USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 597 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 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 1 GLN N :NH3+ -166:sc=-0.00648 (180deg=-0.233) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0194) USER MOD Single : A 5 TYR OH : rot 179:sc= 0.0122 USER MOD Single : A 7 TYR OH : rot -35:sc= 0.515 USER MOD Single : A 9 SER OG : rot 180:sc= -1.76! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.56! C(o=-3.6!,f=-8.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.0441 K(o=0.044,f=-3.8!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 39 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 140:sc= -5.64! (180deg=-9.75!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.9!) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= -2.98 (180deg=-4.71!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.746 -0.120 0.708 1.00 34.54 N ATOM 2 CA GLN A 1 2.328 -0.044 -0.626 1.00 51.12 C ATOM 3 C GLN A 1 1.989 -1.288 -1.440 1.00 61.32 C ATOM 4 O GLN A 1 1.853 -1.225 -2.662 1.00 53.22 O ATOM 5 CB GLN A 1 3.846 0.122 -0.535 1.00 13.54 C ATOM 6 CG GLN A 1 4.487 0.583 -1.834 1.00 12.23 C ATOM 7 CD GLN A 1 5.897 1.104 -1.636 1.00 55.41 C ATOM 8 OE1 GLN A 1 6.240 2.191 -2.103 1.00 64.54 O ATOM 9 NE2 GLN A 1 6.722 0.331 -0.940 1.00 71.04 N ATOM 0 H1 GLN A 1 1.782 0.818 1.157 1.00 34.54 H new ATOM 0 H2 GLN A 1 0.756 -0.432 0.638 1.00 34.54 H new ATOM 0 H3 GLN A 1 2.283 -0.800 1.283 1.00 34.54 H new ATOM 0 HA GLN A 1 1.904 0.824 -1.130 1.00 51.12 H new ATOM 0 HB2 GLN A 1 4.078 0.842 0.250 1.00 13.54 H new ATOM 0 HB3 GLN A 1 4.290 -0.828 -0.238 1.00 13.54 H new ATOM 0 HG2 GLN A 1 4.506 -0.247 -2.540 1.00 12.23 H new ATOM 0 HG3 GLN A 1 3.874 1.366 -2.280 1.00 12.23 H new ATOM 0 HE21 GLN A 1 6.395 -0.562 -0.572 1.00 71.04 H new ATOM 0 HE22 GLN A 1 7.683 0.630 -0.774 1.00 71.04 H new ATOM 18 N TYR A 2 1.855 -2.419 -0.755 1.00 41.53 N ATOM 19 CA TYR A 2 1.535 -3.679 -1.415 1.00 50.32 C ATOM 20 C TYR A 2 0.489 -4.458 -0.624 1.00 54.41 C ATOM 21 O TYR A 2 -0.001 -3.994 0.406 1.00 52.31 O ATOM 22 CB TYR A 2 2.798 -4.525 -1.584 1.00 33.53 C ATOM 23 CG TYR A 2 3.700 -4.051 -2.700 1.00 62.32 C ATOM 24 CD1 TYR A 2 4.703 -3.120 -2.462 1.00 11.33 C ATOM 25 CD2 TYR A 2 3.551 -4.536 -3.994 1.00 33.01 C ATOM 26 CE1 TYR A 2 5.529 -2.683 -3.479 1.00 61.31 C ATOM 27 CE2 