USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 687 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: p 20 LYS NZ :NH3+ -109:sc= -0.129 (180deg=0) USER MOD Set 1.2: p 24 GLN : amide:sc= -0.897 X(o=-1,f=-1.3) USER MOD Set 2.1: p 2 GLN : amide:sc= 1.03 K(o=2.3,f=-7.7!) USER MOD Set 2.2: p 6 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0) USER MOD Single : p 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 1 MET N :NH3+ 179:sc= -0.172 (180deg=-0.174) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.3!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 30 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.3) USER MOD Single : p 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 34 CYS SG : rot -37:sc= 1.16 USER MOD Single : p 36 CYS SG : rot 180:sc= -1.56 USER MOD Single : p 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 41 CYS SG : rot 180:sc= 0 USER MOD Single : p 42 SER OG : rot 180:sc= 0 USER MOD Single : p 43 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.51!) USER MOD Single : p 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 48 TYR OH : rot 180:sc= 0 USER MOD Single : p 49 SER OG : rot 180:sc= 0 USER MOD Single : p 51 GLN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000217) USER MOD Single : p 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET p 1 -7.403 23.969 4.560 1.00 0.00 N ATOM 2 CA MET p 1 -6.735 23.335 3.388 1.00 0.00 C ATOM 3 C MET p 1 -5.578 22.421 3.825 1.00 0.00 C ATOM 4 O MET p 1 -4.844 21.886 2.987 1.00 0.00 O ATOM 5 CB MET p 1 -6.221 24.418 2.429 1.00 0.00 C ATOM 6 CG MET p 1 -7.324 25.121 1.646 1.00 0.00 C ATOM 7 SD MET p 1 -6.689 26.360 0.494 1.00 0.00 S ATOM 8 CE MET p 1 -6.160 25.331 -0.876 1.00 0.00 C ATOM 0 H1 MET p 1 -8.167 24.592 4.229 1.00 0.00 H new ATOM 0 H2 MET p 1 -7.800 23.230 5.175 1.00 0.00 H new ATOM 0 H3 MET p 1 -6.708 24.528 5.095 1.00 0.00 H new ATOM 0 HA MET p 1 -7.471 22.717 2.874 1.00 0.00 H new ATOM 0 HB2 MET p 1 -5.664 25.161 3.000 1.00 0.00 H new ATOM 0 HB3 MET p 1 -5.521 23.965 1.726 1.00 0.00 H new ATOM 0 HG2 MET p 1 -7.899 24.379 1.093 1.00 0.00 H new ATOM 0 HG3 MET p 1 -8.010 25.600 2.345 1.00 0.00 H new ATOM 0 HE1 MET p 1 -5.745 25.959 -1.664 1.00 0.00 H new ATOM 0 HE2 MET p 1 -5.399 24.631 -0.532 1.00 0.00 H new ATOM 0 HE3 MET p 1 -7.014 24.777 -1.266 1.00 0.00 H new ATOM 20 N GLN p 2 -5.420 22.257 5.140 1.00 0.00 N ATOM 21 CA GLN p 2 -4.384 21.424 5.717 1.00 0.00 C ATOM 22 C GLN p 2 -4.985 20.212 6.447 1.00 0.00 C ATOM 23 O GLN p 2 -4.264 19.352 6.950 1.00 0.00 O ATOM 24 CB GLN p 2 -3.594 22.279 6.700 1.00 0.00 C ATOM 25 CG GLN p 2 -2.544 23.157 6.042 1.00 0.00 C ATOM 26 CD GLN p 2 -1.614 23.807 7.048 1.00 0.00 C ATOM 27 OE1 GLN p 2 -0.577 23.249 7.402 1.00 0.00 O ATOM 28 NE2 GLN p 2 -1.985 24.995 7.515 1.00 0.00 N ATOM 0 H GLN p 2 -6.018 22.707 5.834 1.00 0.00 H new ATOM 0 HA GLN p 2 -3.740 21.043 4.925 1.00 0.00 H new ATOM 0 HB2 GLN p 2 -4.287 22.911 7.256 1.00 0.00 H new ATOM 0 HB3 GLN p 2 -3.107 21.627 7.425 1.00 0.00 H new ATOM 0 HG2 GLN p 2 -1.958 22.557 5.346 1.00 0.00 H new ATOM 0 HG3 GLN p 2 -3.039 23.932 5.456 1.00 0.00 H new ATOM 0 HE21 GLN p 2 -2.854 25.421 7.193 1.00 0.00 H new ATOM 0 HE22 GLN p 2 -1.400 25.481 8.195 1.00 0.00 H new ATOM 37 N ALA p 3 -6.310 20.158 6.478 1.00 0.00 N ATOM 38 CA ALA p 3 -7.049 19.101 7.174 1.00 0.00 C ATOM 39 C ALA p 3 -7.382 17.937 6.258 1.00 0.00 C ATOM 40 O ALA p 3 -7.346 16.783 6.666 1.00 0.00 O ATOM 41 CB ALA p 3 -8.313 19.667 7.806 1.00 0.00 C ATOM 0 H ALA p 3 -6.909 20.846 6.021 1.00 0.00 H new ATOM 0 HA ALA p 3 -6.402 18.714 7.961 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -8.851 18.870 8.319 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -8.045 20.444 8.522 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.949 20.093 7.030 1.00 0.00 H new ATOM 47 N LEU p 4 -7.770 18.294 5.043 1.00 0.00 N ATOM 48 CA LEU p 4 -8.157 17.380 3.996 1.00 0.00 C ATOM 49 C LEU p 4 -6.973 17.104 3.085 1.00 0.00 C ATOM 50 O LEU p 4 -6.514 15.974 2.951 1.00 0.00 O ATOM 51 CB LEU p 4 -9.315 18.024 3.226 1.00 0.00 C ATOM 52 CG LEU p 4 -10.208 17.098 2.412 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.533 17.788 2.199 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.564 16.763 1.077 1.00 0.00 C ATOM 0 H LEU p 4 -7.824 19.271 4.755 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.477 16.423 4.409 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.942 18.556 3.941 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.898 18.771 2.551 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.355 16.161 2.950 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -12.190 17.142 1.617 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -11.993 17.998 3.165 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -11.374 18.723 1.661 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.220 16.100 0.513 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.401 17.680 0.511 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -8.608 16.268 1.248 1.00 0.00 H new ATOM 66 N GLU p 5 -6.509 18.192 2.469 1.00 0.00 N ATOM 67 CA GLU p 5 -5.378 18.199 1.521 1.00 0.00 C ATOM 68 C GLU p 5 -4.099 17.675 2.142 1.00 0.00 C ATOM 69 O GLU p 5 -3.272 17.071 1.456 1.00 0.00 O ATOM 70 CB GLU p 5 -5.120 19.612 0.985 1.00 0.00 C ATOM 71 CG GLU p 5 -6.375 20.453 0.828 1.00 0.00 C ATOM 72 CD GLU p 5 -6.535 21.022 -0.568 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.005 22.123 -0.824 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.191 20.366 -1.405 1.00 0.00 O ATOM 0 H GLU p 5 -6.914 19.117 2.614 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.664 17.536 0.705 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.433 20.125 1.658 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.622 19.537 0.018 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.246 19.844 1.068 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.350 21.271 1.547 1.00 0.00 H new ATOM 81 N LYS p 6 -3.950 17.921 3.438 1.00 0.00 N ATOM 82 CA LYS p 6 -2.775 17.463 4.177 1.00 0.00 C ATOM 83 C LYS p 6 -3.022 16.087 4.768 1.00 0.00 C ATOM 84 O LYS p 6 -2.084 15.399 5.122 1.00 0.00 O ATOM 85 CB LYS p 6 -2.343 18.441 5.260 1.00 0.00 C ATOM 86 CG LYS p 6 -1.281 19.433 4.798 1.00 0.00 C ATOM 87 CD LYS p 6 -0.551 20.062 5.975 1.00 0.00 C ATOM 88 CE LYS p 6 0.601 20.939 5.509 1.00 0.00 C ATOM 89 NZ LYS p 6 1.396 21.468 6.651 1.00 0.00 N ATOM 0 H LYS p 6 -4.627 18.435 4.001 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.955 17.404 3.462 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.216 18.992 5.609 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.958 17.880 6.112 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.563 18.925 4.154 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.749 20.215 4.200 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.250 20.658 6.562 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.172 19.278 6.631 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.251 20.364 4.850 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.210 21.771 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.287 21.871 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.852 22.207 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.606 20.696 7.315 1.00 0.00 H new ATOM 103 N GLU p 7 -4.306 15.713 4.845 1.00 0.00 N ATOM 104 CA GLU p 7 -4.756 14.406 5.320 1.00 0.00 C ATOM 105 C GLU p 7 -4.663 13.456 4.133 1.00 0.00 C ATOM 106 O GLU p 7 -4.591 12.239 4.268 1.00 0.00 O ATOM 107 CB GLU p 7 -6.194 14.535 5.833 1.00 0.00 C ATOM 108 CG GLU p 7 -7.061 13.300 5.672 1.00 0.00 C ATOM 109 CD GLU p 7 -7.564 12.753 6.994 1.00 0.00 C ATOM 110 OE1 GLU p 7 -8.641 13.193 7.447 1.00 0.00 O ATOM 111 OE2 GLU p 7 -6.881 11.884 7.576 1.00 0.00 O ATOM 0 H GLU p 7 -5.074 16.326 4.572 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.148 14.027 6.142 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -6.161 14.799 6.890 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.673 15.364 5.312 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.913 13.541 5.037 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.490 12.526 5.159 1.00 0.00 H new ATOM 118 N LEU p 8 -4.683 14.113 2.979 1.00 0.00 N ATOM 119 CA LEU p 8 -4.559 13.542 1.668 1.00 0.00 C ATOM 120 C LEU p 8 -3.080 13.525 1.341 1.00 0.00 C ATOM 121 O LEU p 8 -2.612 12.702 0.566 1.00 0.00 O ATOM 122 CB LEU p 8 -5.344 14.416 0.670 1.00 0.00 C ATOM 123 CG LEU p 8 -4.789 14.506 -0.755 1.00 0.00 C ATOM 124 CD1 LEU p 8 -4.932 13.174 -1.446 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.484 15.609 -1.529 1.00 0.00 C ATOM 0 H LEU p 8 -4.794 15.126 2.946 1.00 0.00 H new ATOM 0 HA LEU p 8 -4.963 12.531 1.615 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.364 14.035 0.614 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.403 15.426 1.076 1.00 0.00 H new ATOM 0 HG LEU p 8 -3.729 14.755 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -4.535 13.245 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -4.379 12.416 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -5.985 12.897 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.076 15.658 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -6.553 15.401 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -5.323 16.563 -1.027 1.00 0.00 H new ATOM 137 N ALA p 9 -2.398 14.517 1.923 1.00 0.00 N ATOM 138 CA ALA p 9 -0.942 14.667 1.833 1.00 0.00 C ATOM 139 C ALA p 9 -0.311 13.727 2.852 1.00 0.00 C ATOM 140 O ALA p 9 0.857 13.347 2.742 1.00 0.00 O ATOM 141 CB ALA p 9 -0.482 16.097 2.062 1.00 0.00 C ATOM 0 H ALA p 9 -2.847 15.247 2.476 1.00 0.00 H new ATOM 0 HA ALA p 9 -0.625 14.413 0.822 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.604 16.147 1.983 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -0.930 16.748 1.312 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.789 16.423 3.056 1.00 0.00 H new ATOM 147 N GLN p 10 -1.138 13.375 3.853 1.00 0.00 N ATOM 148 CA GLN p 10 -0.796 12.414 4.891 1.00 0.00 C ATOM 149 C GLN p 10 -1.116 11.074 4.328 1.00 0.00 C ATOM 150 O GLN p 10 -0.431 10.107 4.557 1.00 0.00 O ATOM 151 CB GLN p 10 -1.652 12.597 6.122 1.00 0.00 C ATOM 152 CG GLN p 10 -1.321 13.824 6.909 1.00 0.00 C ATOM 153 CD GLN p 10 -0.601 