USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 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 12 GLN : amide:sc= -1.78 K(o=-1.8,f=0.013) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 16 TYR OH : rot -35:sc= 1.11 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 23 ASN : amide:sc= 0.143 X(o=0.14,f=-0.016) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0873) USER MOD Single : A 36 MET CE :methyl -147:sc= -0.895 (180deg=-1.95!) USER MOD Single : A 41 HIS : no HE2:sc= -8.91! C(o=-8.9!,f=-14!) USER MOD Single : A 43 SER OG : rot 180:sc= -1.42 USER MOD Single : A 48 SER OG : rot -121:sc= 1.2 USER MOD Single : A 53 MET CE :methyl 180:sc= -7.17! (180deg=-7.17!) USER MOD Single : A 54 SER OG : rot -170:sc= -2.96 USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= -0.167 (180deg=-0.847) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= -2.22! (180deg=-2.3!) USER MOD Single : A 67 ASN : amide:sc= -4.81! C(o=-4.8!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0.275! (180deg=0.103!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= 0.0806 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -1.114 15.691 5.094 1.00 0.00 N ATOM 2 CA PRO A 9 0.146 14.917 5.267 1.00 0.00 C ATOM 3 C PRO A 9 0.067 13.549 4.591 1.00 0.00 C ATOM 4 O PRO A 9 -0.541 12.619 5.121 1.00 0.00 O ATOM 5 CB PRO A 9 0.389 14.760 6.765 1.00 0.00 C ATOM 6 CG PRO A 9 -0.845 15.310 7.399 1.00 0.00 C ATOM 7 CD PRO A 9 -1.438 16.279 6.404 1.00 0.00 C ATOM 0 HA PRO A 9 0.971 15.451 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.543 13.715 7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.277 15.306 7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.550 14.513 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.609 15.812 8.337 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.515 16.381 6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.007 17.275 6.512 1.00 0.00 H new ATOM 15 N GLY A 10 0.687 13.435 3.421 1.00 0.00 N ATOM 16 CA GLY A 10 0.675 12.179 2.694 1.00 0.00 C ATOM 17 C GLY A 10 2.053 11.779 2.204 1.00 0.00 C ATOM 18 O GLY A 10 2.824 12.621 1.742 1.00 0.00 O ATOM 0 H GLY A 10 1.198 14.190 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.280 11.394 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.000 12.262 1.842 1.00 0.00 H new ATOM 22 N LEU A 11 2.364 10.491 2.307 1.00 0.00 N ATOM 23 CA LEU A 11 3.655 9.980 1.874 1.00 0.00 C ATOM 24 C LEU A 11 3.777 10.023 0.354 1.00 0.00 C ATOM 25 O LEU A 11 2.784 9.890 -0.361 1.00 0.00 O ATOM 26 CB LEU A 11 3.866 8.550 2.377 1.00 0.00 C ATOM 27 CG LEU A 11 3.251 8.243 3.748 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.122 7.231 3.615 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.315 7.732 4.708 1.00 0.00 C ATOM 0 H LEU A 11 1.737 9.783 2.688 1.00 0.00 H new ATOM 0 HA LEU A 11 4.427 10.620 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.447 7.859 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.937 8.353 2.425 1.00 0.00 H new ATOM 0 HG LEU A 11 2.837 9.167 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.699 7.027 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.347 7.634 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.511 6.306 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.860 7.519 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.759 6.821 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.089 8.489 4.830 1.00 0.00 H new ATOM 41 N GLN A 12 4.997 10.226 -0.131 1.00 0.00 N ATOM 42 CA GLN A 12 5.247 10.304 -1.562 1.00 0.00 C ATOM 43 C GLN A 12 4.814 9.031 -2.285 1.00 0.00 C ATOM 44 O GLN A 12 5.180 7.922 -1.896 1.00 0.00 O ATOM 45 CB GLN A 12 6.727 10.578 -1.828 1.00 0.00 C ATOM 46 CG GLN A 12 6.960 11.731 -2.787 1.00 0.00 C ATOM 47 CD GLN A 12 6.554 11.393 -4.210 1.00 0.00 C ATOM 48 OE1 GLN A 12 7.392 11.041 -5.039 1.00 0.00 O ATOM 49 NE2 GLN A 12 5.260 11.500 -4.501 1.00 0.00 N ATOM 0 H GLN A 12 5.829 10.339 0.449 1.00 0.00 H new ATOM 0 HA GLN A 12 4.650 11.128 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.225 10.794 -0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.189 9.678 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.397 12.601 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.014 12.007 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.599 11.796 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.930 11.286 -5.442 1.00 0.00 H new ATOM 58 N ILE A 13 4.032 9.214 -3.343 1.00 0.00 N ATOM 59 CA ILE A 13 3.530 8.108 -4.146 1.00 0.00 C ATOM 60 C ILE A 13 4.646 7.429 -4.933 1.00 0.00 C ATOM 61 O ILE A 13 5.559 8.087 -5.433 1.00 0.00 O ATOM 62 CB ILE A 13 2.467 8.609 -5.136 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.455 9.515 -4.425 1.00 0.00 C ATOM 64 CG2 ILE A 13 1.768 7.440 -5.807 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.478 8.766 -3.547 1.00 0.00 C ATOM 0 H ILE A 13 3.729 10.133 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 13 3.095 7.384 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 13 2.964 9.195 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.995 10.240 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.898 10.079 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.019 7.815 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.500 6.841 -6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.283 6.823 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.206 9.473 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.090 8.061 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.024 8.223 -2.776 1.00 0.00 H new ATOM 77 N TYR A 14 4.557 6.108 -5.047 1.00 0.00 N ATOM 78 CA TYR A 14 5.546 5.329 -5.783 1.00 0.00 C ATOM 79 C TYR A 14 4.856 4.317 -6.694 1.00 0.00 C ATOM 80 O TYR A 14 3.691 3.979 -6.485 1.00 0.00 O ATOM 81 CB TYR A 14 6.484 4.616 -4.815 1.00 0.00 C ATOM 82 CG TYR A 14 7.127 5.544 -3.815 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.921 6.604 -4.234 1.00 0.00 C ATOM 84 CD2 TYR A 14 6.945 5.359 -2.453 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.514 7.455 -3.320 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.534 6.203 -1.534 1.00 0.00 C ATOM 87 CZ TYR A 14 8.318 7.250 -1.972 1.00 0.00 C ATOM 88 OH TYR A 14 8.907 8.093 -1.058 1.00 0.00 O ATOM 0 H TYR A 14 3.806 5.552 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 14 6.133 6.008 -6.401 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.927 3.847 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.264 4.108 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.078 6.766 -5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.332 4.541 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.127 8.276 -3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.382 6.045 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 14 8.668 7.810 -0.151 1.00 0.00 H new ATOM 98 N PRO A 15 5.557 3.829 -7.733 1.00 0.00 N ATOM 99 CA PRO A 15 4.989 2.869 -8.684 1.00 0.00 C ATOM 100 C PRO A 15 4.910 1.442 -8.147 1.00 0.00 C ATOM 101 O PRO A 15 5.329 0.499 -8.817 1.00 0.00 O ATOM 102 CB PRO A 15 5.954 2.944 -9.865 1.00 0.00 C ATOM 103 CG PRO A 15 7.264 3.310 -9.256 1.00 0.00 C ATOM 104 CD PRO A 15 6.946 4.194 -8.078 1.00 0.00 C ATOM 0 HA PRO A 15 3.955 3.115 -8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.013 1.991 -10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.633 3.689 -10.593 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.809 2.420 -8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.896 3.832 -9.975 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.626 4.013 -7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.031 5.250 -8.335 1.00 0.00 H new ATOM 112 N TYR A 16 4.337 1.288 -6.956 1.00 0.00 N ATOM 113 CA TYR A 16 4.163 -0.033 -6.342 1.00 0.00 C ATOM 114 C TYR A 16 5.483 -0.776 -6.172 1.00 0.00 C ATOM 115 O TYR A 16 5.973 -0.961 -5.058 1.00 0.00 O ATOM 116 CB TYR A 16 3.198 -0.866 -7.197 1.00 0.00 C ATOM 117 CG TYR A 16 2.788 -2.200 -6.598 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.064 -2.267 -5.412 1.00 0.00 C ATOM 119 CD2 TYR A 16 3.098 -3.394 -7.241 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.663 -3.482 -4.886 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.705 -4.611 -6.718 1.00 0.00 C ATOM 122 CZ TYR A 16 1.987 -4.650 -5.543 1.00 0.00 C ATOM 123 OH TYR A 16 1.589 -5.861 -5.025 1.00 0.00 O ATOM 0 H TYR A 16 3.983 2.061 -6.393 1.00 0.00 H new ATOM 0 HA TYR A 16 3.752 0.117 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.299 -0.277 -7.380 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.662 -1.049 -8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.811 -1.355 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.656 -3.369 -8.165 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.099 -3.515 -3.966 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.960 -5.528 -7.228 1.00 0.00 H new ATOM 0 HH TYR A 16 1.613 -5.822 -4.046 1.00 0.00 H new ATOM 133 N GLU A 17 6.036 -1.206 -7.288 1.00 0.00 N ATOM 134 CA GLU A 17 7.292 -1.950 -7.313 1.00 0.00 C ATOM 135 C GLU A 17 8.371 -1.260 -6.489 1.00 0.00 C ATOM 136 O GLU A 17 9.307 -1.902 -6.011 1.00 0.00 O ATOM 137 CB GLU A 17 7.774 -2.123 -8.755 1.00 0.00 C ATOM 138 CG GLU A 17 6.817 -2.923 -9.625 1.00 0.00 C ATOM 139 CD GLU A 17 6.884 -2.524 -11.085 1.00 0.00 C ATOM 140 OE1 GLU A 17 6.576 -1.354 -11.396 1.00 0.00 O ATOM 141 OE2 GLU A 17 7.246 -3.381 -11.920 1.00 0.00 O ATOM 0 H GLU A 17 5.630 -1.052 -8.211 1.00 0.00 H new ATOM 0 HA GLU A 17 7.104 -2.928 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.921 -1.139 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.745 -2.618 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.048 -3.984 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.799 -2.785 -9.261 1.00 0.00 H new ATOM 148 N MET A 18 8.236 0.047 -6.321 1.00 0.00 N ATOM 149 CA MET A 18 9.197 0.818 -5.550 1.00 0.00 C ATOM 150 C MET A 18 9.137 0.420 -4.080 1.00 0.00 C ATOM 151 O MET A 18 10.102 0.585 -3.334 1.00 0.00 O ATOM 152 CB MET A 18 8.922 2.314 -5.703 1.00 0.00 C ATOM 153 CG MET A 18 9.887 3.017 -6.646 1.00 0.00 C ATOM 154 SD MET A 18 11.578 3.033 -6.023 1.00 0.00 S ATOM 155 CE MET A 18 12.501 3.144 -7.553 1.00 0.00 C ATOM 0 H MET A 18 7.469 0.596 -6.709 1.00 0.00 H new ATOM 0 HA MET A 18 10.197 0.606 -5.929 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.904 2.452 -6.068 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.976 2.787 -4.722 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.866 2.522 -7.617 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.552 4.042 -6.804 1.00 0.00 H new ATOM 0 HE1 MET A 18 13.568 3.164 -7.333 1.00 0.00 H new ATOM 0 HE2 MET A 18 12.275 2.280 -8.178 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.222 4.056 -8.081 1.00 0.00 H new ATOM 165 N LEU A 19 7.985 -0.104 -3.679 1.00 0.00 N ATOM 166 CA LEU A 19 7.760 -0.535 -2.309 1.00 0.00 C ATOM 167 C LEU A 19 7.684 -2.055 -2.230 1.00 0.00 C ATOM 168 O LEU A 19 8.071 -2.663 -1.232 1.00 0.00 O ATOM 169 CB LEU A 19 6.449 0.060 -1.804 1.00 0.00 C ATOM 170 CG LEU A 19 6.244 1.542 -2.101 1.00 0.00 C ATOM 171 CD1 LEU A 19 4.828 1.782 -2.605 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.528 2.382 -0.862 1.00 0.00 C ATOM 0 H LEU A 19 7.183 -0.241 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 19 8.591 -0.192 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.623 -0.499 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.395 -0.088 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 19 6.945 1.844 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.691 2.843 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.664 1.208 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.113 1.467 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.376 3.436 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.852 2.086 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.559 2.225 -0.545 1.00 0.00 H new ATOM 184 N VAL A 20 7.160 -2.655 -3.291 1.00 0.00 N ATOM 185 CA VAL A 20 6.997 -4.100 -3.370 1.00 0.00 C ATOM 186 C VAL A 20 8.334 -4.830 -3.322 1.00 0.00 C ATOM 187 O VAL A 20 9.117 -4.780 -4.270 1.00 0.00 O ATOM 188 CB VAL A 20 6.248 -4.499 -4.653 1.00 0.00 C ATOM 189 CG1 VAL A 20 5.813 -5.950 -4.583 1.00 0.00 C ATOM 190 CG2 VAL A 20 5.049 -3.590 -4.881 1.00 0.00 C ATOM 0 H VAL A 20 6.837 -2.155 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 20 6.412 -4.396 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 20 6.928 -4.383 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.285 -6.216 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.690 -6.588 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.151 -6.091 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.534 -3.890 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.366 -3.670 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.388 -2.558 -4.978 1.00 0.00 H new ATOM 200 N VAL A 21 8.579 -5.516 -2.210 1.00 0.00 N ATOM 201 CA VAL A 21 9.804 -6.269 -2.026 1.00 0.00 C ATOM 202 C VAL A 21 9.537 -7.766 -2.133 1.00 0.00 C ATOM 203 O VAL A 21 8.674 -8.302 -1.437 1.00 0.00 O ATOM 204 CB VAL A 21 10.457 -5.967 -0.663 1.00 0.00 C ATOM 205 CG1 VAL A 21 11.815 -6.643 -0.557 1.00 0.00 C ATOM 206 CG2 VAL A 21 10.584 -4.466 -0.452 1.00 0.00 C ATOM 0 H VAL A 21 7.936 -5.563 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 21 10.490 -5.962 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 21 9.816 -6.369 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.259 -6.417 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.693 -7.721 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.467 -6.275 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.047 -4.272 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.202 -4.039 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.594 -4.010 -0.478 1.00 0.00 H new ATOM 216 N THR A 22 10.269 -8.437 -3.017 1.00 0.00 N ATOM 217 CA THR A 22 10.101 -9.863 -3.223 1.00 0.00 C ATOM 218 C THR A 22 10.952 -10.683 -2.251 1.00 0.00 C ATOM 219 O THR A 22 11.564 -11.679 -2.636 1.00 0.00 O ATOM 220 CB THR A 22 10.449 -10.225 -4.667 1.00 0.00 C ATOM 221 OG1 THR A 22 11.007 -9.114 -5.348 1.00 0.00 O ATOM 222 CG2 THR A 22 9.255 -10.700 -5.467 1.00 0.00 C ATOM 0 H THR A 22 10.986 -8.009 -3.603 1.00 0.00 H new ATOM 0 HA THR A 22 9.057 -10.107 -3.029 1.00 0.00 H new ATOM 0 HB THR A 22 11.168 -11.041 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.223 -9.370 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.570 -10.941 -6.482 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.833 -11.589 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.501 -9.913 -5.498 1.00 0.00 H new ATOM 230 N ASN A 23 10.981 -10.267 -0.986 1.00 0.00 N ATOM 231 CA ASN A 23 11.750 -10.976 0.033 1.00 0.00 C ATOM 232 C ASN A 23 11.669 -10.275 1.389 1.00 0.00 C ATOM 233 O ASN A 23 12.574 -10.407 2.214 1.00 0.00 O ATOM 234 CB ASN A 23 13.213 -11.113 -0.400 1.00 0.00 C ATOM 235 CG ASN A 23 13.701 -12.547 -0.341 1.00 0.00 C ATOM 236 OD1 ASN A 23 14.088 -13.041 0.718 1.00 0.00 O ATOM 237 ND2 ASN A 23 13.683 -13.226 -1.482 1.00 0.00 N ATOM 0 H ASN A 23 10.483 -9.446 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 23 11.314 -11.969 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.325 -10.735 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.839 -10.492 0.242 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.998 -14.196 -1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.354 -12.778 -2.337 1.00 0.00 H new ATOM 244 N LYS A 24 10.580 -9.540 1.616 1.00 0.00 N ATOM 245 CA LYS A 24 10.370 -8.822 2.877 1.00 0.00 C ATOM 246 C LYS A 24 11.668 -8.213 3.409 1.00 0.00 C ATOM 247 O LYS A 24 12.407 -8.859 4.152 1.00 0.00 O ATOM 248 CB LYS A 24 9.773 -9.763 3.926 1.00 0.00 C ATOM 249 CG LYS A 24 8.572 -10.549 3.424 1.00 0.00 C ATOM 250 CD LYS A 24 7.343 -9.665 3.292 1.00 0.00 C ATOM 251 CE LYS A 24 6.079 -10.491 3.117 1.00 0.00 C ATOM 252 NZ LYS A 24 5.605 -11.062 4.407 1.00 0.00 N ATOM 0 H LYS A 24 9.825 -9.425 0.940 1.00 0.00 H new ATOM 0 HA LYS A 24 9.675 -8.006 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.542 -10.462 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.477 -9.180 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.806 -10.995 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.360 -11.369 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.249 -9.037 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.464 -8.997 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.295 -9.868 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.268 -11.299 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.741 -11.618 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.343 -11.677 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.399 -10.291 5.073 1.00 0.00 H new ATOM 266 N GLY A 25 11.935 -6.967 3.032 1.00 0.00 N ATOM 267 CA GLY A 25 13.140 -6.298 3.489 1.00 0.00 C ATOM 268 C GLY A 25 14.052 -5.887 2.350 1.00 0.00 C ATOM 269 O GLY A 25 13.850 -4.842 1.731 1.00 0.00 O ATOM 0 H GLY A 25 11.340 -6.409 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.864 -5.414 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.684 -6.960 4.163 1.00 0.00 H new ATOM 273 N ARG A 26 15.060 -6.714 2.072 1.00 0.00 N ATOM 274 CA ARG A 26 16.011 -6.443 1.003 1.00 0.00 C ATOM 275 C ARG A 26 