USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 12 HIS : no HE2:sc= -3.79 K(o=-3.8,f=-7.8!) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.0415 (180deg=-0.425) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 1.04 (180deg=0.958) USER MOD Single : A 21 SER OG : rot 15:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0455) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0579 X(o=-0.058,f=-0.058) USER MOD Single : A 33 ASN : amide:sc= 0.915 K(o=0.91,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot -111:sc= 0.618 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.16) USER MOD Single : A 60 TYR OH : rot -15:sc= 0.0236 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 90:sc= -0.621 USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= 2.17 (180deg=0.783) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0889 USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= 1.11 (180deg=0.366) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.236 -0.538 11.110 1.00 0.00 N ATOM 2 CA MET A 1 14.137 0.312 10.630 1.00 0.00 C ATOM 3 C MET A 1 13.541 -0.373 9.409 1.00 0.00 C ATOM 4 O MET A 1 14.281 -0.618 8.458 1.00 0.00 O ATOM 5 CB MET A 1 14.686 1.696 10.251 1.00 0.00 C ATOM 6 CG MET A 1 13.655 2.817 10.247 1.00 0.00 C ATOM 7 SD MET A 1 13.559 3.636 11.856 1.00 0.00 S ATOM 8 CE MET A 1 13.640 5.362 11.322 1.00 0.00 C ATOM 0 H1 MET A 1 15.671 -0.102 11.948 1.00 0.00 H new ATOM 0 H2 MET A 1 14.865 -1.476 11.361 1.00 0.00 H new ATOM 0 H3 MET A 1 15.950 -0.638 10.361 1.00 0.00 H new ATOM 0 HA MET A 1 13.377 0.448 11.400 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.483 1.958 10.947 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.136 1.633 9.260 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.914 3.548 9.481 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.677 2.413 9.985 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.593 6.015 12.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.575 5.534 10.789 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.801 5.578 10.661 1.00 0.00 H new ATOM 18 N ALA A 2 12.253 -0.720 9.412 1.00 0.00 N ATOM 19 CA ALA A 2 11.590 -1.329 8.262 1.00 0.00 C ATOM 20 C ALA A 2 10.118 -0.927 8.256 1.00 0.00 C ATOM 21 O ALA A 2 9.527 -0.720 9.317 1.00 0.00 O ATOM 22 CB ALA A 2 11.721 -2.851 8.339 1.00 0.00 C ATOM 0 H ALA A 2 11.640 -0.585 10.216 1.00 0.00 H new ATOM 0 HA ALA A 2 12.059 -0.982 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.225 -3.303 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.776 -3.126 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.255 -3.210 9.257 1.00 0.00 H new ATOM 28 N LEU A 3 9.509 -0.832 7.078 1.00 0.00 N ATOM 29 CA LEU A 3 8.124 -0.400 6.933 1.00 0.00 C ATOM 30 C LEU A 3 7.325 -1.669 6.693 1.00 0.00 C ATOM 31 O LEU A 3 7.127 -2.098 5.555 1.00 0.00 O ATOM 32 CB LEU A 3 7.986 0.693 5.848 1.00 0.00 C ATOM 33 CG LEU A 3 8.960 1.873 6.070 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.970 2.848 4.897 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.634 2.659 7.341 1.00 0.00 C ATOM 0 H LEU A 3 9.965 -1.054 6.193 1.00 0.00 H new ATOM 0 HA LEU A 3 7.733 0.097 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.171 0.253 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.962 1.067 5.842 1.00 0.00 H new ATOM 0 HG LEU A 3 9.944 1.414 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.670 3.658 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.277 2.325 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.970 3.259 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.345 3.478 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.624 3.062 7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.701 1.998 8.205 1.00 0.00 H new ATOM 47 N VAL A 4 6.957 -2.320 7.794 1.00 0.00 N ATOM 48 CA VAL A 4 6.277 -3.606 7.828 1.00 0.00 C ATOM 49 C VAL A 4 5.084 -3.465 8.783 1.00 0.00 C ATOM 50 O VAL A 4 4.927 -4.223 9.742 1.00 0.00 O ATOM 51 CB VAL A 4 7.273 -4.731 8.201 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.625 -6.127 8.229 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.450 -4.789 7.212 1.00 0.00 C ATOM 0 H VAL A 4 7.134 -1.946 8.726 1.00 0.00 H new ATOM 0 HA VAL A 4 5.889 -3.896 6.851 1.00 0.00 H new ATOM 0 HB VAL A 4 7.619 -4.479 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.375 -6.871 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.822 -6.140 8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.219 -6.359 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.130 -5.589 7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.072 -4.981 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.982 -3.838 7.224 1.00 0.00 H new ATOM 63 N LEU A 5 4.265 -2.433 8.573 1.00 0.00 N ATOM 64 CA LEU A 5 3.070 -2.204 9.364 1.00 0.00 C ATOM 65 C LEU A 5 2.120 -1.181 8.751 1.00 0.00 C ATOM 66 O LEU A 5 1.805 -0.155 9.352 1.00 0.00 O ATOM 67 CB LEU A 5 3.438 -1.820 10.807 1.00 0.00 C ATOM 68 CG LEU A 5 4.426 -0.638 10.939 1.00 0.00 C ATOM 69 CD1 LEU A 5 3.917 0.379 11.967 1.00 0.00 C ATOM 70 CD2 LEU A 5 5.820 -1.114 11.382 1.00 0.00 C ATOM 0 H LEU A 5 4.418 -1.734 7.846 1.00 0.00 H new ATOM 0 HA LEU A 5 2.526 -3.148 9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.523 -1.571 11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.870 -2.691 11.300 1.00 0.00 H new ATOM 0 HG LEU A 5 4.499 -0.175 9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.626 1.203 12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.948 0.763 11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.815 -0.105 12.938 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.488 -0.257 11.464 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.745 -1.610 12.350 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.216 -1.814 10.646 1.00 0.00 H new ATOM 82 N VAL A 6 1.580 -1.487 7.577 1.00 0.00 N ATOM 83 CA VAL A 6 0.747 -0.557 6.823 1.00 0.00 C ATOM 84 C VAL A 6 -0.711 -0.490 7.328 1.00 0.00 C ATOM 85 O VAL A 6 -1.668 -0.409 6.563 1.00 0.00 O ATOM 86 CB VAL A 6 0.890 -0.860 5.321 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.441 -2.285 4.968 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.190 0.164 4.431 1.00 0.00 C ATOM 0 H VAL A 6 1.708 -2.390 7.120 1.00 0.00 H new ATOM 0 HA VAL A 6 1.106 0.458 6.992 1.00 0.00 H new ATOM 0 HB VAL A 6 1.958 -0.783 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.561 -2.450 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.049 -3.004 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.607 -2.414 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.329 -0.108 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.875 0.180 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.615 1.152 4.609 1.00 0.00 H new ATOM 98 N LYS A 7 -0.939 -0.520 8.634 1.00 0.00 N ATOM 99 CA LYS A 7 -2.285 -0.458 9.193 1.00 0.00 C ATOM 100 C LYS A 7 -2.458 0.800 10.053 1.00 0.00 C ATOM 101 O LYS A 7 -3.285 0.786 10.964 1.00 0.00 O ATOM 102 CB LYS A 7 -2.530 -1.756 9.986 1.00 0.00 C ATOM 103 CG LYS A 7 -1.482 -2.063 11.067 1.00 0.00 C ATOM 104 CD LYS A 7 -2.081 -2.854 12.236 1.00 0.00 C ATOM 105 CE LYS A 7 -0.962 -3.437 13.107 1.00 0.00 C ATOM 106 NZ LYS A 7 -1.304 -3.457 14.543 1.00 0.00 N ATOM 0 H LYS A 7 -0.200 -0.588 9.334 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.030 -0.384 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.511 -1.696 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.564 -2.591 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.662 -2.631 10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.060 -1.129 11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.718 -2.204 12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.712 -3.657 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.743 -4.452 12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.054 -2.852 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.512 -3.861 15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.487 -2.487 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.154 -4.038 14.689 1.00 0.00 H new ATOM 120 N TYR A 8 -1.853 1.929 9.666 1.00 0.00 N ATOM 121 CA TYR A 8 -1.963 3.192 10.402 1.00 0.00 C ATOM 122 C TYR A 8 -1.933 4.386 9.441 1.00 0.00 C ATOM 123 O TYR A 8 -1.464 5.472 9.784 1.00 0.00 O ATOM 124 CB TYR A 8 -0.785 3.270 11.403 1.00 0.00 C ATOM 125 CG TYR A 8 -1.238 3.543 12.820 1.00 0.00 C ATOM 126 CD1 TYR A 8 -1.861 4.759 13.149 1.00 0.00 C ATOM 127 CD2 TYR A 8 -1.088 2.548 13.797 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.380 4.955 14.439 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.604 2.728 15.089 1.00 0.00 C ATOM 130 CZ TYR A 8 -2.271 3.931 15.409 1.00 0.00 C ATOM 131 OH TYR A 8 -2.850 4.066 16.635 1.00 0.00 O ATOM 0 H TYR A 8 -1.271 1.992 8.830 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.912 3.228 10.937 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.230 2.332 11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.098 4.055 11.088 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.941 5.542 12.410 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.569 1.633 13.552 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.863 5.888 14.691 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.492 1.953 15.833 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.673 3.265 17.170 1.00 0.00 H new ATOM 141 N GLY A 9 -2.553 4.228 8.271 1.00 0.00 N ATOM 142 CA GLY A 9 -2.499 5.206 7.206 1.00 0.00 C ATOM 143 C GLY A 9 -1.051 5.513 6.886 1.00 0.00 C ATOM 144 O GLY A 9 -0.356 4.688 6.293 1.00 0.00 O ATOM 0 H GLY A 9 -3.111 3.405 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.007 4.825 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.019 6.116 7.505 1.00 0.00 H new ATOM 148 N THR A 10 -0.596 6.690 7.269 1.00 0.00 N ATOM 149 CA THR A 10 0.472 7.400 6.573 1.00 0.00 C ATOM 150 C THR A 10 1.889 7.024 7.020 1.00 0.00 C ATOM 151 O THR A 10 2.803 7.855 6.990 1.00 0.00 O ATOM 152 CB THR A 10 0.207 8.910 6.635 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.449 9.316 7.832 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.674 9.306 5.441 1.00 0.00 C ATOM 0 H THR A 10 -0.958 7.190 8.081 1.00 0.00 H new ATOM 0 HA THR A 10 0.446 7.076 5.533 1.00 0.00 H new ATOM 0 HB THR A 10 1.177 9.407 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.589 10.286 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.870 10.378 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.160 9.059 4.512 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.618 8.763 5.489 1.00 0.00 H new ATOM 162 N ASP A 11 2.127 5.742 7.299 1.00 0.00 N ATOM 163 CA ASP A 11 3.368 5.299 7.925 1.00 0.00 C ATOM 164 C ASP A 11 4.042 