13.530 8.210 1.00 0.00 C ATOM 154 OE1 GLN p 10 -1.228 13.339 9.252 1.00 0.00 O ATOM 155 NE2 GLN p 10 0.725 13.491 8.156 1.00 0.00 N ATOM 0 H GLN p 10 -2.076 13.763 3.956 1.00 0.00 H new ATOM 0 HA GLN p 10 0.249 12.536 5.175 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -2.699 12.640 5.822 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.540 11.723 6.764 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -0.700 14.481 6.300 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -2.241 14.366 7.126 1.00 0.00 H new ATOM 0 HE21 GLN p 10 1.204 13.655 7.271 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.264 13.297 9.000 1.00 0.00 H new ATOM 164 N ASN p 11 -2.234 11.095 3.606 1.00 0.00 N ATOM 165 CA ASN p 11 -2.771 9.943 2.863 1.00 0.00 C ATOM 166 C ASN p 11 -1.900 9.710 1.646 1.00 0.00 C ATOM 167 O ASN p 11 -1.918 8.635 1.054 1.00 0.00 O ATOM 168 CB ASN p 11 -4.223 10.155 2.426 1.00 0.00 C ATOM 169 CG ASN p 11 -5.031 8.864 2.397 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.835 7.967 3.219 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.949 8.766 1.443 1.00 0.00 N ATOM 0 H ASN p 11 -2.811 11.932 3.515 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.761 9.076 3.523 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.701 10.861 3.105 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.236 10.607 1.434 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.523 7.926 1.372 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.081 9.531 0.781 1.00 0.00 H new ATOM 178 N GLU p 12 -1.167 10.775 1.283 1.00 0.00 N ATOM 179 CA GLU p 12 -0.200 10.787 0.229 1.00 0.00 C ATOM 180 C GLU p 12 1.078 10.260 0.837 1.00 0.00 C ATOM 181 O GLU p 12 1.919 9.652 0.186 1.00 0.00 O ATOM 182 CB GLU p 12 -0.011 12.219 -0.186 1.00 0.00 C ATOM 183 CG GLU p 12 0.980 12.409 -1.278 1.00 0.00 C ATOM 184 CD GLU p 12 0.392 13.023 -2.534 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.074 12.259 -3.405 1.00 0.00 O ATOM 186 OE2 GLU p 12 0.399 14.267 -2.646 1.00 0.00 O ATOM 0 H GLU p 12 -1.253 11.678 1.750 1.00 0.00 H new ATOM 0 HA GLU p 12 -0.496 10.191 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -0.971 12.623 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.305 12.799 0.681 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.788 13.045 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU p 12 1.422 11.444 -1.528 1.00 0.00 H new ATOM 193 N TRP p 13 1.168 10.597 2.120 1.00 0.00 N ATOM 194 CA TRP p 13 2.250 10.200 3.016 1.00 0.00 C ATOM 195 C TRP p 13 1.999 8.769 3.490 1.00 0.00 C ATOM 196 O TRP p 13 2.918 8.081 3.920 1.00 0.00 O ATOM 197 CB TRP p 13 2.365 11.152 4.209 1.00 0.00 C ATOM 198 CG TRP p 13 3.753 11.230 4.786 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.733 12.111 4.432 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.313 10.395 5.812 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.867 11.880 5.173 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.635 10.833 6.026 1.00 0.00 C ATOM 203 CE3 TRP p 13 3.830 9.323 6.572 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.474 10.237 6.964 1.00 0.00 C ATOM 205 CZ3 TRP p 13 4.665 8.734 7.502 1.00 0.00 C ATOM 206 CH2 TRP p 13 5.974 9.192 7.692 1.00 0.00 C ATOM 0 H TRP p 13 0.465 11.174 2.581 1.00 0.00 H new ATOM 0 HA TRP p 13 3.195 10.248 2.475 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.053 12.149 3.899 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.674 10.830 4.988 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.632 12.878 3.679 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.740 12.403 5.100 1.00 0.00 H new ATOM 0 HE3 TRP p 13 2.821 8.962 6.434 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.485 10.588 7.112 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 4.301 7.906 8.092 1.00 0.00 H new ATOM 0 HH2 TRP p 13 6.602 8.711 8.428 1.00 0.00 H new ATOM 217 N GLU p 14 0.713 8.374 3.434 1.00 0.00 N ATOM 218 CA GLU p 14 0.260 7.005 3.761 1.00 0.00 C ATOM 219 C GLU p 14 0.229 6.250 2.470 1.00 0.00 C ATOM 220 O GLU p 14 0.095 5.035 2.434 1.00 0.00 O ATOM 221 CB GLU p 14 -1.126 6.962 4.394 1.00 0.00 C ATOM 222 CG GLU p 14 -1.256 7.901 5.555 1.00 0.00 C ATOM 223 CD GLU p 14 -1.982 7.298 6.742 1.00 0.00 C ATOM 224 OE1 GLU p 14 -3.223 7.425 6.806 1.00 0.00 O ATOM 225 OE2 GLU p 14 -1.310 6.699 7.608 1.00 0.00 O ATOM 0 H GLU p 14 -0.046 8.997 3.159 1.00 0.00 H new ATOM 0 HA GLU p 14 0.943 6.575 4.494 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.873 7.214 3.642 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.339 5.946 4.727 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.261 8.217 5.870 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.787 8.796 5.231 1.00 0.00 H new ATOM 232 N LEU p 15 0.267 7.064 1.422 1.00 0.00 N ATOM 233 CA LEU p 15 0.357 6.627 0.030 1.00 0.00 C ATOM 234 C LEU p 15 1.841 6.457 -0.266 1.00 0.00 C ATOM 235 O LEU p 15 2.245 5.719 -1.159 1.00 0.00 O ATOM 236 CB LEU p 15 -0.267 7.669 -0.925 1.00 0.00 C ATOM 237 CG LEU p 15 -0.289 7.357 -2.440 1.00 0.00 C ATOM 238 CD1 LEU p 15 0.935 7.953 -3.113 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.363 5.864 -2.703 1.00 0.00 C ATOM 0 H LEU p 15 0.235 8.079 1.518 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.192 5.698 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.295 7.838 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.268 8.608 -0.787 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.186 7.810 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU p 15 0.910 7.728 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU p 15 0.939 9.034 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU p 15 1.836 7.526 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -0.377 5.684 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.506 5.374 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.272 5.460 -2.256 1.00 0.00 H new ATOM 251 N GLN p 16 2.608 7.208 0.523 1.00 0.00 N ATOM 252 CA GLN p 16 4.038 7.239 0.539 1.00 0.00 C ATOM 253 C GLN p 16 4.505 6.162 1.491 1.00 0.00 C ATOM 254 O GLN p 16 5.579 5.604 1.346 1.00 0.00 O ATOM 255 CB GLN p 16 4.430 8.590 1.073 1.00 0.00 C ATOM 256 CG GLN p 16 5.897 8.834 1.079 1.00 0.00 C ATOM 257 CD GLN p 16 6.327 9.963 0.163 1.00 0.00 C ATOM 258 OE1 GLN p 16 6.625 9.745 -1.012 1.00 0.00 O ATOM 259 NE2 GLN p 16 6.364 11.178 0.696 1.00 0.00 N ATOM 0 H GLN p 16 2.203 7.847 1.207 1.00 0.00 H new ATOM 0 HA GLN p 16 4.473 7.073 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.946 9.361 0.474 1.00 0.00 H new ATOM 0 HB3 GLN p 16 4.051 8.692 2.090 1.00 0.00 H new ATOM 0 HG2 GLN p 16 6.215 9.061 2.096 1.00 0.00 H new ATOM 0 HG3 GLN p 16 6.410 7.920 0.781 1.00 0.00 H new ATOM 0 HE21 GLN p 16 6.109 11.314 1.674 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.648 11.976 0.127 1.00 0.00 H new ATOM 268 N ALA p 17 3.679 6.008 2.519 1.00 0.00 N ATOM 269 CA ALA p 17 3.827 4.979 3.557 1.00 0.00 C ATOM 270 C ALA p 17 3.188 3.699 3.049 1.00 0.00 C ATOM 271 O ALA p 17 3.417 2.616 3.585 1.00 0.00 O ATOM 272 CB ALA p 17 3.208 5.396 4.885 1.00 0.00 C ATOM 0 H ALA p 17 2.866 6.607 2.663 1.00 0.00 H new ATOM 0 HA ALA p 17 4.889 4.829 3.751 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.345 4.600 5.616 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.692 6.305 5.243 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.143 5.582 4.747 1.00 0.00 H new ATOM 278 N LEU p 18 2.362 3.876 2.002 1.00 0.00 N ATOM 279 CA LEU p 18 1.711 2.798 1.285 1.00 0.00 C ATOM 280 C LEU p 18 2.710 2.371 0.249 1.00 0.00 C ATOM 281 O LEU p 18 2.803 1.211 -0.115 1.00 0.00 O ATOM 282 CB LEU p 18 0.456 3.302 0.594 1.00 0.00 C ATOM 283 CG LEU p 18 -0.639 2.295 0.268 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.794 3.069 -0.305 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.165 1.249 -0.729 1.00 0.00 C ATOM 0 H LEU p 18 2.132 4.799 1.633 1.00 0.00 H new ATOM 0 HA LEU p 18 1.416 1.987 1.951 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.019 4.078 1.222 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.758 3.779 -0.338 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.928 1.759 1.172 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -2.604 2.383 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -2.145 3.795 0.428 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.471 3.591 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.975 0.549 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.136 1.739 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU p 18 0.684 0.708 -0.312 1.00 0.00 H new ATOM 297 N GLU p 19 3.407 3.406 -0.240 1.00 0.00 N ATOM 298 CA GLU p 19 4.495 3.309 -1.158 1.00 0.00 C ATOM 299 C GLU p 19 5.675 2.722 -0.403 1.00 0.00 C ATOM 300 O GLU p 19 6.351 1.833 -0.855 1.00 0.00 O ATOM 301 CB GLU p 19 4.798 4.718 -1.609 1.00 0.00 C ATOM 302 CG GLU p 19 5.639 4.794 -2.825 1.00 0.00 C ATOM 303 CD GLU p 19 4.868 5.190 -4.069 1.00 0.00 C ATOM 304 OE1 GLU p 19 4.350 4.287 -4.759 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.783 6.403 -4.353 1.00 0.00 O ATOM 0 H GLU p 19 3.199 4.370 0.021 1.00 0.00 H new ATOM 0 HA GLU p 19 4.275 2.680 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.859 5.238 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.300 5.248 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU p 19 6.440 5.514 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU p 19 6.111 3.826 -2.992 1.00 0.00 H new ATOM 312 N LYS p 20 5.879 3.262 0.778 1.00 0.00 N ATOM 313 CA LYS p 20 6.903 2.792 1.716 1.00 0.00 C ATOM 314 C LYS p 20 6.500 1.407 2.215 1.00 0.00 C ATOM 315 O LYS p 20 7.241 0.721 2.910 1.00 0.00 O ATOM 316 CB LYS p 20 7.040 3.756 2.883 1.00 0.00 C ATOM 317 CG LYS p 20 8.470 4.134 3.217 1.00 0.00 C ATOM 318 CD LYS p 20 8.927 3.506 4.524 1.00 0.00 C ATOM 319 CE LYS p 20 10.342 3.931 4.880 1.00 0.00 C ATOM 320 NZ LYS p 20 10.795 3.328 6.164 1.00 0.00 N ATOM 0 H LYS p 20 5.337 4.051 1.129 1.00 0.00 H new ATOM 0 HA LYS p 20 7.868 2.739 1.213 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.480 4.664 2.657 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.580 3.309 3.764 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.129 3.814 2.410 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.553 5.219 3.286 