USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 22 THR OG1 : rot -43:sc= 0.865 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.52 K(o=2.4,f=-8.7!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 175:sc= 1.13 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -159:sc= 0.997 USER MOD Set 3.1: A 7 THR OG1 : rot 132:sc= 0.5 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.505 USER MOD Single : A 1 MET CE :methyl 165:sc= 0 (180deg=-0.423) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.713 (180deg=0.706) USER MOD Single : A 2 GLN : amide:sc= 0.219 K(o=0.22,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.11) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 3.01 (180deg=2.95) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 0.365 (180deg=-0.382) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.242 K(o=-0.24,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= 0.144 X(o=0.14,f=-0.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.591 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 62 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.859 43.944 -12.448 1.00 0.00 N ATOM 2 CA MET A 1 -5.378 44.582 -11.195 1.00 0.00 C ATOM 3 C MET A 1 -4.241 45.083 -10.262 1.00 0.00 C ATOM 4 O MET A 1 -3.282 44.345 -10.104 1.00 0.00 O ATOM 5 CB MET A 1 -6.295 43.472 -10.569 1.00 0.00 C ATOM 6 CG MET A 1 -5.601 42.582 -9.418 1.00 0.00 C ATOM 7 SD MET A 1 -6.582 41.093 -8.996 1.00 0.00 S ATOM 8 CE MET A 1 -5.266 39.942 -8.379 1.00 0.00 C ATOM 0 H1 MET A 1 -5.657 43.598 -13.018 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.320 44.644 -12.997 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.239 43.147 -12.200 1.00 0.00 H new ATOM 0 HA MET A 1 -5.937 45.499 -11.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.183 43.948 -10.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.632 42.809 -11.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.608 42.277 -9.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.467 43.191 -8.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.729 39.112 -7.846 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.694 39.557 -9.223 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.599 40.480 -7.705 1.00 0.00 H new ATOM 18 N GLN A 2 -4.342 46.267 -9.606 1.00 0.00 N ATOM 19 CA GLN A 2 -3.354 46.650 -8.577 1.00 0.00 C ATOM 20 C GLN A 2 -3.564 45.855 -7.286 1.00 0.00 C ATOM 21 O GLN A 2 -4.699 45.675 -6.843 1.00 0.00 O ATOM 22 CB GLN A 2 -3.406 48.131 -8.335 1.00 0.00 C ATOM 23 CG GLN A 2 -4.513 48.814 -7.504 1.00 0.00 C ATOM 24 CD GLN A 2 -4.171 50.325 -7.452 1.00 0.00 C ATOM 25 OE1 GLN A 2 -3.205 50.772 -8.117 1.00 0.00 O ATOM 26 NE2 GLN A 2 -4.995 51.283 -6.968 1.00 0.00 N ATOM 0 H GLN A 2 -5.079 46.954 -9.768 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.357 46.404 -8.942 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.459 48.400 -7.867 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.422 48.603 -9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.491 48.655 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.557 48.393 -6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.811 51.022 -6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.801 52.266 -7.157 1.00 0.00 H new ATOM 35 N ILE A 3 -2.489 45.409 -6.658 1.00 0.00 N ATOM 36 CA ILE A 3 -2.593 44.915 -5.258 1.00 0.00 C ATOM 37 C ILE A 3 -1.519 45.651 -4.496 1.00 0.00 C ATOM 38 O ILE A 3 -0.747 46.383 -5.097 1.00 0.00 O ATOM 39 CB ILE A 3 -2.478 43.374 -5.121 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.037 42.912 -5.541 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.566 42.687 -5.993 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.708 41.481 -5.120 1.00 0.00 C ATOM 0 H ILE A 3 -1.553 45.371 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.586 45.116 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.640 43.083 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.939 42.995 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.305 43.589 -5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.482 41.605 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.554 43.006 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.426 42.968 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.302 41.230 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.774 41.397 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.418 40.794 -5.581 1.00 0.00 H new ATOM 54 N PHE A 4 -1.512 45.487 -3.181 1.00 0.00 N ATOM 55 CA PHE A 4 -0.575 46.239 -2.361 1.00 0.00 C ATOM 56 C PHE A 4 0.224 45.263 -1.561 1.00 0.00 C ATOM 57 O PHE A 4 -0.320 44.354 -0.956 1.00 0.00 O ATOM 58 CB PHE A 4 -1.276 47.177 -1.315 1.00 0.00 C ATOM 59 CG PHE A 4 -2.334 48.176 -1.790 1.00 0.00 C ATOM 60 CD1 PHE A 4 -2.018 49.076 -2.789 1.00 0.00 C ATOM 61 CD2 PHE A 4 -3.604 48.183 -1.236 1.00 0.00 C ATOM 62 CE1 PHE A 4 -2.940 50.092 -3.181 1.00 0.00 C ATOM 63 CE2 PHE A 4 -4.546 49.165 -1.655 1.00 0.00 C ATOM 64 CZ PHE A 4 -4.212 50.064 -2.688 1.00 0.00 C ATOM 0 H PHE A 4 -2.129 44.856 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 4 0.018 46.850 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.743 46.539 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.495 47.744 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.059 49.010 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.877 47.449 -0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.635 50.874 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.515 49.221 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.962 50.730 -3.089 1.00 0.00 H new ATOM 74 N VAL A 5 1.523 45.534 -1.335 1.00 0.00 N ATOM 75 CA VAL A 5 2.301 44.664 -0.468 1.00 0.00 C ATOM 76 C VAL A 5 3.120 45.569 0.489 1.00 0.00 C ATOM 77 O VAL A 5 4.046 46.324 0.110 1.00 0.00 O ATOM 78 CB VAL A 5 3.322 43.758 -1.237 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.180 42.840 -0.303 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.677 42.928 -2.405 1.00 0.00 C ATOM 0 H VAL A 5 2.032 46.324 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 5 1.599 44.006 0.044 1.00 0.00 H new ATOM 0 HB VAL A 5 4.006 44.472 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.863 42.243 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.753 43.458 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.522 42.179 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.445 42.326 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.903 42.274 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.235 43.608 -3.133 1.00 0.00 H new ATOM 90 N LYS A 6 2.882 45.350 1.788 1.00 0.00 N ATOM 91 CA LYS A 6 3.652 45.947 2.860 1.00 0.00 C ATOM 92 C LYS A 6 5.100 45.363 3.064 1.00 0.00 C ATOM 93 O LYS A 6 5.309 44.148 3.226 1.00 0.00 O ATOM 94 CB LYS A 6 2.770 45.738 4.178 1.00 0.00 C ATOM 95 CG LYS A 6 1.572 46.669 4.391 1.00 0.00 C ATOM 96 CD LYS A 6 2.074 48.101 4.816 1.00 0.00 C ATOM 97 CE LYS A 6 0.873 49.081 5.038 1.00 0.00 C ATOM 98 NZ LYS A 6 1.354 50.508 4.967 1.00 0.00 N ATOM 0 H LYS A 6 2.134 44.741 2.118 1.00 0.00 H new ATOM 0 HA LYS A 6 3.839 46.993 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.401 44.712 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.429 45.837 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.986 46.737 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.916 46.261 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.660 48.026 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.735 48.500 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.107 48.908 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.412 48.891 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.540 51.152 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.005 50.694 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.849 50.663 4.065 1.00 0.00 H new ATOM 112 N THR A 7 6.114 46.259 3.054 1.00 0.00 N ATOM 113 CA THR A 7 7.551 45.833 3.286 1.00 0.00 C ATOM 114 C THR A 7 7.906 45.784 4.783 1.00 0.00 C ATOM 115 O THR A 7 7.009 45.736 5.587 1.00 0.00 O ATOM 116 CB THR A 7 8.610 46.643 2.444 1.00 0.00 C ATOM 117 OG1 THR A 7 8.811 47.927 2.988 1.00 0.00 O ATOM 118 CG2 THR A 7 8.101 46.828 1.005 1.00 0.00 C ATOM 0 H THR A 7 5.990 47.259 2.894 1.00 0.00 H new ATOM 0 HA THR A 7 7.611 44.814 2.904 1.00 0.00 H new ATOM 0 HB THR A 7 9.544 46.081 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.772 48.103 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.837 47.388 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.946 45.852 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.158 47.375 1.020 1.00 0.00 H new ATOM 126 N LEU A 8 9.179 45.622 5.172 1.00 0.00 N ATOM 127 CA LEU A 8 9.597 45.815 6.606 1.00 0.00 C ATOM 128 C LEU A 8 10.536 47.019 6.815 1.00 0.00 C ATOM 129 O LEU A 8 11.195 47.125 7.853 1.00 0.00 O ATOM 130 CB LEU A 8 10.224 44.502 7.200 1.00 0.00 C ATOM 131 CG LEU A 8 9.224 43.404 7.641 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.003 42.198 8.195 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.229 43.892 8.819 1.00 0.00 C ATOM 0 H LEU A 8 9.939 45.363 4.543 1.00 0.00 H new ATOM 0 HA LEU A 8 8.683 46.043 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.894 44.075 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.836 44.773 8.060 1.00 0.00 H new ATOM 0 HG LEU A 8 8.635 43.155 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.302 