4.179 7.117 1.00 0.00 C ATOM 165 O ASP A 11 4.638 3.251 7.656 1.00 0.00 O ATOM 166 CB ASP A 11 3.037 4.931 9.385 1.00 0.00 C ATOM 167 CG ASP A 11 4.237 4.486 10.217 1.00 0.00 C ATOM 168 OD1 ASP A 11 5.134 5.313 10.489 1.00 0.00 O ATOM 169 OD2 ASP A 11 4.259 3.322 10.678 1.00 0.00 O ATOM 0 H ASP A 11 1.469 4.989 7.098 1.00 0.00 H new ATOM 0 HA ASP A 11 4.116 6.092 7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.577 5.793 9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.295 4.132 9.385 1.00 0.00 H new ATOM 174 N HIS A 12 4.001 4.279 5.786 1.00 0.00 N ATOM 175 CA HIS A 12 4.747 3.440 4.848 1.00 0.00 C ATOM 176 C HIS A 12 4.825 4.191 3.508 1.00 0.00 C ATOM 177 O HIS A 12 4.186 5.235 3.393 1.00 0.00 O ATOM 178 CB HIS A 12 4.072 2.060 4.749 1.00 0.00 C ATOM 179 CG HIS A 12 3.066 1.901 3.636 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.186 2.856 3.193 1.00 0.00 N ATOM 181 CD2 HIS A 12 2.935 0.820 2.807 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.555 2.368 2.120 1.00 0.00 C ATOM 183 NE2 HIS A 12 1.974 1.130 1.843 1.00 0.00 N ATOM 0 H HIS A 12 3.424 4.975 5.315 1.00 0.00 H new ATOM 0 HA HIS A 12 5.767 3.252 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.848 1.305 4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.574 1.851 5.696 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.039 3.776 3.609 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.479 -0.110 2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.807 2.903 1.553 1.00 0.00 H new ATOM 191 N PRO A 13 5.587 3.751 2.497 1.00 0.00 N ATOM 192 CA PRO A 13 5.687 4.499 1.251 1.00 0.00 C ATOM 193 C PRO A 13 4.477 4.314 0.352 1.00 0.00 C ATOM 194 O PRO A 13 3.689 3.428 0.595 1.00 0.00 O ATOM 195 CB PRO A 13 6.929 3.944 0.590 1.00 0.00 C ATOM 196 CG PRO A 13 7.092 2.514 1.110 1.00 0.00 C ATOM 197 CD PRO A 13 6.304 2.487 2.418 1.00 0.00 C ATOM 0 HA PRO A 13 5.734 5.572 1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.829 3.954 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.802 4.548 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.703 1.787 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.141 2.269 1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.610 1.646 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.972 2.367 3.271 1.00 0.00 H new ATOM 205 N VAL A 14 4.384 5.127 -0.704 1.00 0.00 N ATOM 206 CA VAL A 14 3.494 5.119 -1.854 1.00 0.00 C ATOM 207 C VAL A 14 3.670 6.519 -2.419 1.00 0.00 C ATOM 208 O VAL A 14 4.168 6.677 -3.518 1.00 0.00 O ATOM 209 CB VAL A 14 2.040 4.697 -1.505 1.00 0.00 C ATOM 210 CG1 VAL A 14 0.959 5.271 -2.429 1.00 0.00 C ATOM 211 CG2 VAL A 14 1.875 3.169 -1.515 1.00 0.00 C ATOM 0 H VAL A 14 5.027 5.916 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 14 3.735 4.361 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 14 1.892 5.113 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.021 4.920 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.986 6.360 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.142 4.942 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.845 2.913 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.116 2.784 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.547 2.726 -0.780 1.00 0.00 H new ATOM 221 N GLU A 15 3.448 7.551 -1.616 1.00 0.00 N ATOM 222 CA GLU A 15 3.247 8.921 -2.085 1.00 0.00 C ATOM 223 C GLU A 15 3.837 9.927 -1.111 1.00 0.00 C ATOM 224 O GLU A 15 3.360 11.044 -1.004 1.00 0.00 O ATOM 225 CB GLU A 15 1.742 9.135 -2.386 1.00 0.00 C ATOM 226 CG GLU A 15 1.445 8.576 -3.776 1.00 0.00 C ATOM 227 CD GLU A 15 0.058 8.923 -4.315 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.178 10.071 -4.761 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.783 8.005 -4.382 1.00 0.00 O ATOM 0 H GLU A 15 3.401 7.461 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 15 3.788 9.087 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.130 8.633 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.493 10.195 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.196 8.950 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.549 7.491 -3.748 1.00 0.00 H new ATOM 236 N LYS A 16 4.899 9.540 -0.400 1.00 0.00 N ATOM 237 CA LYS A 16 5.681 10.428 0.448 1.00 0.00 C ATOM 238 C LYS A 16 6.863 9.680 1.010 1.00 0.00 C ATOM 239 O LYS A 16 7.977 9.909 0.560 1.00 0.00 O ATOM 240 CB LYS A 16 4.830 11.033 1.575 1.00 0.00 C ATOM 241 CG LYS A 16 5.287 12.456 1.872 1.00 0.00 C ATOM 242 CD LYS A 16 4.894 13.451 0.761 1.00 0.00 C ATOM 243 CE LYS A 16 4.966 14.887 1.282 1.00 0.00 C ATOM 244 NZ LYS A 16 3.897 15.148 2.273 1.00 0.00 N ATOM 0 H LYS A 16 5.242 8.579 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 16 6.038 11.258 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.779 11.033 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.914 10.421 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.853 12.783 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.370 12.467 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.560 13.334 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.885 13.235 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.940 15.063 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.873 15.584 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.710 16.170 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.030 14.650 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.200 14.808 3.208 1.00 0.00 H new ATOM 258 N LEU A 17 6.614 8.682 1.859 1.00 0.00 N ATOM 259 CA LEU A 17 7.622 7.820 2.449 1.00 0.00 C ATOM 260 C LEU A 17 8.463 7.160 1.349 1.00 0.00 C ATOM 261 O LEU A 17 9.656 6.919 1.523 1.00 0.00 O ATOM 262 CB LEU A 17 7.003 6.848 3.473 1.00 0.00 C ATOM 263 CG LEU A 17 7.429 7.191 4.913 1.00 0.00 C ATOM 264 CD1 LEU A 17 6.526 6.495 5.932 1.00 0.00 C ATOM 265 CD2 LEU A 17 8.888 6.797 5.164 1.00 0.00 C ATOM 0 H LEU A 17 5.668 8.449 2.161 1.00 0.00 H new ATOM 0 HA LEU A 17 8.321 8.416 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.916 6.883 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.307 5.828 3.237 1.00 0.00 H new ATOM 0 HG LEU A 17 7.331 8.270 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.848 6.754 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.496 6.819 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.590 5.415 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.162 7.050 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.007 5.724 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.535 7.336 4.471 1.00 0.00 H new ATOM 277 N LYS A 18 7.870 6.956 0.163 1.00 0.00 N ATOM 278 CA LYS A 18 8.569 6.427 -1.007 1.00 0.00 C ATOM 279 C LYS A 18 9.699 7.365 -1.441 1.00 0.00 C ATOM 280 O LYS A 18 10.737 6.925 -1.888 1.00 0.00 O ATOM 281 CB LYS A 18 7.577 6.091 -2.149 1.00 0.00 C ATOM 282 CG LYS A 18 7.605 6.993 -3.392 1.00 0.00 C ATOM 283 CD LYS A 18 6.915 8.337 -3.128 1.00 0.00 C ATOM 284 CE LYS A 18 7.286 9.439 -4.118 1.00 0.00 C ATOM 285 NZ LYS A 18 7.459 8.973 -5.510 1.00 0.00 N ATOM 0 H LYS A 18 6.885 7.157 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 18 9.042 5.484 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.767 5.067 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.568 6.114 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.638 7.166 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.112 6.486 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.835 8.189 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.167 8.670 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.511 10.206 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.211 9.912 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.759 9.769 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.183 8.227 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.557 8.595 -5.864 1.00 0.00 H new ATOM 299 N ILE A 19 9.512 8.674 -1.342 1.00 0.00 N ATOM 300 CA ILE A 19 10.483 9.660 -1.786 1.00 0.00 C ATOM 301 C ILE A 19 11.669 9.646 -0.819 1.00 0.00 C ATOM 302 O ILE A 19 12.802 9.943 -1.194 1.00 0.00 O ATOM 303 CB ILE A 19 9.734 11.015 -1.929 1.00 0.00 C ATOM 304 CG1 ILE A 19 9.951 11.634 -3.321 1.00 0.00 C ATOM 305 CG2 ILE A 19 9.967 12.062 -0.834 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.780 12.543 -3.701 1.00 0.00 C ATOM 0 H ILE A 19 8.668 9.085 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 19 10.916 9.447 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 19 8.691 10.727 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.879 12.206 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.058 10.843 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.386 12.957 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.655 11.657 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.026 12.317 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.956 12.969 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.858 11.962 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.691 13.346 -2.970 1.00 0.00 H new ATOM 318 N ARG A 20 11.417 9.235 0.427 1.00 0.00 N ATOM 319 CA ARG A 20 12.413 9.047 1.464 1.00 0.00 C ATOM 320 C ARG A 20 13.223 7.764 1.215 1.00 0.00 C ATOM 321 O ARG A 20 14.389 7.706 1.603 1.00 0.00 O ATOM 322 CB ARG A 20 11.747 9.020 2.862 1.00 0.00 C ATOM 323 CG ARG A 20 10.424 9.802 3.045 1.00 0.00 C ATOM 324 CD ARG A 20 10.325 11.330 2.977 1.00 0.00 C ATOM 325 NE ARG A 20 11.575 11.976 2.530 1.00 0.00 N ATOM 326 CZ ARG A 20 12.648 12.219 3.296 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.673 11.903 4.586 1.00 0.00 N ATOM 328 NH2 ARG A 20 13.723 12.780 2.760 1.00 0.00 N ATOM 0 H ARG A 20 10.473 9.018 0.745 1.00 0.00 H new ATOM 0 HA ARG A 20 13.102 9.891 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.560 7.979 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.467 9.406 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.734 9.417 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.029 9.513 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.519 11.605 2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.057 11.714 3.961 1.00 0.00 H new ATOM 0 HE ARG A 20 11.627 12.263 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.861 11.463 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.504 12.100 5.143 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.731 13.024 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.542 12.967 3.338 1.00 0.00 H new ATOM 342 N SER A 21 12.621 6.729 0.617 1.00 0.00 N ATOM 343 CA SER A 21 13.232 5.446 0.270 1.00 0.00 C ATOM 344 C SER A 21 12.249 4.654 -0.610 1.00 0.00 C ATOM 345 O SER A 21 11.335 4.029 -0.067 1.00 0.00 O ATOM 346 CB SER A 21 13.524 4.641 1.550 1.00 0.00 C ATOM 347 OG SER A 21 