16.463 -4.976 1.023 1.00 0.00 C ATOM 276 O ARG A 26 17.001 -4.507 2.026 1.00 0.00 O ATOM 277 CB ARG A 26 15.386 -6.829 -0.336 1.00 0.00 C ATOM 278 CG ARG A 26 15.151 -8.323 -0.487 1.00 0.00 C ATOM 279 CD ARG A 26 16.442 -9.110 -0.333 1.00 0.00 C ATOM 280 NE ARG A 26 16.288 -10.501 -0.748 1.00 0.00 N ATOM 281 CZ ARG A 26 17.123 -11.478 -0.399 1.00 0.00 C ATOM 282 NH1 ARG A 26 18.172 -11.218 0.372 1.00 0.00 N ATOM 283 NH2 ARG A 26 16.909 -12.716 -0.819 1.00 0.00 N ATOM 0 H ARG A 26 15.236 -7.582 2.578 1.00 0.00 H new ATOM 0 HA ARG A 26 16.907 -7.046 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.436 -6.307 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.035 -6.488 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.430 -8.656 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.714 -8.526 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.226 -8.640 -0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.765 -9.076 0.707 1.00 0.00 H new ATOM 0 HE ARG A 26 15.493 -10.739 -1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.341 -10.267 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.809 -11.969 0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.104 -12.922 -1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.549 -13.463 -0.551 1.00 0.00 H new ATOM 297 N THR A 27 16.249 -4.254 -0.074 1.00 0.00 N ATOM 298 CA THR A 27 16.645 -2.854 -0.150 1.00 0.00 C ATOM 299 C THR A 27 15.810 -1.996 0.786 1.00 0.00 C ATOM 300 O THR A 27 14.734 -2.396 1.231 1.00 0.00 O ATOM 301 CB THR A 27 16.543 -2.315 -1.580 1.00 0.00 C ATOM 302 OG1 THR A 27 16.287 -0.923 -1.572 1.00 0.00 O ATOM 303 CG2 THR A 27 15.465 -2.972 -2.417 1.00 0.00 C ATOM 0 H THR A 27 15.805 -4.615 -0.918 1.00 0.00 H new ATOM 0 HA THR A 27 17.688 -2.802 0.162 1.00 0.00 H new ATOM 0 HB THR A 27 17.508 -2.546 -2.032 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.227 -0.596 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.460 -2.532 -3.414 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.664 -4.041 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.494 -2.816 -1.947 1.00 0.00 H new ATOM 311 N LYS A 28 16.324 -0.811 1.077 1.00 0.00 N ATOM 312 CA LYS A 28 15.642 0.126 1.962 1.00 0.00 C ATOM 313 C LYS A 28 14.446 0.762 1.262 1.00 0.00 C ATOM 314 O LYS A 28 14.467 0.978 0.050 1.00 0.00 O ATOM 315 CB LYS A 28 16.610 1.214 2.431 1.00 0.00 C ATOM 316 CG LYS A 28 17.547 0.760 3.538 1.00 0.00 C ATOM 317 CD LYS A 28 18.910 1.421 3.418 1.00 0.00 C ATOM 318 CE LYS A 28 18.824 2.922 3.641 1.00 0.00 C ATOM 319 NZ LYS A 28 18.506 3.257 5.056 1.00 0.00 N ATOM 0 H LYS A 28 17.215 -0.473 0.713 1.00 0.00 H new ATOM 0 HA LYS A 28 15.281 -0.428 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.203 1.552 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.037 2.072 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.110 0.999 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.662 -0.323 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.593 0.983 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.326 1.222 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.771 3.385 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.059 3.343 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.622 4.280 5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.524 2.986 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.149 2.740 5.688 1.00 0.00 H new ATOM 333 N LEU A 29 13.404 1.055 2.031 1.00 0.00 N ATOM 334 CA LEU A 29 12.201 1.660 1.488 1.00 0.00 C ATOM 335 C LEU A 29 12.387 3.162 1.290 1.00 0.00 C ATOM 336 O LEU A 29 13.274 3.771 1.888 1.00 0.00 O ATOM 337 CB LEU A 29 11.011 1.399 2.413 1.00 0.00 C ATOM 338 CG LEU A 29 10.287 0.072 2.180 1.00 0.00 C ATOM 339 CD1 LEU A 29 9.142 -0.090 3.166 1.00 0.00 C ATOM 340 CD2 LEU A 29 9.777 -0.011 0.749 1.00 0.00 C ATOM 0 H LEU A 29 13.371 0.881 3.036 1.00 0.00 H new ATOM 0 HA LEU A 29 12.004 1.206 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.360 1.428 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.294 2.212 2.295 1.00 0.00 H new ATOM 0 HG LEU A 29 10.995 -0.741 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.638 -1.040 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.533 -0.074 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.433 0.727 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.264 -0.961 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.083 0.809 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.617 0.060 0.059 1.00 0.00 H new ATOM 352 N PRO A 30 11.548 3.782 0.441 1.00 0.00 N ATOM 353 CA PRO A 30 11.625 5.219 0.164 1.00 0.00 C ATOM 354 C PRO A 30 11.677 6.056 1.441 1.00 0.00 C ATOM 355 O PRO A 30 11.155 5.650 2.479 1.00 0.00 O ATOM 356 CB PRO A 30 10.334 5.498 -0.607 1.00 0.00 C ATOM 357 CG PRO A 30 10.003 4.203 -1.264 1.00 0.00 C ATOM 358 CD PRO A 30 10.461 3.129 -0.315 1.00 0.00 C ATOM 0 HA PRO A 30 12.531 5.482 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.535 5.820 0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.474 6.291 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.933 4.125 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.506 4.114 -2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.655 2.802 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.816 2.247 -0.848 1.00 0.00 H new ATOM 366 N PRO A 31 12.313 7.239 1.382 1.00 0.00 N ATOM 367 CA PRO A 31 12.433 8.131 2.542 1.00 0.00 C ATOM 368 C PRO A 31 11.076 8.509 3.127 1.00 0.00 C ATOM 369 O PRO A 31 10.471 9.503 2.725 1.00 0.00 O ATOM 370 CB PRO A 31 13.132 9.372 1.976 1.00 0.00 C ATOM 371 CG PRO A 31 13.827 8.896 0.748 1.00 0.00 C ATOM 372 CD PRO A 31 12.967 7.800 0.186 1.00 0.00 C ATOM 0 HA PRO A 31 12.976 7.657 3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.414 10.158 1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.839 9.788 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.947 9.706 0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.826 8.527 0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.239 8.185 -0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.561 7.050 -0.337 1.00 0.00 H new ATOM 380 N GLY A 32 10.606 7.715 4.084 1.00 0.00 N ATOM 381 CA GLY A 32 9.328 7.990 4.713 1.00 0.00 C ATOM 382 C GLY A 32 8.222 7.072 4.228 1.00 0.00 C ATOM 383 O GLY A 32 7.261 7.523 3.608 1.00 0.00 O ATOM 0 H GLY A 32 11.087 6.887 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.431 7.887 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.047 9.025 4.516 1.00 0.00 H new ATOM 387 N VAL A 33 8.358 5.781 4.515 1.00 0.00 N ATOM 388 CA VAL A 33 7.377 4.800 4.116 1.00 0.00 C ATOM 389 C VAL A 33 6.716 4.169 5.318 1.00 0.00 C ATOM 390 O VAL A 33 7.293 4.094 6.403 1.00 0.00 O ATOM 391 CB VAL A 33 7.988 3.720 3.219 1.00 0.00 C ATOM 392 CG1 VAL A 33 7.029 2.555 3.018 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.390 4.327 1.891 1.00 0.00 C ATOM 0 H VAL A 33 9.150 5.395 5.029 1.00 0.00 H new ATOM 0 HA VAL A 33 6.617 5.326 3.539 1.00 0.00 H new ATOM 0 HB VAL A 33 8.876 3.324 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.495 1.807 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.792 2.108 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.113 2.915 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.824 3.556 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.511 4.748 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.124 5.115 2.059 1.00 0.00 H new ATOM 403 N ASP A 34 5.485 3.747 5.115 1.00 0.00 N ATOM 404 CA ASP A 34 4.703 3.153 6.170 1.00 0.00 C ATOM 405 C ASP A 34 4.463 1.669 5.918 1.00 0.00 C ATOM 406 O ASP A 34 3.610 1.296 5.111 1.00 0.00 O ATOM 407 CB ASP A 34 3.380 3.898 6.264 1.00 0.00 C ATOM 408 CG ASP A 34 2.977 4.196 7.695 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.606 3.246 8.417 1.00 0.00 O ATOM 410 OD2 ASP A 34 3.032 5.378 8.094 1.00 0.00 O ATOM 0 H ASP A 34 5.004 3.807 4.218 1.00 0.00 H new ATOM 0 HA ASP A 34 5.248 3.234 7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.454 4.833 5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.599 3.306 5.787 1.00 0.00 H new ATOM 415 N ARG A 35 5.215 0.824 6.615 1.00 0.00 N ATOM 416 CA ARG A 35 5.079 -0.621 6.471 1.00 0.00 C ATOM 417 C ARG A 35 3.625 -1.051 6.652 1.00 0.00 C ATOM 418 O ARG A 35 3.131 -1.925 5.940 1.00 0.00 O ATOM 419 CB ARG A 35 5.967 -1.341 7.488 1.00 0.00 C ATOM 420 CG ARG A 35 7.304 -1.788 6.919 1.00 0.00 C ATOM 421 CD ARG A 35 8.470 -1.171 7.674 1.00 0.00 C ATOM 422 NE ARG A 35 9.620 -2.070 7.737 1.00 0.00 N ATOM 423 CZ ARG A 35 10.651 -1.900 8.562 1.00 0.00 C ATOM 424 NH1 ARG A 35 10.679 -0.868 9.396 1.00 0.00 N ATOM 425 NH2 ARG A 35 11.655 -2.765 8.555 1.00 