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.247 3.795 5.325 1.00 0.00 H new ATOM 0 HD3 LYS p 20 8.881 2.420 4.443 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.022 3.636 4.081 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.387 5.018 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 10.846 4.066 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.120 2.594 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.735 2.903 6.035 1.00 0.00 H new ATOM 334 N GLU p 21 5.269 1.063 1.891 1.00 0.00 N ATOM 335 CA GLU p 21 4.715 -0.245 2.160 1.00 0.00 C ATOM 336 C GLU p 21 4.853 -1.038 0.869 1.00 0.00 C ATOM 337 O GLU p 21 5.059 -2.254 0.869 1.00 0.00 O ATOM 338 CB GLU p 21 3.255 -0.106 2.616 1.00 0.00 C ATOM 339 CG GLU p 21 2.329 -1.238 2.202 1.00 0.00 C ATOM 340 CD GLU p 21 1.771 -2.006 3.385 1.00 0.00 C ATOM 341 OE1 GLU p 21 0.706 -1.609 3.902 1.00 0.00 O ATOM 342 OE2 GLU p 21 2.400 -3.004 3.795 1.00 0.00 O ATOM 0 H GLU p 21 4.618 1.696 1.426 1.00 0.00 H new ATOM 0 HA GLU p 21 5.236 -0.763 2.966 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.238 -0.026 3.703 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.857 0.829 2.221 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.504 -0.831 1.618 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.871 -1.925 1.552 1.00 0.00 H new ATOM 349 N LEU p 22 4.727 -0.286 -0.226 1.00 0.00 N ATOM 350 CA LEU p 22 4.830 -0.804 -1.568 1.00 0.00 C ATOM 351 C LEU p 22 6.256 -0.736 -2.095 1.00 0.00 C ATOM 352 O LEU p 22 6.832 -1.753 -2.461 1.00 0.00 O ATOM 353 CB LEU p 22 3.920 0.017 -2.480 1.00 0.00 C ATOM 354 CG LEU p 22 3.121 -0.741 -3.528 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.219 0.240 -4.238 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.045 -1.432 -4.515 1.00 0.00 C ATOM 0 H LEU p 22 4.547 0.717 -0.191 1.00 0.00 H new ATOM 0 HA LEU p 22 4.530 -1.852 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.218 0.566 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.534 0.757 -2.993 1.00 0.00 H new ATOM 0 HG LEU p 22 2.522 -1.514 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU p 22 1.636 -0.284 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU p 22 1.545 0.702 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU p 22 2.824 1.011 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU p 22 3.451 -1.968 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU p 22 4.664 -0.688 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU p 22 4.684 -2.137 -3.983 1.00 0.00 H new ATOM 368 N ALA p 23 6.815 0.474 -2.079 1.00 0.00 N ATOM 369 CA ALA p 23 8.165 0.734 -2.622 1.00 0.00 C ATOM 370 C ALA p 23 9.302 0.428 -1.647 1.00 0.00 C ATOM 371 O ALA p 23 10.461 0.382 -2.066 1.00 0.00 O ATOM 372 CB ALA p 23 8.269 2.169 -3.120 1.00 0.00 C ATOM 0 H ALA p 23 6.357 1.300 -1.695 1.00 0.00 H new ATOM 0 HA ALA p 23 8.289 0.040 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA p 23 9.269 2.345 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA p 23 7.532 2.336 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.080 2.855 -2.294 1.00 0.00 H new ATOM 378 N GLN p 24 8.988 0.213 -0.364 1.00 0.00 N ATOM 379 CA GLN p 24 10.002 -0.091 0.635 1.00 0.00 C ATOM 380 C GLN p 24 10.162 -1.603 0.743 1.00 0.00 C ATOM 381 O GLN p 24 11.185 -2.092 1.173 1.00 0.00 O ATOM 382 CB GLN p 24 9.617 0.547 1.964 1.00 0.00 C ATOM 383 CG GLN p 24 10.098 -0.188 3.205 1.00 0.00 C ATOM 384 CD GLN p 24 10.995 0.648 4.107 1.00 0.00 C ATOM 385 OE1 GLN p 24 11.764 1.495 3.644 1.00 0.00 O ATOM 386 NE2 GLN p 24 10.900 0.412 5.411 1.00 0.00 N ATOM 0 H GLN p 24 8.036 0.246 0.001 1.00 0.00 H new ATOM 0 HA GLN p 24 10.966 0.325 0.342 1.00 0.00 H new ATOM 0 HB2 GLN p 24 10.012 1.562 1.988 1.00 0.00 H new ATOM 0 HB3 GLN p 24 8.531 0.627 2.008 1.00 0.00 H new ATOM 0 HG2 GLN p 24 9.232 -0.520 3.777 1.00 0.00 H new ATOM 0 HG3 GLN p 24 10.640 -1.083 2.898 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.252 -0.297 5.755 1.00 0.00 H new ATOM 0 HE22 GLN p 24 11.475 0.940 6.068 1.00 0.00 H new ATOM 395 N LEU p 25 9.100 -2.287 0.338 1.00 0.00 N ATOM 396 CA LEU p 25 8.978 -3.742 0.286 1.00 0.00 C ATOM 397 C LEU p 25 9.785 -4.255 -0.898 1.00 0.00 C ATOM 398 O LEU p 25 10.405 -5.309 -0.846 1.00 0.00 O ATOM 399 CB LEU p 25 7.497 -4.074 0.083 1.00 0.00 C ATOM 400 CG LEU p 25 6.965 -5.409 0.617 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.596 -5.635 0.022 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.877 -6.580 0.278 1.00 0.00 C ATOM 0 H LEU p 25 8.253 -1.818 0.019 1.00 0.00 H new ATOM 0 HA LEU p 25 9.348 -4.204 1.201 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.913 -3.277 0.543 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.294 -4.041 -0.987 1.00 0.00 H new ATOM 0 HG LEU p 25 6.921 -5.355 1.705 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.193 -6.580 0.386 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.933 -4.821 0.315 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.672 -5.667 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU p 25 7.453 -7.500 0.680 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.971 -6.666 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.861 -6.413 0.716 1.00 0.00 H new ATOM 414 N GLU p 26 9.695 -3.464 -1.960 1.00 0.00 N ATOM 415 CA GLU p 26 10.395 -3.631 -3.223 1.00 0.00 C ATOM 416 C GLU p 26 11.808 -3.172 -3.009 1.00 0.00 C ATOM 417 O GLU p 26 12.715 -3.526 -3.746 1.00 0.00 O ATOM 418 CB GLU p 26 9.752 -2.772 -4.298 1.00 0.00 C ATOM 419 CG GLU p 26 8.264 -2.974 -4.409 1.00 0.00 C ATOM 420 CD GLU p 26 7.808 -3.297 -5.818 1.00 0.00 C ATOM 421 OE1 GLU p 26 7.502 -2.351 -6.575 1.00 0.00 O ATOM 422 OE2 GLU p 26 7.757 -4.495 -6.166 1.00 0.00 O ATOM 0 H GLU p 26 9.094 -2.640 -1.960 1.00 0.00 H new ATOM 0 HA GLU p 26 10.357 -4.672 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU p 26 9.955 -1.722 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU p 26 10.215 -2.997 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU p 26 7.963 -3.782 -3.743 1.00 0.00 H new ATOM 0 HG3 GLU p 26 7.755 -2.073 -4.067 1.00 0.00 H new ATOM 429 N LYS p 27 11.918 -2.305 -2.002 1.00 0.00 N ATOM 430 CA LYS p 27 13.199 -1.773 -1.527 1.00 0.00 C ATOM 431 C LYS p 27 13.796 -2.772 -0.557 1.00 0.00 C ATOM 432 O LYS p 27 15.015 -2.930 -0.480 1.00 0.00 O ATOM 433 CB LYS p 27 13.042 -0.409 -0.863 1.00 0.00 C ATOM 434 CG LYS p 27 13.466 0.763 -1.740 1.00 0.00 C ATOM 435 CD LYS p 27 14.927 1.135 -1.517 1.00 0.00 C ATOM 436 CE LYS p 27 15.350 2.292 -2.409 1.00 0.00 C ATOM 437 NZ LYS p 27 16.780 2.656 -2.203 1.00 0.00 N ATOM 0 H LYS p 27 11.113 -1.948 -1.487 1.00 0.00 H new ATOM 0 HA LYS p 27 13.861 -1.628 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.999 -0.275 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS p 27 13.630 -0.394 0.054 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.312 0.507 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.834 1.625 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS p 27 15.079 1.405 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS p 27 15.559 0.270 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS p 27 15.190 2.023 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS p 27 14.721 3.158 -2.203 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 17.030 3.448 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 16.928 2.937 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 17.382 1.837 -2.424 1.00 0.00 H new ATOM 451 N GLU p 28 12.901 -3.444 0.191 1.00 0.00 N ATOM 452 CA GLU p 28 13.308 -4.531 1.106 1.00 0.00 C ATOM 453 C GLU p 28 13.647 -5.695 0.224 1.00 0.00 C ATOM 454 O GLU p 28 14.544 -6.496 0.502 1.00 0.00 O ATOM 455 CB GLU p 28 12.205 -4.963 2.076 1.00 0.00 C ATOM 456 CG GLU p 28 11.694 -3.850 2.945 1.00 0.00 C ATOM 457 CD GLU p 28 11.955 -4.075 4.423 1.00 0.00 C ATOM 458 OE1 GLU p 28 13.025 -3.650 4.907 1.00 0.00 O ATOM 459 OE2 GLU p 28 11.090 -4.675 5.094 1.00 0.00 O ATOM 0 H GLU p 28 11.898 -3.257 0.182 1.00 0.00 H new ATOM 0 HA GLU p 28 14.136 -4.183 1.723 1.00 0.00 H new ATOM 0 HB2 GLU p 28 11.374 -5.377 1.505 1.00 0.00 H new ATOM 0 HB3 GLU p 28 12.585 -5.763 2.712 1.00 0.00 H new ATOM 0 HG2 GLU p 28 12.162 -2.915 2.639 1.00 0.00 H new ATOM 0 HG3 GLU p 28 10.622 -3.737 2.785 1.00 0.00 H new ATOM 466 N LEU p 29 12.875 -5.745 -0.860 1.00 0.00 N ATOM 467 CA LEU p 29 13.049 -6.731 -1.910 1.00 0.00 C ATOM 468 C LEU p 29 14.321 -6.421 -2.689 1.00 0.00 C ATOM 469 O LEU p 29 15.132 -7.311 -2.962 1.00 0.00 O ATOM 470 CB LEU p 29 11.850 -6.682 -2.850 1.00 0.00 C ATOM 471 CG LEU p 29 11.417 -7.982 -3.522 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.252 -7.670 -4.430 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.553 -8.606 -4.314 1.00 0.00 C ATOM 0 H LEU p 29 12.107 -5.095 -1.030 1.00 0.00 H new ATOM 0 HA LEU p 29 13.127 -7.726 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU p 29 11.000 -6.297 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.069 -5.957 -3.634 1.00 0.00 H new ATOM 0 HG LEU p 29 11.127 -8.705 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.921 -8.583 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.432 -7.259 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.560 -6.942 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU p 29 12.208 -9.530 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.882 -7.912 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.385 -8.825 -3.645 1.00 0.00 H new ATOM 485 N GLN p 30 14.470 -5.138 -3.038 1.00 0.00 N ATOM 486 CA GLN p 30 15.654 -4.657 -3.788 1.00 0.00 C ATOM 487 C GLN p 30 16.956 -4.849 -2.996 1.00 0.00 C ATOM 488 O GLN p 30 17.989 -5.235 -3.550 1.00 0.00 O ATOM 489 CB GLN p 30 15.439 -3.185 -4.220 1.00 0.00 C ATOM 490 CG GLN p 30 16.329 -2.121 -3.564 1.00 0.00 C ATOM 491 CD GLN p 30 17.637 -1.912 -4.304 1.00 0.00 C ATOM 492 OE1 GLN p 30 18.637 -2.571 -4.021 1.00 0.00 O ATOM 493 NE2 GLN p 30 17.636 -0.987 -5.258 1.00 0.00 N ATOM 0 H GLN p 30 13.791 -4.409 -2.817 1.00 0.00 H new ATOM 0 HA GLN p 30 15.763 -5.263 -4.687 1.00 0.00 H new ATOM 0 HB2 GLN p 30 15.582 -3.126 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN p 30 14.399 -2.924 -4.022 1.00 0.00 H new ATOM 0 HG2 GLN p 30 15.787 -1.177 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN p 30 16.541 -2.415 -2.536 1.00 0.00 H new ATOM 0 HE21 GLN p 30 16.784 -0.464 -5.460 1.00 0.00 H new ATOM 0 HE22 GLN p 30 18.487 -0.800 -5.788 1.00 0.00 H new ATOM 502 N ALA p 31 16.865 -4.570 -1.705 1.00 0.00 N ATOM 503 CA ALA p 31 17.998 -4.691 -0.772 1.00 0.00 C ATOM 504 C ALA p 31 18.279 -6.149 -0.369 1.00 0.00 C ATOM 505 O ALA p 31 19.261 -6.427 0.328 1.00 0.00 O ATOM 506 CB ALA p 31 17.745 -3.842 0.467 1.00 0.00 C ATOM 0 H ALA p 31 16.003 -4.251 -1.263 1.00 0.00 H new ATOM 0 HA ALA p 31 18.884 -4.328 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA p 31 18.588 -3.937 1.152 1.00 0.00 H new ATOM 0 HB2 ALA p 31 17.631 -2.798 0.176 1.00 0.00 H new ATOM 0 HB3 ALA p 31 16.835 -4.182 0.962 1.00 0.00 H new ATOM 512 N TRP p 32 17.417 -7.072 -0.824 1.00 0.00 N ATOM 513 CA TRP p 32 17.563 -8.501 -0.519 1.00 0.00 C ATOM 514 C TRP p 32 18.472 -9.198 -1.539 1.00 0.00 C ATOM 515 O TRP p 32 19.293 -10.042 -1.169 1.00 0.00 O ATOM 516 CB TRP p 32 16.186 -9.176 -0.489 1.00 0.00 C ATOM 517 CG TRP p 32 16.127 -10.392 0.394 1.00 0.00 C ATOM 518 CD1 TRP p 32 15.712 -10.435 1.694 1.00 0.00 C ATOM 519 CD2 TRP p 32 16.493 -11.739 0.047 1.00 0.00 C ATOM 520 NE1 TRP p 32 15.796 -11.717 2.177 1.00 0.00 N ATOM 521 CE2 TRP p 32 16.272 -12.536 1.186 1.00 0.00 C ATOM 522 CE3 TRP p 32 16.984 -12.348 -1.115 1.00 0.00 C ATOM 523 CZ2 TRP p 32 16.526 -13.905 1.198 1.00 0.00 C ATOM 524 CZ3 TRP p 32 17.234 -13.708 -1.099 1.00 0.00 C ATOM 525 CH2 TRP p 32 17.005 -14.473 0.050 1.00 0.00 C ATOM 0 H TRP p 32 16.609 -6.851 -1.406 1.00 0.00 H new ATOM 0 HA TRP p 32 18.028 -8.591 0.463 1.00 0.00 H new ATOM 0 HB2 TRP p 32 15.445 -8.454 -0.147 1.00 0.00 H new ATOM 0 HB3 TRP p 32 15.909 -9.461 -1.504 1.00 0.00 H new ATOM 0 HD1 TRP p 32 15.367 -9.583 2.261 1.00 0.00 H new ATOM 0 HE1 TRP p 32 15.545 -12.012 3.120 1.00 0.00 H new ATOM 0 HE3 TRP p 32 17.164 -11.766 -2.007 1.00 0.00 H new ATOM 0 HZ2 TRP p 32 16.351 -14.498 2.084 1.00 0.00 H new ATOM 0 HZ3 TRP p 32 17.613 -14.188 -1.989 1.00 0.00 H new ATOM 0 HH2 TRP p 32 17.211 -15.533 0.030 1.00 0.00 H new ATOM 536 N ASN p 33 18.317 -8.828 -2.831 1.00 0.00 N ATOM 537 CA ASN p 33 19.107 -9.390 -3.955 1.00 0.00 C ATOM 538 C ASN p 33 18.877 -10.895 -4.130 1.00 0.00 C ATOM 539 O ASN p 33 19.052 -11.673 -3.187 1.00 0.00 O ATOM 540 CB ASN p 33 20.611 -9.105 -3.790 1.00 0.00 C ATOM 541 CG ASN p 33 20.946 -7.633 -3.946 1.00 0.00 C ATOM 542 OD1 ASN p 33 21.229 -7.164 -5.048 1.00 0.00 O ATOM 543 ND2 ASN p 33 20.915 -6.898 -2.841 1.00 0.00 N ATOM 0 H ASN p 33 17.637 -8.127 -3.126 1.00 0.00 H new ATOM 0 HA ASN p 33 18.753 -8.888 -4.856 1.00 0.00 H new ATOM 0 HB2 ASN p 33 20.936 -9.446 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN p 33 21.169 -9.681 -4.528 1.00 0.00 H new ATOM 0 HD21 ASN p 33 21.131 -5.902 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN p 33 20.675 -7.329 -1.948 1.00 0.00 H new ATOM 550 N CYS p 34 18.483 -11.286 -5.348 1.00 0.00 N ATOM 551 CA CYS p 34 18.222 -12.690 -5.674 1.00 0.00 C ATOM 552 C CYS p 34 18.895 -13.077 -6.989 1.00 0.00 C ATOM 553 O CYS p 34 18.746 -12.382 -7.998 1.00 0.00 O ATOM 554 CB CYS p 34 16.715 -12.946 -5.765 1.00 0.00 C ATOM 555 SG CYS p 34 15.813 -12.589 -4.238 1.00 0.00 S ATOM 0 H CYS p 34 18.338 -10.644 -6.127 1.00 0.00 H new ATOM 0 HA CYS p 34 18.639 -13.305 -4.876 1.00 0.00 H new ATOM 0 HB2 CYS p 34 16.302 -12.338 -6.569 1.00 0.00 H new ATOM 0 HB3 CYS p 34 16.550 -13.989 -6.037 1.00 0.00 H new ATOM 0 HG CYS p 34 16.538 -12.933 -3.215 1.00 0.00 H new ATOM 561 N ILE p 35 19.635 -14.190 -6.959 1.00 0.00 N ATOM 562 CA ILE p 35 20.341 -14.696 -8.145 1.00 0.00 C ATOM 563 C ILE p 35 19.672 -15.960 -8.701 1.00 0.00 C ATOM 564 O ILE p 35 19.613 -16.150 -9.920 1.00 0.00 O ATOM 565 CB ILE p 35 21.853 -14.968 -7.873 1.00 0.00 C ATOM 566 CG1 ILE p 35 22.097 -15.666 -6.519 1.00 0.00 C ATOM 567 CG2 ILE p 35 22.639 -13.668 -7.937 1.00 0.00 C ATOM 568 CD1 ILE p 35 22.113 -17.177 -6.603 1.00 0.00 C ATOM 0 H ILE p 35 19.762 -14.761 -6.124 1.00 0.00 H new ATOM 0 HA ILE p 35 20.277 -13.906 -8.893 1.00 0.00 H new ATOM 0 HB ILE p 35 22.199 -15.647 -8.652 1.00 0.00 H new ATOM 0 HG12 ILE p 35 23.048 -15.324 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE p 35 21.321 -15.359 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE p 35 23.693 -13.870 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE p 35 22.529 -13.224 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE p 35 22.260 -12.976 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE p 35 22.290 -17.595 -5.612 1.00 0.00 H new ATOM 0 HD12 ILE p 35 21.153 -17.531 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE p 35 22.907 -17.495 -7.278 1.00 0.00 H new ATOM 580 N CYS p 36 19.175 -16.812 -7.797 1.00 0.00 N ATOM 581 CA CYS p 36 18.496 -18.056 -8.176 1.00 0.00 C ATOM 582 C CYS p 36 17.091 -18.131 -7.565 1.00 0.00 C ATOM 583 O CYS p 36 16.310 -19.029 -7.894 1.00 0.00 O ATOM 584 CB CYS p 36 19.322 -19.269 -7.738 1.00 0.00 C ATOM 585 SG CYS p 36 20.871 -19.474 -8.648 1.00 0.00 S ATOM 0 H CYS p 36 19.231 -16.660 -6.790 1.00 0.00 H new ATOM 0 HA CYS p 36 18.397 -18.064 -9.261 1.00 0.00 H new ATOM 0 HB2 CYS p 36 19.547 -19.178 -6.675 1.00 0.00 H new ATOM 0 HB3 CYS p 36 18.719 -20.169 -7.860 1.00 0.00 H new ATOM 0 HG CYS p 36 21.499 -20.523 -8.205 1.00 0.00 H new ATOM 591 N ASP p 37 16.775 -17.165 -6.672 1.00 0.00 N ATOM 592 CA ASP p 37 15.467 -17.072 -5.979 1.00 0.00 C ATOM 593 C ASP p 37 15.188 -18.305 -5.108 1.00 0.00 C ATOM 594 O ASP p 37 14.841 -19.380 -5.614 1.00 0.00 O ATOM 595 CB ASP p 37 14.308 -16.842 -6.973 1.00 0.00 C ATOM 596 CG ASP p 37 14.372 -15.480 -7.638 1.00 0.00 C ATOM 597 OD1 ASP p 37 15.010 -15.370 -8.707 1.00 0.00 O ATOM 598 OD2 ASP p 37 13.785 -14.523 -7.090 1.00 0.00 O ATOM 0 H ASP p 37 17.424 -16.423 -6.410 1.00 0.00 H new ATOM 0 HA ASP p 37 15.528 -16.205 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP p 37 14.331 -17.618 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP p 37 13.358 -16.941 -6.447 1.00 0.00 H new ATOM 603 N ILE p 38 15.368 -18.133 -3.793 1.00 0.00 N ATOM 604 CA ILE p 38 15.140 -19.205 -2.815 1.00 0.00 C ATOM 605 C ILE p 38 14.664 -18.633 -1.479 1.00 0.00 C ATOM 606 O ILE p 38 15.315 -17.756 -0.904 1.00 0.00 O ATOM 607 CB ILE p 38 16.400 -20.101 -2.588 1.00 0.00 C ATOM 608 CG1 ILE p 38 17.700 -19.280 -2.477 1.00 0.00 C ATOM 609 CG2 ILE p 38 16.523 -21.124 -3.706 1.00 0.00 C ATOM 610 CD1 ILE p 38 18.093 -18.947 -1.052 1.00 0.00 C ATOM 0 H ILE p 38 15.674 -17.253 -3.378 1.00 0.00 H new ATOM 0 HA ILE p 38 14.361 -19.840 -3.238 1.00 0.00 H new ATOM 0 HB ILE p 38 16.261 -20.611 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE p 38 18.511 -19.836 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE p 38 17.582 -18.353 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE p 38 17.404 -21.743 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE p 38 15.634 -21.755 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE p 38 16.619 -20.609 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE p 38 19.017 -18.369 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE p 38 17.301 -18.363 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE p 38 18.244 -19.869 -0.491 1.00 0.00 H new ATOM 622 N GLU p 39 13.516 -19.129 -1.006 1.00 0.00 N ATOM 623 CA GLU p 39 12.935 -18.678 0.261 1.00 0.00 C ATOM 624 C GLU p 39 12.554 -19.863 1.141 1.00 0.00 C ATOM 625 O GLU p 39 12.148 -20.915 0.637 1.00 0.00 O ATOM 626 CB GLU p 39 11.702 -17.801 0.009 1.00 0.00 C ATOM 627 CG GLU p 39 12.022 -16.471 -0.662 1.00 0.00 C ATOM 628 CD GLU p 39 10.857 -15.503 -0.631 1.00 0.00 C ATOM 629 OE1 GLU p 39 10.591 -14.927 0.444 1.00 0.00 O ATOM 630 OE2 GLU p 39 10.211 -15.317 -1.684 1.00 0.00 O ATOM 0 H GLU p 39 12.970 -19.845 -1.484 1.00 0.00 H new ATOM 0 HA GLU p 39 13.690 -18.088 0.780 1.00 0.00 H new ATOM 0 HB2 GLU p 39 10.997 -18.352 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU p 39 11.204 -17.608 0.959 1.00 0.00 H new ATOM 0 HG2 GLU p 39 12.880 -16.016 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU p 39 12.311 -16.652 -1.697 1.00 0.00 H new ATOM 637 N ASN p 40 12.694 -19.678 2.457 1.00 0.00 N ATOM 638 CA ASN p 40 12.369 -20.719 3.435 1.00 0.00 C ATOM 639 C ASN p 40 10.991 -20.478 4.050 1.00 0.00 C ATOM 640 O ASN p 40 10.498 -19.345 4.061 1.00 0.00 O ATOM 641 CB ASN p 40 13.433 -20.768 4.538 1.00 0.00 C ATOM 642 CG ASN p 40 14.764 -21.307 4.042 1.00 0.00 C ATOM 643 OD1 ASN p 40 15.623 -20.551 3.589 1.00 0.00 O ATOM 644 ND2 ASN p 40 14.939 -22.621 4.128 1.00 0.00 N ATOM 0 H ASN p 40 13.033 -18.810 2.871 1.00 0.00 H new ATOM 0 HA ASN p 40 12.353 -21.677 2.915 1.00 0.00 H new ATOM 0 HB2 ASN p 40 13.579 -19.766 4.942 1.00 0.00 H new ATOM 0 HB3 ASN p 40 13.074 -21.393 5.356 1.00 0.00 H new ATOM 0 HD21 ASN p 40 15.813 -23.041 3.812 1.00 0.00 H new ATOM 0 HD22 ASN p 40 14.199 -23.210 4.511 1.00 0.00 H new ATOM 651 N CYS p 41 10.379 -21.555 4.562 1.00 0.00 N ATOM 652 CA CYS p 41 9.053 -21.484 5.184 1.00 0.00 C ATOM 653 C CYS p 41 9.161 -21.211 6.683 1.00 0.00 C ATOM 654 O CYS p 41 10.136 -21.613 7.325 1.00 0.00 O ATOM 655 CB CYS p 41 8.287 -22.786 4.947 1.00 0.00 C ATOM 656 SG CYS p 41 8.023 -23.179 3.202 1.00 0.00 S ATOM 0 H CYS p 41 10.786 -22.490 4.556 1.00 0.00 H new ATOM 0 HA CYS p 41 8.510 -20.658 4.724 1.00 0.00 H new ATOM 0 HB2 CYS p 41 8.832 -23.606 5.415 1.00 0.00 H new ATOM 0 HB3 CYS p 41 7.319 -22.722 5.444 1.00 0.00 H new ATOM 0 HG CYS p 41 7.369 -24.298 3.103 1.00 0.00 H new ATOM 662 N SER p 42 8.150 -20.525 7.225 1.00 0.00 N ATOM 663 CA SER p 42 8.110 -20.184 8.648 1.00 0.00 C ATOM 664 C SER p 42 7.267 -21.185 9.432 1.00 0.00 C ATOM 665 O SER p 42 6.309 -21.754 8.899 1.00 0.00 O ATOM 666 CB SER p 42 7.551 -18.772 8.838 1.00 0.00 C ATOM 667 OG SER p 42 8.353 -17.813 8.170 1.00 0.00 O ATOM 0 H SER p 42 7.344 -20.194 6.695 1.00 0.00 H new ATOM 0 HA SER p 42 9.130 -20.222 9.031 1.00 0.00 H new ATOM 0 HB2 SER p 42 6.531 -18.727 8.457 1.00 0.00 H new ATOM 0 HB3 SER p 42 7.505 -18.535 9.901 1.00 0.00 H new ATOM 0 HG SER p 42 7.975 -16.919 8.305 1.00 0.00 H new ATOM 673 N ASN p 43 7.637 -21.389 10.700 1.00 0.00 N ATOM 674 CA ASN p 43 6.929 -22.321 11.583 1.00 0.00 C ATOM 675 C ASN p 43 5.952 -21.580 12.499 1.00 0.00 C ATOM 676 O ASN p 43 6.156 -20.405 12.814 1.00 