14.626 5.156 2.281 1.00 0.00 O ATOM 0 H SER A 21 11.638 6.770 0.348 1.00 0.00 H new ATOM 0 HA SER A 21 14.166 5.619 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.639 4.643 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.723 3.603 1.284 1.00 0.00 H new ATOM 0 HG SER A 21 14.839 6.057 1.960 1.00 0.00 H new ATOM 353 N ALA A 22 12.389 4.702 -1.939 1.00 0.00 N ATOM 354 CA ALA A 22 11.752 3.810 -2.912 1.00 0.00 C ATOM 355 C ALA A 22 12.264 4.147 -4.307 1.00 0.00 C ATOM 356 O ALA A 22 12.520 5.316 -4.602 1.00 0.00 O ATOM 357 CB ALA A 22 10.216 3.956 -2.954 1.00 0.00 C ATOM 0 H ALA A 22 12.981 5.401 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 22 11.999 2.794 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.805 3.269 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.801 3.723 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.955 4.979 -3.225 1.00 0.00 H new ATOM 363 N LYS A 23 12.219 3.174 -5.218 1.00 0.00 N ATOM 364 CA LYS A 23 12.416 3.363 -6.654 1.00 0.00 C ATOM 365 C LYS A 23 11.223 2.853 -7.440 1.00 0.00 C ATOM 366 O LYS A 23 10.169 2.634 -6.847 1.00 0.00 O ATOM 367 CB LYS A 23 13.781 2.800 -7.097 1.00 0.00 C ATOM 368 CG LYS A 23 14.493 3.799 -8.028 1.00 0.00 C ATOM 369 CD LYS A 23 15.163 4.929 -7.231 1.00 0.00 C ATOM 370 CE LYS A 23 16.445 4.477 -6.518 1.00 0.00 C ATOM 371 NZ LYS A 23 17.549 4.222 -7.465 1.00 0.00 N ATOM 0 H LYS A 23 12.039 2.202 -4.968 1.00 0.00 H new ATOM 0 HA LYS A 23 12.462 4.428 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.401 2.601 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.641 1.849 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.243 3.275 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.773 4.223 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.399 5.752 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.459 5.313 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.750 5.242 -5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.241 3.571 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.431 4.069 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.333 3.377 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.661 5.041 -8.096 1.00 0.00 H new ATOM 385 N ALA A 24 11.338 2.761 -8.765 1.00 0.00 N ATOM 386 CA ALA A 24 10.286 2.170 -9.573 1.00 0.00 C ATOM 387 C ALA A 24 10.273 0.662 -9.374 1.00 0.00 C ATOM 388 O ALA A 24 9.219 0.033 -9.414 1.00 0.00 O ATOM 389 CB ALA A 24 10.544 2.403 -11.055 1.00 0.00 C ATOM 0 H ALA A 24 12.147 3.088 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 24 9.345 2.628 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.742 1.951 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.579 3.474 -11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.496 1.951 -11.334 1.00 0.00 H new ATOM 395 N GLU A 25 11.455 0.068 -9.202 1.00 0.00 N ATOM 396 CA GLU A 25 11.589 -1.287 -8.712 1.00 0.00 C ATOM 397 C GLU A 25 11.628 -1.141 -7.204 1.00 0.00 C ATOM 398 O GLU A 25 12.680 -1.232 -6.564 1.00 0.00 O ATOM 399 CB GLU A 25 12.807 -2.053 -9.287 1.00 0.00 C ATOM 400 CG GLU A 25 12.374 -3.284 -10.100 1.00 0.00 C ATOM 401 CD GLU A 25 11.772 -4.432 -9.268 1.00 0.00 C ATOM 402 OE1 GLU A 25 10.798 -4.193 -8.523 1.00 0.00 O ATOM 403 OE2 GLU A 25 12.199 -5.597 -9.454 1.00 0.00 O ATOM 0 H GLU A 25 12.345 0.524 -9.402 1.00 0.00 H new ATOM 0 HA GLU A 25 10.757 -1.910 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.390 -1.385 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.458 -2.367 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.641 -2.971 -10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.238 -3.664 -10.645 1.00 0.00 H new ATOM 410 N ASP A 26 10.480 -0.787 -6.647 1.00 0.00 N ATOM 411 CA ASP A 26 10.188 -1.063 -5.263 1.00 0.00 C ATOM 412 C ASP A 26 8.781 -1.643 -5.126 1.00 0.00 C ATOM 413 O ASP A 26 8.002 -1.661 -6.087 1.00 0.00 O ATOM 414 CB ASP A 26 10.410 0.200 -4.441 1.00 0.00 C ATOM 415 CG ASP A 26 11.150 -0.160 -3.160 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.735 -1.109 -2.462 1.00 0.00 O ATOM 417 OD2 ASP A 26 12.217 0.451 -2.921 1.00 0.00 O ATOM 0 H ASP A 26 9.733 -0.303 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 26 10.865 -1.822 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.985 0.926 -5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.454 0.667 -4.204 1.00 0.00 H new ATOM 422 N LYS A 27 8.451 -2.155 -3.942 1.00 0.00 N ATOM 423 CA LYS A 27 7.336 -3.082 -3.742 1.00 0.00 C ATOM 424 C LYS A 27 6.521 -2.624 -2.546 1.00 0.00 C ATOM 425 O LYS A 27 7.123 -2.347 -1.512 1.00 0.00 O ATOM 426 CB LYS A 27 7.897 -4.487 -3.481 1.00 0.00 C ATOM 427 CG LYS A 27 8.694 -5.064 -4.659 1.00 0.00 C ATOM 428 CD LYS A 27 9.390 -6.372 -4.269 1.00 0.00 C ATOM 429 CE LYS A 27 9.778 -7.100 -5.553 1.00 0.00 C ATOM 430 NZ LYS A 27 10.353 -8.430 -5.301 1.00 0.00 N ATOM 0 H LYS A 27 8.956 -1.936 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 27 6.700 -3.103 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.540 -4.454 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.072 -5.160 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.026 -5.242 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.437 -4.338 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.274 -6.168 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.727 -6.991 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.897 -7.204 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.498 -6.496 -6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.598 -8.879 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.210 -8.333 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.658 -9.019 -4.799 1.00 0.00 H new ATOM 444 N ILE A 28 5.199 -2.463 -2.682 1.00 0.00 N ATOM 445 CA ILE A 28 4.358 -1.954 -1.604 1.00 0.00 C ATOM 446 C ILE A 28 2.915 -2.448 -1.796 1.00 0.00 C ATOM 447 O ILE A 28 2.502 -2.753 -2.918 1.00 0.00 O ATOM 448 CB ILE A 28 4.418 -0.405 -1.530 1.00 0.00 C ATOM 449 CG1 ILE A 28 5.694 0.297 -2.065 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.269 -0.036 -0.046 1.00 0.00 C ATOM 451 CD1 ILE A 28 5.501 1.793 -2.273 1.00 0.00 C ATOM 0 H ILE A 28 4.690 -2.682 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 28 4.734 -2.335 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 28 3.626 -0.053 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.513 0.135 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.987 -0.162 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.304 1.048 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.315 -0.408 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.082 -0.486 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.426 2.231 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.702 1.960 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.237 2.261 -1.325 1.00 0.00 H new ATOM 463 N VAL A 29 2.145 -2.480 -0.704 1.00 0.00 N ATOM 464 CA VAL A 29 0.720 -2.813 -0.604 1.00 0.00 C ATOM 465 C VAL A 29 0.135 -2.055 0.604 1.00 0.00 C ATOM 466 O VAL A 29 0.885 -1.806 1.548 1.00 0.00 O ATOM 467 CB VAL A 29 0.521 -4.341 -0.453 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.929 -4.739 -0.102 1.00 0.00 C ATOM 469 CG2 VAL A 29 0.900 -5.075 -1.744 1.00 0.00 C ATOM 0 H VAL A 29 2.536 -2.254 0.211 1.00 0.00 H new ATOM 0 HA VAL A 29 0.201 -2.513 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 29 1.173 -4.631 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.997 -5.823 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.214 -4.277 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.601 -4.398 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.751 -6.146 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.273 -4.720 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.946 -4.881 -1.979 1.00 0.00 H new ATOM 479 N LEU A 30 -1.172 -1.737 0.612 1.00 0.00 N ATOM 480 CA LEU A 30 -1.874 -0.983 1.661 1.00 0.00 C ATOM 481 C LEU A 30 -2.960 -1.832 2.305 1.00 0.00 C ATOM 482 O LEU A 30 -3.671 -2.518 1.571 1.00 0.00 O ATOM 483 CB LEU A 30 -2.540 0.327 1.160 1.00 0.00 C ATOM 484 CG LEU A 30 -2.280 0.856 -0.259 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.270 1.978 -0.596 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.865 1.409 -0.381 1.00 0.00 C ATOM 0 H LEU A 30 -1.794 -2.012 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.096 -0.718 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.617 0.195 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.251 1.117 1.853 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.406 0.024 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.075 2.344 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.288 1.594 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.151 2.795 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.704 1.778 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.731 2.226 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.146 0.619 -0.164 1.00 0.00 H new ATOM 498 N ILE A 31 -3.128 -1.731 3.634 1.00 0.00 N ATOM 499 CA ILE A 31 -4.175 -2.454 4.360 1.00 0.00 C ATOM 500 C ILE A 31 -4.856 -1.526 5.381 1.00 0.00 C ATOM 501 O ILE A 31 -4.491 -0.362 5.471 1.00 0.00 O ATOM 502 CB ILE A 31 -3.599 -3.767 4.949 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.033 -3.571 6.360 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.589 -4.484 4.019 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.273 -4.780 6.863 1.00 0.00 C ATOM 0 H ILE A 31 -2.542 -1.147 4.230 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.971 -2.763 3.682 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.453 -4.440 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.371 -2.705 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.850 -3.350 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.232 -5.393 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.078 -4.740 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.745 -3.823 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.896 -4.581 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.938 -5.643 6.889 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.436 -4.987 6.196 1.00 0.00 H new ATOM 517 N GLN A 32 -5.806 -2.020 6.173 1.00 0.00 N ATOM 518 CA GLN A 32 -6.605 -1.377 7.221 1.00 0.00 C ATOM 519 C GLN A 32 -6.822 0.126 7.086 1.00 0.00 C ATOM 520 O GLN A 32 -7.870 0.556 6.637 1.00 0.00 O ATOM 521 CB GLN A 32 -6.040 -1.644 8.615 1.00 0.00 C ATOM 522 CG GLN A 32 -6.025 -3.099 9.017 1.00 0.00 C ATOM 523 CD GLN A 32 -7.431 -3.701 9.099 1.00 0.00 C ATOM 524 OE1 GLN A 32 -8.227 -3.394 9.989 1.00 0.00 O ATOM 525 NE2 GLN A 32 -7.778 -4.532 8.134 1.00 0.00 N ATOM 0 H GLN A 32 -6.067 -3.002 6.086 