345 -5.762 5.762 1.00 0.00 H new ATOM 842 N TYR A 51 3.322 -8.647 4.599 1.00 0.00 N ATOM 843 CA TYR A 51 3.907 -9.902 4.146 1.00 0.00 C ATOM 844 C TYR A 51 3.310 -10.281 2.800 1.00 0.00 C ATOM 845 O TYR A 51 4.019 -10.729 1.895 1.00 0.00 O ATOM 846 CB TYR A 51 3.681 -11.036 5.169 1.00 0.00 C ATOM 847 CG TYR A 51 2.241 -11.499 5.128 1.00 0.00 C ATOM 848 CD1 TYR A 51 1.844 -12.446 4.179 1.00 0.00 C ATOM 849 CD2 TYR A 51 1.306 -10.977 6.022 1.00 0.00 C ATOM 850 CE1 TYR A 51 0.518 -12.866 4.123 1.00 0.00 C ATOM 851 CE2 TYR A 51 -0.024 -11.404 5.969 1.00 0.00 C ATOM 852 CZ TYR A 51 -0.417 -12.347 5.017 1.00 0.00 C ATOM 853 OH TYR A 51 -1.730 -12.759 4.951 1.00 0.00 O ATOM 0 H TYR A 51 2.846 -8.693 5.500 1.00 0.00 H new ATOM 0 HA TYR A 51 4.983 -9.762 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.345 -11.872 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.930 -10.686 6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.568 -12.852 3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.609 -10.244 6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.213 -13.595 3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.748 -11.005 6.664 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.251 -12.303 5.644 1.00 0.00 H new ATOM 863 N TYR A 52 1.999 -10.102 2.672 1.00 0.00 N ATOM 864 CA TYR A 52 1.315 -10.418 1.428 1.00 0.00 C ATOM 865 C TYR A 52 1.863 -9.547 0.306 1.00 0.00 C ATOM 866 O TYR A 52 2.285 -10.052 -0.739 1.00 0.00 O ATOM 867 CB TYR A 52 -0.207 -10.264 1.574 1.00 0.00 C ATOM 868 CG TYR A 52 -0.887 -10.579 0.255 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.733 -11.848 -0.325 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.661 -9.610 -0.387 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.353 -12.143 -1.542 1.00 0.00 C ATOM 872 CE2 TYR A 52 -2.280 -9.905 -1.604 1.00 0.00 C ATOM 873 CZ TYR A 52 -2.126 -11.173 -2.184 1.00 0.00 C ATOM 874 OH TYR A 52 -2.736 -11.462 -3.393 1.00 0.00 O ATOM 0 H TYR A 52 1.394 -9.742 3.411 1.00 0.00 H new ATOM 0 HA TYR A 52 1.503 -11.462 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.576 -10.932 2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.450 -9.248 1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.134 -12.598 0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.781 -8.633 0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.235 -13.120 -1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.879 -9.155 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.416 -10.783 -3.587 1.00 0.00 H new ATOM 884 N LEU A 53 2.022 -8.259 0.588 1.00 0.00 N ATOM 885 CA LEU A 53 2.695 -7.376 -0.351 1.00 0.00 C ATOM 886 C LEU A 53 4.185 -7.624 -0.264 1.00 0.00 C ATOM 887 O LEU A 53 4.919 -6.915 0.435 1.00 0.00 O ATOM 888 CB LEU A 53 2.375 -5.899 -0.056 1.00 0.00 C ATOM 889 CG LEU A 53 3.220 -4.964 -0.959 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.987 -5.260 -2.445 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.836 -3.513 -0.677 1.00 0.00 C ATOM 0 H LEU A 53 1.699 -7.810 1.445 1.00 0.00 H new ATOM 0 HA LEU A 53 2.341 -7.588 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.314 -5.712 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.577 -5.680 0.993 1.00 0.00 H new ATOM 0 HG LEU A 53 4.273 -5.135 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.595 -4.587 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.267 -6.292 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.934 -5.112 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.427 -2.851 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.777 -3.369 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.029 -3.282 0.371 1.00 0.00 H new ATOM 903 N ASN A 54 4.615 -8.681 -0.912 1.00 0.00 N ATOM 904 CA ASN A 54 5.998 -9.094 -0.830 1.00 0.00 C ATOM 905 C ASN A 54 6.868 -8.097 -1.565 1.00 0.00 C ATOM 906 O ASN A 54 7.125 -8.237 -2.763 1.00 0.00 O ATOM 907 CB ASN A 54 6.158 -10.482 -1.439 1.00 0.00 C ATOM 908 CG ASN A 54 7.196 -11.281 -0.663 1.00 0.00 C ATOM 909 OD1 ASN A 54 8.367 -11.308 -1.040 1.00 0.00 O ATOM 910 ND2 ASN A 54 6.844 -11.934 0.400 1.00 0.00 N ATOM 0 H ASN A 54 4.028 -9.271 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 54 6.305 -9.131 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.202 -11.005 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.460 -10.396 -2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.537 -12.469 0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.874 -11.913 0.714 1.00 0.00 H new ATOM 917 N THR A 55 7.236 -7.050 -0.871 1.00 0.00 N ATOM 918 CA THR A 55 8.042 -5.978 -1.422 1.00 0.00 C ATOM 919 C THR A 55 8.551 -5.113 -0.276 1.00 0.00 C ATOM 920 O THR A 55 7.770 -4.724 0.591 1.00 0.00 O ATOM 921 CB THR A 55 7.206 -5.136 -2.406 1.00 0.00 C ATOM 922 OG1 THR A 55 6.855 -5.934 -3.535 1.00 0.00 O ATOM 923 CG2 THR A 55 8.013 -3.921 -2.879 1.00 0.00 C ATOM 0 H THR A 55 6.983 -6.912 0.107 1.00 0.00 H new ATOM 0 HA THR A 55 8.888 -6.393 -1.969 1.00 0.00 H new ATOM 0 HB THR A 55 6.304 -4.792 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.426 -6.730 -3.563 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.413 -3.333 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.281 -3.305 -2.020 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.920 -4.259 -3.380 1.00 0.00 H new ATOM 931 N PRO A 56 9.821 -4.822 -0.231 1.00 0.00 N ATOM 932 CA PRO A 56 10.370 -3.998 0.884 1.00 0.00 C ATOM 933 C PRO A 56 9.708 -2.631 0.942 1.00 0.00 C ATOM 934 O PRO A 56 9.479 -2.002 -0.085 1.00 0.00 O ATOM 935 CB PRO A 56 11.857 -3.856 0.541 1.00 0.00 C ATOM 936 CG PRO A 56 12.155 -5.032 -0.322 1.00 0.00 C ATOM 937 CD PRO A 56 10.894 -5.276 -1.140 1.00 0.00 C ATOM 0 HA PRO A 56 10.196 -4.456 1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.056 -2.920 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.473 -3.857 1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.009 -4.835 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.406 -5.905 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.901 -4.711 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.781 -6.327 -1.406 1.00 0.00 H new ATOM 945 N LEU A 57 9.478 -2.155 2.144 1.00 0.00 N ATOM 946 CA LEU A 57 8.933 -0.824 2.361 1.00 0.00 C ATOM 947 C LEU A 57 10.078 0.117 2.711 1.00 0.00 C ATOM 948 O LEU A 57 9.868 1.245 3.156 1.00 0.00 O ATOM 949 CB LEU A 57 7.918 -0.850 3.515 1.00 0.00 C ATOM 950 CG LEU A 57 6.786 -1.852 3.212 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.838 -1.936 4.411 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.993 -1.405 1.981 1.00 0.00 C ATOM 0 H LEU A 57 9.662 -2.675 3.002 1.00 0.00 H new ATOM 0 HA LEU A 57 8.427 -0.483 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.419 -1.127 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.501 0.146 3.663 1.00 0.00 H new ATOM 0 HG LEU A 57 7.230 -2.829 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.039 -2.645 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.391 -2.270 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.408 -0.953 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.198 -2.123 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.558 -0.423 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.659 -1.351 1.119 1.00 0.00 H new ATOM 964 N GLU A 58 11.282 -0.429 2.666 1.00 0.00 N ATOM 965 CA GLU A 58 12.461 0.256 3.151 1.00 0.00 C ATOM 966 C GLU A 58 12.698 1.554 2.391 1.00 0.00 C ATOM 967 O GLU A 58 12.955 2.590 2.993 1.00 0.00 O ATOM 968 CB GLU A 58 13.680 -0.663 3.000 1.00 0.00 C ATOM 969 CG GLU A 58 13.471 -1.932 3.839 1.00 0.00 C ATOM 970 CD GLU A 58 14.690 -2.820 3.746 1.00 0.00 C ATOM 971 OE1 GLU A 58 14.753 -3.623 2.840 1.00 0.00 O ATOM 972 OE2 GLU A 58 15.550 -2.689 4.589 1.00 0.00 O ATOM 0 H GLU A 58 11.466 -1.360 2.292 1.00 0.00 H new ATOM 0 HA GLU A 58 12.308 0.504 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.823 -0.926 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.582 -0.144 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.285 -1.664 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.591 -2.470 3.486 1.00 0.00 H new ATOM 979 N ASP A 59 12.575 1.503 1.079 1.00 0.00 N ATOM 980 CA ASP A 59 12.778 2.690 0.259 1.00 0.00 C ATOM 981 C ASP A 59 11.702 3.732 0.513 1.00 0.00 C ATOM 982 O ASP A 59 11.983 4.932 0.536 1.00 0.00 O ATOM 983 CB ASP A 59 12.825 2.329 -1.230 1.00 0.00 C ATOM 984 CG ASP A 59 11.553 1.625 -1.673 1.00 0.00 C ATOM 985 OD1 ASP A 59 10.856 1.080 -0.835 1.00 0.00 O ATOM 986 OD2 ASP A 59 11.301 1.622 -2.856 1.00 0.00 O ATOM 0 H ASP A 59 12.337 0.660 0.557 1.00 0.00 H new ATOM 0 HA ASP A 59 13.739 3.119 0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.966 3.234 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.684 1.686 -1.423 1.00 0.00 H new ATOM 991 N ILE A 60 10.479 3.283 0.719 1.00 0.00 N ATOM 992 CA ILE A 60 9.381 4.202 0.996 1.00 0.00 C ATOM 993 C ILE A 60 9.394 4.649 2.456 1.00 0.00 C ATOM 994 O ILE A 60 8.796 5.673 2.812 1.00 0.00 O ATOM 995 CB ILE A 60 8.021 3.593 0.614 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.785 2.299 1.392 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.989 3.291 -0.887 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.360 1.808 1.136 1.00 0.00 C ATOM 0 H ILE A 60 10.217 2.297 0.701 1.00 0.00 H new ATOM 0 HA ILE A 60 9.529 5.084 0.373 1.00 0.00 H new ATOM 0 HB ILE A 60 7.237 4.310 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.504 1.540 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.937 2.469 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.023 2.860 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.140 4.214 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.781 2.584 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.188 0.885 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.649 2.566 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.225 1.622 0.070 1.00 0.00 H new