0.00 N ATOM 0 H ARG A 35 5.926 1.115 7.286 1.00 0.00 H new ATOM 0 HA ARG A 35 5.397 -0.893 5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.145 -0.679 8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.435 -2.212 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.374 -2.875 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.363 -1.509 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.764 -0.240 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.153 -0.917 8.685 1.00 0.00 H new ATOM 0 HE ARG A 35 9.634 -2.876 7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.908 -0.200 9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.471 -0.743 10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.638 -3.561 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.445 -2.635 9.187 1.00 0.00 H new ATOM 439 N MET A 36 2.946 -0.430 7.613 1.00 0.00 N ATOM 440 CA MET A 36 1.556 -0.740 7.895 1.00 0.00 C ATOM 441 C MET A 36 0.606 0.191 7.143 1.00 0.00 C ATOM 442 O MET A 36 -0.603 0.171 7.372 1.00 0.00 O ATOM 443 CB MET A 36 1.291 -0.644 9.397 1.00 0.00 C ATOM 444 CG MET A 36 2.307 -1.393 10.246 1.00 0.00 C ATOM 445 SD MET A 36 3.252 -0.303 11.329 1.00 0.00 S ATOM 446 CE MET A 36 4.894 -0.479 10.639 1.00 0.00 C ATOM 0 H MET A 36 3.343 0.295 8.211 1.00 0.00 H new ATOM 0 HA MET A 36 1.369 -1.758 7.554 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.289 0.406 9.690 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.296 -1.036 9.607 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.790 -2.139 10.850 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.993 -1.932 9.593 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.634 -0.397 11.435 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.984 -1.453 10.158 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.065 0.306 9.903 1.00 0.00 H new ATOM 456 N ARG A 37 1.155 1.007 6.247 1.00 0.00 N ATOM 457 CA ARG A 37 0.348 1.941 5.470 1.00 0.00 C ATOM 458 C ARG A 37 0.991 2.195 4.111 1.00 0.00 C ATOM 459 O ARG A 37 1.131 3.339 3.676 1.00 0.00 O ATOM 460 CB ARG A 37 0.178 3.258 6.237 1.00 0.00 C ATOM 461 CG ARG A 37 -1.273 3.612 6.520 1.00 0.00 C ATOM 462 CD ARG A 37 -1.782 2.918 7.775 1.00 0.00 C ATOM 463 NE ARG A 37 -2.268 3.873 8.769 1.00 0.00 N ATOM 464 CZ ARG A 37 -2.410 3.590 10.062 1.00 0.00 C ATOM 465 NH1 ARG A 37 -2.106 2.383 10.522 1.00 0.00 N ATOM 466 NH2 ARG A 37 -2.859 4.517 10.897 1.00 0.00 N ATOM 0 H ARG A 37 2.154 1.040 6.042 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.637 1.502 5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.718 3.192 7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.635 4.065 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.369 4.692 6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.891 3.326 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.585 2.231 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.981 2.319 8.209 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.513 4.812 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.761 1.666 9.884 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.217 2.172 11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.095 5.446 10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.968 4.301 11.888 1.00 0.00 H new ATOM 480 N LEU A 38 1.385 1.115 3.446 1.00 0.00 N ATOM 481 CA LEU A 38 2.019 1.205 2.141 1.00 0.00 C ATOM 482 C LEU A 38 1.025 1.649 1.078 1.00 0.00 C ATOM 483 O LEU A 38 1.391 2.266 0.078 1.00 0.00 O ATOM 484 CB LEU A 38 2.606 -0.159 1.763 1.00 0.00 C ATOM 485 CG LEU A 38 4.137 -0.269 1.773 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.785 1.022 1.303 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.632 -0.642 3.162 1.00 0.00 C ATOM 0 H LEU A 38 1.274 0.163 3.794 1.00 0.00 H new ATOM 0 HA LEU A 38 2.814 1.948 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.205 -0.905 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.251 -0.419 0.766 1.00 0.00 H new ATOM 0 HG LEU A 38 4.423 -1.057 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.869 0.913 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.460 1.243 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.492 1.838 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.719 -0.716 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.326 0.124 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.205 -1.601 3.455 1.00 0.00 H new ATOM 499 N GLU A 39 -0.231 1.320 1.308 1.00 0.00 N ATOM 500 CA GLU A 39 -1.308 1.664 0.384 1.00 0.00 C ATOM 501 C GLU A 39 -1.312 3.158 0.082 1.00 0.00 C ATOM 502 O GLU A 39 -1.713 3.582 -1.001 1.00 0.00 O ATOM 503 CB GLU A 39 -2.658 1.244 0.963 1.00 0.00 C ATOM 504 CG GLU A 39 -2.724 -0.228 1.334 1.00 0.00 C ATOM 505 CD GLU A 39 -2.443 -0.472 2.802 1.00 0.00 C ATOM 506 OE1 GLU A 39 -1.270 -0.346 3.212 1.00 0.00 O ATOM 507 OE2 GLU A 39 -3.398 -0.789 3.544 1.00 0.00 O ATOM 0 H GLU A 39 -0.539 0.809 2.135 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.138 1.126 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.868 1.844 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.441 1.463 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.712 -0.617 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.004 -0.783 0.733 1.00 0.00 H new ATOM 514 N ARG A 40 -0.858 3.950 1.047 1.00 0.00 N ATOM 515 CA ARG A 40 -0.806 5.394 0.883 1.00 0.00 C ATOM 516 C ARG A 40 0.327 5.809 -0.055 1.00 0.00 C ATOM 517 O ARG A 40 0.454 6.980 -0.410 1.00 0.00 O ATOM 518 CB ARG A 40 -0.641 6.081 2.240 1.00 0.00 C ATOM 519 CG ARG A 40 -1.963 6.406 2.920 1.00 0.00 C ATOM 520 CD ARG A 40 -2.222 5.492 4.107 1.00 0.00 C ATOM 521 NE ARG A 40 -3.447 5.851 4.817 1.00 0.00 N ATOM 522 CZ ARG A 40 -4.671 5.642 4.336 1.00 0.00 C ATOM 523 NH1 ARG A 40 -4.838 5.076 3.148 1.00 0.00 N ATOM 524 NH2 ARG A 40 -5.733 5.998 5.048 1.00 0.00 N ATOM 0 H ARG A 40 -0.521 3.615 1.950 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.749 5.710 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.053 5.438 2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.074 7.002 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.955 7.444 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.776 6.308 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.292 4.460 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.377 5.542 4.794 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.360 6.287 5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.026 4.798 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.778 4.919 2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.611 6.432 5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.671 5.838 4.680 1.00 0.00 H new ATOM 538 N HIS A 41 1.143 4.840 -0.453 1.00 0.00 N ATOM 539 CA HIS A 41 2.263 5.099 -1.350 1.00 0.00 C ATOM 540 C HIS A 41 1.908 4.738 -2.788 1.00 0.00 C ATOM 541 O HIS A 41 2.490 5.273 -3.731 1.00 0.00 O ATOM 542 CB HIS A 41 3.490 4.309 -0.903 1.00 0.00 C ATOM 543 CG HIS A 41 4.146 4.871 0.316 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.063 5.895 0.273 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.009 4.547 1.620 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.463 6.175 1.499 1.00 0.00 C ATOM 547 NE2 HIS A 41 4.834 5.373 2.337 1.00 0.00 N ATOM 0 H HIS A 41 1.050 3.865 -0.168 1.00 0.00 H new ATOM 0 HA HIS A 41 2.488 6.165 -1.310 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.197 3.278 -0.706 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.214 4.285 -1.718 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.384 6.365 -0.574 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.367 3.778 2.023 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.183 6.932 1.771 1.00 0.00 H new ATOM 556 N LEU A 42 0.949 3.836 -2.955 1.00 0.00 N ATOM 557 CA LEU A 42 0.523 3.420 -4.272 1.00 0.00 C ATOM 558 C LEU A 42 -0.056 4.586 -5.040 1.00 0.00 C ATOM 559 O LEU A 42 -0.821 5.386 -4.501 1.00 0.00 O ATOM 560 CB LEU A 42 -0.541 2.337 -4.147 1.00 0.00 C ATOM 561 CG LEU A 42 -0.070 0.899 -4.355 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.261 0.032 -4.707 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.979 0.821 -5.457 1.00 0.00 C ATOM 0 H LEU A 42 0.454 3.381 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 42 1.391 3.036 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.989 2.410 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.329 2.547 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 42 0.387 0.541 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.931 -0.996 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.988 0.065 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.722 0.402 