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.579 -1.847 7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.022 -1.257 8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.626 -1.085 9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.433 -3.665 8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.533 -3.200 9.985 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.107 -4.776 7.405 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.717 -4.930 8.117 1.00 0.00 H new ATOM 534 N ASN A 33 -5.881 0.942 7.570 1.00 0.00 N ATOM 535 CA ASN A 33 -5.937 2.396 7.460 1.00 0.00 C ATOM 536 C ASN A 33 -4.885 2.857 6.481 1.00 0.00 C ATOM 537 O ASN A 33 -5.063 3.910 5.889 1.00 0.00 O ATOM 538 CB ASN A 33 -5.738 3.109 8.804 1.00 0.00 C ATOM 539 CG ASN A 33 -6.703 2.571 9.841 1.00 0.00 C ATOM 540 OD1 ASN A 33 -7.889 2.897 9.815 1.00 0.00 O ATOM 541 ND2 ASN A 33 -6.240 1.671 10.695 1.00 0.00 N ATOM 0 H ASN A 33 -5.050 0.603 8.055 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.936 2.657 7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.713 2.970 9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.890 4.181 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.873 1.225 11.359 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.250 1.424 10.689 1.00 0.00 H new ATOM 548 N GLY A 34 -3.828 2.066 6.270 1.00 0.00 N ATOM 549 CA GLY A 34 -2.913 2.219 5.140 1.00 0.00 C ATOM 550 C GLY A 34 -3.629 2.486 3.813 1.00 0.00 C ATOM 551 O GLY A 34 -3.110 3.224 2.984 1.00 0.00 O ATOM 0 H GLY A 34 -3.583 1.293 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.226 3.040 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.310 1.316 5.044 1.00 0.00 H new ATOM 555 N VAL A 35 -4.835 1.955 3.589 1.00 0.00 N ATOM 556 CA VAL A 35 -5.616 2.266 2.389 1.00 0.00 C ATOM 557 C VAL A 35 -5.820 3.771 2.132 1.00 0.00 C ATOM 558 O VAL A 35 -6.039 4.141 0.977 1.00 0.00 O ATOM 559 CB VAL A 35 -6.939 1.491 2.364 1.00 0.00 C ATOM 560 CG1 VAL A 35 -6.713 -0.012 2.217 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.818 1.730 3.598 1.00 0.00 C ATOM 0 H VAL A 35 -5.293 1.304 4.227 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.007 1.924 1.552 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.466 1.880 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.675 -0.525 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.183 -0.211 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.120 -0.375 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.736 1.149 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.279 1.422 4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.065 2.789 3.669 1.00 0.00 H new ATOM 571 N PHE A 36 -5.666 4.646 3.141 1.00 0.00 N ATOM 572 CA PHE A 36 -5.600 6.096 2.953 1.00 0.00 C ATOM 573 C PHE A 36 -4.496 6.581 1.995 1.00 0.00 C ATOM 574 O PHE A 36 -4.515 7.739 1.592 1.00 0.00 O ATOM 575 CB PHE A 36 -5.460 6.786 4.317 1.00 0.00 C ATOM 576 CG PHE A 36 -6.792 7.110 4.967 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.502 6.133 5.691 1.00 0.00 C ATOM 578 CD2 PHE A 36 -7.332 8.403 4.840 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.724 6.455 6.303 1.00 0.00 C ATOM 580 CE2 PHE A 36 -8.553 8.725 5.456 1.00 0.00 C ATOM 581 CZ PHE A 36 -9.248 7.753 6.194 1.00 0.00 C ATOM 0 H PHE A 36 -5.584 4.359 4.116 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.536 6.374 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.885 6.143 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.891 7.707 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.105 5.132 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.806 9.151 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.262 5.702 6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.958 9.722 5.362 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.182 8.003 6.676 1.00 0.00 H new ATOM 591 N TRP A 37 -3.541 5.736 1.610 1.00 0.00 N ATOM 592 CA TRP A 37 -2.528 6.096 0.622 1.00 0.00 C ATOM 593 C TRP A 37 -3.093 6.181 -0.800 1.00 0.00 C ATOM 594 O TRP A 37 -2.515 6.886 -1.626 1.00 0.00 O ATOM 595 CB TRP A 37 -1.347 5.121 0.669 1.00 0.00 C ATOM 596 CG TRP A 37 -0.396 5.369 1.790 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.338 4.679 2.945 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.633 6.392 1.884 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.594 5.262 3.776 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.228 6.329 3.172 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.101 7.387 1.010 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.218 7.238 3.575 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.055 8.335 1.420 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.634 8.245 2.695 1.00 0.00 C ATOM 0 H TRP A 37 -3.449 4.787 1.973 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.177 7.093 0.888 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.732 4.105 0.752 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.803 5.180 -0.274 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.929 3.807 3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.792 4.943 4.724 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.719 7.425 0.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.657 7.162 4.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.343 9.134 0.752 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.396 8.948 2.996 1.00 0.00 H new ATOM 615 N ALA A 38 -4.199 5.504 -1.124 1.00 0.00 N ATOM 616 CA ALA A 38 -4.743 5.470 -2.486 1.00 0.00 C ATOM 617 C ALA A 38 -5.587 6.695 -2.816 1.00 0.00 C ATOM 618 O ALA A 38 -6.566 6.578 -3.554 1.00 0.00 O ATOM 619 CB ALA A 38 -5.576 4.196 -2.620 1.00 0.00 C ATOM 0 H ALA A 38 -4.742 4.964 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.915 5.478 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.996 4.140 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.943 3.327 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.384 4.211 -1.889 1.00 0.00 H new ATOM 625 N LEU A 39 -5.155 7.856 -2.326 1.00 0.00 N ATOM 626 CA LEU A 39 -5.928 9.083 -2.161 1.00 0.00 C ATOM 627 C LEU A 39 -5.053 10.118 -1.437 1.00 0.00 C ATOM 628 O LEU A 39 -5.502 10.845 -0.552 1.00 0.00 O ATOM 629 CB LEU A 39 -7.289 8.772 -1.502 1.00 0.00 C ATOM 630 CG LEU A 39 -7.277 7.892 -0.230 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.625 8.689 1.028 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.210 6.681 -0.372 1.00 0.00 C ATOM 0 H LEU A 39 -4.191 7.970 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.193 9.532 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.767 9.719 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.919 8.283 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.256 7.527 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.604 8.028 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.898 9.490 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.622 9.118 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.175 6.086 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.230 7.026 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.888 6.070 -1.216 1.00 0.00 H new ATOM 644 N GLU A 40 -3.771 10.141 -1.820 1.00 0.00 N ATOM 645 CA GLU A 40 -2.740 11.118 -1.486 1.00 0.00 C ATOM 646 C GLU A 40 -2.507 12.034 -2.692 1.00 0.00 C ATOM 647 O GLU A 40 -3.220 11.954 -3.685 1.00 0.00 O ATOM 648 CB GLU A 40 -1.454 10.354 -1.131 1.00 0.00 C ATOM 649 CG GLU A 40 -1.559 9.702 0.244 1.00 0.00 C ATOM 650 CD GLU A 40 -1.470 10.699 1.400 1.00 0.00 C ATOM 651 OE1 GLU A 40 -0.672 11.668 1.336 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.251 10.556 2.366 1.00 0.00 O ATOM 0 H GLU A 40 -3.401 9.409 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.044 11.732 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.262 9.590 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.606 11.038 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.504 9.164 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.764 8.964 0.349 1.00 0.00 H new ATOM 659 N GLU A 41 -1.508 12.909 -2.640 1.00 0.00 N ATOM 660 CA GLU A 41 -1.296 13.958 -3.630 1.00 0.00 C ATOM 661 C GLU A 41 0.145 14.019 -4.100 1.00 0.00 C ATOM 662 O GLU A 41 0.803 15.055 -4.015 1.00 0.00 O ATOM 663 CB GLU A 41 -1.846 15.282 -3.095 1.00 0.00 C ATOM 664 CG GLU A 41 -1.298 15.704 -1.716 1.00 0.00 C ATOM 665 CD GLU A 41 -1.986 16.965 -1.205 1.00 0.00 C ATOM 666 OE1 GLU A 41 -3.231 17.064 -1.299 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.295 17.884 -0.703 1.00 0.00 O ATOM 0 H GLU A 41 -0.811 12.909 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.856 13.724 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.622 16.069 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.932 15.208 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.444 14.894 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.224 15.877 -1.787 1.00 0.00 H new ATOM 674 N LEU A 42 0.635 12.886 -4.592 1.00 0.00 N ATOM 675 CA LEU A 42 2.021 12.679 -4.972 1.00 0.00 C ATOM 676 C LEU A 42 2.007 11.670 -6.124 1.00 0.00 C ATOM 677 O LEU A 42 1.135 11.748 -6.991 1.00 0.00 O ATOM 678 CB LEU A 42 2.776 12.227 -3.707 1.00 0.00 C ATOM 679 CG LEU A 42 4.043 13.023 -3.344 1.00 0.00 C ATOM 680 CD1 LEU A 42 5.131 12.915 -4.404 1.00 0.00 C ATOM 681 CD2 LEU A 42 3.747 14.481 -2.994 1.00 0.00 C ATOM 0 H LEU A 42 0.055 12.060 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 42 2.540 13.566 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.088 12.276 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.054 11.180 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 42 4.431 12.553 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.000 13.496 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.418 11.870 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.755 13.301 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.678 14.992 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.279 14.972 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.073 14.520 -2.138 1.00 0.00 H new ATOM 693 N GLU A 43 2.956 10.740 -6.173 1.00 0.00 N ATOM 694 CA GLU A 43 2.989 9.628 -7.106 1.00 0.00 C ATOM 695 C GLU A 43 3.901 8.534 -6.542 1.00 0.00 C ATOM 696 O GLU A 43 4.768 8.806 -5.707 1.00 0.00 O ATOM 697 CB GLU A 43 3.503 10.118 -8.469 1.00 0.00 C ATOM 698 CG GLU A 43 4.711 11.054 -8.333 1.00 0.00 C ATOM 699 CD GLU A 43 5.394 11.306 -9.664 1.00 0.00 C ATOM 700 OE1 GLU A 43 4.787 11.937 -10.554 1.00 0.00 O ATOM 701 OE2 GLU A 43 6.570 10.892 -9.806 1.00 0.00 O ATOM 0 H GLU A 43 3.753 10.744 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 43 1.988 9.219 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.779 9.259 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.700 