41.424 8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.660 41.802 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.600 42.512 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.553 43.079 9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.813 44.178 9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.649 44.748 8.474 1.00 0.00 H new ATOM 145 N THR A 9 10.513 48.028 5.906 1.00 0.00 N ATOM 146 CA THR A 9 11.218 49.333 6.045 1.00 0.00 C ATOM 147 C THR A 9 10.231 50.491 6.122 1.00 0.00 C ATOM 148 O THR A 9 10.661 51.640 6.172 1.00 0.00 O ATOM 149 CB THR A 9 12.121 49.509 4.769 1.00 0.00 C ATOM 150 OG1 THR A 9 11.440 49.054 3.604 1.00 0.00 O ATOM 151 CG2 THR A 9 13.380 48.636 4.837 1.00 0.00 C ATOM 0 H THR A 9 9.991 47.956 5.033 1.00 0.00 H new ATOM 0 HA THR A 9 11.806 49.337 6.963 1.00 0.00 H new ATOM 0 HB THR A 9 12.366 50.570 4.729 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.017 49.173 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.976 48.787 3.937 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.968 48.913 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.092 47.587 4.910 1.00 0.00 H new ATOM 159 N GLY A 10 8.924 50.203 6.157 1.00 0.00 N ATOM 160 CA GLY A 10 7.918 51.251 6.244 1.00 0.00 C ATOM 161 C GLY A 10 7.296 51.737 4.944 1.00 0.00 C ATOM 162 O GLY A 10 6.768 52.846 4.926 1.00 0.00 O ATOM 0 H GLY A 10 8.547 49.256 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.115 50.893 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.369 52.109 6.743 1.00 0.00 H new ATOM 166 N LYS A 11 7.335 50.864 3.921 1.00 0.00 N ATOM 167 CA LYS A 11 6.783 51.087 2.563 1.00 0.00 C ATOM 168 C LYS A 11 5.632 50.138 2.159 1.00 0.00 C ATOM 169 O LYS A 11 5.615 48.993 2.573 1.00 0.00 O ATOM 170 CB LYS A 11 7.887 50.910 1.487 1.00 0.00 C ATOM 171 CG LYS A 11 9.084 51.966 1.611 1.00 0.00 C ATOM 172 CD LYS A 11 10.166 51.755 0.569 1.00 0.00 C ATOM 173 CE LYS A 11 9.577 51.804 -0.873 1.00 0.00 C ATOM 174 NZ LYS A 11 10.666 51.977 -1.827 1.00 0.00 N ATOM 0 H LYS A 11 7.768 49.946 4.017 1.00 0.00 H new ATOM 0 HA LYS A 11 6.391 52.103 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.295 49.902 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.436 51.000 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.684 52.975 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.525 51.893 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.933 52.521 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.651 50.793 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.031 50.885 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.866 52.625 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.325 52.513 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.445 52.497 -1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.006 51.045 -2.138 1.00 0.00 H new ATOM 188 N THR A 12 4.624 50.675 1.399 1.00 0.00 N ATOM 189 CA THR A 12 3.608 49.849 0.747 1.00 0.00 C ATOM 190 C THR A 12 3.855 49.803 -0.750 1.00 0.00 C ATOM 191 O THR A 12 3.699 50.811 -1.436 1.00 0.00 O ATOM 192 CB THR A 12 2.163 50.303 0.898 1.00 0.00 C ATOM 193 OG1 THR A 12 1.942 50.640 2.271 1.00 0.00 O ATOM 194 CG2 THR A 12 1.282 49.094 0.468 1.00 0.00 C ATOM 0 H THR A 12 4.513 51.676 1.237 1.00 0.00 H new ATOM 0 HA THR A 12 3.714 48.890 1.255 1.00 0.00 H new ATOM 0 HB THR A 12 1.925 51.176 0.291 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.982 50.611 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.229 49.362 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.505 48.831 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.495 48.241 1.113 1.00 0.00 H new ATOM 202 N ILE A 13 4.254 48.650 -1.290 1.00 0.00 N ATOM 203 CA ILE A 13 4.556 48.610 -2.713 1.00 0.00 C ATOM 204 C ILE A 13 3.194 48.482 -3.429 1.00 0.00 C ATOM 205 O ILE A 13 2.341 47.765 -2.874 1.00 0.00 O ATOM 206 CB ILE A 13 5.474 47.380 -3.029 1.00 0.00 C ATOM 207 CG1 ILE A 13 6.718 47.323 -2.071 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.866 47.436 -4.536 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.501 48.687 -2.023 1.00 0.00 C ATOM 0 H ILE A 13 4.371 47.770 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 13 5.090 49.501 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 13 4.933 46.452 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.387 47.061 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.391 46.532 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.506 46.587 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.965 47.396 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.402 48.363 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.351 48.595 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.857 48.937 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.838 49.475 -1.666 1.00 0.00 H new ATOM 221 N THR A 14 2.907 49.097 -4.596 1.00 0.00 N ATOM 222 CA THR A 14 1.672 48.751 -5.334 1.00 0.00 C ATOM 223 C THR A 14 2.089 47.970 -6.560 1.00 0.00 C ATOM 224 O THR A 14 2.867 48.473 -7.322 1.00 0.00 O ATOM 225 CB THR A 14 0.851 49.971 -5.766 1.00 0.00 C ATOM 226 OG1 THR A 14 0.520 50.803 -4.626 1.00 0.00 O ATOM 227 CG2 THR A 14 -0.473 49.480 -6.315 1.00 0.00 C ATOM 0 H THR A 14 3.489 49.810 -5.036 1.00 0.00 H new ATOM 0 HA THR A 14 1.028 48.176 -4.669 1.00 0.00 H new ATOM 0 HB THR A 14 1.435 50.534 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.002 51.576 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.075 50.332 -6.629 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.293 48.828 -7.170 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.005 48.926 -5.541 1.00 0.00 H new ATOM 235 N LEU A 15 1.566 46.770 -6.766 1.00 0.00 N ATOM 236 CA LEU A 15 1.980 45.947 -7.951 1.00 0.00 C ATOM 237 C LEU A 15 0.823 45.632 -8.831 1.00 0.00 C ATOM 238 O LEU A 15 -0.262 45.516 -8.269 1.00 0.00 O ATOM 239 CB LEU A 15 2.602 44.583 -7.516 1.00 0.00 C ATOM 240 CG LEU A 15 3.781 44.736 -6.508 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.050 43.333 -5.949 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.023 45.319 -7.279 1.00 0.00 C ATOM 0 H LEU A 15 0.871 46.332 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 15 2.715 46.549 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.826 43.965 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.956 44.054 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 15 3.560 45.419 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.871 43.378 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.154 42.962 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.316 42.661 -6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.859 45.433 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.306 44.638 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.766 46.290 -7.701 1.00 0.00 H new ATOM 254 N GLU A 16 1.067 45.586 -10.187 1.00 0.00 N ATOM 255 CA GLU A 16 0.077 45.184 -11.123 1.00 0.00 C ATOM 256 C GLU A 16 0.286 43.706 -11.425 1.00 0.00 C ATOM 257 O GLU A 16 1.357 43.354 -11.838 1.00 0.00 O ATOM 258 CB GLU A 16 0.171 45.987 -12.433 1.00 0.00 C ATOM 259 CG GLU A 16 -0.106 47.516 -12.196 1.00 0.00 C ATOM 260 CD GLU A 16 -0.362 48.083 -13.610 1.00 0.00 C ATOM 261 OE1 GLU A 16 0.581 48.633 -14.145 1.00 0.00 O ATOM 262 OE2 GLU A 16 -1.486 47.965 -14.114 1.00 0.00 O ATOM 0 H GLU A 16 1.962 45.834 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.908 45.366 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.162 45.859 -12.868 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.546 45.594 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.967 47.668 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.744 48.005 -11.720 1.00 0.00 H new ATOM 269 N VAL A 17 -0.727 42.898 -11.237 1.00 0.00 N ATOM 270 CA VAL A 17 -0.657 41.437 -11.373 1.00 0.00 C ATOM 271 C VAL A 17 -1.944 40.995 -12.108 1.00 0.00 C ATOM 272 O VAL A 17 -2.880 41.776 -12.193 1.00 0.00 O ATOM 273 CB VAL A 17 -0.646 40.836 -9.900 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.649 41.152 -9.121 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.957 41.285 -9.133 1.00 0.00 C ATOM 0 H VAL A 17 -1.655 43.232 -10.978 1.00 0.00 H new ATOM 0 HA VAL A 17 0.224 41.103 -11.921 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.651 39.749 -9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.591 40.713 -8.125 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.504 40.734 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.768 42.232 -9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.948 40.872 -8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.993 42.373 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.834 40.919 -9.667 1.00 0.00 H new ATOM 285 N GLU A 18 -1.985 39.760 -12.635 1.00 0.00 N ATOM 286 CA GLU A 18 -3.222 39.110 -13.060 1.00 0.00 C ATOM 287 C GLU A 18 -3.704 38.189 -11.879 1.00 0.00 C ATOM 288 O GLU A 18 -2.884 37.743 -11.077 1.00 0.00 O ATOM 289 CB GLU A 18 -2.981 38.163 -14.251 1.00 0.00 C ATOM 290 CG GLU A 18 -2.410 38.977 -15.437 1.00 0.00 C ATOM 291 CD GLU A 18 -2.297 38.156 -16.759 1.00 0.00 C ATOM 292 OE1 GLU A 18 -1.605 37.117 -16.771 1.00 0.00 O ATOM 293 OE2 GLU A 18 -2.849 38.657 -17.743 1.00 0.00 O ATOM 0 H GLU A 18 -1.153 39.187 -12.776 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.937 39.885 -13.336 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.286 