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.297 -0.214 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.553 1.187 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.839 1.434 -5.185 1.00 0.00 H new ATOM 575 N SER A 43 0.282 4.652 -6.317 1.00 0.00 N ATOM 576 CA SER A 43 -0.240 5.688 -7.167 1.00 0.00 C ATOM 577 C SER A 43 -1.690 5.393 -7.460 1.00 0.00 C ATOM 578 O SER A 43 -2.133 4.247 -7.376 1.00 0.00 O ATOM 579 CB SER A 43 0.542 5.777 -8.465 1.00 0.00 C ATOM 580 OG SER A 43 1.248 7.001 -8.564 1.00 0.00 O ATOM 0 H SER A 43 0.914 3.999 -6.779 1.00 0.00 H new ATOM 0 HA SER A 43 -0.147 6.646 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.244 4.945 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.141 5.680 -9.309 1.00 0.00 H new ATOM 0 HG SER A 43 1.742 7.026 -9.410 1.00 0.00 H new ATOM 586 N ALA A 44 -2.426 6.420 -7.801 1.00 0.00 N ATOM 587 CA ALA A 44 -3.836 6.258 -8.106 1.00 0.00 C ATOM 588 C ALA A 44 -4.026 5.239 -9.217 1.00 0.00 C ATOM 589 O ALA A 44 -5.006 4.494 -9.237 1.00 0.00 O ATOM 590 CB ALA A 44 -4.453 7.588 -8.496 1.00 0.00 C ATOM 0 H ALA A 44 -2.080 7.376 -7.876 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.341 5.893 -7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.510 7.447 -8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.349 8.293 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.944 7.981 -9.376 1.00 0.00 H new ATOM 596 N GLU A 45 -3.066 5.203 -10.128 1.00 0.00 N ATOM 597 CA GLU A 45 -3.098 4.276 -11.227 1.00 0.00 C ATOM 598 C GLU A 45 -2.751 2.881 -10.736 1.00 0.00 C ATOM 599 O GLU A 45 -3.069 1.885 -11.388 1.00 0.00 O ATOM 600 CB GLU A 45 -2.120 4.709 -12.321 1.00 0.00 C ATOM 601 CG GLU A 45 -2.393 6.102 -12.864 1.00 0.00 C ATOM 602 CD GLU A 45 -1.349 6.551 -13.868 1.00 0.00 C ATOM 603 OE1 GLU A 45 -0.240 5.978 -13.867 1.00 0.00 O ATOM 604 OE2 GLU A 45 -1.641 7.477 -14.653 1.00 0.00 O ATOM 0 H GLU A 45 -2.251 5.816 -10.119 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.103 4.266 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.105 4.675 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.165 3.993 -13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.376 6.118 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.425 6.811 -12.037 1.00 0.00 H new ATOM 611 N ASP A 46 -2.094 2.810 -9.577 1.00 0.00 N ATOM 612 CA ASP A 46 -1.714 1.541 -9.014 1.00 0.00 C ATOM 613 C ASP A 46 -2.774 1.017 -8.072 1.00 0.00 C ATOM 614 O ASP A 46 -3.158 -0.139 -8.170 1.00 0.00 O ATOM 615 CB ASP A 46 -0.373 1.617 -8.286 1.00 0.00 C ATOM 616 CG ASP A 46 0.796 1.793 -9.237 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.672 2.594 -10.187 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.834 1.130 -9.030 1.00 0.00 O ATOM 0 H ASP A 46 -1.821 3.621 -9.022 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.611 0.850 -9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.392 2.449 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.228 0.708 -7.702 1.00 0.00 H new ATOM 623 N PHE A 47 -3.259 1.853 -7.156 1.00 0.00 N ATOM 624 CA PHE A 47 -4.283 1.395 -6.233 1.00 0.00 C ATOM 625 C PHE A 47 -5.486 0.898 -7.010 1.00 0.00 C ATOM 626 O PHE A 47 -5.980 -0.209 -6.799 1.00 0.00 O ATOM 627 CB PHE A 47 -4.705 2.503 -5.272 1.00 0.00 C ATOM 628 CG PHE A 47 -5.789 2.057 -4.341 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.102 2.001 -4.773 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.492 1.668 -3.049 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.103 1.565 -3.932 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.488 1.233 -2.201 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.797 1.180 -2.645 1.00 0.00 C ATOM 0 H PHE A 47 -2.967 2.823 -7.037 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.866 0.580 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.841 2.828 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.050 3.366 -5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.345 2.302 -5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.471 1.705 -2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.124 1.525 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.247 0.934 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.579 0.837 -1.983 1.00 0.00 H new ATOM 643 N SER A 48 -5.935 1.741 -7.910 1.00 0.00 N ATOM 644 CA SER A 48 -7.079 1.442 -8.759 1.00 0.00 C ATOM 645 C SER A 48 -6.904 0.124 -9.495 1.00 0.00 C ATOM 646 O SER A 48 -7.868 -0.604 -9.728 1.00 0.00 O ATOM 647 CB SER A 48 -7.309 2.575 -9.760 1.00 0.00 C ATOM 648 OG SER A 48 -6.177 2.760 -10.592 1.00 0.00 O ATOM 0 H SER A 48 -5.521 2.658 -8.079 1.00 0.00 H new ATOM 0 HA SER A 48 -7.952 1.350 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.182 2.351 -10.373 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.525 3.499 -9.224 1.00 0.00 H new ATOM 0 HG SER A 48 -5.845 3.677 -10.494 1.00 0.00 H new ATOM 654 N ARG A 49 -5.672 -0.171 -9.864 1.00 0.00 N ATOM 655 CA ARG A 49 -5.365 -1.394 -10.579 1.00 0.00 C ATOM 656 C ARG A 49 -4.934 -2.508 -9.632 1.00 0.00 C ATOM 657 O ARG A 49 -4.964 -3.688 -9.981 1.00 0.00 O ATOM 658 CB ARG A 49 -4.275 -1.138 -11.620 1.00 0.00 C ATOM 659 CG ARG A 49 -4.819 -0.885 -13.018 1.00 0.00 C ATOM 660 CD ARG A 49 -4.035 0.203 -13.734 1.00 0.00 C ATOM 661 NE ARG A 49 -2.613 -0.119 -13.827 1.00 0.00 N ATOM 662 CZ ARG A 49 -2.100 -0.956 -14.725 1.00 0.00 C ATOM 663 NH1 ARG A 49 -2.888 -1.559 -15.607 1.00 0.00 N ATOM 664 NH2 ARG A 49 -0.795 -1.192 -14.741 1.00 0.00 N ATOM 0 H ARG A 49 -4.864 0.423 -9.679 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.275 -1.720 -11.082 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.681 -0.279 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.603 -1.996 -11.650 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.777 -1.807 -13.598 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.868 -0.597 -12.954 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.441 0.343 -14.736 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.159 1.148 -13.204 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.976 0.324 -13.165 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.892 -1.382 -15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.489 -2.200 -16.293 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.185 -0.732 -14.065 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.401 -1.834 -15.429 1.00 0.00 H new ATOM 678 N VAL A 50 -4.508 -2.111 -8.450 1.00 0.00 N ATOM 679 CA VAL A 50 -4.030 -3.032 -7.440 1.00 0.00 C ATOM 680 C VAL A 50 -5.169 -3.651 -6.634 1.00 0.00 C ATOM 681 O VAL A 50 -5.186 -4.859 -6.399 1.00 0.00 O ATOM 682 CB VAL A 50 -3.045 -2.313 -6.498 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.903 -3.005 -5.154 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.695 -2.213 -7.170 1.00 0.00 C ATOM 0 H VAL A 50 -4.484 -1.133 -8.162 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.520 -3.846 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.448 -1.320 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.197 -2.453 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.873 -3.038 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.537 -4.021 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.995 -1.705 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.324 -3.214 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.791 -1.648 -8.097 1.00 0.00 H new ATOM 694 N PHE A 51 -6.109 -2.821 -6.198 1.00 0.00 N ATOM 695 CA PHE A 51 -7.227 -3.298 -5.405 1.00 0.00 C ATOM 696 C PHE A 51 -8.546 -3.162 -6.160 1.00 0.00 C ATOM 697 O PHE A 51 -9.616 -3.406 -5.602 1.00 0.00 O ATOM 698 CB PHE A 51 -7.304 -2.525 -4.090 1.00 0.00 C ATOM 699 CG PHE A 51 -6.003 -2.479 -3.343 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.600 -3.553 -2.567 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.184 -1.361 -3.412 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.406 -3.515 -1.874 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.990 -1.318 -2.721 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.599 -2.396 -1.948 1.00 0.00 C ATOM 0 H PHE A 51 -6.116 -1.818 -6.381 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.062 -4.355 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.631 -1.506 -4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.063 -2.981 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.227 -4.430 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.484 -0.515 -4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.103 -4.360 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.361 -0.442 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.666 -2.363 -1.404 1.00 0.00 H new ATOM 