10.638 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.386 12.004 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.428 10.621 -7.635 1.00 0.00 H new ATOM 708 N THR A 44 3.765 7.324 -7.067 1.00 0.00 N ATOM 709 CA THR A 44 4.672 6.186 -6.938 1.00 0.00 C ATOM 710 C THR A 44 5.078 5.761 -8.345 1.00 0.00 C ATOM 711 O THR A 44 4.231 5.691 -9.239 1.00 0.00 O ATOM 712 CB THR A 44 3.997 5.019 -6.191 1.00 0.00 C ATOM 713 OG1 THR A 44 4.900 3.954 -6.053 1.00 0.00 O ATOM 714 CG2 THR A 44 2.722 4.518 -6.858 1.00 0.00 C ATOM 0 H THR A 44 2.954 7.092 -7.640 1.00 0.00 H new ATOM 0 HA THR A 44 5.549 6.470 -6.356 1.00 0.00 H new ATOM 0 HB THR A 44 3.707 5.410 -5.216 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.612 3.206 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.305 3.697 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.997 5.330 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.951 4.168 -7.865 1.00 0.00 H new ATOM 722 N PRO A 45 6.358 5.431 -8.558 1.00 0.00 N ATOM 723 CA PRO A 45 6.751 4.569 -9.642 1.00 0.00 C ATOM 724 C PRO A 45 6.814 3.086 -9.211 1.00 0.00 C ATOM 725 O PRO A 45 6.909 2.216 -10.078 1.00 0.00 O ATOM 726 CB PRO A 45 8.117 5.113 -10.023 1.00 0.00 C ATOM 727 CG PRO A 45 8.733 5.567 -8.706 1.00 0.00 C ATOM 728 CD PRO A 45 7.531 5.840 -7.802 1.00 0.00 C ATOM 0 HA PRO A 45 6.043 4.572 -10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.728 4.349 -10.503 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.031 5.941 -10.727 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.382 4.799 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.342 6.461 -8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.609 5.280 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.475 6.896 -7.536 1.00 0.00 H new ATOM 736 N ALA A 46 6.760 2.777 -7.907 1.00 0.00 N ATOM 737 CA ALA A 46 6.773 1.427 -7.348 1.00 0.00 C ATOM 738 C ALA A 46 5.382 0.819 -7.495 1.00 0.00 C ATOM 739 O ALA A 46 4.401 1.555 -7.682 1.00 0.00 O ATOM 740 CB ALA A 46 7.119 1.506 -5.851 1.00 0.00 C ATOM 0 H ALA A 46 6.704 3.496 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 46 7.510 0.817 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.131 0.502 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.101 1.963 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.371 2.109 -5.336 1.00 0.00 H new ATOM 746 N LYS A 47 5.254 -0.506 -7.349 1.00 0.00 N ATOM 747 CA LYS A 47 3.954 -1.119 -7.477 1.00 0.00 C ATOM 748 C LYS A 47 3.240 -0.874 -6.166 1.00 0.00 C ATOM 749 O LYS A 47 3.844 -0.885 -5.091 1.00 0.00 O ATOM 750 CB LYS A 47 4.065 -2.601 -7.809 1.00 0.00 C ATOM 751 CG LYS A 47 5.059 -3.309 -6.887 1.00 0.00 C ATOM 752 CD LYS A 47 4.973 -4.820 -6.876 1.00 0.00 C ATOM 753 CE LYS A 47 4.867 -5.478 -8.258 1.00 0.00 C ATOM 754 NZ LYS A 47 6.123 -5.394 -9.030 1.00 0.00 N ATOM 0 H LYS A 47 6.021 -1.148 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 47 3.391 -0.686 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.085 -3.070 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.380 -2.720 -8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.069 -3.022 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.907 -2.946 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.854 -5.214 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.107 -5.114 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.590 -6.525 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.066 -5.000 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.994 -5.854 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.377 -4.396 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.884 -5.873 -8.508 1.00 0.00 H new ATOM 768 N VAL A 48 1.955 -0.601 -6.282 1.00 0.00 N ATOM 769 CA VAL A 48 1.108 -0.205 -5.189 1.00 0.00 C ATOM 770 C VAL A 48 -0.217 -0.866 -5.474 1.00 0.00 C ATOM 771 O VAL A 48 -0.718 -0.781 -6.592 1.00 0.00 O ATOM 772 CB VAL A 48 1.041 1.331 -5.141 1.00 0.00 C ATOM 773 CG1 VAL A 48 -0.166 1.835 -4.342 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.354 1.854 -4.537 1.00 0.00 C ATOM 0 H VAL A 48 1.461 -0.652 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 48 1.465 -0.510 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 48 0.914 1.709 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.170 2.925 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.085 1.471 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.103 1.468 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.327 2.943 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.476 1.454 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.192 1.536 -5.158 1.00 0.00 H new ATOM 784 N TYR A 49 -0.741 -1.543 -4.463 1.00 0.00 N ATOM 785 CA TYR A 49 -1.972 -2.293 -4.503 1.00 0.00 C ATOM 786 C TYR A 49 -2.606 -2.132 -3.117 1.00 0.00 C ATOM 787 O TYR A 49 -1.867 -2.006 -2.147 1.00 0.00 O ATOM 788 CB TYR A 49 -1.626 -3.760 -4.784 1.00 0.00 C ATOM 789 CG TYR A 49 -0.861 -4.094 -6.069 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.601 -4.405 -7.227 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.552 -4.216 -6.118 1.00 0.00 C ATOM 792 CE1 TYR A 49 -0.985 -4.828 -8.413 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.160 -4.717 -7.282 1.00 0.00 C ATOM 794 CZ TYR A 49 0.412 -5.002 -8.438 1.00 0.00 C ATOM 795 OH TYR A 49 1.052 -5.443 -9.552 1.00 0.00 O ATOM 0 H TYR A 49 -0.290 -1.581 -3.549 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.659 -1.950 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.040 -4.130 -3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.558 -4.325 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.677 -4.315 -7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.154 -3.927 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.575 -5.018 -9.297 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.227 -4.887 -7.289 1.00 0.00 H new ATOM 0 HH TYR A 49 2.014 -5.498 -9.376 1.00 0.00 H new ATOM 805 N ALA A 50 -3.928 -2.145 -2.967 1.00 0.00 N ATOM 806 CA ALA A 50 -4.590 -2.006 -1.659 1.00 0.00 C ATOM 807 C ALA A 50 -5.434 -3.262 -1.401 1.00 0.00 C ATOM 808 O ALA A 50 -5.823 -3.925 -2.365 1.00 0.00 O ATOM 809 CB ALA A 50 -5.471 -0.759 -1.669 1.00 0.00 C ATOM 0 H ALA A 50 -4.577 -2.252 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.850 -1.901 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.963 -0.653 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.856 0.120 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.225 -0.852 -2.451 1.00 0.00 H new ATOM 815 N ILE A 51 -5.750 -3.601 -0.146 1.00 0.00 N ATOM 816 CA ILE A 51 -6.597 -4.741 0.160 1.00 0.00 C ATOM 817 C ILE A 51 -8.034 -4.301 -0.003 1.00 0.00 C ATOM 818 O ILE A 51 -8.533 -3.455 0.737 1.00 0.00 O ATOM 819 CB ILE A 51 -6.263 -5.299 1.555 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.894 -5.983 1.573 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.319 -6.306 2.048 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.577 -6.971 0.446 1.00 0.00 C ATOM 0 H ILE A 51 -5.424 -3.092 0.676 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.422 -5.571 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.254 -4.439 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.130 -5.205 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.796 -6.513 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.040 -6.672 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.291 -5.816 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.375 -7.144 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.575 -7.376 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.303 -7.784 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.627 -6.456 -0.514 1.00 0.00 H new ATOM 834 N LYS A 52 -8.704 -4.896 -0.985 1.00 0.00 N ATOM 835 CA LYS A 52 -10.081 -4.575 -1.273 1.00 0.00 C ATOM 836 C LYS A 52 -10.959 -4.823 -0.048 1.00 0.00 C ATOM 837 O LYS A 52 -11.671 -3.918 0.357 1.00 0.00 O ATOM 838 CB LYS A 52 -10.520 -5.299 -2.552 1.00 0.00 C ATOM 839 CG LYS A 52 -11.758 -4.586 -3.092 1.00 0.00 C ATOM 840 CD LYS A 52 -12.108 -4.953 -4.534 1.00 0.00 C ATOM 841 CE LYS A 52 -12.794 -6.318 -4.635 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.476 -6.468 -5.933 1.00 0.00 N ATOM 0 H LYS A 52 -8.303 -5.609 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.197 -3.511 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.719 -5.287 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.743 -6.345 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.608 -4.821 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.600 -3.509 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.762 -4.188 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.199 -4.960 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.056 -7.111 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.516 -6.428 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.004 -7.364 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.135 -5.676 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.771 -6.470 -6.697 1.00 0.00 H new ATOM 856 N ASP A 53 -10.890 -6.002 0.575 1.00 0.00 N ATOM 857 CA ASP A 53 -11.718 -6.349 1.743 1.00 0.00 C ATOM 858 C ASP A 53 -11.630 -5.303 2.856 1.00 0.00 C ATOM 859 O ASP A 53 -12.673 -4.927 3.394 1.00 0.00 O ATOM 860 CB ASP A 53 -11.339 -7.742 2.272 1.00 0.00 C ATOM 861 CG ASP A 53 -12.239 -8.309 3.380 1.00 0.00 C ATOM 862 OD1 ASP A 53 -13.366 -7.834 3.640 1.00 0.00 O ATOM 863 OD2 ASP A 53 -11.867 -9.365 3.941 1.00 0.00 O ATOM 0 H ASP A 53 -10.258 -6.748 0.286 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.755 -6.365 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.343 -8.440 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.317 -7.701 2.647 1.00 0.00 H new ATOM 868 N ASP A 54 -10.437 -4.785 3.191 1.00 0.00 N ATOM 869 CA ASP A 54 -10.353 -3.738 4.213 1.00 0.00 C ATOM 870 C ASP A 54 -10.640 -2.326 3.697 1.00 0.00 C ATOM 871 O ASP A 54 -11.191 -1.524 4.451 1.00 0.00 O ATOM 872 CB ASP A 54 -9.087 -3.813 5.061 1.00 0.00 C ATOM 873 CG ASP A 54 -7.772 -3.491 4.400 1.00 0.00 C ATOM 874 OD1 ASP A 54 -7.658 -2.448 3.736 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.818 -4.221 4.740 1.00 0.00 O ATOM 0 H ASP A 54 -9.545 -5.065 2.782 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.179 -3.962 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.211 -3.136 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.018 -4.822 5.469 1.00 0.00 H new ATOM 880 N PHE A 55 -10.437 -2.024 2.413 1.00 0.00 N ATOM 881 CA PHE A 55 -10.906 -0.771 1.819 1.00 0.00 C ATOM 882 C PHE A 55 -12.435 -0.685 1.867 1.00 0.00 C ATOM 883 O PHE A 55 -13.025 0.347 2.195 1.00 0.00 