37.372 -13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.913 37.679 -14.541 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.046 39.845 -15.611 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.423 39.354 -15.167 1.00 0.00 H new ATOM 300 N PRO A 19 -4.942 37.840 -11.817 1.00 0.00 N ATOM 301 CA PRO A 19 -5.441 36.915 -10.748 1.00 0.00 C ATOM 302 C PRO A 19 -4.917 35.506 -10.875 1.00 0.00 C ATOM 303 O PRO A 19 -4.821 34.858 -9.821 1.00 0.00 O ATOM 304 CB PRO A 19 -7.005 36.962 -10.964 1.00 0.00 C ATOM 305 CG PRO A 19 -7.158 37.143 -12.485 1.00 0.00 C ATOM 306 CD PRO A 19 -6.086 38.197 -12.720 1.00 0.00 C ATOM 0 HA PRO A 19 -5.111 37.220 -9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.485 36.046 -10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.461 37.786 -10.415 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.969 36.223 -13.038 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.153 37.487 -12.768 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.770 38.205 -13.763 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.464 39.194 -12.494 1.00 0.00 H new ATOM 314 N SER A 20 -4.565 34.978 -12.086 1.00 0.00 N ATOM 315 CA SER A 20 -3.887 33.651 -12.222 1.00 0.00 C ATOM 316 C SER A 20 -2.369 33.673 -12.082 1.00 0.00 C ATOM 317 O SER A 20 -1.739 32.724 -12.536 1.00 0.00 O ATOM 318 CB SER A 20 -4.307 33.010 -13.570 1.00 0.00 C ATOM 319 OG SER A 20 -4.056 33.894 -14.716 1.00 0.00 O ATOM 0 H SER A 20 -4.738 35.447 -12.975 1.00 0.00 H new ATOM 0 HA SER A 20 -4.222 33.050 -11.376 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.763 32.076 -13.710 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.367 32.759 -13.534 1.00 0.00 H new ATOM 0 HG SER A 20 -4.335 33.446 -15.542 1.00 0.00 H new ATOM 325 N ASP A 21 -1.773 34.722 -11.541 1.00 0.00 N ATOM 326 CA ASP A 21 -0.365 34.698 -11.144 1.00 0.00 C ATOM 327 C ASP A 21 -0.070 33.878 -9.835 1.00 0.00 C ATOM 328 O ASP A 21 -0.836 33.931 -8.858 1.00 0.00 O ATOM 329 CB ASP A 21 0.140 36.147 -10.961 1.00 0.00 C ATOM 330 CG ASP A 21 0.258 36.848 -12.335 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.347 36.164 -13.349 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.434 38.054 -12.313 1.00 0.00 O ATOM 0 H ASP A 21 -2.242 35.610 -11.363 1.00 0.00 H new ATOM 0 HA ASP A 21 0.165 34.186 -11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.546 36.701 -10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.109 36.142 -10.462 1.00 0.00 H new ATOM 337 N THR A 22 1.124 33.150 -9.774 1.00 0.00 N ATOM 338 CA THR A 22 1.599 32.495 -8.536 1.00 0.00 C ATOM 339 C THR A 22 2.204 33.489 -7.542 1.00 0.00 C ATOM 340 O THR A 22 2.477 34.606 -7.929 1.00 0.00 O ATOM 341 CB THR A 22 2.586 31.281 -8.624 1.00 0.00 C ATOM 342 OG1 THR A 22 3.804 31.628 -9.313 1.00 0.00 O ATOM 343 CG2 THR A 22 1.959 30.103 -9.450 1.00 0.00 C ATOM 0 H THR A 22 1.745 33.022 -10.573 1.00 0.00 H new ATOM 0 HA THR A 22 0.652 32.067 -8.208 1.00 0.00 H new ATOM 0 HB THR A 22 2.787 30.993 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.590 32.164 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.665 29.274 -9.495 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.039 29.770 -8.969 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.736 30.445 -10.461 1.00 0.00 H new ATOM 351 N ILE A 23 2.352 33.067 -6.267 1.00 0.00 N ATOM 352 CA ILE A 23 2.961 33.963 -5.269 1.00 0.00 C ATOM 353 C ILE A 23 4.448 34.282 -5.581 1.00 0.00 C ATOM 354 O ILE A 23 4.855 35.422 -5.470 1.00 0.00 O ATOM 355 CB ILE A 23 2.745 33.489 -3.795 1.00 0.00 C ATOM 356 CG1 ILE A 23 1.441 34.107 -3.237 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.981 33.828 -2.871 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.218 33.543 -3.959 1.00 0.00 C ATOM 0 H ILE A 23 2.071 32.151 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 23 2.419 34.905 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 23 2.653 32.403 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.365 33.902 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.469 35.191 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.784 33.479 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.871 33.333 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.142 34.906 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.686 33.993 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.286 33.771 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.180 32.462 -3.821 1.00 0.00 H new ATOM 370 N GLU A 24 5.201 33.293 -6.030 1.00 0.00 N ATOM 371 CA GLU A 24 6.485 33.523 -6.757 1.00 0.00 C ATOM 372 C GLU A 24 6.478 34.735 -7.718 1.00 0.00 C ATOM 373 O GLU A 24 7.387 35.596 -7.680 1.00 0.00 O ATOM 374 CB GLU A 24 6.806 32.211 -7.612 1.00 0.00 C ATOM 375 CG GLU A 24 7.296 30.942 -6.824 1.00 0.00 C ATOM 376 CD GLU A 24 8.503 31.300 -5.924 1.00 0.00 C ATOM 377 OE1 GLU A 24 9.195 32.283 -6.199 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.698 30.581 -4.940 1.00 0.00 O ATOM 0 H GLU A 24 4.962 32.308 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 24 7.237 33.740 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.906 31.939 -8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.568 32.466 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.483 30.548 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.577 30.156 -7.525 1.00 0.00 H new ATOM 385 N ASN A 25 5.401 34.836 -8.513 1.00 0.00 N ATOM 386 CA ASN A 25 5.236 35.879 -9.475 1.00 0.00 C ATOM 387 C ASN A 25 4.998 37.196 -8.898 1.00 0.00 C ATOM 388 O ASN A 25 5.356 38.201 -9.532 1.00 0.00 O ATOM 389 CB ASN A 25 4.023 35.579 -10.477 1.00 0.00 C ATOM 390 CG ASN A 25 4.305 34.270 -11.152 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.367 33.442 -11.300 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.451 34.143 -11.794 1.00 0.00 N ATOM 0 H ASN A 25 4.624 34.176 -8.487 1.00 0.00 H new ATOM 0 HA ASN A 25 6.190 35.895 -10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.079 35.534 -9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.929 36.377 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.595 33.359 -12.430 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.193 34.829 -11.654 1.00 0.00 H new ATOM 399 N VAL A 26 4.514 37.260 -7.619 1.00 0.00 N ATOM 400 CA VAL A 26 4.460 38.482 -6.900 1.00 0.00 C ATOM 401 C VAL A 26 5.826 38.790 -6.239 1.00 0.00 C ATOM 402 O VAL A 26 6.294 39.920 -6.286 1.00 0.00 O ATOM 403 CB VAL A 26 3.400 38.342 -5.787 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.245 39.651 -5.004 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.022 37.959 -6.408 1.00 0.00 C ATOM 0 H VAL A 26 4.165 36.453 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 26 4.210 39.290 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 26 3.734 37.560 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.492 39.523 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.198 39.916 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.935 40.446 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.280 37.862 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.709 38.736 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.113 37.011 -6.938 1.00 0.00 H new ATOM 415 N LYS A 27 6.452 37.788 -5.585 1.00 0.00 N ATOM 416 CA LYS A 27 7.787 37.977 -4.955 1.00 0.00 C ATOM 417 C LYS A 27 8.877 38.404 -5.938 1.00 0.00 C ATOM 418 O LYS A 27 9.677 39.253 -5.596 1.00 0.00 O ATOM 419 CB LYS A 27 8.438 36.704 -4.206 1.00 0.00 C ATOM 420 CG LYS A 27 7.589 36.105 -3.074 1.00 0.00 C ATOM 421 CD LYS A 27 8.231 34.781 -2.458 1.00 0.00 C ATOM 422 CE LYS A 27 8.592 33.716 -3.545 1.00 0.00 C ATOM 423 NZ LYS A 27 9.183 32.504 -2.917 1.00 0.00 N ATOM 0 H LYS A 27 6.065 36.850 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 27 7.522 38.745 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.629 35.926 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.404 36.999 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.468 36.847 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.593 35.878 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.131 35.044 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.533 34.343 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.697 33.442 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.297 34.142 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.166 31.717 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.166 32.701 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.631 32.246 -2.074 1.00 0.00 H new ATOM 437 N ALA A 28 8.846 37.858 -7.166 1.00 0.00 N ATOM 438 CA ALA A 28 9.714 38.241 -8.248 1.00 0.00 C ATOM 439 C ALA A 28 9.594 39.674 -8.622 1.00 0.00 C ATOM 440 O ALA A 28 10.638 40.337 -8.900 1.00 0.00 O ATOM 441 CB ALA A 28 9.344 37.304 -9.435 1.00 0.00 C ATOM 0 H ALA A 28 8.191 37.119 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 28 10.757 38.132 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.970 37.542 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.507 36.266 -9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.296 37.447 -9.698 1.00 0.00 H new ATOM 447 N LYS A 29 8.392 40.264 -8.578 1.00 0.00 N ATOM 448 CA LYS A 29 8.334 41.704 -8.784 1.00 0.00 C ATOM 449 C LYS A 29 8.986 42.447 -7.561 1.00 0.00 C ATOM 450 O LYS A 29 9.649 43.423 -7.741 1.00 0.00 O ATOM 451 CB LYS A 29 6.888 42.186 -8.965 1.00 0.00 C ATOM 