0.00 O ATOM 677 CB ASN p 43 7.927 -23.158 12.415 1.00 0.00 C ATOM 678 CG ASN p 43 8.981 -22.332 13.154 1.00 0.00 C ATOM 679 OD1 ASN p 43 8.718 -21.215 13.605 1.00 0.00 O ATOM 680 ND2 ASN p 43 10.181 -22.886 13.278 1.00 0.00 N ATOM 0 H ASN p 43 8.428 -20.918 11.140 1.00 0.00 H new ATOM 0 HA ASN p 43 6.353 -23.000 10.955 1.00 0.00 H new ATOM 0 HB2 ASN p 43 7.370 -23.748 13.142 1.00 0.00 H new ATOM 0 HB3 ASN p 43 8.432 -23.862 11.754 1.00 0.00 H new ATOM 0 HD21 ASN p 43 10.927 -22.385 13.761 1.00 0.00 H new ATOM 0 HD22 ASN p 43 10.357 -23.813 12.890 1.00 0.00 H new ATOM 687 N MET p 44 4.884 -22.295 12.918 1.00 0.00 N ATOM 688 CA MET p 44 3.817 -21.768 13.812 1.00 0.00 C ATOM 689 C MET p 44 2.915 -20.745 13.104 1.00 0.00 C ATOM 690 O MET p 44 1.688 -20.876 13.136 1.00 0.00 O ATOM 691 CB MET p 44 4.386 -21.164 15.113 1.00 0.00 C ATOM 692 CG MET p 44 4.937 -22.199 16.084 1.00 0.00 C ATOM 693 SD MET p 44 6.377 -23.068 15.434 1.00 0.00 S ATOM 694 CE MET p 44 6.759 -24.161 16.802 1.00 0.00 C ATOM 0 H MET p 44 4.733 -23.266 12.644 1.00 0.00 H new ATOM 0 HA MET p 44 3.206 -22.630 14.080 1.00 0.00 H new ATOM 0 HB2 MET p 44 5.179 -20.460 14.859 1.00 0.00 H new ATOM 0 HB3 MET p 44 3.601 -20.594 15.611 1.00 0.00 H new ATOM 0 HG2 MET p 44 5.206 -21.707 17.019 1.00 0.00 H new ATOM 0 HG3 MET p 44 4.156 -22.923 16.318 1.00 0.00 H new ATOM 0 HE1 MET p 44 7.630 -24.767 16.552 1.00 0.00 H new ATOM 0 HE2 MET p 44 6.972 -23.569 17.692 1.00 0.00 H new ATOM 0 HE3 MET p 44 5.907 -24.813 16.996 1.00 0.00 H new ATOM 704 N ALA p 45 3.529 -19.737 12.471 1.00 0.00 N ATOM 705 CA ALA p 45 2.790 -18.695 11.760 1.00 0.00 C ATOM 706 C ALA p 45 3.288 -18.550 10.309 1.00 0.00 C ATOM 707 O ALA p 45 4.369 -17.993 10.081 1.00 0.00 O ATOM 708 CB ALA p 45 2.897 -17.369 12.506 1.00 0.00 C ATOM 0 H ALA p 45 4.542 -19.624 12.439 1.00 0.00 H new ATOM 0 HA ALA p 45 1.741 -18.988 11.721 1.00 0.00 H new ATOM 0 HB1 ALA p 45 2.342 -16.602 11.966 1.00 0.00 H new ATOM 0 HB2 ALA p 45 2.481 -17.480 13.507 1.00 0.00 H new ATOM 0 HB3 ALA p 45 3.944 -17.076 12.579 1.00 0.00 H new ATOM 714 N PRO p 46 2.521 -19.068 9.292 1.00 0.00 N ATOM 715 CA PRO p 46 2.909 -18.969 7.863 1.00 0.00 C ATOM 716 C PRO p 46 3.050 -17.519 7.372 1.00 0.00 C ATOM 717 O PRO p 46 4.164 -17.049 7.124 1.00 0.00 O ATOM 718 CB PRO p 46 1.758 -19.677 7.129 1.00 0.00 C ATOM 719 CG PRO p 46 1.127 -20.557 8.145 1.00 0.00 C ATOM 720 CD PRO p 46 1.248 -19.819 9.446 1.00 0.00 C ATOM 0 HA PRO p 46 3.889 -19.413 7.686 1.00 0.00 H new ATOM 0 HB2 PRO p 46 1.042 -18.957 6.733 1.00 0.00 H new ATOM 0 HB3 PRO p 46 2.128 -20.256 6.283 1.00 0.00 H new ATOM 0 HG2 PRO p 46 0.083 -20.753 7.901 1.00 0.00 H new ATOM 0 HG3 PRO p 46 1.629 -21.523 8.194 1.00 0.00 H new ATOM 0 HD2 PRO p 46 0.403 -19.150 9.610 1.00 0.00 H new ATOM 0 HD3 PRO p 46 1.283 -20.502 10.295 1.00 0.00 H new ATOM 728 N LEU p 47 1.898 -16.818 7.237 1.00 0.00 N ATOM 729 CA LEU p 47 1.814 -15.411 6.786 1.00 0.00 C ATOM 730 C LEU p 47 2.246 -15.202 5.325 1.00 0.00 C ATOM 731 O LEU p 47 1.903 -14.189 4.723 1.00 0.00 O ATOM 732 CB LEU p 47 2.611 -14.498 7.718 1.00 0.00 C ATOM 733 CG LEU p 47 1.929 -14.171 9.049 1.00 0.00 C ATOM 734 CD1 LEU p 47 2.963 -14.031 10.153 1.00 0.00 C ATOM 735 CD2 LEU p 47 1.100 -12.899 8.933 1.00 0.00 C ATOM 0 H LEU p 47 0.985 -17.224 7.443 1.00 0.00 H new ATOM 0 HA LEU p 47 0.758 -15.143 6.830 1.00 0.00 H new ATOM 0 HB2 LEU p 47 3.572 -14.968 7.926 1.00 0.00 H new ATOM 0 HB3 LEU p 47 2.819 -13.564 7.195 1.00 0.00 H new ATOM 0 HG LEU p 47 1.259 -14.993 9.301 1.00 0.00 H new ATOM 0 HD11 LEU p 47 2.462 -13.798 11.093 1.00 0.00 H new ATOM 0 HD12 LEU p 47 3.513 -14.966 10.257 1.00 0.00 H new ATOM 0 HD13 LEU p 47 3.656 -13.228 9.903 1.00 0.00 H new ATOM 0 HD21 LEU p 47 0.625 -12.686 9.890 1.00 0.00 H new ATOM 0 HD22 LEU p 47 1.747 -12.067 8.656 1.00 0.00 H new ATOM 0 HD23 LEU p 47 0.334 -13.032 8.169 1.00 0.00 H new ATOM 747 N TYR p 48 2.986 -16.184 4.776 1.00 0.00 N ATOM 748 CA TYR p 48 3.499 -16.202 3.384 1.00 0.00 C ATOM 749 C TYR p 48 4.264 -14.929 2.980 1.00 0.00 C ATOM 750 O TYR p 48 4.077 -13.856 3.559 1.00 0.00 O ATOM 751 CB TYR p 48 2.348 -16.486 2.406 1.00 0.00 C ATOM 752 CG TYR p 48 1.767 -17.881 2.538 1.00 0.00 C ATOM 753 CD1 TYR p 48 0.886 -18.190 3.570 1.00 0.00 C ATOM 754 CD2 TYR p 48 2.102 -18.885 1.639 1.00 0.00 C ATOM 755 CE1 TYR p 48 0.356 -19.458 3.700 1.00 0.00 C ATOM 756 CE2 TYR p 48 1.573 -20.157 1.762 1.00 0.00 C ATOM 757 CZ TYR p 48 0.702 -20.438 2.794 1.00 0.00 C ATOM 758 OH TYR p 48 0.176 -21.703 2.920 1.00 0.00 O ATOM 0 H TYR p 48 3.254 -17.015 5.302 1.00 0.00 H new ATOM 0 HA TYR p 48 4.233 -17.006 3.336 1.00 0.00 H new ATOM 0 HB2 TYR p 48 1.556 -15.755 2.569 1.00 0.00 H new ATOM 0 HB3 TYR p 48 2.706 -16.346 1.386 1.00 0.00 H new ATOM 0 HD1 TYR p 48 0.612 -17.425 4.281 1.00 0.00 H new ATOM 0 HD2 TYR p 48 2.786 -18.669 0.832 1.00 0.00 H new ATOM 0 HE1 TYR p 48 -0.326 -19.681 4.507 1.00 0.00 H new ATOM 0 HE2 TYR p 48 1.841 -20.927 1.053 1.00 0.00 H new ATOM 0 HH TYR p 48 0.520 -22.273 2.201 1.00 0.00 H new ATOM 768 N SER p 49 5.138 -15.077 1.977 1.00 0.00 N ATOM 769 CA SER p 49 5.949 -13.966 1.469 1.00 0.00 C ATOM 770 C SER p 49 5.784 -13.803 -0.043 1.00 0.00 C ATOM 771 O SER p 49 5.922 -12.697 -0.571 1.00 0.00 O ATOM 772 CB SER p 49 7.423 -14.190 1.810 1.00 0.00 C ATOM 773 OG SER p 49 7.616 -14.280 3.211 1.00 0.00 O ATOM 0 H SER p 49 5.302 -15.963 1.499 1.00 0.00 H new ATOM 0 HA SER p 49 5.602 -13.051 1.950 1.00 0.00 H new ATOM 0 HB2 SER p 49 7.775 -15.104 1.332 1.00 0.00 H new ATOM 0 HB3 SER p 49 8.020 -13.371 1.410 1.00 0.00 H new ATOM 0 HG SER p 49 8.566 -14.425 3.402 1.00 0.00 H new ATOM 779 N ASP p 50 5.495 -14.917 -0.729 1.00 0.00 N ATOM 780 CA ASP p 50 5.304 -14.920 -2.184 1.00 0.00 C ATOM 781 C ASP p 50 3.817 -14.859 -2.538 1.00 0.00 C ATOM 782 O ASP p 50 3.418 -14.134 -3.454 1.00 0.00 O ATOM 783 CB ASP p 50 5.941 -16.169 -2.809 1.00 0.00 C ATOM 784 CG ASP p 50 7.456 -16.164 -2.719 1.00 0.00 C ATOM 785 OD1 ASP p 50 8.102 -15.578 -3.614 1.00 0.00 O ATOM 786 OD2 ASP p 50 7.995 -16.745 -1.755 1.00 0.00 O ATOM 0 H ASP p 50 5.388 -15.834 -0.295 1.00 0.00 H new ATOM 0 HA ASP p 50 5.794 -14.034 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP p 50 5.555 -17.057 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP p 50 5.644 -16.238 -3.855 1.00 0.00 H new ATOM 791 N GLN p 51 3.012 -15.630 -1.795 1.00 0.00 N ATOM 792 CA GLN p 51 1.558 -15.690 -1.991 1.00 0.00 C ATOM 793 C GLN p 51 0.836 -14.619 -1.162 1.00 0.00 C ATOM 794 O GLN p 51 -0.372 -14.428 -1.302 1.00 0.00 O ATOM 795 CB GLN p 51 1.031 -17.083 -1.620 1.00 0.00 C ATOM 796 CG GLN p 51 1.379 -18.164 -2.635 1.00 0.00 C ATOM 797 CD GLN p 51 0.844 -19.527 -2.240 1.00 0.00 C ATOM 798 OE1 GLN p 51 -0.275 -19.895 -2.598 1.00 0.00 O ATOM 799 NE2 GLN p 51 1.643 -20.284 -1.497 1.00 0.00 N ATOM 0 H GLN p 51 3.350 -16.229 -1.042 1.00 0.00 H new ATOM 0 HA GLN p 51 1.355 -15.496 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN p 51 1.435 -17.367 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN p 51 -0.053 -17.034 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN p 51 0.975 -17.887 -3.609 1.00 0.00 H new ATOM 0 HG3 GLN p 51 2.462 -18.220 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN p 51 2.563 -19.939 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN p 51 1.337 -21.211 -1.200 1.00 0.00 H new ATOM 808 N ALA p 52 1.588 -13.947 -0.285 1.00 0.00 N ATOM 809 CA ALA p 52 1.046 -12.900 0.585 1.00 0.00 C ATOM 810 C ALA p 52 1.455 -11.488 0.131 1.00 0.00 C ATOM 811 O ALA p 52 1.008 -10.498 0.703 1.00 0.00 O ATOM 812 CB ALA p 52 1.509 -13.147 2.017 1.00 0.00 C ATOM 0 H ALA p 52 2.586 -14.113 -0.159 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.041 -12.948 0.527 1.00 0.00 H new ATOM 0 HB1 ALA p 52 1.108 -12.370 2.668 1.00 0.00 H new ATOM 0 HB2 ALA p 52 1.152 -14.121 2.352 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.598 -13.127 2.056 1.00 0.00 H new ATOM 818 N LEU p 53 2.337 -11.413 -0.866 1.00 0.00 N ATOM 819 CA LEU p 53 2.845 -10.161 -1.391 1.00 0.00 C ATOM 820 C LEU p 53 2.067 -9.731 -2.628 1.00 0.00 C ATOM 821 O LEU p 53 1.291 -8.781 -2.589 1.00 0.00 O ATOM 822 CB LEU p 53 4.332 -10.357 -1.701 1.00 0.00 C ATOM 823 CG LEU p 53 5.186 -9.103 -1.814 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.602 -9.457 -1.432 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.134 -8.555 -3.230 1.00 0.00 C ATOM 0 H LEU p 53 2.719 -12.235 -1.333 1.00 0.00 H new ATOM 0 HA LEU p 53 2.722 -9.364 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.760 -10.989 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.413 -10.907 -2.638 1.00 0.00 H new ATOM 0 HG LEU p 53 4.807 -8.331 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.231 -8.570 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.620 -9.830 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.979 -10.227 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.750 -7.658 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.511 -9.306 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.104 -8.308 -3.487 1.00 0.00 H new ATOM 837 N LYS p 54 2.265 -10.492 -3.707 1.00 0.00 N ATOM 838 CA LYS p 54 1.619 -10.252 -5.014 1.00 0.00 C ATOM 839 C LYS p 54 0.095 -10.394 -4.942 1.00 0.00 C ATOM 840 O LYS p 54 -0.614 -10.008 -5.866 1.00 0.00 O ATOM 841 CB LYS p 54 2.175 -11.219 -6.064 1.00 0.00 C ATOM 842 CG LYS p 54 3.590 -10.889 -6.518 1.00 0.00 C ATOM 843 CD LYS p 54 4.074 -11.860 -7.582 1.00 0.00 C ATOM 844 CE LYS p 54 5.480 -11.520 -8.049 1.00 0.00 C ATOM 845 NZ LYS p 54 5.959 -12.461 -9.099 1.00 0.00 N ATOM 0 H LYS p 54 2.884 -11.303 -3.705 1.00 0.00 H new ATOM 0 HA LYS p 54 1.844 -9.224 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.161 -12.230 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.515 -11.216 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS p 54 3.619 -9.873 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.264 -10.920 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.057 -12.875 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.392 -11.839 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS p 54 5.497 -10.502 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.162 -11.547 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 6.921 -12.195 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 5.967 -13.429 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 5.323 -12.417 -9.921 1.00 0.00 H new ATOM 859 N LYS p 55 -0.370 -10.968 -3.833 1.00 0.00 N ATOM 860 CA LYS p 55 -1.769 -11.184 -3.553 1.00 0.00 C ATOM 861 C LYS p 55 -2.302 -10.053 -2.701 1.00 0.00 C ATOM 862 O LYS p 55 -3.416 -9.582 -2.917 1.00 0.00 O ATOM 863 CB LYS p 55 -1.967 -12.525 -2.863 1.00 0.00 C ATOM 864 CG LYS p 55 -2.161 -13.685 -3.826 1.00 0.00 C ATOM 865 CD LYS p 55 -2.756 -14.901 -3.129 1.00 0.00 C ATOM 866 CE LYS p 55 -2.925 -16.075 -4.084 1.00 0.00 C ATOM 867 NZ LYS p 55 -4.048 -15.867 -5.041 1.00 0.00 N ATOM 0 H LYS p 55 0.243 -11.302 -3.089 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.324 -11.202 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.103 -12.730 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.834 -12.461 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.816 -13.376 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.203 -13.953 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.112 -15.196 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.724 -14.638 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -1.999 -16.225 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.103 -16.985 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -4.125 -16.691 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -4.937 -15.750 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -3.867 -15.014 -5.608 1.00 0.00 H new ATOM 881 N LYS p 56 -1.483 -9.625 -1.723 1.00 0.00 N ATOM 882 CA LYS p 56 -1.852 -8.490 -0.843 1.00 0.00 C ATOM 883 C LYS p 56 -1.676 -7.166 -1.598 1.00 0.00 C ATOM 884 O LYS p 56 -2.125 -6.106 -1.159 1.00 0.00 O ATOM 885 CB LYS p 56 -1.023 -8.478 0.436 1.00 0.00 C ATOM 886 CG LYS p 56 -1.601 -9.356 1.535 1.00 0.00 C ATOM 887 CD LYS p 56 -0.813 -9.222 2.828 1.00 0.00 C ATOM 888 CE LYS p 56 -1.387 -10.105 3.924 1.00 0.00 C ATOM 889 NZ LYS p 56 -0.626 -9.976 5.197 1.00 0.00 N ATOM 0 H LYS p 56 -0.573 -10.038 -1.520 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.897 -8.611 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.011 -8.812 0.208 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.946 -7.454 0.801 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.641 -9.082 1.712 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.596 -10.397 1.211 1.00 0.00 H new ATOM 0 HD2 LYS p 56 0.228 -9.491 2.650 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -0.822 -8.182 3.155 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -2.430 -9.838 4.096 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -1.374 -11.145 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -1.049 -10.594 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 0.364 -10.255 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -0.660 -8.989 5.523 1.00 0.00 H new ATOM 903 N LEU p 57 -1.002 -7.292 -2.740 1.00 0.00 N ATOM 904 CA LEU p 57 -0.718 -6.226 -3.681 1.00 0.00 C ATOM 905 C LEU p 57 -1.817 -6.245 -4.700 1.00 0.00 C ATOM 906 O LEU p 57 -2.350 -5.212 -5.094 1.00 0.00 O ATOM 907 CB LEU p 57 0.613 -6.481 -4.379 1.00 0.00 C ATOM 908 CG LEU p 57 1.819 -5.679 -3.903 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.147 -5.973 -2.444 1.00 0.00 C ATOM 910 CD2 LEU p 57 2.988 -6.023 -4.794 1.00 0.00 C ATOM 0 H LEU p 57 -0.623 -8.189 -3.043 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.659 -5.266 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU p 57 0.850 -7.540 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.478 -6.287 -5.443 1.00 0.00 H new ATOM 0 HG LEU p 57 1.596 -4.614 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.012 -5.384 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.292 -5.713 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.372 -7.033 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU p 57 3.866 -5.462 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.195 -7.091 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU p 57 2.748 -5.765 -5.825 1.00 0.00 H new ATOM 922 N ALA p 58 -2.120 -7.480 -5.130 1.00 0.00 N ATOM 923 CA ALA p 58 -3.227 -7.737 -6.077 1.00 0.00 C ATOM 924 C ALA p 58 -4.568 -7.389 -5.424 1.00 0.00 C ATOM 925 O ALA p 58 -5.579 -7.185 -6.101 1.00 0.00 O ATOM 926 CB ALA p 58 -3.238 -9.181 -6.551 1.00 0.00 C ATOM 0 H ALA p 58 -1.617 -8.318 -4.840 1.00 0.00 H new ATOM 0 HA ALA p 58 -3.072 -7.102 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -4.065 -9.330 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -2.298 -9.406 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.359 -9.844 -5.694 1.00 0.00 H new ATOM 932 N GLN p 59 -4.532 -7.332 -4.088 1.00 0.00 N ATOM 933 CA GLN p 59 -5.651 -6.981 -3.257 1.00 0.00 C ATOM 934 C GLN p 59 -5.591 -5.481 -2.974 1.00 0.00 C ATOM 935 O GLN p 59 -6.604 -4.853 -2.720 1.00 0.00 O ATOM 936 CB GLN p 59 -5.546 -7.802 -1.970 1.00 0.00 C ATOM 937 CG GLN p 59 -6.377 -7.278 -0.827 1.00 0.00 C ATOM 938 CD GLN p 59 -7.292 -8.327 -0.225 1.00 0.00 C ATOM 939 OE1 GLN p 59 -6.912 -9.037 0.707 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.504 -8.430 -0.755 1.00 0.00 N ATOM 0 H GLN p 59 -3.688 -7.539 -3.554 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.604 -7.197 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.848 -8.828 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.502 -7.835 -1.659 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.715 -6.894 -0.051 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.978 -6.439 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.777 -7.821 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.163 -9.118 -0.391 1.00 0.00 H new ATOM 949 N LEU p 60 -4.365 -4.956 -3.020 1.00 0.00 N ATOM 950 CA LEU p 60 -4.062 -3.536 -2.802 1.00 0.00 C ATOM 951 C LEU p 60 -4.196 -2.769 -4.123 1.00 0.00 C ATOM 952 O LEU p 60 -4.164 -1.547 -4.161 1.00 0.00 O ATOM 953 CB LEU p 60 -2.637 -3.392 -2.234 1.00 0.00 C ATOM 954 CG LEU p 60 -2.208 -1.996 -1.730 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.463 -1.261 -2.829 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.408 -1.182 -1.264 1.00 0.00 C ATOM 0 H LEU p 60 -3.535 -5.517 -3.214 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.768 -3.118 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.532 -4.095 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.934 -3.701 -3.007 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.547 -2.129 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -1.162 -0.277 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.578 -1.830 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -2.113 -1.147 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -3.072 -0.205 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -4.104 -1.052 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.908 -1.705 -0.449 1.00 0.00 H new ATOM 968 N LYS p 61 -4.324 -3.557 -5.173 1.00 0.00 N ATOM 969 CA LYS p 61 -4.497 -3.127 -6.552 1.00 0.00 C ATOM 970 C LYS p 61 -5.986 -3.122 -6.821 1.00 0.00 C ATOM 971 O LYS p 61 -6.511 -2.335 -7.613 1.00 0.00 O ATOM 972 CB LYS p 61 -3.778 -4.101 -7.488 1.00 0.00 C ATOM 973 CG LYS p 61 -2.451 -3.584 -8.025 1.00 0.00 C ATOM 974 CD LYS p 61 -2.608 -2.945 -9.396 1.00 0.00 C ATOM 975 CE LYS p 61 -1.290 -2.385 -9.905 1.00 0.00 C ATOM 976 NZ LYS p 61 -1.429 -1.786 -11.261 1.00 0.00 N ATOM 0 H LYS p 61 -4.310 -4.573 -5.084 1.00 0.00 H new ATOM 0 HA LYS p 61 -4.075 -2.136 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.603 -5.036 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -4.433 -4.330 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -2.037 -2.855 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.738 -4.406 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -2.987 -3.684 -10.102 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -3.348 -2.146 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -0.924 -1.629 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -0.545 -3.180 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 -0.509 -1.415 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -1.754 -2.513 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -2.121 -1.011 -11.229 1.00 0.00 H new ATOM 990 N TRP p 62 -6.636 -4.050 -6.112 1.00 0.00 N ATOM 991 CA TRP p 62 -8.077 -4.213 -6.122 1.00 0.00 C ATOM 992 C TRP p 62 -8.656 -3.280 -5.076 1.00 0.00 C ATOM 993 O TRP p 62 -9.787 -2.802 -5.204 1.00 0.00 O ATOM 994 CB TRP p 62 -8.462 -5.661 -5.819 1.00 0.00 C ATOM 995 CG TRP p 62 -9.371 -6.267 -6.850 1.00 0.00 C ATOM 996 CD1 TRP p 62 -10.736 -6.238 -6.848 1.00 0.00 C ATOM 997 CD2 TRP p 62 -8.988 -6.994 -8.029 1.00 0.00 C ATOM 998 NE1 TRP p 62 -11.225 -6.900 -7.949 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.173 -7.371 -8.689 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -7.759 -7.362 -8.594 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -10.168 -8.096 -9.878 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -7.757 -8.081 -9.775 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -8.954 -8.441 -10.406 1.00 0.00 C ATOM 0 H TRP p 62 -6.158 -4.717 -5.506 1.00 0.00 H new ATOM 0 HA TRP p 62 -8.474 -3.971 -7.108 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.556 -6.262 -5.747 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.951 -5.703 -4.846 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -11.343 -5.764 -6.091 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -12.212 -7.021 -8.178 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -6.830 -7.089 -8.115 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -11.090 -8.376 -10.366 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -6.816 -8.370 -10.219 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -8.918 -9.002 -11.328 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.846 -3.034 -4.032 1.00 0.00 N ATOM 1015 CA LYS p 63 -8.228 -2.100 -2.964 1.00 0.00 C ATOM 1016 C LYS p 63 -7.803 -0.675 -3.321 1.00 0.00 C ATOM 1017 O LYS p 63 -8.236 0.274 -2.688 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.635 -2.499 -1.616 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.489 -3.494 -0.847 1.00 0.00 C ATOM 1020 CD LYS p 63 -8.012 -3.648 0.587 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.867 -4.644 1.353 1.00 0.00 C ATOM 1022 NZ LYS p 63 -8.413 -4.797 2.763 1.00 0.00 N ATOM 0 H LYS p 63 -6.930 -3.466 -3.907 1.00 0.00 H new ATOM 0 HA LYS p 63 -9.314 -2.141 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.646 -2.929 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.499 -1.604 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.528 -3.164 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.460 -4.462 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.973 -3.978 0.593 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -8.042 -2.680 1.088 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.906 -4.316 1.340 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.832 -5.612 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -9.022 -5.485 3.251 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -7.429 -5.135 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -8.470 -3.879 3.248 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.931 -0.569 -4.336 1.00 0.00 N ATOM 1037 CA LEU p 64 -6.401 0.691 -4.869 1.00 0.00 C ATOM 1038 C LEU p 64 -7.429 1.400 -5.734 1.00 0.00 C ATOM 1039 O LEU p 64 -7.401 2.604 -5.892 1.00 0.00 O ATOM 1040 CB LEU p 64 -5.147 0.365 -5.699 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.861 1.234 -6.927 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -4.387 2.595 -6.493 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.846 0.559 -7.831 1.00 0.00 C ATOM 0 H LEU p 64 -6.565 -1.387 -4.823 1.00 0.00 H new ATOM 0 HA LEU p 64 -6.154 1.359 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -4.282 0.424 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -5.224 -0.670 -6.031 1.00 0.00 H new ATOM 0 HG LEU p 64 -5.781 1.359 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -4.186 3.207 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -5.157 3.072 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -3.475 2.492 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.655 1.191 -8.699 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -2.917 0.404 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.237 -0.403 -8.162 1.00 0.00 H new ATOM 1055 N GLN p 65 -8.262 0.583 -6.314 1.00 0.00 N ATOM 1056 CA GLN p 65 -9.364 0.950 -7.169 1.00 0.00 C ATOM 1057 C GLN p 65 -10.559 1.174 -6.260 1.00 0.00 C ATOM 1058 O GLN p 65 -11.540 1.803 -6.625 1.00 0.00 O ATOM 1059 CB GLN p 65 -9.593 -0.205 -8.155 1.00 0.00 C ATOM 1060 CG GLN p 65 -11.011 -0.326 -8.677 1.00 0.00 C ATOM 1061 CD GLN p 65 -11.083 -0.460 -10.185 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -11.062 -1.567 -10.724 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -11.168 0.671 -10.876 1.00 0.00 N ATOM 0 H GLN p 65 -8.187 -0.427 -6.196 1.00 0.00 H new ATOM 0 HA GLN p 65 -9.182 1.855 -7.748 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -8.919 -0.079 -9.002 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -9.320 -1.140 -7.666 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -11.487 -1.193 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -11.581 0.551 -8.369 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -11.182 1.567 -10.388 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -11.219 0.644 -11.894 1.00 0.00 H new ATOM 1072 N ALA p 66 -10.409 0.605 -5.073 1.00 0.00 N ATOM 1073 CA ALA p 66 -11.376 0.690 -3.984 1.00 0.00 C ATOM 1074 C ALA p 66 -10.949 1.820 -3.069 1.00 0.00 C ATOM 1075 O ALA p 66 -11.727 2.319 -2.259 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.471 -0.623 -3.220 1.00 0.00 C ATOM 0 H ALA p 66 -9.586 0.054 -4.832 1.00 0.00 H new ATOM 0 HA ALA p 66 -12.369 0.887 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -12.200 -0.524 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.784 -1.417 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.497 -0.870 -2.798 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.665 2.175 -3.220 1.00 0.00 N ATOM 1083 CA LEU p 67 -9.030 3.268 -2.504 1.00 0.00 C ATOM 1084 C LEU p 67 -9.092 4.469 -3.432 1.00 0.00 C ATOM 1085 O LEU p 67 -9.291 5.596 -3.000 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.581 2.853 -2.069 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.386 3.849 -2.177 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.836 3.898 -3.593 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -6.761 5.241 -1.716 1.00 0.00 C ATOM 0 H LEU p 67 -9.033 1.694 -3.860 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.533 3.523 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.640 2.539 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.314 1.972 -2.653 1.00 0.00 H new ATOM 0 HG LEU p 67 -5.608 3.475 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.004 4.601 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -5.488 2.906 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.620 4.222 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -5.898 5.900 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -7.576 5.621 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -7.080 5.206 -0.674 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.941 4.164 -4.720 1.00 0.00 N ATOM 1102 CA LYS p 68 -9.024 5.153 -5.801 1.00 0.00 C ATOM 1103 C LYS p 68 -10.476 5.452 -6.086 1.00 0.00 C ATOM 1104 O LYS p 68 -10.800 6.534 -6.559 1.00 0.00 O ATOM 1105 CB LYS p 68 -8.310 4.710 -7.082 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.901 5.276 -7.232 1.00 0.00 C ATOM 1107 CD LYS p 68 -6.902 6.633 -7.927 1.00 0.00 C ATOM 1108 CE LYS p 68 -5.495 7.201 -8.036 1.00 0.00 C ATOM 1109 NZ LYS p 68 -5.477 8.525 -8.717 1.00 0.00 N ATOM 0 H LYS p 68 -8.756 3.216 -5.048 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.508 6.052 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -8.257 3.621 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.906 5.014 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.443 5.373 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -6.288 4.577 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -7.334 6.533 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -7.534 7.327 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -5.067 7.301 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.864 6.502 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -4.499 8.875 -8.770 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -5.862 8.426 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -6.058 9.200 -8.179 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.344 4.457 -5.823 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.792 4.654 -5.937 1.00 0.00 C ATOM 1125 C LYS p 69 -13.250 5.354 -4.667 1.00 0.00 C ATOM 1126 O LYS p 69 -14.336 5.928 -4.606 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.541 3.335 -6.101 1.00 0.00 C ATOM 1128 CG LYS p 69 -14.129 3.121 -7.490 1.00 0.00 C ATOM 1129 CD LYS p 69 -15.572 3.601 -7.572 1.00 0.00 C ATOM 1130 CE LYS p 69 -16.152 3.386 -8.962 1.00 0.00 C ATOM 1131 NZ LYS p 69 -17.559 3.867 -9.057 1.00 0.00 N ATOM 0 H LYS p 69 -11.067 3.519 -5.533 1.00 0.00 H new ATOM 0 HA LYS p 69 -13.008 5.248 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.861 2.513 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -14.346 3.293 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.526 3.653 -8.226 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -14.083 2.062 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -16.176 3.068 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.620 4.659 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.539 3.909 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -16.113 2.326 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.918 3.703 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -18.149 3.350 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.593 4.884 -8.844 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.371 5.257 -3.656 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.542 5.891 -2.361 1.00 0.00 C ATOM 1147 C LYS p 70 -11.852 7.245 -2.391 1.00 0.00 C ATOM 1148 O LYS p 70 -12.180 8.139 -1.619 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.948 5.030 -1.259 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.981 4.359 -0.368 1.00 0.00 C ATOM 1151 CD LYS p 70 -13.243 5.161 0.898 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.269 4.481 1.790 1.00 0.00 C ATOM 1153 NZ LYS p 70 -14.546 5.271 3.022 1.00 0.00 N ATOM 0 H LYS p 70 -11.506 4.721 -3.729 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.605 6.015 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.321 4.262 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.298 5.649 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.913 4.237 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.636 3.360 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.310 5.289 1.448 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.595 6.157 0.632 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -15.196 4.339 1.234 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.909 3.490 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -15.250 4.773 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -13.667 5.385 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -14.914 6.207 2.759 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.861 7.338 -3.292 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.092 8.565 -3.539 1.00 0.00 C ATOM 1169 C ASN p 71 -10.813 9.372 -4.611 1.00 0.00 C ATOM 1170 O ASN p 71 -10.535 10.548 -4.814 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.660 8.261 -3.992 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.674 9.330 -3.557 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.088 9.248 -2.478 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.489 10.340 -4.400 1.00 0.00 N ATOM 0 H ASN p 71 -10.569 6.554 -3.875 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.022 9.129 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.350 7.298 -3.585 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.637 8.170 -5.078 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -6.839 11.089 -4.163 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -7.997 10.366 -5.284 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.719 8.668 -5.303 