O ATOM 884 CB PHE A 55 -10.432 -0.685 0.365 1.00 0.00 C ATOM 885 CG PHE A 55 -10.513 0.696 -0.259 1.00 0.00 C ATOM 886 CD1 PHE A 55 -9.952 1.813 0.390 1.00 0.00 C ATOM 887 CD2 PHE A 55 -11.114 0.867 -1.517 1.00 0.00 C ATOM 888 CE1 PHE A 55 -9.921 3.070 -0.237 1.00 0.00 C ATOM 889 CE2 PHE A 55 -11.119 2.131 -2.127 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.492 3.227 -1.509 1.00 0.00 C ATOM 0 H PHE A 55 -9.947 -2.636 1.760 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.495 0.060 2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.399 -1.029 0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.026 -1.373 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.540 1.702 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.572 0.025 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.460 3.912 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.609 2.263 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.450 4.183 -2.010 1.00 0.00 H new ATOM 900 N LEU A 56 -13.084 -1.814 1.597 1.00 0.00 N ATOM 901 CA LEU A 56 -14.518 -2.002 1.694 1.00 0.00 C ATOM 902 C LEU A 56 -14.973 -1.986 3.147 1.00 0.00 C ATOM 903 O LEU A 56 -16.135 -1.676 3.419 1.00 0.00 O ATOM 904 CB LEU A 56 -14.873 -3.369 1.109 1.00 0.00 C ATOM 905 CG LEU A 56 -14.641 -3.499 -0.402 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.702 -4.989 -0.774 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.739 -2.799 -1.209 1.00 0.00 C ATOM 0 H LEU A 56 -12.598 -2.657 1.291 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.009 -1.193 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.285 -4.132 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.921 -3.579 1.321 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.677 -3.045 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.539 -5.103 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.929 -5.532 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.681 -5.390 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.538 -2.914 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.705 -3.245 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.757 -1.739 -0.956 1.00 0.00 H new ATOM 919 N ALA A 57 -14.091 -2.330 4.087 1.00 0.00 N ATOM 920 CA ALA A 57 -14.344 -2.184 5.508 1.00 0.00 C ATOM 921 C ALA A 57 -14.119 -0.737 5.948 1.00 0.00 C ATOM 922 O ALA A 57 -14.440 -0.389 7.087 1.00 0.00 O ATOM 923 CB ALA A 57 -13.444 -3.121 6.317 1.00 0.00 C ATOM 0 H ALA A 57 -13.174 -2.721 3.873 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.384 -2.451 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.650 -2.995 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.641 -4.154 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.399 -2.882 6.119 1.00 0.00 H new ATOM 929 N ARG A 58 -13.569 0.109 5.067 1.00 0.00 N ATOM 930 CA ARG A 58 -13.264 1.499 5.377 1.00 0.00 C ATOM 931 C ARG A 58 -14.169 2.425 4.569 1.00 0.00 C ATOM 932 O ARG A 58 -13.804 3.582 4.372 1.00 0.00 O ATOM 933 CB ARG A 58 -11.785 1.700 4.964 1.00 0.00 C ATOM 934 CG ARG A 58 -10.749 1.323 6.027 1.00 0.00 C ATOM 935 CD ARG A 58 -10.200 2.574 6.728 1.00 0.00 C ATOM 936 NE ARG A 58 -11.293 3.378 7.290 1.00 0.00 N ATOM 937 CZ ARG A 58 -11.234 4.306 8.242 1.00 0.00 C ATOM 938 NH1 ARG A 58 -10.174 4.448 9.039 1.00 0.00 N ATOM 939 NH2 ARG A 58 -12.255 5.139 8.351 1.00 0.00 N ATOM 0 H ARG A 58 -13.324 -0.161 4.114 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.423 1.727 6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.592 1.110 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.640 2.746 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.203 0.659 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.930 0.773 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.513 2.280 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.629 3.173 6.019 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.219 3.202 6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.368 3.832 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.169 5.173 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.050 5.056 7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.247 5.864 9.068 1.00 0.00 H new ATOM 953 N GLY A 59 -15.422 2.032 4.337 1.00 0.00 N ATOM 954 CA GLY A 59 -16.419 2.858 3.672 1.00 0.00 C ATOM 955 C GLY A 59 -15.940 3.552 2.394 1.00 0.00 C ATOM 956 O GLY A 59 -16.275 4.722 2.208 1.00 0.00 O ATOM 0 H GLY A 59 -15.774 1.115 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.280 2.235 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.764 3.619 4.372 1.00 0.00 H new ATOM 960 N TYR A 60 -15.178 2.884 1.520 1.00 0.00 N ATOM 961 CA TYR A 60 -14.854 3.408 0.202 1.00 0.00 C ATOM 962 C TYR A 60 -15.500 2.515 -0.854 1.00 0.00 C ATOM 963 O TYR A 60 -15.808 1.346 -0.591 1.00 0.00 O ATOM 964 CB TYR A 60 -13.342 3.391 0.008 1.00 0.00 C ATOM 965 CG TYR A 60 -12.534 4.423 0.779 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.023 4.114 2.051 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.203 5.657 0.188 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.256 5.053 2.769 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.451 6.608 0.898 1.00 0.00 C ATOM 970 CZ TYR A 60 -10.984 6.317 2.198 1.00 0.00 C ATOM 971 OH TYR A 60 -10.252 7.250 2.872 1.00 0.00 O ATOM 0 H TYR A 60 -14.773 1.968 1.712 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.223 4.429 0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.977 2.401 0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.135 3.524 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.221 3.144 2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.529 5.874 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.878 4.808 3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.230 7.564 0.448 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.190 6.997 3.817 1.00 0.00 H new ATOM 981 N SER A 61 -15.675 3.040 -2.059 1.00 0.00 N ATOM 982 CA SER A 61 -16.071 2.295 -3.245 1.00 0.00 C ATOM 983 C SER A 61 -14.826 2.064 -4.096 1.00 0.00 C ATOM 984 O SER A 61 -13.826 2.763 -3.935 1.00 0.00 O ATOM 985 CB SER A 61 -17.130 3.112 -3.991 1.00 0.00 C ATOM 986 OG SER A 61 -17.581 2.466 -5.168 1.00 0.00 O ATOM 0 H SER A 61 -15.540 4.034 -2.244 1.00 0.00 H new ATOM 0 HA SER A 61 -16.501 1.325 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.978 3.291 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.717 4.087 -4.251 1.00 0.00 H new ATOM 0 HG SER A 61 -18.256 3.023 -5.609 1.00 0.00 H new ATOM 992 N GLU A 62 -14.897 1.138 -5.058 1.00 0.00 N ATOM 993 CA GLU A 62 -13.717 0.723 -5.812 1.00 0.00 C ATOM 994 C GLU A 62 -13.157 1.916 -6.582 1.00 0.00 C ATOM 995 O GLU A 62 -11.948 2.098 -6.703 1.00 0.00 O ATOM 996 CB GLU A 62 -14.009 -0.424 -6.799 1.00 0.00 C ATOM 997 CG GLU A 62 -14.596 -1.696 -6.162 1.00 0.00 C ATOM 998 CD GLU A 62 -14.521 -2.919 -7.094 1.00 0.00 C ATOM 999 OE1 GLU A 62 -14.393 -2.775 -8.333 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -14.620 -4.067 -6.608 1.00 0.00 O ATOM 0 H GLU A 62 -15.759 0.665 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.991 0.353 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.703 -0.062 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.084 -0.686 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.060 -1.915 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.636 -1.515 -5.891 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.064 2.767 -7.066 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.735 3.910 -7.883 1.00 0.00 C ATOM 1009 C GLU A 63 -13.153 5.064 -7.059 1.00 0.00 C ATOM 1010 O GLU A 63 -12.697 6.056 -7.629 1.00 0.00 O ATOM 1011 CB GLU A 63 -14.976 4.347 -8.643 1.00 0.00 C ATOM 1012 CG GLU A 63 -15.438 3.299 -9.663 1.00 0.00 C ATOM 1013 CD GLU A 63 -16.606 3.841 -10.474 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -17.741 3.849 -9.943 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -16.380 4.293 -11.623 1.00 0.00 O ATOM 0 H GLU A 63 -15.064 2.669 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.957 3.619 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.782 4.541 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.771 5.285 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.614 3.038 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.735 2.385 -9.149 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.157 4.956 -5.731 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.526 5.931 -4.856 1.00 0.00 C ATOM 1024 C ASP A 64 -11.047 5.611 -4.654 1.00 0.00 C ATOM 1025 O ASP A 64 -10.329 6.434 -4.092 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.188 5.940 -3.477 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.649 6.359 -3.443 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.057 7.286 -4.184 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.358 5.866 -2.539 1.00 0.00 O ATOM 0 H ASP A 64 -13.601 4.184 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.639 6.903 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.107 4.940 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.623 6.610 -2.829 1.00 0.00 H new ATOM 1034 N SER A 65 -10.575 4.419 -5.031 1.00 0.00 N ATOM 1035 CA SER A 65 -9.157 4.122 -4.958 1.00 0.00 C ATOM 1036 C SER A 65 -8.531 4.576 -6.272 1.00 0.00 C ATOM 1037 O SER A 65 -9.039 4.217 -7.339 1.00 0.00 O ATOM 1038 CB SER A 65 -8.940 2.620 -4.757 1.00 0.00 C ATOM 1039 OG SER A 65 -7.617 2.363 -4.358 1.00 0.00 O ATOM 0 H SER A 65 -11.153 3.657 -5.385 1.00 0.00 H new ATOM 0 HA SER A 65 -8.698 4.639 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.633 2.244 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.157 2.088 -5.683 1.00 0.00 H new ATOM 0 HG SER A 65 -7.560 2.387 -3.380 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.407 5.307 -6.234 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.667 5.568 -7.476 1.00 0.00 C ATOM 1047 C LYS A 66 -5.566 4.526 -7.681 1.00 0.00 C ATOM 1048 O LYS A 66 -4.529 4.815 -8.293 1.00 0.00 O ATOM 1049 CB LYS A 66 -6.103 6.998 -7.357 1.00 0.00 C ATOM 1050 CG LYS A 66 -4.843 7.137 -6.479 1.00 0.00 C ATOM 1051 CD LYS A 66 -4.840 8.491 -5.789 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.528 8.775 -5.053 1.00 0.00 C ATOM 1053 NZ LYS A 66 -2.895 10.015 -5.520 1.00 0.00 N ATOM 0 H LYS A 66 -7.003 5.714 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.313 5.492 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.871 7.364 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.881 7.646 -6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.818 6.340 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.948 7.030 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.013 9.272 