714 N ALA A 52 -8.470 -2.778 -7.432 1.00 0.00 N ATOM 715 CA ALA A 52 -9.657 -2.619 -8.250 1.00 0.00 C ATOM 716 C ALA A 52 -10.672 -1.707 -7.573 1.00 0.00 C ATOM 717 O ALA A 52 -11.879 -1.947 -7.621 1.00 0.00 O ATOM 718 CB ALA A 52 -10.242 -3.985 -8.530 1.00 0.00 C ATOM 0 H ALA A 52 -7.595 -2.572 -7.914 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.388 -2.144 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.136 -3.879 -9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.508 -4.594 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.504 -4.468 -7.589 1.00 0.00 H new ATOM 724 N MET A 53 -10.161 -0.655 -6.944 1.00 0.00 N ATOM 725 CA MET A 53 -10.991 0.314 -6.252 1.00 0.00 C ATOM 726 C MET A 53 -10.384 1.702 -6.376 1.00 0.00 C ATOM 727 O MET A 53 -9.199 1.838 -6.660 1.00 0.00 O ATOM 728 CB MET A 53 -11.121 -0.054 -4.772 1.00 0.00 C ATOM 729 CG MET A 53 -12.375 -0.841 -4.440 1.00 0.00 C ATOM 730 SD MET A 53 -12.046 -2.596 -4.187 1.00 0.00 S ATOM 731 CE MET A 53 -10.761 -2.526 -2.938 1.00 0.00 C ATOM 0 H MET A 53 -9.162 -0.453 -6.901 1.00 0.00 H new ATOM 0 HA MET A 53 -11.981 0.308 -6.708 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.249 -0.637 -4.475 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.110 0.860 -4.178 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.832 -0.427 -3.541 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.098 -0.723 -5.247 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.452 -3.538 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.905 -1.975 -3.327 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.144 -2.023 -2.050 1.00 0.00 H new ATOM 741 N SER A 54 -11.183 2.730 -6.141 1.00 0.00 N ATOM 742 CA SER A 54 -10.680 4.086 -6.212 1.00 0.00 C ATOM 743 C SER A 54 -9.789 4.356 -5.017 1.00 0.00 C ATOM 744 O SER A 54 -10.031 3.854 -3.922 1.00 0.00 O ATOM 745 CB SER A 54 -11.834 5.090 -6.256 1.00 0.00 C ATOM 746 OG SER A 54 -12.803 4.798 -5.265 1.00 0.00 O ATOM 0 H SER A 54 -12.171 2.650 -5.902 1.00 0.00 H new ATOM 0 HA SER A 54 -10.099 4.201 -7.127 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.448 6.098 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.300 5.070 -7.241 1.00 0.00 H new ATOM 0 HG SER A 54 -13.599 5.350 -5.413 1.00 0.00 H new ATOM 752 N PRO A 55 -8.742 5.158 -5.202 1.00 0.00 N ATOM 753 CA PRO A 55 -7.825 5.487 -4.115 1.00 0.00 C ATOM 754 C PRO A 55 -8.603 6.008 -2.916 1.00 0.00 C ATOM 755 O PRO A 55 -8.262 5.768 -1.754 1.00 0.00 O ATOM 756 CB PRO A 55 -6.929 6.563 -4.733 1.00 0.00 C ATOM 757 CG PRO A 55 -6.986 6.284 -6.199 1.00 0.00 C ATOM 758 CD PRO A 55 -8.378 5.815 -6.465 1.00 0.00 C ATOM 0 HA PRO A 55 -7.252 4.638 -3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.292 7.565 -4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.909 6.499 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.757 7.179 -6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.256 5.526 -6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.047 6.643 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.419 5.125 -7.308 1.00 0.00 H new ATOM 766 N GLU A 56 -9.678 6.701 -3.237 1.00 0.00 N ATOM 767 CA GLU A 56 -10.572 7.260 -2.266 1.00 0.00 C ATOM 768 C GLU A 56 -11.367 6.169 -1.577 1.00 0.00 C ATOM 769 O GLU A 56 -11.570 6.208 -0.364 1.00 0.00 O ATOM 770 CB GLU A 56 -11.528 8.221 -2.954 1.00 0.00 C ATOM 771 CG GLU A 56 -12.070 7.723 -4.287 1.00 0.00 C ATOM 772 CD GLU A 56 -13.224 8.565 -4.796 1.00 0.00 C ATOM 773 OE1 GLU A 56 -14.342 8.426 -4.257 1.00 0.00 O ATOM 774 OE2 GLU A 56 -13.009 9.361 -5.734 1.00 0.00 O ATOM 0 H GLU A 56 -9.952 6.890 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.984 7.790 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.366 8.420 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.016 9.170 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.268 7.727 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.399 6.689 -4.179 1.00 0.00 H new ATOM 781 N GLU A 57 -11.813 5.191 -2.361 1.00 0.00 N ATOM 782 CA GLU A 57 -12.576 4.081 -1.833 1.00 0.00 C ATOM 783 C GLU A 57 -11.910 3.584 -0.570 1.00 0.00 C ATOM 784 O GLU A 57 -12.552 3.329 0.447 1.00 0.00 O ATOM 785 CB GLU A 57 -12.673 2.971 -2.875 1.00 0.00 C ATOM 786 CG GLU A 57 -13.994 2.953 -3.626 1.00 0.00 C ATOM 787 CD GLU A 57 -14.887 1.800 -3.206 1.00 0.00 C ATOM 788 OE1 GLU A 57 -14.749 1.330 -2.057 1.00 0.00 O ATOM 789 OE2 GLU A 57 -15.723 1.367 -4.027 1.00 0.00 O ATOM 0 H GLU A 57 -11.654 5.152 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.589 4.405 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.859 3.085 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.532 2.009 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.517 3.894 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.799 2.886 -4.696 1.00 0.00 H new ATOM 796 N PHE A 58 -10.605 3.505 -0.658 1.00 0.00 N ATOM 797 CA PHE A 58 -9.774 3.093 0.455 1.00 0.00 C ATOM 798 C PHE A 58 -9.851 4.126 1.569 1.00 0.00 C ATOM 799 O PHE A 58 -10.012 3.781 2.739 1.00 0.00 O ATOM 800 CB PHE A 58 -8.322 2.922 0.012 1.00 0.00 C ATOM 801 CG PHE A 58 -7.708 1.644 0.497 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.350 0.440 0.288 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.495 1.645 1.161 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.797 -0.741 0.731 1.00 0.00 C ATOM 805 CE2 PHE A 58 -5.937 0.469 1.608 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.590 -0.724 1.391 1.00 0.00 C ATOM 0 H PHE A 58 -10.083 3.725 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.141 2.135 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.274 2.951 -1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.734 3.763 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.298 0.424 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.980 2.579 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.309 -1.677 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.990 0.482 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.154 -1.648 1.740 1.00 0.00 H new ATOM 816 N GLY A 59 -9.741 5.400 1.194 1.00 0.00 N ATOM 817 CA GLY A 59 -9.810 6.460 2.179 1.00 0.00 C ATOM 818 C GLY A 59 -11.105 6.431 2.972 1.00 0.00 C ATOM 819 O GLY A 59 -11.194 7.024 4.046 1.00 0.00 O ATOM 0 H GLY A 59 -9.606 5.712 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.966 6.372 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.715 7.424 1.679 1.00 0.00 H new ATOM 823 N LYS A 60 -12.115 5.748 2.435 1.00 0.00 N ATOM 824 CA LYS A 60 -13.405 5.657 3.087 1.00 0.00 C ATOM 825 C LYS A 60 -13.601 4.319 3.792 1.00 0.00 C ATOM 826 O LYS A 60 -14.338 4.224 4.772 1.00 0.00 O ATOM 827 CB LYS A 60 -14.531 5.890 2.079 1.00 0.00 C ATOM 828 CG LYS A 60 -15.003 7.335 2.018 1.00 0.00 C ATOM 829 CD LYS A 60 -13.963 8.233 1.367 1.00 0.00 C ATOM 830 CE LYS A 60 -13.979 8.097 -0.146 1.00 0.00 C ATOM 831 NZ LYS A 60 -15.312 8.428 -0.720 1.00 0.00 N ATOM 0 H LYS A 60 -12.057 5.250 1.546 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.435 6.436 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.190 5.585 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.376 5.251 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.936 7.391 1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.215 7.693 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.153 9.270 1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.973 7.979 1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.225 8.755 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.708 7.078 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.200 8.720 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.928 7.591 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.741 9.204 -0.177 1.00 0.00 H new ATOM 845 N LEU A 61 -12.943 3.292 3.283 1.00 0.00 N ATOM 846 CA LEU A 61 -13.047 1.954 3.855 1.00 0.00 C ATOM 847 C LEU A 61 -12.672 1.953 5.334 1.00 0.00 C ATOM 848 O LEU A 61 -12.432 3.004 5.928 1.00 0.00 O ATOM 849 CB LEU A 61 -12.139 0.982 3.101 1.00 0.00 C ATOM 850 CG LEU A 61 -12.635 0.558 1.718 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.498 -0.057 0.922 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.793 -0.421 1.839 1.00 0.00 C ATOM 0 H LEU A 61 -12.328 3.356 2.472 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.085 1.634 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.156 1.441 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.007 0.088 3.710 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.993 1.443 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.862 -0.355 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.698 0.674 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.117 -0.932 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.131 -0.710 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.465 -1.307 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.614 0.052 2.378 1.00 0.00 H new ATOM 864 N ALA A 62 -12.615 0.759 5.917 1.00 0.00 N ATOM 865 CA ALA A 62 -12.256 0.603 7.320 1.00 0.00 C ATOM 866 C ALA A 62 -10.800 0.191 7.446 1.00 0.00 C ATOM 867 O ALA A 62 -10.052 0.234 6.472 1.00 0.00 O ATOM 868 CB ALA A 62 -13.155 -0.432 7.984 1.00 0.00 C ATOM 0 H ALA A 62 -12.814 -0.118 5.435 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.395 1.560 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.875 -0.538 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.194 -0.108 7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.040 -1.391 7.479 1.00 0.00 H new ATOM 874 N LEU A 63 -10.405 -0.222 8.641 1.00 0.00 N ATOM 875 CA LEU A 63 -9.036 -0.660 8.872 1.00 0.00 C ATOM 876 C LEU A 63 -8.909 -2.153 8.618 1.00 0.00 C ATOM 877 O LEU A 63 -7.832 -2.662 8.299 1.00 0.00 O ATOM 878 CB LEU A 63 -8.595 -0.324 10.301 1.00 0.00 C ATOM 879 CG LEU A 63 -7.410 0.637 10.401 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.198 0.066 9.683 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.779 1.998 9.830 1.00 0.00 C ATOM 0 H LEU A 63 -11.009 -0.263 9.462 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.384 -0.130 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.441 0.109 10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.336 -1.251 10.813 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.156 0.763 11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.365 0.764 9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.921 -0.885 10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.438 -0.090 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.924 2.670 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.059 1.889 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.618 2.412 10.389 1.00 0.00 H new ATOM 893 N TRP A 64 -10.025 -2.843 8.760 1.00 0.00 N ATOM 894 CA TRP A 64 -10.083 -4.269 8.560 1.00 0.00 C ATOM 895 C TRP A 64 -10.190 -4.610 7.081 1.00 0.00 C ATOM 896 O TRP A 64 -9.354 -5.338 6.545 1.00 0.00 O ATOM 897 CB TRP A 64 -11.264 -4.859 9.334 1.00 0.00 C ATOM 898 CG TRP A 64 -12.564 -4.156 9.071 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.024 -3.013 9.663 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.572 -4.552 8.140 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.259 -2.687 9.151 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.614 -3.617 8.223 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.689 -5.609 7.248 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.762 -3.708 7.447 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.829 -5.705 6.473 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.854 -4.756 6.581 1.00 0.00 C ATOM 0 H TRP A 64 -10.918 -2.423 9.019 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.159 -4.707 8.937 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.370 -5.912 9.072 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.046 -4.816 10.401 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.497 -2.450 10.419 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -14.818 -1.879 9.423 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.902 -6.344 7.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.552 -2.976 7.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.931 -6.523 5.775 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.735 -4.857 5.965 1.00 0.00 H new ATOM 917 N LYS A 65 -11.211 -4.075 6.416 1.00 0.00 N ATOM 918 CA LYS A 65 -11.391 -4.330 4.998 1.00 0.00 C ATOM 919 C LYS A 65 -10.152 -3.877 4.244 1.00 0.00 C ATOM 920 O LYS A 65 -9.706 -4.533 3.304 1.00 0.00 O ATOM 921 CB LYS A 65 -12.652 -3.638 4.459 1.00 0.00 C ATOM 922 CG LYS A 65 -12.897 -2.245 5.005 1.00 0.00 C ATOM 923 CD LYS A 65 -14.355 -2.057 5.411 1.00 0.00 C ATOM 924 CE LYS A 65 -15.007 -0.903 4.667 1.00 0.00 C ATOM 925 NZ LYS A 65 -15.928 -1.381 3.598 1.00 0.00 N ATOM 0 H LYS A 65 -11.917 -3.469 6.835 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.528 -5.401 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.581 -3.580 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.517 -4.260 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.252 -2.071 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.629 -1.504 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.908 -2.975 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.412 -1.875 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.560 -0.283 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.235 -0.273 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.300 -0.566 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.411 -2.007 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.717 -1.904 4.028 1.00 0.00 H new ATOM 939 N ARG A 66 -9.576 -2.770 4.696 1.00 0.00 N ATOM 940 CA ARG A 66 -8.365 -2.246 4.107 1.00 0.00 C ATOM 941 C ARG A 66 -7.239 -3.254 4.281 1.00 0.00 C ATOM 942 O ARG A 66 -6.449 -3.488 3.366 1.00 0.00 O ATOM 943 CB ARG A 66 -7.995 -0.933 4.787 1.00 0.00 C ATOM 944 CG ARG A 66 -8.421 0.302 4.008 1.00 0.00 C ATOM 945 CD ARG A 66 -7.475 1.471 4.239 1.00 0.00 C ATOM 946 NE ARG A 66 -6.089 1.036 4.381 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.133 1.773 4.942 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.403 2.995 5.386 1.00 0.00 N ATOM 949 NH2 ARG A 66 -3.905 1.288 5.060 1.00 0.00 N ATOM 0 H ARG A 66 -9.937 -2.219 5.475 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.524 -2.066 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.454 -0.904 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.916 -0.903 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.455 0.067 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.431 0.588 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.552 2.169 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.779 2.011 5.136 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.838 0.112 4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.346 3.373 5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.667 3.556 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.692 0.350 4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.173 1.853 5.490 1.00 0.00 H new ATOM 963 N ASN A 67 -7.179 -3.857 5.469 1.00 0.00 N ATOM 964 CA ASN A 67 -6.169 -4.840 5.773 1.00 0.00 C ATOM 965 C ASN A 67 -6.335 -6.067 4.882 1.00 0.00 C ATOM 966 O ASN A 67 -5.361 -6.584 4.335 1.00 0.00 O ATOM 967 CB ASN A 67 -6.274 -5.231 7.244 1.00 0.00 C ATOM 968 CG ASN A 67 -5.282 -4.486 8.115 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.179 -4.157 7.681 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.674 -4.209 9.354 1.00 0.00 N ATOM 0 H ASN A 67 -7.828 -3.672 6.233 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.183 -4.415 5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.285 -5.031 7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.107 -6.303 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.051 -3.705 9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.598 -4.500 9.674 1.00 0.00 H new ATOM 977 N GLU A 68 -7.577 -6.527 4.738 1.00 0.00 N ATOM 978 CA GLU A 68 -7.868 -7.688 3.916 1.00 0.00 C ATOM 979 C GLU A 68 -7.526 -7.432 2.456 1.00 0.00 C ATOM 980 O GLU A 68 -7.306 -8.365 1.683 1.00 0.00 O ATOM 981 CB GLU A 68 -9.339 -8.084 4.051 1.00 0.00 C ATOM 982 CG GLU A 68 -9.695 -8.651 5.416 1.00 0.00 C ATOM 983 CD GLU A 68 -10.309 -10.035 5.332 1.00 0.00 C ATOM 984 OE1 GLU A 68 -10.909 -10.356 4.285 1.00 0.00 O ATOM 985 OE2 GLU A 68 -10.192 -10.797 6.315 1.00 0.00 O ATOM 0 H GLU A 68 -8.395 -6.109 5.182 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.246 -8.510 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.961 -7.210 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.579 -8.823 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.797 -8.693 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.393 -7.978 5.914 1.00 0.00 H new ATOM 992 N LEU A 69 -7.487 -6.162 2.089 1.00 0.00 N ATOM 993 CA LEU A 69 -7.176 -5.762 0.721 1.00 0.00 C ATOM 994 C LEU A 69 -5.683 -5.554 0.537 1.00 0.00 C ATOM 995 O LEU A 69 -5.072 -6.134 -0.360 1.00 0.00 O ATOM 996 CB LEU A 69 -7.924 -4.477 0.368 1.00 0.00 C ATOM 997 CG LEU A 69 -9.433 -4.642 0.228 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.090 -3.312 -0.111 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.745 -5.687 -0.831 1.00 0.00 C ATOM 0 H LEU A 69 -7.668 -5.383 2.722 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.495 -6.563 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.723 -3.731 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.526 -4.085 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.839 -4.981 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.167 -3.452 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.887 -2.593 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.688 -2.937 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.825 -5.799 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.328 -5.371 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.305 -6.641 -0.541 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.101 -4.723 1.389 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.683 -4.435 1.326 1.00 0.00 C ATOM 1013 C LYS A 70 -2.873 -5.724 1.271 1.00 0.00 C ATOM 1014 O LYS A 70 -1.798 -5.770 0.672 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.292 -3.565 2.524 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.702 -4.327 3.701 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.920 -3.580 5.007 1.00 0.00 C ATOM 1018 CE LYS A 70 -1.822 -2.559 5.260 1.00 0.00 C ATOM 1019 NZ LYS A 70 -2.355 -1.302 5.856 1.00 0.00 N ATOM 0 H LYS A 70 -5.596 -4.235 2.136 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.461 -3.883 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.569 -2.819 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.174 -3.024 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.159 -5.315 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.635 -4.479 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.886 -3.077 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.953 -4.291 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.075 -2.988 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.317 -2.330 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.564 -0.688 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.944 -0.808 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.930 -1.531 6.692 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.408 -6.775 1.879 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.743 -8.066 1.873 1.00 0.00 C ATOM 1035 C LYS A 71 -2.773 -8.657 0.477 1.00 0.00 C ATOM 1036 O LYS A 71 -1.847 -9.354 0.061 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.392 -9.020 2.878 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.486 -9.388 4.041 1.00 0.00 C ATOM 1039 CD LYS A 71 -3.244 -10.142 5.122 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.258 -9.250 5.819 1.00 0.00 C ATOM 1041 NZ LYS A 71 -5.572 -9.932 5.992 1.00 0.00 N ATOM 0 H LYS A 71 -4.296 -6.757 2.380 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.705 -7.923 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.301 -8.561 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.692 -9.931 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.660 -10.001 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.050 -8.483 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.754 -10.998 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.539 -10.535 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.871 -8.954 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.396 -8.337 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.236 -9.290 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.954 -10.192 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.445 -10.790 6.566 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.831 -8.345 -0.247 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.982 -8.809 -1.609 1.00 0.00 C ATOM 1057 C LYS A 72 -2.862 -8.244 -2.462 1.00 0.00 C ATOM 1058 O LYS A 72 -2.374 -8.888 -3.392 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.342 -8.400 -2.177 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.515 -8.807 -1.302 1.00 0.00 C ATOM 1061 CD LYS A 72 -6.729 -10.312 -1.322 1.00 0.00 C ATOM 1062 CE LYS A 72 -7.400 -10.795 -0.047 1.00 0.00 C ATOM 1063 NZ LYS A 72 -8.826 -10.374 0.024 1.00 0.00 N ATOM 0 H LYS A 72 -4.602 -7.768 0.090 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.929 -9.898 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.359 -7.319 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.463 -8.847 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.338 -8.477 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.419 -8.305 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.342 -10.582 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.770 -10.816 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.339 -11.882 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.863 -10.404 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.390 -11.131 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.905 -9.509 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.181 -10.187 -0.936 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.459 -7.034 -2.116 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.392 -6.349 -2.810 1.00 0.00 C ATOM 1079 C ALA A 73 -0.043 -6.596 -2.134 1.00 0.00 C ATOM 1080 O ALA A 73 1.004 -6.266 -2.689 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.688 -4.860 -2.882 1.00 0.00 C ATOM 0 H ALA A 73 -2.864 -6.502 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.333 -6.748 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.878 -4.353 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.624 -4.701 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.775 -4.457 -1.873 1.00 0.00 H new ATOM 1087 N SER A 74 -0.071 -7.173 -0.928 1.00 0.00 N ATOM 1088 CA SER A 74 1.152 -7.456 -0.182 1.00 0.00 C ATOM 1089 C SER A 74 1.711 -6.187 0.456 1.00 0.00 C ATOM 1090 O SER A 74 2.850 -6.165 0.921 1.00 0.00 O ATOM 1091 CB SER A 74 2.208 -8.097 -1.089 1.00 0.00 C ATOM 1092 OG SER A 74 2.818 -9.209 -0.457 1.00 0.00 O ATOM 0 H SER A 74 -0.928 -7.452 -0.451 1.00 0.00 H new ATOM 0 HA SER A 74 0.900 -8.159 0.612 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.745 -8.415 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.968 -7.359 -1.345 1.00 0.00 H new ATOM 0 HG SER A 74 3.486 -9.600 -1.057 1.00 0.00 H new ATOM 1098 N LEU A 75 0.899 -5.132 0.482 1.00 0.00 N ATOM 1099 CA LEU A 75 1.313 -3.867 1.074 1.00 0.00 C ATOM 1100 C LEU A 75 1.186 -3.914 2.596 1.00 0.00 C ATOM 1101 O LEU A 75 1.599 -2.986 3.292 1.00 0.00 O ATOM 1102 CB LEU A 75 0.471 -2.718 0.505 1.00 0.00 C ATOM 1103 CG LEU A 75 0.424 -2.640 -1.025 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.032 -1.263 -1.482 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.784 -2.976 -1.617 1.00 0.00 C ATOM 0 H LEU A 75 -0.047 -5.130 0.100 1.00 0.00 H new ATOM 0 HA LEU A 75 2.360 -3.696 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.548 -2.815 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.863 -1.776 0.889 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.299 -3.373 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.058 -1.231 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.029 -1.061 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.663 -0.509 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.733 -2.916 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.526 -2.267 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.069 -3.986 -1.323 1.00 0.00 H new ATOM 1117 N PHE A 76 0.615 -5.005 3.103 1.00 0.00 N ATOM 1118 CA PHE A 76 0.434 -5.183 4.536 1.00 0.00 C ATOM 1119 C PHE A 76 1.782 -5.268 5.247 1.00 0.00 C ATOM 1120 O PHE A 76 2.576 -6.167 4.899 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.390 -6.444 4.812 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.139 -6.408 6.116 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.485 -6.102 7.300 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.497 -6.682 6.158 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.171 -6.072 8.499 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.187 -6.653 7.354 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.524 -6.347 8.526 1.00 0.00 C ATOM 1128 OXT PHE A 76 2.030 -4.436 6.143 1.00 0.00 O ATOM 0 H PHE A 76 0.270 -5.780 2.537 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.103 -4.317 4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.102 -6.586 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.274 -7.308 4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.573 -5.885 7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.022 -6.921 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.650 -5.834 9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.245 -6.870 7.373 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.063 -6.323 9.462 1.00 0.00 H new TER 1138 PHE A 76