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.598 9.218 -6.327 1.00 0.00 C ATOM 1183 C ALA p 72 -13.871 9.596 -5.617 1.00 0.00 C ATOM 1184 O ALA p 72 -14.659 10.403 -6.097 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.884 8.220 -7.440 1.00 0.00 C ATOM 0 H ALA p 72 -11.860 7.669 -5.156 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.127 10.074 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.543 8.677 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.948 7.931 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.366 7.336 -7.021 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.033 8.946 -4.449 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.101 9.156 -3.527 1.00 0.00 C ATOM 1193 C GLN p 73 -14.700 10.330 -2.664 1.00 0.00 C ATOM 1194 O GLN p 73 -15.519 11.132 -2.234 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.195 7.909 -2.689 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.326 7.909 -1.722 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.381 6.864 -2.024 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -18.342 7.125 -2.747 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -17.205 5.669 -1.471 1.00 0.00 N ATOM 0 H GLN p 73 -13.377 8.232 -4.133 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.057 9.356 -4.011 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.296 7.048 -3.349 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.262 7.782 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.935 7.740 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.792 8.894 -1.721 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -16.393 5.496 -0.878 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -17.881 4.924 -1.640 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.397 10.333 -2.402 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.708 11.375 -1.658 1.00 0.00 C ATOM 1210 C LEU p 74 -12.509 12.560 -2.578 1.00 0.00 C ATOM 1211 O LEU p 74 -12.476 13.684 -2.144 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.361 10.868 -1.154 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.804 11.530 0.108 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.512 11.034 1.365 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.322 11.242 0.184 1.00 0.00 C ATOM 0 H LEU p 74 -12.775 9.587 -2.712 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.302 11.667 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.449 9.798 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.630 10.992 -1.953 1.00 0.00 H new ATOM 0 HG LEU p 74 -10.977 12.605 0.052 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.088 11.527 2.240 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.575 11.264 1.298 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.379 9.956 1.456 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -8.906 11.706 1.078 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.162 10.165 0.227 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.827 11.647 -0.699 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.412 12.261 -3.870 1.00 0.00 N ATOM 1228 CA LYS p 75 -12.281 13.272 -4.917 1.00 0.00 C ATOM 1229 C LYS p 75 -13.677 13.741 -5.234 1.00 0.00 C ATOM 1230 O LYS p 75 -13.894 14.818 -5.797 1.00 0.00 O ATOM 1231 CB LYS p 75 -11.621 12.702 -6.164 1.00 0.00 C ATOM 1232 CG LYS p 75 -10.309 13.373 -6.540 1.00 0.00 C ATOM 1233 CD LYS p 75 -10.435 14.160 -7.837 1.00 0.00 C ATOM 1234 CE LYS p 75 -9.125 14.839 -8.216 1.00 0.00 C ATOM 1235 NZ LYS p 75 -8.106 13.866 -8.702 1.00 0.00 N ATOM 0 H LYS p 75 -12.422 11.304 -4.223 1.00 0.00 H new ATOM 0 HA LYS p 75 -11.648 14.092 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.441 11.638 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -12.314 12.791 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -9.998 14.041 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -9.530 12.618 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -10.743 13.490 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -11.217 14.912 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -9.314 15.582 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -8.731 15.373 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -7.232 14.373 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -7.905 13.171 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -8.469 13.374 -9.543 1.00 0.00 H new ATOM 1249 N LYS p 76 -14.618 12.874 -4.846 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.041 13.153 -4.977 1.00 0.00 C ATOM 1251 C LYS p 76 -16.482 13.877 -3.728 1.00 0.00 C ATOM 1252 O LYS p 76 -17.387 14.715 -3.759 1.00 0.00 O ATOM 1253 CB LYS p 76 -16.846 11.874 -5.163 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.364 11.666 -6.579 1.00 0.00 C ATOM 1255 CD LYS p 76 -18.787 12.186 -6.742 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.300 11.994 -8.163 1.00 0.00 C ATOM 1257 NZ LYS p 76 -19.607 10.566 -8.463 1.00 0.00 N ATOM 0 H LYS p 76 -14.410 11.964 -4.435 1.00 0.00 H new ATOM 0 HA LYS p 76 -16.215 13.767 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.224 11.023 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -17.692 11.887 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -16.708 12.175 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.334 10.605 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -19.445 11.668 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -18.819 13.245 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -20.198 12.595 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -18.554 12.360 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -19.969 10.485 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -18.741 9.997 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -20.325 10.218 -7.796 1.00 0.00 H new ATOM 1271 N LYS p 77 -15.815 13.526 -2.621 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.058 14.170 -1.347 1.00 0.00 C ATOM 1273 C LYS p 77 -15.178 15.409 -1.214 1.00 0.00 C ATOM 1274 O LYS p 77 -15.431 16.270 -0.367 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.801 13.202 -0.200 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.037 12.444 0.247 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.816 11.752 1.582 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.058 11.000 2.034 1.00 0.00 C ATOM 1279 NZ LYS p 77 -17.851 10.323 3.344 1.00 0.00 N ATOM 0 H LYS p 77 -15.103 12.796 -2.594 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.103 14.477 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.037 12.486 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.399 13.756 0.648 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -17.878 13.133 0.328 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.303 11.704 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -15.980 11.058 1.499 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.543 12.491 2.335 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.894 11.694 2.112 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.328 10.259 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -18.720 9.822 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -17.069 9.642 3.263 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.618 11.032 4.068 1.00 0.00 H new ATOM 1293 N LEU p 78 -14.136 15.486 -2.067 1.00 0.00 N ATOM 1294 CA LEU p 78 -13.214 16.629 -2.091 1.00 0.00 C ATOM 1295 C LEU p 78 -13.943 17.951 -2.375 1.00 0.00 C ATOM 1296 O LEU p 78 -13.910 18.883 -1.567 1.00 0.00 O ATOM 1297 CB LEU p 78 -12.124 16.351 -3.149 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.105 17.460 -3.431 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -10.296 17.772 -2.189 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -10.202 17.033 -4.571 1.00 0.00 C ATOM 0 H LEU p 78 -13.915 14.762 -2.751 1.00 0.00 H new ATOM 0 HA LEU p 78 -12.757 16.741 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -11.575 15.462 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -12.622 16.107 -4.087 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.634 18.369 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -9.579 18.562 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -10.964 18.102 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -9.763 16.877 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -9.476 17.820 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -9.678 16.118 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -10.802 16.854 -5.463 1.00 0.00 H new ATOM 1312 N GLN p 79 -14.585 17.992 -3.529 1.00 0.00 N ATOM 1313 CA GLN p 79 -15.346 19.146 -3.989 1.00 0.00 C ATOM 1314 C GLN p 79 -16.818 19.044 -3.593 1.00 0.00 C ATOM 1315 O GLN p 79 -17.426 20.024 -3.154 1.00 0.00 O ATOM 1316 CB GLN p 79 -15.212 19.295 -5.515 1.00 0.00 C ATOM 1317 CG GLN p 79 -15.152 17.983 -6.298 1.00 0.00 C ATOM 1318 CD GLN p 79 -15.006 18.202 -7.792 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -15.997 18.305 -8.515 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -13.766 18.274 -8.260 1.00 0.00 N ATOM 0 H GLN p 79 -14.594 17.212 -4.186 1.00 0.00 H new ATOM 0 HA GLN p 79 -14.934 20.032 -3.505 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -16.056 19.879 -5.882 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -14.310 19.868 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -14.313 17.387 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -16.057 17.407 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -12.974 18.183 -7.623 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -13.605 18.420 -9.256 1.00 0.00 H new ATOM 1329 N ALA p 80 -17.366 17.834 -3.752 1.00 0.00 N ATOM 1330 CA ALA p 80 -18.777 17.504 -3.434 1.00 0.00 C ATOM 1331 C ALA p 80 -19.767 18.328 -4.270 1.00 0.00 C ATOM 1332 O ALA p 80 -20.467 17.726 -5.112 1.00 0.00 O ATOM 1333 CB ALA p 80 -19.068 17.660 -1.938 1.00 0.00 C ATOM 1334 OXT ALA p 80 -19.829 19.563 -4.081 1.00 0.00 O ATOM 0 H ALA p 80 -16.840 17.037 -4.111 1.00 0.00 H new ATOM 0 HA ALA p 80 -18.919 16.456 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -20.111 17.410 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.422 16.991 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -18.879 18.690 -1.636 1.00 0.00 H new TER 1340 ALA p 80