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.667 8.535 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.721 8.847 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.842 7.940 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.871 9.970 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.066 10.130 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.299 10.825 -5.008 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.810 3.274 -7.292 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.818 2.205 -7.305 1.00 0.00 C ATOM 1069 C VAL A 67 -5.582 0.877 -7.457 1.00 0.00 C ATOM 1070 O VAL A 67 -6.796 0.827 -7.251 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.875 2.272 -6.058 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -3.494 3.690 -5.591 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.326 1.459 -4.833 1.00 0.00 C ATOM 0 H VAL A 67 -6.723 2.971 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.134 2.308 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.987 1.794 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.839 3.623 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.976 4.211 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.396 4.240 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.599 1.578 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.300 1.816 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.399 0.405 -5.102 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.901 -0.215 -7.831 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.527 -1.513 -8.006 1.00 0.00 C ATOM 1085 C PRO A 68 -5.886 -2.123 -6.653 1.00 0.00 C ATOM 1086 O PRO A 68 -5.050 -2.224 -5.746 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.526 -2.355 -8.793 1.00 0.00 C ATOM 1088 CG PRO A 68 -3.181 -1.721 -8.440 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.486 -0.271 -8.118 1.00 0.00 C ATOM 0 HA PRO A 68 -6.470 -1.450 -8.549 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.565 -3.404 -8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.721 -2.315 -9.865 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.722 -2.224 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.481 -1.799 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.901 0.070 -7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.232 0.377 -8.957 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.140 -2.546 -6.541 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.736 -3.113 -5.348 1.00 0.00 C ATOM 1099 C LEU A 69 -7.732 -4.619 -5.491 1.00 0.00 C ATOM 1100 O LEU A 69 -8.572 -5.214 -6.170 1.00 0.00 O ATOM 1101 CB LEU A 69 -9.154 -2.561 -5.163 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.252 -1.054 -4.921 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.726 -0.683 -4.825 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.533 -0.686 -3.626 1.00 0.00 C ATOM 0 H LEU A 69 -7.796 -2.498 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.166 -2.841 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.738 -2.807 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.618 -3.076 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.782 -0.510 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.821 0.389 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.229 -0.946 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.185 -1.226 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.608 0.389 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.994 -1.214 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.483 -0.970 -3.699 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.740 -5.231 -4.863 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.473 -6.646 -4.981 1.00 0.00 C ATOM 1118 C ILE A 70 -7.109 -7.364 -3.800 1.00 0.00 C ATOM 1119 O ILE A 70 -7.541 -6.736 -2.829 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.958 -6.878 -5.106 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -4.193 -6.671 -3.779 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.411 -6.027 -6.265 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.710 -7.037 -3.853 1.00 0.00 C ATOM 0 H ILE A 70 -6.089 -4.744 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.918 -7.061 -5.885 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.789 -7.929 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.285 -5.628 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.666 -7.270 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.337 -6.187 -6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.903 -6.317 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.605 -4.973 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.244 -6.864 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.608 -8.088 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.220 -6.420 -4.606 1.00 0.00 H new ATOM 1135 N THR A 71 -7.158 -8.685 -3.877 1.00 0.00 N ATOM 1136 CA THR A 71 -7.574 -9.482 -2.743 1.00 0.00 C ATOM 1137 C THR A 71 -6.360 -9.824 -1.879 1.00 0.00 C ATOM 1138 O THR A 71 -5.222 -9.808 -2.345 1.00 0.00 O ATOM 1139 CB THR A 71 -8.358 -10.716 -3.215 1.00 0.00 C ATOM 1140 OG1 THR A 71 -7.970 -11.251 -4.472 1.00 0.00 O ATOM 1141 CG2 THR A 71 -9.821 -10.287 -3.385 1.00 0.00 C ATOM 0 H THR A 71 -6.916 -9.222 -4.710 1.00 0.00 H new ATOM 0 HA THR A 71 -8.258 -8.912 -2.114 1.00 0.00 H new ATOM 0 HB THR A 71 -8.173 -11.485 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.525 -12.031 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.413 -11.138 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.208 -9.929 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.882 -9.488 -4.124 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.602 -10.192 -0.624 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.575 -10.566 0.339 1.00 0.00 C ATOM 1151 C TYR A 72 -4.576 -11.578 -0.214 1.00 0.00 C ATOM 1152 O TYR A 72 -3.393 -11.471 0.065 1.00 0.00 O ATOM 1153 CB TYR A 72 -6.248 -11.121 1.596 1.00 0.00 C ATOM 1154 CG TYR A 72 -6.626 -10.106 2.657 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -5.623 -9.334 3.272 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -7.953 -10.013 3.115 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -5.923 -8.547 4.396 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.265 -9.223 4.237 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.239 -8.513 4.906 1.00 0.00 C ATOM 1160 OH TYR A 72 -7.505 -7.795 6.031 1.00 0.00 O ATOM 0 H TYR A 72 -7.546 -10.239 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.003 -9.668 0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.150 -11.654 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.580 -11.855 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.618 -9.347 2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.737 -10.551 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.146 -7.967 4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.285 -9.158 4.587 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.457 -7.872 6.251 1.00 0.00 H new ATOM 1170 N SER A 73 -5.013 -12.564 -0.985 1.00 0.00 N ATOM 1171 CA SER A 73 -4.150 -13.601 -1.523 1.00 0.00 C ATOM 1172 C SER A 73 -3.224 -13.110 -2.639 1.00 0.00 C ATOM 1173 O SER A 73 -2.135 -13.647 -2.857 1.00 0.00 O ATOM 1174 CB SER A 73 -5.078 -14.686 -2.032 1.00 0.00 C ATOM 1175 OG SER A 73 -6.166 -14.156 -2.782 1.00 0.00 O ATOM 0 H SER A 73 -5.991 -12.666 -1.257 1.00 0.00 H new ATOM 0 HA SER A 73 -3.476 -13.958 -0.745 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.514 -15.381 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.465 -15.256 -1.187 1.00 0.00 H new ATOM 0 HG SER A 73 -6.738 -14.889 -3.092 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.657 -12.091 -3.367 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.849 -11.410 -4.378 1.00 0.00 C ATOM 1183 C GLU A 74 -1.686 -10.674 -3.714 1.00 0.00 C ATOM 1184 O GLU A 74 -0.565 -10.741 -4.209 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.705 -10.482 -5.232 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.675 -11.292 -6.099 1.00 0.00 C ATOM 1187 CD GLU A 74 -5.527 -10.339 -6.925 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -6.505 -9.774 -6.379 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -5.248 -10.156 -8.127 1.00 0.00 O ATOM 0 H GLU A 74 -4.596 -11.704 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.428 -12.155 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.264 -9.800 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.065 -9.869 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.121 -11.964 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.311 -11.914 -5.469 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.925 -10.063 -2.548 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.863 -9.466 -1.750 1.00 0.00 C ATOM 1198 C PHE A 75 0.173 -10.523 -1.384 1.00 0.00 C ATOM 1199 O PHE A 75 1.363 -10.254 -1.519 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.463 -8.800 -0.507 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.528 -8.441 0.634 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.737 -7.867 0.398 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.978 -8.607 1.958 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.502 -7.376 1.467 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.215 -8.102 3.025 1.00 0.00 C ATOM 1206 CZ PHE A 75 1.005 -7.458 2.776 1.00 0.00 C ATOM 0 H PHE A 75 -2.855 -9.972 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.355 -8.696 -2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.964 -7.887 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.232 -9.464 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.119 -7.805 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.907 -9.121 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.471 -6.936 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.570 -8.210 4.039 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.563 -7.025 3.593 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.263 -11.715 -0.971 1.00 0.00 N ATOM 1217 CA ILE A 76 0.649 -12.778 -0.579 1.00 0.00 C ATOM 1218 C ILE A 76 1.561 -13.139 -1.749 1.00 0.00 C ATOM 1219 O ILE A 76 2.756 -13.278 -1.538 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.131 -13.990 -0.019 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -1.022 -13.617 1.181 1.00 0.00 C ATOM 1222 CG2 ILE A 76 0.790 -15.144 0.388 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.375 -12.747 2.269 1.00 0.00 C ATOM 0 H ILE A 76 -1.250 -11.964 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 76 1.291 -12.430 0.230 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.766 -14.318 