452 CG LYS A 29 6.304 41.496 -10.293 1.00 0.00 C ATOM 453 CD LYS A 29 4.759 41.790 -10.564 1.00 0.00 C ATOM 454 CE LYS A 29 4.329 41.137 -11.932 1.00 0.00 C ATOM 455 NZ LYS A 29 4.861 39.809 -12.070 1.00 0.00 N ATOM 0 H LYS A 29 7.501 39.796 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 29 8.888 41.934 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.284 41.918 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.855 43.272 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.883 41.839 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.449 40.418 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.154 41.388 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.582 42.865 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.241 41.103 -11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.677 41.757 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.224 39.240 -12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.800 39.856 -12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.944 39.369 -11.131 1.00 0.00 H new ATOM 469 N ILE A 30 8.787 42.000 -6.288 1.00 0.00 N ATOM 470 CA ILE A 30 9.546 42.558 -5.131 1.00 0.00 C ATOM 471 C ILE A 30 11.076 42.408 -5.172 1.00 0.00 C ATOM 472 O ILE A 30 11.767 43.363 -4.802 1.00 0.00 O ATOM 473 CB ILE A 30 8.950 41.906 -3.820 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.453 42.266 -3.739 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.726 42.354 -2.529 1.00 0.00 C ATOM 476 CD1 ILE A 30 7.245 43.834 -3.727 1.00 0.00 C ATOM 0 H ILE A 30 8.120 41.269 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 30 9.412 43.639 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 30 9.066 40.823 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.925 41.832 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.019 41.831 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.280 41.881 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.771 42.055 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.665 43.437 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.180 44.059 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.754 44.262 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.658 44.263 -4.640 1.00 0.00 H new ATOM 488 N GLN A 31 11.653 41.298 -5.648 1.00 0.00 N ATOM 489 CA GLN A 31 13.103 41.283 -5.997 1.00 0.00 C ATOM 490 C GLN A 31 13.481 42.362 -7.024 1.00 0.00 C ATOM 491 O GLN A 31 14.472 43.110 -6.834 1.00 0.00 O ATOM 492 CB GLN A 31 13.482 39.889 -6.534 1.00 0.00 C ATOM 493 CG GLN A 31 14.935 39.874 -7.102 1.00 0.00 C ATOM 494 CD GLN A 31 15.340 38.497 -7.657 1.00 0.00 C ATOM 495 OE1 GLN A 31 14.445 37.745 -8.119 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.627 38.150 -7.733 1.00 0.00 N ATOM 0 H GLN A 31 11.166 40.415 -5.802 1.00 0.00 H new ATOM 0 HA GLN A 31 13.661 41.506 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.395 39.153 -5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.781 39.595 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.020 40.619 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.632 40.164 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.345 38.768 -7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.892 37.267 -8.169 1.00 0.00 H new ATOM 505 N ASP A 32 12.715 42.480 -8.115 1.00 0.00 N ATOM 506 CA ASP A 32 13.004 43.568 -9.025 1.00 0.00 C ATOM 507 C ASP A 32 12.847 44.972 -8.327 1.00 0.00 C ATOM 508 O ASP A 32 13.572 45.916 -8.586 1.00 0.00 O ATOM 509 CB ASP A 32 11.980 43.550 -10.182 1.00 0.00 C ATOM 510 CG ASP A 32 12.510 42.834 -11.458 1.00 0.00 C ATOM 511 OD1 ASP A 32 13.639 42.336 -11.463 1.00 0.00 O ATOM 512 OD2 ASP A 32 11.679 42.718 -12.387 1.00 0.00 O ATOM 0 H ASP A 32 11.938 41.871 -8.371 1.00 0.00 H new ATOM 0 HA ASP A 32 14.029 43.432 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.070 43.053 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.709 44.575 -10.435 1.00 0.00 H new ATOM 517 N LYS A 33 11.754 45.085 -7.568 1.00 0.00 N ATOM 518 CA LYS A 33 11.304 46.383 -6.955 1.00 0.00 C ATOM 519 C LYS A 33 11.962 46.819 -5.693 1.00 0.00 C ATOM 520 O LYS A 33 12.029 48.051 -5.544 1.00 0.00 O ATOM 521 CB LYS A 33 9.770 46.305 -6.690 1.00 0.00 C ATOM 522 CG LYS A 33 9.128 47.710 -6.294 1.00 0.00 C ATOM 523 CD LYS A 33 9.146 48.574 -7.570 1.00 0.00 C ATOM 524 CE LYS A 33 8.599 49.970 -7.245 1.00 0.00 C ATOM 525 NZ LYS A 33 8.455 50.763 -8.488 1.00 0.00 N ATOM 0 H LYS A 33 11.144 44.297 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 33 11.597 47.131 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.273 45.924 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.582 45.589 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.110 47.582 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.697 48.185 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.162 48.650 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.543 48.106 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.634 49.884 -6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.270 50.480 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.084 51.707 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.383 50.859 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.797 50.281 -9.133 1.00 0.00 H new ATOM 539 N GLU A 34 12.363 45.959 -4.765 1.00 0.00 N ATOM 540 CA GLU A 34 13.011 46.375 -3.446 1.00 0.00 C ATOM 541 C GLU A 34 14.348 45.632 -3.246 1.00 0.00 C ATOM 542 O GLU A 34 15.085 45.908 -2.287 1.00 0.00 O ATOM 543 CB GLU A 34 12.056 46.122 -2.248 1.00 0.00 C ATOM 544 CG GLU A 34 11.037 47.257 -1.910 1.00 0.00 C ATOM 545 CD GLU A 34 11.775 48.505 -1.387 1.00 0.00 C ATOM 546 OE1 GLU A 34 11.667 49.513 -2.053 1.00 0.00 O ATOM 547 OE2 GLU A 34 12.354 48.380 -0.291 1.00 0.00 O ATOM 0 H GLU A 34 12.266 44.949 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 34 13.212 47.445 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.495 45.209 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.663 45.935 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.461 47.514 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.327 46.906 -1.161 1.00 0.00 H new ATOM 554 N GLY A 35 14.682 44.701 -4.176 1.00 0.00 N ATOM 555 CA GLY A 35 15.965 43.958 -4.170 1.00 0.00 C ATOM 556 C GLY A 35 15.968 42.743 -3.297 1.00 0.00 C ATOM 557 O GLY A 35 17.025 42.132 -3.082 1.00 0.00 O ATOM 0 H GLY A 35 14.069 44.446 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.203 43.658 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.759 44.629 -3.842 1.00 0.00 H new ATOM 561 N ILE A 36 14.786 42.342 -2.760 1.00 0.00 N ATOM 562 CA ILE A 36 14.773 41.307 -1.803 1.00 0.00 C ATOM 563 C ILE A 36 14.772 39.950 -2.543 1.00 0.00 C ATOM 564 O ILE A 36 13.927 39.634 -3.361 1.00 0.00 O ATOM 565 CB ILE A 36 13.540 41.439 -0.849 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.590 42.771 0.051 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.452 40.208 0.143 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.118 43.134 0.534 1.00 0.00 C ATOM 0 H ILE A 36 13.874 42.734 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 36 15.663 41.375 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 36 12.671 41.477 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.240 42.618 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.011 43.596 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.586 40.327 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.352 39.286 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.357 40.163 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.148 44.036 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.482 43.304 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.715 42.310 1.123 1.00 0.00 H new ATOM 580 N PRO A 37 15.648 39.082 -2.273 1.00 0.00 N ATOM 581 CA PRO A 37 15.586 37.699 -2.902 1.00 0.00 C ATOM 582 C PRO A 37 14.269 36.893 -2.758 1.00 0.00 C ATOM 583 O PRO A 37 13.742 36.979 -1.674 1.00 0.00 O ATOM 584 CB PRO A 37 16.699 36.981 -2.119 1.00 0.00 C ATOM 585 CG PRO A 37 17.721 38.015 -1.831 1.00 0.00 C ATOM 586 CD PRO A 37 16.871 39.227 -1.483 1.00 0.00 C ATOM 0 HA PRO A 37 15.677 37.781 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.311 36.547 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.123 36.164 -2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.371 37.725 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.363 38.203 -2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.649 39.258 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.389 40.154 -1.728 1.00 0.00 H new ATOM 594 N PRO A 38 13.786 36.114 -3.773 1.00 0.00 N ATOM 595 CA PRO A 38 12.464 35.356 -3.687 1.00 0.00 C ATOM 596 C PRO A 38 12.511 34.286 -2.623 1.00 0.00 C ATOM 597 O PRO A 38 11.490 33.885 -2.054 1.00 0.00 O ATOM 598 CB PRO A 38 12.279 34.809 -5.121 1.00 0.00 C ATOM 599 CG PRO A 38 13.701 34.846 -5.729 1.00 0.00 C ATOM 600 CD PRO A 38 14.239 36.155 -5.151 1.00 0.00 C ATOM 0 HA PRO A 38 11.618 35.972 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.876 33.796 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.585 35.423 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.300 33.987 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.682 34.855 -6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.326 36.209 -5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.844 37.022 -5.680 1.00 0.00 H new ATOM 608 N ASP A 39 13.712 33.775 -2.348 1.00 0.00 N ATOM 609 CA ASP A 39 13.848 32.678 -1.434 1.00 0.00 C ATOM 610 C ASP A 39 13.927 33.120 0.020 1.00 0.00 C ATOM 611 O ASP A 39 13.537 32.350 0.890 1.00 0.00 O ATOM 612 CB ASP A 39 15.154 31.892 -1.787 1.00 0.00 C ATOM 613 CG ASP A 39 15.256 31.448 -3.246 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.205 31.152 -3.810 1.00 0.00 O ATOM 615 OD2 ASP A 39 16.410 31.386 -3.719 1.00 0.00 O ATOM 0 H ASP A 39 14.588 34.111 -2.749 1.00 0.00 H new ATOM 0 HA ASP A 39 12.958 32.057 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.014 32.518 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.216 31.011 -1.148 1.00 0.00 H new ATOM 620 N GLN A 40 14.320 34.388 0.234 1.00 0.00 N ATOM 621 CA GLN A 40 14.555 34.972 1.566 1.00 0.00 C ATOM 622 C GLN A 40 13.266 35.631 2.132 1.00 0.00 C ATOM 623 O GLN A 40 13.285 36.267 3.173 1.00 0.00 O ATOM 624 CB GLN A 40 15.742 35.996 1.559 1.00 0.00 C ATOM 625 CG GLN A 40 17.206 35.351 1.412 1.00 0.00 C ATOM 626 CD GLN A 40 17.480 34.430 2.597 1.00 0.00 C ATOM 627 OE1 GLN A 40 18.061 33.320 2.434 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.219 34.875 3.771 1.00 0.00 N ATOM 0 H GLN A 40 14.486 35.047 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 40 14.835 34.149 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.589 36.699 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.708 36.572 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.276 34.791 0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.959 36.138 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.749 35.773 3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.481 34.331 4.593 1.00 0.00 H new ATOM 637 N GLN A 41 12.130 35.523 1.474 1.00 0.00 N ATOM 638 CA GLN A 41 10.905 36.252 1.931 1.00 0.00 C ATOM 639 C GLN A 41 9.737 35.290 1.918 1.00 0.00 C ATOM 640 O GLN A 41 9.753 34.364 1.148 1.00 0.00 O ATOM 641 CB GLN A 41 10.612 37.467 1.008 1.00 0.00 C ATOM 642 CG GLN A 41 9.860 37.148 -0.312 1.00 0.00 C ATOM 643 CD GLN A 41 9.848 38.367 -1.291 1.00 0.00 C ATOM 644 OE1 GLN A 41 8.830 39.065 -1.418 1.00 0.00 O ATOM 645 NE2 GLN A 41 10.964 38.530 -2.006 1.00 0.00 N ATOM 0 H GLN A 41 12.002 34.957 0.635 1.00 0.00 H new ATOM 0 HA GLN A 41 11.063 36.631 2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.026 38.194 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.559 37.946 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.332 36.296 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.835 36.857 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.765 37.918 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.016 39.266 -2.710 1.00 0.00 H new ATOM 654 N ARG A 42 8.727 35.663 2.712 1.00 0.00 N ATOM 655 CA ARG A 42 7.397 34.992 2.698 1.00 0.00 C ATOM 656 C ARG A 42 6.272 36.086 2.638 1.00 0.00 C ATOM 657 O ARG A 42 6.452 37.199 3.124 1.00 0.00 O ATOM 658 CB ARG A 42 7.161 34.045 3.933 1.00 0.00 C ATOM 659 CG ARG A 42 8.281 33.033 4.292 1.00 0.00 C ATOM 660 CD ARG A 42 8.502 31.956 3.194 1.00 0.00 C ATOM 661 NE ARG A 42 9.595 31.089 3.734 1.00 0.00 N ATOM 662 CZ ARG A 42 10.877 31.410 3.616 1.00 0.00 C ATOM 663 NH1 ARG A 42 11.331 32.514 3.054 1.00 0.00 N ATOM 664 NH2 ARG A 42 11.795 30.764 4.308 1.00 0.00 N ATOM 0 H ARG A 42 8.794 36.430 3.381 1.00 0.00 H new ATOM 0 HA ARG A 42 7.366 34.354 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.983 34.672 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.245 33.482 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.213 33.574 4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.030 32.540 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.593 31.382 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.788 32.410 2.245 1.00 0.00 H new ATOM 0 HE ARG A 42 9.346 30.221 4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.678 33.197 2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.335 32.685 3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.522 30.011 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.778 31.017 4.211 1.00 0.00 H new ATOM 678 N LEU A 43 5.124 35.851 1.979 1.00 0.00 N ATOM 679 CA LEU A 43 3.997 36.793 1.995 1.00 0.00 C ATOM 680 C LEU A 43 2.845 36.230 2.818 1.00 0.00 C ATOM 681 O LEU A 43 2.576 35.048 2.815 1.00 0.00 O ATOM 682 CB LEU A 43 3.534 37.032 0.530 1.00 0.00 C ATOM 683 CG LEU A 43 4.608 37.736 -0.325 1.00 0.00 C ATOM 684 CD1 LEU A 43 3.906 38.231 -1.581 1.00 0.00 C ATOM 685 CD2 LEU A 43 5.202 38.984 0.412 1.00 0.00 C ATOM 0 H LEU A 43 4.954 35.011 1.426 1.00 0.00 H new ATOM 0 HA LEU A 43 4.311 37.733 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.280 36.076 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.626 37.634 0.534 1.00 0.00 H new ATOM 0 HG LEU A 43 5.421 37.041 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.625 38.739 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.477 37.384 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.112 38.925 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.955 39.455 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.405 39.698 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.660 38.669 1.350 1.00 0.00 H new ATOM 697 N ILE A 44 2.268 37.128 3.613 1.00 0.00 N ATOM 698 CA ILE A 44 1.324 36.880 4.648 1.00 0.00 C ATOM 699 C ILE A 44 0.103 37.698 4.233 1.00 0.00 C ATOM 700 O ILE A 44 0.256 38.691 3.471 1.00 0.00 O ATOM 701 CB ILE A 44 1.914 37.529 5.963 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.425 37.232 6.278 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.102 37.085 7.192 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.691 35.722 6.485 1.00 0.00 C ATOM 0 H ILE A 44 2.480 38.122 3.525 1.00 0.00 H new ATOM 0 HA ILE A 44 1.101 35.825 4.806 1.00 0.00 H new ATOM 0 HB ILE A 44 1.841 38.598 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.044 37.600 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.722 37.778 7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.521 37.541 8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.065 37.400 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.144 36.000 7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.748 35.565 6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.093 35.358 7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.420 35.177 5.581 1.00 0.00 H new ATOM 716 N PHE A 45 -1.065 37.198 4.642 1.00 0.00 N ATOM 717 CA PHE A 45 -2.354 37.819 4.454 1.00 0.00 C ATOM 718 C PHE A 45 -3.116 37.530 5.775 1.00 0.00 C ATOM 719 O PHE A 45 -3.106 36.401 6.295 1.00 0.00 O ATOM 720 CB PHE A 45 -3.047 37.163 3.265 1.00 0.00 C ATOM 721 CG PHE A 45 -4.406 37.846 3.056 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.394 39.118 2.527 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.643 37.161 3.261 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.641 39.704 2.163 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.868 37.776 2.977 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.855 39.024 2.392 1.00 0.00 C ATOM 0 H PHE A 45 -1.128 36.307 5.135 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.301 38.888 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.433 37.258 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.183 36.097 3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.467 39.655 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.633 36.150 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.656 40.682 1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.801 37.284 3.211 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.787 39.487 2.105 1.00 0.00 H new ATOM 736 N ALA A 46 -3.819 38.522 6.335 1.00 0.00 N ATOM 737 CA ALA A 46 -4.685 38.295 7.502 1.00 0.00 C ATOM 738 C ALA A 46 -3.970 37.663 8.728 1.00 0.00 C ATOM 739 O ALA A 46 -4.662 37.151 9.614 1.00 0.00 O ATOM 740 CB ALA A 46 -5.949 37.538 7.074 1.00 0.00 C ATOM 0 H ALA A 46 -3.807 39.486 6.002 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.981 39.276 7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.586 37.373 7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.491 38.125 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.669 36.577 6.642 1.00 0.00 H new ATOM 746 N GLY A 47 -2.628 37.611 8.804 1.00 0.00 N ATOM 747 CA GLY A 47 -1.941 36.767 9.829 1.00 0.00 C ATOM 748 C GLY A 47 -1.500 35.393 9.372 1.00 0.00 C ATOM 749 O GLY A 47 -0.818 34.738 10.167 1.00 0.00 O ATOM 0 H GLY A 47 -1.999 38.127 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.065 37.307 10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.611 36.647 10.680 1.00 0.00 H new ATOM 753 N LYS A 48 -1.830 34.997 8.132 1.00 0.00 N ATOM 754 CA LYS A 48 -1.740 33.629 7.670 1.00 0.00 C ATOM 755 C LYS A 48 -0.684 33.621 6.563 1.00 0.00 C ATOM 756 O LYS A 48 -0.626 34.570 5.792 1.00 0.00 O ATOM 757 CB LYS A 48 -3.077 33.147 6.968 1.00 0.00 C ATOM 758 CG LYS A 48 -4.287 33.383 7.893 1.00 0.00 C ATOM 759 CD LYS A 48 -5.418 32.378 7.578 1.00 0.00 C ATOM 760 CE LYS A 48 -5.933 32.556 6.099 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.189 31.812 6.050 1.00 0.00 N ATOM 0 H LYS A 48 -2.172 35.642 7.419 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.523 32.987 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.217 33.686 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.003 32.088 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.981 