TYR A 2 4.373 -4.106 -5.017 1.00 64.42 C ATOM 28 CZ TYR A 2 5.361 -3.180 -4.755 1.00 13.41 C ATOM 29 OH TYR A 2 6.183 -2.748 -5.771 1.00 34.42 O ATOM 0 H TYR A 2 1.963 -2.489 0.257 1.00 41.53 H new ATOM 0 HA TYR A 2 1.124 -3.451 -2.399 1.00 50.32 H new ATOM 0 HB2 TYR A 2 3.357 -4.518 -0.649 1.00 33.53 H new ATOM 0 HB3 TYR A 2 2.510 -5.559 -1.776 1.00 33.53 H new ATOM 0 HD1 TYR A 2 4.839 -2.731 -1.464 1.00 11.33 H new ATOM 0 HD2 TYR A 2 2.779 -5.262 -4.203 1.00 33.01 H new ATOM 0 HE1 TYR A 2 6.302 -1.956 -3.277 1.00 61.31 H new ATOM 0 HE2 TYR A 2 4.243 -4.493 -6.017 1.00 64.42 H new ATOM 0 HH TYR A 2 5.934 -3.196 -6.606 1.00 34.42 H new ATOM 39 N LYS A 3 0.150 -5.646 -1.113 1.00 44.11 N ATOM 40 CA LYS A 3 -0.836 -6.493 -0.453 1.00 50.21 C ATOM 41 C LYS A 3 -0.156 -7.536 0.428 1.00 45.14 C ATOM 42 O LYS A 3 0.659 -8.328 -0.048 1.00 54.45 O ATOM 43 CB LYS A 3 -1.720 -7.186 -1.492 1.00 53.22 C ATOM 44 CG LYS A 3 -3.000 -7.764 -0.913 1.00 53.55 C ATOM 45 CD LYS A 3 -3.932 -8.259 -2.006 1.00 75.13 C ATOM 46 CE LYS A 3 -4.609 -7.104 -2.728 1.00 42.23 C ATOM 47 NZ LYS A 3 -5.704 -6.506 -1.915 1.00 61.40 N ATOM 0 H LYS A 3 0.544 -6.044 -1.965 1.00 44.11 H new ATOM 0 HA LYS A 3 -1.457 -5.859 0.179 1.00 50.21 H new ATOM 0 HB2 LYS A 3 -1.975 -6.471 -2.274 1.00 53.22 H new ATOM 0 HB3 LYS A 3 -1.151 -7.986 -1.965 1.00 53.22 H new ATOM 0 HG2 LYS A 3 -2.757 -8.587 -0.240 1.00 53.55 H new ATOM 0 HG3 LYS A 3 -3.507 -7.004 -0.318 1.00 53.55 H new ATOM 0 HD2 LYS A 3 -3.369 -8.857 -2.722 1.00 75.13 H new ATOM 0 HD3 LYS A 3 -4.689 -8.912 -1.572 1.00 75.13 H new ATOM 0 HE2 LYS A 3 -3.869 -6.338 -2.960 1.00 42.23 H new ATOM 0 HE3 LYS A 3 -5.012 -7.456 -3.677 1.00 42.23 H new ATOM 0 HZ1 LYS A 3 -6.206 -5.792 -2.480 1.00 61.40 H new ATOM 0 HZ2 LYS A 3 -6.370 -7.251 -1.629 1.00 61.40 H new ATOM 0 HZ3 LYS A 3 -5.302 -6.057 -1.068 1.00 61.40 H new ATOM 61 N ILE A 4 -0.495 -7.531 1.712 1.00 32.41 N ATOM 62 CA ILE A 4 0.082 -8.479 2.658 1.00 75.15 C ATOM 63 C ILE A 4 -0.332 -9.909 2.324 1.00 5.31 C ATOM 64 O ILE A 4 -1.443 -10.334 2.639 1.00 20.44 O ATOM 65 CB ILE A 4 -0.340 -8.159 4.104 1.00 53.03 C ATOM 66 CG1 ILE A 4 -0.020 -6.701 4.441 1.00 72.24 C ATOM 67 CG2 ILE A 4 0.354 -9.098 5.078 1.00 23.33 C ATOM 68 CD1 ILE A 4 1.460 -6.390 4.430 1.00 0.43 C ATOM 0 H ILE A 4 -1.166 -6.881 2.122 1.00 32.41 H new ATOM 0 HA ILE A 4 1.165 -8.388 2.576 1.00 