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.901 -13.095 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.373 -14.539 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.191 -15.969 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.355 -15.482 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.480 -14.804 1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.101 -12.552 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.486 -13.268 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.050 -11.802 1.834 1.00 0.00 H new ATOM 1235 N ASP A 77 1.029 -13.251 -2.971 1.00 0.00 N ATOM 1236 CA ASP A 77 1.798 -13.553 -4.190 1.00 0.00 C ATOM 1237 C ASP A 77 2.957 -12.589 -4.397 1.00 0.00 C ATOM 1238 O ASP A 77 4.038 -13.005 -4.816 1.00 0.00 O ATOM 1239 CB ASP A 77 0.829 -13.608 -5.385 1.00 0.00 C ATOM 1240 CG ASP A 77 1.288 -13.261 -6.817 1.00 0.00 C ATOM 1241 OD1 ASP A 77 2.482 -13.225 -7.177 1.00 0.00 O ATOM 1242 OD2 ASP A 77 0.375 -13.118 -7.666 1.00 0.00 O ATOM 0 H ASP A 77 0.031 -13.132 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 77 2.272 -14.529 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.426 -14.620 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.001 -12.942 -5.149 1.00 0.00 H new ATOM 1247 N LEU A 78 2.772 -11.322 -4.024 1.00 0.00 N ATOM 1248 CA LEU A 78 3.832 -10.341 -4.157 1.00 0.00 C ATOM 1249 C LEU A 78 4.989 -10.587 -3.170 1.00 0.00 C ATOM 1250 O LEU A 78 6.062 -9.996 -3.343 1.00 0.00 O ATOM 1251 CB LEU A 78 3.269 -8.928 -3.928 1.00 0.00 C ATOM 1252 CG LEU A 78 2.229 -8.449 -4.955 1.00 0.00 C ATOM 1253 CD1 LEU A 78 1.653 -7.124 -4.452 1.00 0.00 C ATOM 1254 CD2 LEU A 78 2.840 -8.242 -6.344 1.00 0.00 C ATOM 0 H LEU A 78 1.903 -10.960 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 78 4.229 -10.436 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.816 -8.894 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.100 -8.222 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 78 1.457 -9.212 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.910 -6.758 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.183 -7.277 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.455 -6.392 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.067 -7.904 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.629 -7.492 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.259 -9.183 -6.701 1.00 0.00 H new ATOM 1266 N LEU A 79 4.778 -11.383 -2.117 1.00 0.00 N ATOM 1267 CA LEU A 79 5.725 -11.643 -1.040 1.00 0.00 C ATOM 1268 C LEU A 79 6.525 -12.892 -1.406 1.00 0.00 C ATOM 1269 O LEU A 79 7.550 -12.778 -2.076 1.00 0.00 O ATOM 1270 CB LEU A 79 5.011 -11.753 0.325 1.00 0.00 C ATOM 1271 CG LEU A 79 4.148 -10.541 0.725 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.775 -10.659 2.208 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.841 -9.200 0.454 1.00 0.00 C ATOM 0 H LEU A 79 3.899 -11.885 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 79 6.417 -10.808 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.377 -12.639 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.764 -11.911 1.097 1.00 0.00 H new ATOM 0 HG LEU A 79 3.251 -10.554 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.164 -9.804 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.213 -11.579 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.683 -10.678 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.185 -8.384 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.769 -9.149 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.062 -9.113 -0.610 1.00 0.00 H new ATOM 1285 N GLU A 80 6.046 -14.068 -0.993 1.00 0.00 N ATOM 1286 CA GLU A 80 6.581 -15.412 -1.227 1.00 0.00 C ATOM 1287 C GLU A 80 8.107 -15.453 -1.335 1.00 0.00 C ATOM 1288 O GLU A 80 8.680 -15.869 -2.349 1.00 0.00 O ATOM 1289 CB GLU A 80 5.881 -16.051 -2.438 1.00 0.00 C ATOM 1290 CG GLU A 80 4.371 -16.185 -2.222 1.00 0.00 C ATOM 1291 CD GLU A 80 4.069 -16.998 -0.963 1.00 0.00 C ATOM 1292 OE1 GLU A 80 4.129 -18.249 -1.020 1.00 0.00 O ATOM 1293 OE2 GLU A 80 3.805 -16.401 0.108 1.00 0.00 O ATOM 0 H GLU A 80 5.194 -14.107 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 80 6.358 -16.012 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.068 -15.447 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.309 -17.035 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.923 -15.195 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.917 -16.667 -3.088 1.00 0.00 H new ATOM 1300 N GLY A 81 8.788 -15.061 -0.263 1.00 0.00 N ATOM 1301 CA GLY A 81 10.235 -14.909 -0.237 1.00 0.00 C ATOM 1302 C GLY A 81 10.646 -13.447 -0.221 1.00 0.00 C ATOM 1303 O GLY A 81 11.738 -13.121 -0.689 1.00 0.00 O ATOM 0 H GLY A 81 8.341 -14.837 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.638 -15.410 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.668 -15.399 -1.109 1.00 0.00 H new ATOM 1307 N GLU A 82 9.805 -12.558 0.306 1.00 0.00 N ATOM 1308 CA GLU A 82 10.097 -11.152 0.476 1.00 0.00 C ATOM 1309 C GLU A 82 9.291 -10.669 1.672 1.00 0.00 C ATOM 1310 O GLU A 82 8.178 -11.151 1.904 1.00 0.00 O ATOM 1311 CB GLU A 82 9.756 -10.370 -0.800 1.00 0.00 C ATOM 1312 CG GLU A 82 11.005 -9.764 -1.449 1.00 0.00 C ATOM 1313 CD GLU A 82 11.712 -8.682 -0.621 1.00 0.00 C ATOM 1314 OE1 GLU A 82 11.753 -8.743 0.630 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.261 -7.754 -1.253 1.00 0.00 O ATOM 0 H GLU A 82 8.874 -12.814 0.634 1.00 0.00 H new ATOM 0 HA GLU A 82 11.160 -10.990 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.262 -11.033 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.049 -9.575 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.715 -10.566 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.724 -9.337 -2.411 1.00 0.00 H new ATOM 1322 N GLU A 83 9.865 -9.773 2.475 1.00 0.00 N ATOM 1323 CA GLU A 83 9.281 -9.465 3.775 1.00 0.00 C ATOM 1324 C GLU A 83 9.736 -8.128 4.363 1.00 0.00 C ATOM 1325 O GLU A 83 9.887 -7.976 5.577 1.00 0.00 O ATOM 1326 CB GLU A 83 9.568 -10.650 4.729 1.00 0.00 C ATOM 1327 CG GLU A 83 8.295 -11.137 5.433 1.00 0.00 C ATOM 1328 CD GLU A 83 8.615 -11.666 6.835 1.00 0.00 C ATOM 1329 OE1 GLU A 83 9.281 -12.718 6.958 1.00 0.00 O ATOM 1330 OE2 GLU A 83 8.300 -10.989 7.846 1.00 0.00 O ATOM 0 H GLU A 83 10.717 -9.258 2.252 1.00 0.00 H new ATOM 0 HA GLU A 83 8.206 -9.340 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.008 -11.472 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.302 -10.346 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.578 -10.319 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.825 -11.923 4.842 1.00 0.00 H new ATOM 1337 N LYS A 84 9.883 -7.114 3.509 1.00 0.00 N ATOM 1338 CA LYS A 84 10.476 -5.837 3.899 1.00 0.00 C ATOM 1339 C LYS A 84 9.675 -4.657 3.355 1.00 0.00 C ATOM 1340 O LYS A 84 10.253 -3.623 3.020 1.00 0.00 O ATOM 1341 CB LYS A 84 11.914 -5.888 3.345 1.00 0.00 C ATOM 1342 CG LYS A 84 12.896 -6.635 4.264 1.00 0.00 C ATOM 1343 CD LYS A 84 13.764 -7.647 3.508 1.00 0.00 C ATOM 1344 CE LYS A 84 13.022 -8.985 3.438 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.553 -9.864 2.378 1.00 0.00 N ATOM 0 H LYS A 84 9.595 -7.156 2.531 1.00 0.00 H new ATOM 0 HA LYS A 84 10.474 -5.690 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.902 -6.372 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.273 -4.870 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.541 -5.912 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.336 -7.153 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.979 -7.283 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.722 -7.773 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.099 -9.492 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.963 -8.802 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.426 -10.858 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.042 -9.685 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.565 -9.669 2.240 1.00 0.00 H new ATOM 1359 N PHE A 85 8.345 -4.771 3.327 1.00 0.00 N ATOM 1360 CA PHE A 85 7.443 -3.729 2.828 1.00 0.00 C ATOM 1361 C PHE A 85 5.968 -4.013 3.142 1.00 0.00 C ATOM 1362 O PHE A 85 5.081 -3.690 2.358 1.00 0.00 O ATOM 1363 CB PHE A 85 7.654 -3.527 1.315 1.00 0.00 C ATOM 1364 CG PHE A 85 7.484 -4.774 0.456 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.560 -5.662 0.271 1.00 0.00 C ATOM 1366 CD2 PHE A 85 6.254 -5.046 -0.172 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.401 -6.812 -0.514 1.00 0.00 C ATOM 1368 CE2 PHE A 85 6.081 -6.222 -0.924 1.00 0.00 C ATOM 1369 CZ PHE A 85 7.156 -7.113 -1.091 1.00 0.00 C ATOM 0 H PHE A 85 7.856 -5.604 3.656 1.00 0.00 H new ATOM 0 HA PHE A 85 7.694 -2.808 3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.953 -2.769 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.657 -3.131 1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.513 -5.456 0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.437 -4.346 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.241 -7.471 -0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.123 -6.440 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.025 -8.022 -1.659 1.00 0.00 H new ATOM 1379 N ILE A 86 5.688 -4.543 4.325 1.00 0.00 N ATOM 1380 CA ILE A 86 4.500 -5.352 4.587 1.00 0.00 C ATOM 1381 C ILE A 86 3.567 -4.621 5.569 1.00 0.00 C ATOM 1382 O ILE A 86 3.732 -3.429 5.832 1.00 0.00 O ATOM 1383 CB ILE A 86 4.952 -6.738 5.108 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.344 -7.229 4.615 1.00 0.00 C ATOM 1385 CG2 ILE A 86 3.957 -7.832 4.705 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.442 -7.513 3.100 1.00 0.00 C ATOM 0 H ILE A 86 6.286 -4.423 5.142 1.00 0.00 H new ATOM 0 HA ILE A 86 3.926 -5.505 3.673 1.00 0.00 H new ATOM 0 HB ILE A 86 5.007 -6.580 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.090 -6.479 4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.603 -8.139 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.301 -8.794 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.977 -7.605 5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.885 -7.876 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.450 -7.849 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.726 -8.288 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.220 -6.602 2.544 1.00 0.00 H new ATOM 1398 N GLY A 87 2.605 -5.324 6.161 1.00 0.00 N ATOM 1399 CA GLY A 87 2.034 -5.030 7.465 1.00 0.00 C ATOM 1400 C GLY A 87 0.793 -5.863 7.686 1.00 0.00 C ATOM 1401 O GLY A 87 0.526 -6.754 6.848 1.00 0.00 O ATOM 0 H GLY A 87 2.188 -6.146 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.765 -5.238 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.787 -3.970 7.533 1.00 0.00 H new TER 1405 GLY A 87