33.280 8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.654 34.402 7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.056 31.360 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.244 32.523 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.086 33.608 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.213 32.165 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.597 31.881 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.010 30.813 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.856 32.211 6.741 1.00 0.00 H new ATOM 775 N GLN A 49 0.112 32.548 6.372 1.00 0.00 N ATOM 776 CA GLN A 49 1.236 32.595 5.469 1.00 0.00 C ATOM 777 C GLN A 49 0.882 31.736 4.291 1.00 0.00 C ATOM 778 O GLN A 49 0.423 30.613 4.412 1.00 0.00 O ATOM 779 CB GLN A 49 2.455 32.152 6.300 1.00 0.00 C ATOM 780 CG GLN A 49 3.821 31.991 5.444 1.00 0.00 C ATOM 781 CD GLN A 49 4.963 31.542 6.399 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.327 32.333 7.284 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.770 30.484 6.158 1.00 0.00 N ATOM 0 H GLN A 49 -0.018 31.650 6.838 1.00 0.00 H new ATOM 0 HA GLN A 49 1.481 33.572 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.622 32.879 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.226 31.201 6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.684 31.258 4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.079 32.935 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.518 29.803 5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.630 30.367 6.693 1.00 0.00 H new ATOM 792 N LEU A 50 1.082 32.325 3.120 1.00 0.00 N ATOM 793 CA LEU A 50 0.668 31.752 1.873 1.00 0.00 C ATOM 794 C LEU A 50 1.806 30.948 1.133 1.00 0.00 C ATOM 795 O LEU A 50 2.993 31.289 1.127 1.00 0.00 O ATOM 796 CB LEU A 50 0.265 32.909 0.915 1.00 0.00 C ATOM 797 CG LEU A 50 -0.838 33.886 1.437 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.818 35.174 0.557 1.00 0.00 C ATOM 799 CD2 LEU A 50 -2.200 33.171 1.428 1.00 0.00 C ATOM 0 H LEU A 50 1.545 33.229 3.022 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.146 31.065 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.158 33.491 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.080 32.473 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.648 34.187 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.583 35.867 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.161 35.648 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.018 34.909 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.970 33.851 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.441 32.860 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.155 32.295 2.074 1.00 0.00 H new ATOM 811 N GLU A 51 1.409 29.802 0.552 1.00 0.00 N ATOM 812 CA GLU A 51 2.291 28.929 -0.208 1.00 0.00 C ATOM 813 C GLU A 51 2.685 29.510 -1.579 1.00 0.00 C ATOM 814 O GLU A 51 1.849 29.930 -2.377 1.00 0.00 O ATOM 815 CB GLU A 51 1.702 27.521 -0.400 1.00 0.00 C ATOM 816 CG GLU A 51 1.662 26.707 0.992 1.00 0.00 C ATOM 817 CD GLU A 51 1.457 25.209 0.705 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.370 24.462 1.085 1.00 0.00 O ATOM 819 OE2 GLU A 51 0.575 24.899 -0.068 1.00 0.00 O ATOM 0 H GLU A 51 0.449 29.460 0.604 1.00 0.00 H new ATOM 0 HA GLU A 51 3.194 28.853 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.694 27.599 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.298 26.971 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.591 26.859 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.855 27.081 1.621 1.00 0.00 H new ATOM 826 N ASP A 52 4.001 29.482 -1.728 1.00 0.00 N ATOM 827 CA ASP A 52 4.716 30.118 -2.871 1.00 0.00 C ATOM 828 C ASP A 52 4.290 29.756 -4.323 1.00 0.00 C ATOM 829 O ASP A 52 4.183 30.713 -5.123 1.00 0.00 O ATOM 830 CB ASP A 52 6.281 29.977 -2.621 1.00 0.00 C ATOM 831 CG ASP A 52 6.726 30.369 -1.174 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.334 29.730 -0.198 1.00 0.00 O ATOM 833 OD2 ASP A 52 7.444 31.390 -1.071 1.00 0.00 O ATOM 0 H ASP A 52 4.624 29.020 -1.066 1.00 0.00 H new ATOM 0 HA ASP A 52 4.395 31.160 -2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.580 28.947 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.812 30.604 -3.337 1.00 0.00 H new ATOM 838 N GLY A 53 4.086 28.462 -4.676 1.00 0.00 N ATOM 839 CA GLY A 53 3.793 28.037 -6.066 1.00 0.00 C ATOM 840 C GLY A 53 2.323 28.040 -6.425 1.00 0.00 C ATOM 841 O GLY A 53 2.011 27.739 -7.574 1.00 0.00 O ATOM 0 H GLY A 53 4.120 27.690 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.324 28.696 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.189 27.033 -6.217 1.00 0.00 H new ATOM 845 N ARG A 54 1.432 28.380 -5.474 1.00 0.00 N ATOM 846 CA ARG A 54 -0.031 28.421 -5.761 1.00 0.00 C ATOM 847 C ARG A 54 -0.400 29.812 -6.280 1.00 0.00 C ATOM 848 O ARG A 54 0.464 30.704 -6.358 1.00 0.00 O ATOM 849 CB ARG A 54 -0.968 28.176 -4.510 1.00 0.00 C ATOM 850 CG ARG A 54 -0.529 26.867 -3.796 1.00 0.00 C ATOM 851 CD ARG A 54 -1.572 26.355 -2.752 1.00 0.00 C ATOM 852 NE ARG A 54 -1.042 25.077 -2.231 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.317 23.867 -2.796 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.072 23.803 -3.874 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.644 22.895 -2.418 1.00 0.00 N ATOM 0 H ARG A 54 1.683 28.627 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.195 27.614 -6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.905 29.019 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.008 28.101 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.362 26.091 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.424 27.036 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.704 27.078 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.548 26.211 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.440 25.102 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.449 24.657 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.279 22.899 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.081 23.020 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.816 21.971 -2.814 1.00 0.00 H new ATOM 869 N THR A 55 -1.704 30.062 -6.603 1.00 0.00 N ATOM 870 CA THR A 55 -2.005 31.328 -7.269 1.00 0.00 C ATOM 871 C THR A 55 -2.824 32.151 -6.373 1.00 0.00 C ATOM 872 O THR A 55 -3.380 31.669 -5.386 1.00 0.00 O ATOM 873 CB THR A 55 -2.794 31.275 -8.604 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.001 30.565 -8.403 1.00 0.00 O ATOM 875 CG2 THR A 55 -1.972 30.614 -9.707 1.00 0.00 C ATOM 0 H THR A 55 -2.496 29.445 -6.423 1.00 0.00 H new ATOM 0 HA THR A 55 -1.015 31.718 -7.506 1.00 0.00 H new ATOM 0 HB THR A 55 -3.013 32.295 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.504 30.530 -9.243 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.552 30.592 -10.630 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.056 31.182 -9.868 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.720 29.595 -9.412 1.00 0.00 H new ATOM 883 N LEU A 56 -2.814 33.474 -6.723 1.00 0.00 N ATOM 884 CA LEU A 56 -3.588 34.521 -6.057 1.00 0.00 C ATOM 885 C LEU A 56 -5.073 34.217 -6.191 1.00 0.00 C ATOM 886 O LEU A 56 -5.808 34.460 -5.243 1.00 0.00 O ATOM 887 CB LEU A 56 -3.327 35.994 -6.573 1.00 0.00 C ATOM 888 CG LEU A 56 -1.913 36.563 -6.332 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.772 37.955 -6.995 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.553 36.690 -4.763 1.00 0.00 C ATOM 0 H LEU A 56 -2.249 33.829 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.252 34.503 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.529 36.022 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.048 36.657 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.215 35.857 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.769 38.343 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.941 37.866 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.507 38.638 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.547 37.095 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.268 37.355 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.601 35.705 -4.298 1.00 0.00 H new ATOM 902 N SER A 57 -5.454 33.674 -7.350 1.00 0.00 N ATOM 903 CA SER A 57 -6.849 33.167 -7.552 1.00 0.00 C ATOM 904 C SER A 57 -7.134 32.071 -6.547 1.00 0.00 C ATOM 905 O SER A 57 -8.265 32.005 -5.974 1.00 0.00 O ATOM 906 CB SER A 57 -7.137 32.707 -9.032 1.00 0.00 C ATOM 907 OG SER A 57 -8.543 32.347 -9.231 1.00 0.00 O ATOM 0 H SER A 57 -4.843 33.567 -8.160 1.00 0.00 H new ATOM 0 HA SER A 57 -7.535 33.996 -7.380 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.867 33.508 -9.720 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.506 31.852 -9.275 1.00 0.00 H new ATOM 0 HG SER A 57 -8.681 32.069 -10.161 1.00 0.00 H new ATOM 913 N ASP A 58 -6.222 31.118 -6.278 1.00 0.00 N ATOM 914 CA ASP A 58 -6.516 30.072 -5.303 1.00 0.00 C ATOM 915 C ASP A 58 -6.696 30.610 -3.850 1.00 0.00 C ATOM 916 O ASP A 58 -7.405 30.027 -3.058 1.00 0.00 O ATOM 917 CB ASP A 58 -5.358 29.108 -5.182 1.00 0.00 C ATOM 918 CG ASP A 58 -5.099 28.391 -6.526 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.025 28.037 -7.262 1.00 0.00 O ATOM 920 OD2 ASP A 58 -3.936 28.169 -6.805 1.00 0.00 O ATOM 0 H ASP A 58 -5.301 31.057 -6.713 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.434 29.616 