75.15 H new ATOM 0 HB ILE A 4 -1.416 -8.305 4.194 1.00 53.03 H new ATOM 0 HG12 ILE A 4 -0.525 -6.052 3.726 1.00 72.24 H new ATOM 0 HG13 ILE A 4 -0.425 -6.467 5.425 1.00 72.24 H new ATOM 0 HG21 ILE A 4 0.046 -8.859 6.096 1.00 23.33 H new ATOM 0 HG22 ILE A 4 0.081 -10.128 4.848 1.00 23.33 H new ATOM 0 HG23 ILE A 4 1.434 -8.981 4.989 1.00 23.33 H new ATOM 0 HD11 ILE A 4 1.613 -5.340 4.677 1.00 0.43 H new ATOM 0 HD12 ILE A 4 1.968 -7.014 5.165 1.00 0.43 H new ATOM 0 HD13 ILE A 4 1.867 -6.592 3.439 1.00 0.43 H new ATOM 80 N TYR A 5 0.571 -10.646 1.686 1.00 11.42 N ATOM 81 CA TYR A 5 0.301 -12.028 1.309 1.00 15.12 C ATOM 82 C TYR A 5 0.760 -12.990 2.401 1.00 74.14 C ATOM 83 O TYR A 5 1.580 -12.654 3.255 1.00 34.34 O ATOM 84 CB TYR A 5 0.998 -12.365 -0.010 1.00 3.33 C ATOM 85 CG TYR A 5 0.181 -12.017 -1.233 1.00 41.42 C ATOM 86 CD1 TYR A 5 -1.122 -12.476 -1.376 1.00 35.32 C ATOM 87 CD2 TYR A 5 0.712 -11.229 -2.247 1.00 24.00 C ATOM 88 CE1 TYR A 5 -1.873 -12.161 -2.492 1.00 62.42 C ATOM 89 CE2 TYR A 5 -0.031 -10.908 -3.366 1.00 51.01 C ATOM 90 CZ TYR A 5 -1.323 -11.377 -3.484 1.00 41.43 C ATOM 91 OH TYR A 5 -2.066 -11.060 -4.598 1.00 73.22 O ATOM 0 H TYR A 5 1.496 -10.309 1.419 1.00 11.42 H new ATOM 0 HA TYR A 5 -0.776 -12.139 1.181 1.00 15.12 H new ATOM 0 HB2 TYR A 5 1.948 -11.833 -0.055 1.00 3.33 H new ATOM 0 HB3 TYR A 5 1.228 -13.430 -0.028 1.00 3.33 H new ATOM 0 HD1 TYR A 5 -1.556 -13.090 -0.601 1.00 35.32 H new ATOM 0 HD2 TYR A 5 1.724 -10.861 -2.158 1.00 24.00 H new ATOM 0 HE1 TYR A 5 -2.885 -12.527 -2.587 1.00 62.42 H new ATOM 0 HE2 TYR A 5 0.397 -10.293 -4.144 1.00 51.01 H new ATOM 0 HH TYR A 5 -1.537 -10.487 -5.192 1.00 73.22 H new ATOM 101 N PRO A 6 0.219 -14.217 2.372 1.00 70.23 N ATOM 102 CA PRO A 6 0.558 -15.255 3.350 1.00 42.11 C ATOM 103 C PRO A 6 1.982 -15.772 3.177 1.00 44.43 C ATOM 104 O PRO A 6 2.447 -15.974 2.055 1.00 63.42 O ATOM 105 CB PRO A 6 -0.453 -16.365 3.054 1.00 31.33 C ATOM 106 CG PRO A 6 -0.824 -16.169 1.625 1.00 71.11 C ATOM 107 CD PRO A 6 -0.765 -14.686 1.381 1.00 23.44 C ATOM 0 HA PRO A 6 0.514 -14.881 4.373 1.00 42.11 H new ATOM 0 HB2 PRO A 6 -0.018 -17.351 3.218 1.00 31.33 H new ATOM 0 HB3 PRO A 6 -1.325 -16.289 3.703 1.00 31.33 H new ATOM 0 HG2 PRO A 6 -0.136 -16.700 0.967 1.00 71.11 H new ATOM 0 HG3 PRO A 6 -1.822 -16.558 1.424 1.00 71.11 H new ATOM 0 HD2 PRO A 6 -0.450 -14.458 0.363 1.00 