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.462 29.646 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.571 28.372 -4.407 1.00 0.00 H new ATOM 925 N TYR A 59 -5.936 31.613 -3.406 1.00 0.00 N ATOM 926 CA TYR A 59 -6.083 32.193 -2.044 1.00 0.00 C ATOM 927 C TYR A 59 -7.080 33.408 -2.080 1.00 0.00 C ATOM 928 O TYR A 59 -7.237 34.173 -1.126 1.00 0.00 O ATOM 929 CB TYR A 59 -4.711 32.667 -1.547 1.00 0.00 C ATOM 930 CG TYR A 59 -3.871 31.503 -1.118 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.682 31.143 -1.825 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.272 30.780 0.015 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.827 30.204 -1.247 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.419 29.791 0.556 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.198 29.481 -0.099 1.00 0.00 C ATOM 936 OH TYR A 59 -1.301 28.599 0.507 1.00 0.00 O ATOM 0 H TYR A 59 -5.204 32.052 -3.965 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.477 31.433 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.202 33.217 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.839 33.356 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.451 31.587 -2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.230 30.978 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.858 30.028 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.695 29.274 1.463 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.725 28.187 1.288 1.00 0.00 H new ATOM 946 N ASN A 60 -7.725 33.576 -3.249 1.00 0.00 N ATOM 947 CA ASN A 60 -8.899 34.489 -3.452 1.00 0.00 C ATOM 948 C ASN A 60 -8.498 35.922 -3.238 1.00 0.00 C ATOM 949 O ASN A 60 -9.310 36.764 -2.865 1.00 0.00 O ATOM 950 CB ASN A 60 -10.149 34.030 -2.568 1.00 0.00 C ATOM 951 CG ASN A 60 -10.702 32.652 -2.996 1.00 0.00 C ATOM 952 OD1 ASN A 60 -10.781 32.373 -4.210 1.00 0.00 O ATOM 953 ND2 ASN A 60 -10.946 31.738 -2.051 1.00 0.00 N ATOM 0 H ASN A 60 -7.453 33.082 -4.099 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.232 34.417 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.853 33.990 -1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.940 34.776 -2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.204 30.787 -2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.875 31.992 -1.066 1.00 0.00 H new ATOM 960 N ILE A 61 -7.227 36.272 -3.583 1.00 0.00 N ATOM 961 CA ILE A 61 -6.699 37.642 -3.425 1.00 0.00 C ATOM 962 C ILE A 61 -7.232 38.553 -4.537 1.00 0.00 C ATOM 963 O ILE A 61 -7.022 38.369 -5.744 1.00 0.00 O ATOM 964 CB ILE A 61 -5.139 37.623 -3.335 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.626 36.925 -2.021 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.514 39.054 -3.515 1.00 0.00 C ATOM 967 CD1 ILE A 61 -5.309 37.471 -0.742 1.00 0.00 C ATOM 0 H ILE A 61 -6.552 35.614 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.055 38.062 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.792 37.018 -4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.804 35.852 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.548 37.064 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.428 38.988 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.791 39.452 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.889 39.716 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.914 36.951 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.109 38.539 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.385 37.308 -0.806 1.00 0.00 H new ATOM 979 N GLN A 62 -8.051 39.560 -4.171 1.00 0.00 N ATOM 980 CA GLN A 62 -8.700 40.449 -5.134 1.00 0.00 C ATOM 981 C GLN A 62 -7.960 41.818 -5.184 1.00 0.00 C ATOM 982 O GLN A 62 -7.247 42.175 -4.241 1.00 0.00 O ATOM 983 CB GLN A 62 -10.244 40.709 -4.760 1.00 0.00 C ATOM 984 CG GLN A 62 -11.139 39.562 -4.120 1.00 0.00 C ATOM 985 CD GLN A 62 -11.528 38.433 -5.042 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.726 38.336 -5.428 1.00 0.00 O ATOM 987 NE2 GLN A 62 -10.639 37.539 -5.370 1.00 0.00 N ATOM 0 H GLN A 62 -8.276 39.773 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.655 39.959 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.267 41.553 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.743 41.030 -5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.602 39.141 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.050 40.015 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.676 37.635 -5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.906 36.743 -5.949 1.00 0.00 H new ATOM 996 N LYS A 63 -8.179 42.636 -6.299 1.00 0.00 N ATOM 997 CA LYS A 63 -7.864 44.049 -6.418 1.00 0.00 C ATOM 998 C LYS A 63 -7.820 44.812 -5.113 1.00 0.00 C ATOM 999 O LYS A 63 -8.764 44.839 -4.354 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.916 44.624 -7.420 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.182 46.173 -7.329 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.148 46.617 -8.476 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.503 45.880 -8.646 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.328 45.970 -7.414 1.00 0.00 N ATOM 0 H LYS A 63 -8.600 42.267 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.842 44.168 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.589 44.391 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.861 44.103 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.617 46.420 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.241 46.717 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.365 47.675 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.605 46.528 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.050 46.311 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.321 44.833 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.227 45.468 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.815 45.537 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.521 46.969 -7.198 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.683 45.479 -4.882 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.423 46.446 -3.786 1.00 0.00 C ATOM 1020 C GLU A 64 -6.271 45.768 -2.410 1.00 0.00 C ATOM 1021 O GLU A 64 -6.505 46.367 -1.359 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.290 47.758 -3.782 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.969 48.699 -4.995 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.015 49.799 -5.278 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.968 49.953 -4.545 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -7.860 50.410 -6.341 1.00 0.00 O ATOM 0 H GLU A 64 -5.868 45.358 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.440 46.848 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.346 47.491 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.118 48.300 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.005 49.176 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.861 48.086 -5.890 1.00 0.00 H new ATOM 1033 N SER A 65 -5.938 44.469 -2.400 1.00 0.00 N ATOM 1034 CA SER A 65 -5.617 43.716 -1.133 1.00 0.00 C ATOM 1035 C SER A 65 -4.292 44.132 -0.662 1.00 0.00 C ATOM 1036 O SER A 65 -3.453 44.387 -1.503 1.00 0.00 O ATOM 1037 CB SER A 65 -5.539 42.165 -1.342 1.00 0.00 C ATOM 1038 OG SER A 65 -6.871 41.781 -1.568 1.00 0.00 O ATOM 0 H SER A 65 -5.878 43.900 -3.244 1.00 0.00 H new ATOM 0 HA SER A 65 -6.418 43.940 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.901 41.909 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.123 41.665 -0.467 1.00 0.00 H new ATOM 0 HG SER A 65 -7.064 41.820 -2.528 1.00 0.00 H new ATOM 1044 N THR A 66 -4.123 44.115 0.670 1.00 0.00 N ATOM 1045 CA THR A 66 -2.825 44.354 1.301 1.00 0.00 C ATOM 1046 C THR A 66 -2.280 42.998 1.722 1.00 0.00 C ATOM 1047 O THR A 66 -2.844 42.334 2.566 1.00 0.00 O ATOM 1048 CB THR A 66 -2.863 45.244 2.580 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.508 46.422 2.225 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.436 45.512 3.193 1.00 0.00 C ATOM 0 H THR A 66 -4.879 43.936 1.331 1.00 0.00 H new ATOM 0 HA THR A 66 -2.217 44.886 0.569 1.00 0.00 H new ATOM 0 HB THR A 66 -3.401 44.727 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.557 47.015 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.533 46.137 4.081 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.973 44.564 3.466 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.813 46.021 2.457 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.134 42.627 1.165 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.331 41.437 1.602 1.00 0.00 C ATOM 1060 C LEU A 67 0.895 42.026 2.375 1.00 0.00 C ATOM 1061 O LEU A 67 1.158 43.224 2.285 1.00 0.00 O ATOM 1062 CB LEU A 67 0.214 40.572 0.416 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.832 40.194 -0.672 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -0.093 39.543 -1.880 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -1.956 39.242 -0.155 1.00 0.00 C ATOM 0 H LEU A 67 -0.711 43.133 0.387 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.967 40.779 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.030 41.115 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.637 39.654 0.823 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.332 41.115 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.818 39.274 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.626 40.251 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.431 38.647 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.648 39.022 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.510 38.314 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.495 39.725 0.660 1.00 0.00 H new ATOM 1077 N HIS A 68 1.572 41.182 3.168 1.00 0.00 N ATOM 1078 CA HIS A 68 2.687 41.649 3.975 1.00 0.00 C ATOM 1079 C HIS A 68 3.848 40.683 3.830 1.00 0.00 C ATOM 1080 O HIS A 68 3.631 39.529 3.522 1.00 0.00 O ATOM 1081 CB HIS A 68 2.340 41.808 5.489 1.00 0.00 C ATOM 1082 CG HIS A 68 1.134 42.636 5.911 1.00 0.00 C ATOM 1083 ND1 HIS A 68 1.325 43.720 6.786 1.00 0.00 N ATOM 1084 CD2 HIS A 68 -0.233 42.648 5.660 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.131 44.310 7.012 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.848 43.695 6.369 1.00 0.00 N ATOM 0 H HIS A 68 1.364 40.188 3.261 1.00 0.00 H new ATOM 0 HA HIS A 68 2.947 42.641 3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.204 40.807 5.897 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.215 42.236 5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.749 41.953 5.014 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.007 45.177 7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.840 43.931 6.384 1.00 0.00 H new ATOM 1094 N LEU A 69 5.058 41.246 4.075 1.00 0.00 N ATOM 1095 CA LEU A 69 6.304 40.565 3.813 1.00 0.00 C ATOM 1096 C LEU A 69 6.846 40.017 5.155 1.00 0.00 C ATOM 1097 O LEU A 69 6.738 40.653 6.209 1.00 0.00 O ATOM 1098 CB LEU A 69 7.280 41.626 3.134 1.00 0.00 C ATOM 1099 CG LEU A 69 8.413 40.971 2.321 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.709 41.699 0.972 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.711 40.960 3.120 1.00 0.00 C ATOM 0 H LEU A 69 5.173 42.184 4.459 1.00 0.00 H new ATOM 0 HA LEU A 69 6.196 39.716 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.700 42.277 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.715 42.258 3.908 1.00 0.00 H new ATOM 0 HG LEU A 69 8.064 39.961 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.517 41.185 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.814 41.691 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.003 42.729 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.499 40.493 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.998 41.983 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.566 40.395 4.041 1.00 0.00 H new ATOM 1113 N VAL A 70 7.515 38.878 5.101 1.00 0.00 N ATOM 1114 CA VAL A 70 8.330 38.355 6.222 1.00 0.00 C ATOM 1115 C VAL A 70 9.704 37.870 5.707 1.00 0.00 C ATOM 1116 O VAL A 70 9.721 37.400 4.605 1.00 0.00 O ATOM 1117 CB VAL A 70 7.518 37.223 6.822 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.401 36.085 7.434 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.613 37.891 7.926 1.00 0.00 C ATOM 0 H VAL A 70 7.518 38.274 4.279 1.00 0.00 H new ATOM 0 HA VAL A 70 8.542 39.118 6.971 1.00 0.00 H new ATOM 0 HB VAL A 70 6.933 36.729 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.758 35.307 7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.035 35.658 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.026 36.496 8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.997 37.128 8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.245 38.367 8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.970 38.640 7.465 1.00 0.00 H new ATOM 1129 N LEU A 71 10.815 38.019 6.465 1.00 0.00 N ATOM 1130 CA LEU A 71 12.137 37.705 5.948 1.00 0.00 C ATOM 1131 C LEU A 71 12.683 36.508 6.713 1.00 0.00 C ATOM 1132 O LEU A 71 12.680 36.418 7.965 1.00 0.00 O ATOM 1133 CB LEU A 71 13.084 38.943 6.109 1.00 0.00 C ATOM 1134 CG LEU A 71 12.751 40.221 5.306 1.00 0.00 C ATOM 1135 CD1 LEU A 71 13.318 41.389 6.134 1.00 0.00 C ATOM 1136 CD2 LEU A 71 13.441 40.275 3.942 1.00 0.00 C ATOM 0 H LEU A 71 10.807 38.353 7.429 1.00 0.00 H new ATOM 0 HA LEU A 71 12.078 37.463 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.108 39.210 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 71 14.092 38.630 5.836 1.00 0.00 H new ATOM 0 HG LEU A 71 11.675 40.255 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.117 42.330 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.845 41.402 7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.394 41.263 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.165 41.197 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.522 40.246 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.129 39.420 3.342 1.00 0.00 H new ATOM 1148 N ARG A 72 13.015 35.445 5.933 1.00 0.00 N ATOM 1149 CA ARG A 72 13.355 34.160 6.521 1.00 0.00 C ATOM 1150 C ARG A 72 14.264 33.333 5.549 1.00 0.00 C ATOM 1151 O ARG A 72 14.224 33.444 4.337 1.00 0.00 O ATOM 1152 CB ARG A 72 12.118 33.323 6.850 1.00 0.00 C ATOM 1153 CG ARG A 72 11.188 33.767 8.046 1.00 0.00 C ATOM 1154 CD ARG A 72 11.880 33.609 9.413 1.00 0.00 C ATOM 1155 NE ARG A 72 10.859 34.016 10.442 1.00 0.00 N ATOM 1156 CZ ARG A 72 10.512 35.294 10.834 1.00 0.00 C ATOM 1157 NH1 ARG A 72 11.089 36.349 10.437 1.00 0.00 N ATOM 1158 NH2 ARG A 72 9.667 35.378 11.853 1.00 0.00 N ATOM 0 H ARG A 72 13.049 35.469 4.914 1.00 0.00 H new ATOM 0 HA ARG A 72 13.885 34.379 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.501 33.281 5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.454 32.306 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.894 34.807 7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.274 33.173 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.204 32.580 9.570 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.769 34.236 9.476 1.00 0.00 H new ATOM 0 HE ARG A 72 10.363 33.255 10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.868 36.288 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.774 37.259 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.316 34.529 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.369 36.292 12.194 1.00 0.00 H new ATOM 1172 N LEU A 73 14.990 32.406 6.130 1.00 0.00 N ATOM 1173 CA LEU A 73 16.048 31.646 5.377 1.00 0.00 C ATOM 1174 C LEU A 73 15.560 30.972 4.045 1.00 0.00 C ATOM 1175 O LEU A 73 14.384 30.537 3.910 1.00 0.00 O ATOM 1176 CB LEU A 73 16.751 30.701 6.416 1.00 0.00 C ATOM 1177 CG LEU A 73 17.989 29.887 5.874 1.00 0.00 C ATOM 1178 CD1 LEU A 73 19.182 30.811 5.569 1.00 0.00 C ATOM 1179 CD2 LEU A 73 18.498 28.823 6.947 1.00 0.00 C ATOM 0 H LEU A 73 14.895 32.138 7.109 1.00 0.00 H new ATOM 0 HA LEU A 73 16.788 32.333 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.079 31.303 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.012 29.994 6.794 1.00 0.00 H new ATOM 0 HG LEU A 73 17.646 29.389 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.017 30.217 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.893 31.542 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.482 31.330 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.352 28.279 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.796 29.340 7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.695 28.122 7.173 1.00 0.00 H new ATOM 1191 N ARG A 74 16.535 30.945 3.065 1.00 0.00 N ATOM 1192 CA ARG A 74 16.484 30.124 1.892 1.00 0.00 C ATOM 1193 C ARG A 74 16.193 28.615 2.149 1.00 0.00 C ATOM 1194 O ARG A 74 16.334 28.046 3.236 1.00 0.00 O ATOM 1195 CB ARG A 74 17.761 30.275 1.032 1.00 0.00 C ATOM 1196 CG ARG A 74 19.112 30.318 1.809 1.00 0.00 C ATOM 1197 CD ARG A 74 19.530 28.941 2.368 1.00 0.00 C ATOM 1198 NE ARG A 74 20.911 29.166 2.913 1.00 0.00 N ATOM 1199 CZ ARG A 74 21.642 28.252 3.519 1.00 0.00 C ATOM 1200 NH1 ARG A 74 21.209 27.039 3.847 1.00 0.00 N ATOM 1201 NH2 ARG A 74 22.831 28.606 3.931 1.00 0.00 N ATOM 0 H ARG A 74 17.375 31.521 3.113 1.00 0.00 H new ATOM 0 HA ARG A 74 15.622 30.505 1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 74 17.798 29.446 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 74 17.673 31.190 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.894 30.688 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.029 31.028 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.845 28.603 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 74 19.529 28.178 1.589 1.00 0.00 H new ATOM 0 HE ARG A 74 21.314 30.097 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.251 26.763 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 74 21.834 26.384 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.161 29.559 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 74 23.429 27.929 4.405 1.00 0.00 H new ATOM 1215 N GLY A 75 15.775 27.996 1.041 1.00 0.00 N ATOM 1216 CA GLY A 75 15.645 26.550 0.875 1.00 0.00 C ATOM 1217 C GLY A 75 16.919 26.005 0.187 1.00 0.00 C ATOM 1218 O GLY A 75 18.049 26.127 0.680 1.00 0.00 O ATOM 0 H GLY A 75 15.508 28.512 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.506 26.071 1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.765 26.318 0.276 1.00 0.00 H new ATOM 1222 N GLY A 76 16.669 25.480 -0.984 1.00 0.00 N ATOM 1223 CA GLY A 76 17.796 25.107 -1.890 1.00 0.00 C ATOM 1224 C GLY A 76 17.950 26.118 -3.032 1.00 0.00 C ATOM 1225 O GLY A 76 18.373 25.620 -4.084 1.00 0.00 O ATOM 1226 OXT GLY A 76 17.702 27.342 -2.856 1.00 0.00 O ATOM 0 H GLY A 76 15.736 25.294 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.723 25.056 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.621 24.113 -2.302 1.00 0.00 H new TER 1230 GLY A 76