23.44 H new ATOM 0 HD3 PRO A 6 -1.737 -14.216 1.526 1.00 23.44 H new ATOM 115 N TYR A 7 2.670 -15.983 4.293 1.00 32.04 N ATOM 116 CA TYR A 7 4.042 -16.474 4.265 1.00 63.54 C ATOM 117 C TYR A 7 4.081 -17.964 3.935 1.00 11.41 C ATOM 118 O TYR A 7 5.026 -18.449 3.313 1.00 23.05 O ATOM 119 CB TYR A 7 4.726 -16.220 5.609 1.00 35.43 C ATOM 120 CG TYR A 7 6.094 -16.853 5.722 1.00 2.12 C ATOM 121 CD1 TYR A 7 7.199 -16.278 5.107 1.00 45.03 C ATOM 122 CD2 TYR A 7 6.282 -18.026 6.443 1.00 2.41 C ATOM 123 CE1 TYR A 7 8.452 -16.853 5.206 1.00 11.54 C ATOM 124 CE2 TYR A 7 7.531 -18.606 6.549 1.00 21.33 C ATOM 125 CZ TYR A 7 8.613 -18.016 5.929 1.00 33.31 C ATOM 126 OH TYR A 7 9.858 -18.592 6.031 1.00 21.44 O ATOM 0 H TYR A 7 2.299 -15.821 5.229 1.00 32.04 H new ATOM 0 HA TYR A 7 4.578 -15.933 3.485 1.00 63.54 H new ATOM 0 HB2 TYR A 7 4.819 -15.145 5.762 1.00 35.43 H new ATOM 0 HB3 TYR A 7 4.091 -16.602 6.408 1.00 35.43 H new ATOM 0 HD1 TYR A 7 7.077 -15.366 4.542 1.00 45.03 H new ATOM 0 HD2 TYR A 7 5.437 -18.492 6.929 1.00 2.41 H new ATOM 0 HE1 TYR A 7 9.300 -16.394 4.720 1.00 11.54 H new ATOM 0 HE2 TYR A 7 7.660 -19.517 7.115 1.00 21.33 H new ATOM 0 HH TYR A 7 10.348 -18.462 5.193 1.00 21.44 H new ATOM 136 N ASP A 8 3.046 -18.683 4.356 1.00 43.31 N ATOM 137 CA ASP A 8 2.959 -20.117 4.105 1.00 42.41 C ATOM 138 C ASP A 8 2.746 -20.397 2.621 1.00 52.44 C ATOM 139 O ASP A 8 3.216 -21.405 2.095 1.00 25.20 O ATOM 140 CB ASP A 8 1.821 -20.731 4.921 1.00 12.33 C ATOM 141 CG ASP A 8 0.521 -19.966 4.768 1.00 74.32 C ATOM 142 OD1 ASP A 8 -0.081 -20.033 3.676 1.00 72.31 O ATOM 143 OD2 ASP A 8 0.105 -19.300 5.739 1.00 23.24 O ATOM 0 H ASP A 8 2.256 -18.296 4.872 1.00 43.31 H new ATOM 0 HA ASP A 8 3.901 -20.572 4.410 1.00 42.41 H new ATOM 0 HB2 ASP A 8 1.670 -21.764 4.609 1.00 12.33 H new ATOM 0 HB3 ASP A 8 2.104 -20.754 5.973 1.00 12.33 H new ATOM 148 N SER A 9 2.032 -19.497 1.951 1.00 61.34 N ATOM 149 CA SER A 9 1.752 -19.650 0.528 1.00 51.13 C ATOM 150 C SER A 9 2.804 -18.933 -0.313 1.00 62.51 C ATOM 151 O SER A 9 2.926 -19.175 -1.515 1.00 31.22 O ATOM 152 CB SER A 9 0.361 -19.104 0.199 1.00 43.42 C ATOM 153 OG SER A 9 -0.423 -20.075 -0.471 1.00 60.24 O ATOM 0 H SER A 9 1.637 -18.655 2.371 1.00 61.34 H new ATOM 0 HA SER A 9 1.784 -20.713 0.289 1.00 51.13 H new ATOM 0 HB2 SER A 9 -0.140 -18.799 1.118 1.00 43.42 H new ATOM 0 HB3 SER A 9 0.454 -18.214 -0.424 1.00 43.42 H new ATOM 0 HG SER A 9 -1.307 -19.702 -0.668 1.00 60.24 H new ATOM 159 N LEU A 10 3.563 -18.051 0.327 1.00 51.40 N ATOM 160 CA LEU A 10 4.606 -17.297 -0.360 1.00 61.55 C ATOM 161 C LEU A 10 5.905 -18.095 -0.418 1.00 4.54 C ATOM 162 O LEU A 10 6.618 -18.068 -1.422 1.00 12.44 O ATOM 163 CB LEU A 10 4.845 -15.960 0.343 1.00 22.52 C ATOM 164 CG LEU A 10 4.001 -14.784 -0.147 1.00 14.34 C ATOM 165 CD1 LEU A 10 4.296 -13.537 0.673 1.00 41.04 C ATOM 166 CD2 LEU A 10 4.253 -14.525 -1.625 1.00 33.02 C ATOM 0 H LEU A 10 3.476 -17.840 1.321 1.00 51.40 H new ATOM 0 HA LEU A 10 4.271 -17.108 -1.380 1.00 61.55 H new ATOM 0 HB2 LEU A 10 4.660 -16.095 1.409 1.00 22.52 H new ATOM 0 HB3 LEU A 10 5.897 -15.697 0.232 1.00 22.52 H new ATOM 0 HG LEU A 10 2.949 -15.038 -0.018 1.00 14.34 H new ATOM 0 HD11 LEU A 10 3.686 -12.710 0.310 1.00 41.04 H new ATOM 0 HD12 LEU A 10 4.063 -13.727 1.721 1.00 41.04 H new ATOM 0 HD13 LEU A 10 5.351 -13.279 0.577 1.00 41.04 H new ATOM 0 HD21 LEU A 10 3.643 -13.684 -1.956 1.00 33.02 H new ATOM 0 HD22 LEU A 10 5.307 -14.292 -1.779 1.00 33.02 H new ATOM 0 HD23 LEU A 10 3.990 -15.413 -2.200 1.00 33.02 H new ATOM 178 N ILE A 11 6.206 -18.804 0.665 1.00 61.23 N ATOM 179 CA ILE A 11 7.418 -19.612 0.736 1.00 54.51 C ATOM 180 C ILE A 11 7.493 -20.594 -0.428 1.00 51.20 C ATOM 181 O ILE A 11 6.556 -21.353 -0.676 1.00 12.23 O ATOM 182 CB ILE A 11 7.495 -20.395 2.060 1.00 42.22 C ATOM 183 CG1 ILE A 11 6.200 -21.177 2.292 1.00 45.53 C ATOM 184 CG2 ILE A 11 7.764 -19.448 3.220 1.00 31.32 C ATOM 185 CD1 ILE A 11 6.193 -21.964 3.583 1.00 23.20 C ATOM 0 H ILE A 11 5.628 -18.835 1.505 1.00 61.23 H new ATOM 0 HA ILE A 11 8.261 -18.923 0.681 1.00 54.51 H new ATOM 0 HB ILE A 11 8.319 -21.105 1.998 1.00 42.22 H new ATOM 0 HG12 ILE A 11 5.361 -20.482 2.295 1.00 45.53 H new ATOM 0 HG13 ILE A 11 6.044 -21.861 1.458 1.00 45.53 H new ATOM 0 HG21 ILE A 11 7.816 -20.016 4.149 1.00 31.32 H new ATOM 0 HG22 ILE A 11 8.710 -18.932 3.057 1.00 31.32 H new ATOM 0 HG23 ILE A 11 6.959 -18.716 3.287 1.00 31.32 H new ATOM 0 HD11 ILE A 11 5.245 -22.493 3.681 1.00 23.20 H new ATOM 0 HD12 ILE A 11 7.011 -22.684 3.575 1.00 23.20 H new ATOM 0 HD13 ILE A 11 6.318 -21.283 4.425 1.00 23.20 H new ATOM 197 N VAL A 12 8.616 -20.575 -1.139 1.00 72.13 N ATOM 198 CA VAL A 12 8.816 -21.466 -2.276 1.00 34.10 C ATOM 199 C VAL A 12 8.716 -22.927 -1.853 1.00 21.41 C ATOM 200 O VAL A 12 8.344 -23.792 -2.647 1.00 43.13 O ATOM 201 CB VAL A 12 10.184 -21.228 -2.942 1.00 52.10 C ATOM 202 CG1 VAL A 12 10.406 -19.744 -3.191 1.00 13.22 C ATOM 203 CG2 VAL A 12 11.300 -21.806 -2.086 1.00 65.21 C ATOM 0 H VAL A 12 9.401 -19.952 -0.948 1.00 72.13 H new ATOM 0 HA VAL A 12 8.027 -21.244 -2.995 1.00 34.10 H new ATOM 0 HB VAL A 12 10.194 -21.739 -3.905 1.00 52.10 H new ATOM 0 HG11 VAL A 12 11.378 -19.595 -3.662 1.00 13.22 H new ATOM 0 HG12 VAL A 12 9.623 -19.364 -3.847 1.00 13.22 H new ATOM 0 HG13 VAL A 12 10.377 -19.208 -2.243 1.00 13.22 H new ATOM 0 HG21 VAL A 12 12.260 -21.629 -2.571 1.00 65.21 H new ATOM 0 HG22 VAL A 12 11.294 -21.326 -1.108 1.00 65.21 H new ATOM 0 HG23 VAL A 12 11.147 -22.878 -1.965 1.00 65.21 H new ATOM 213 N THR A 13 9.051 -23.198 -0.595 1.00 14.21 N ATOM 214 CA THR A 13 9.000 -24.555 -0.065 1.00 53.43 C ATOM 215 C THR A 13 7.602 -25.147 -0.204 1.00 41.01 C ATOM 216 O THR A 13 7.437 -26.365 -0.258 1.00 15.24 O ATOM 217 CB THR A 13 9.417 -24.595 1.417 1.00 63.12 C ATOM 218 OG1 THR A 13 9.309 -25.931 1.920 1.00 73.40 O ATOM 219 CG2 THR A 13 8.550 -23.662 2.249 1.00 64.40 C ATOM 0 H THR A 13 9.361 -22.495 0.076 1.00 14.21 H new ATOM 0 HA THR A 13 9.703 -25.149 -0.649 1.00 53.43 H new ATOM 0 HB THR A 13 10.453 -24.263 1.489 1.00 63.12 H new ATOM 0 HG1 THR A 13 9.577 -25.948 2.862 1.00 73.40 H new ATOM 0 HG21 THR A 13 8.863 -23.708 3.292 1.00 64.40 H new ATOM 0 HG22 THR A 13 8.658 -22.641 1.882 1.00 64.40 H new ATOM 0 HG23 THR A 13 7.507 -23.968 2.170 1.00 64.40 H new ATOM 227 N ASN A 14 6.599 -24.277 -0.263 1.00 32.24 N ATOM 228 CA ASN A 14 5.214 -24.715 -0.395 1.00 61.35 C ATOM 229 C ASN A 14 4.737 -24.580 -1.838 1.00 70.23 C ATOM 230 O ASN A 14 3.580 -24.864 -2.149 1.00 50.43 O ATOM 231 CB ASN A 14 4.309 -23.902 0.531 1.00 13.53 C ATOM 232 CG ASN A 14 3.065 -24.666 0.942 1.00 52.14 C ATOM 233 OD1 ASN A 14 1.980 -24.442 0.404 1.00 31.34 O ATOM 234 ND2 ASN A 14 3.217 -25.574 1.899 1.00 43.42 N ATOM 0 H ASN A 14 6.719 -23.265 -0.222 1.00 32.24 H new ATOM 0 HA ASN A 14 5.163 -25.766 -0.110 1.00 61.35 H new ATOM 0 HB2 ASN A 14 4.868 -23.617 1.422 1.00 13.53 H new ATOM 0 HB3 ASN A 14 4.016 -22.979 0.030 1.00 13.53 H new ATOM 0 HD21 ASN A 14 2.416 -26.119 2.216 1.00 43.42 H new ATOM 0 HD22 ASN A 14 4.135 -25.726 2.317 1.00 43.42 H new ATOM 241 N ARG A 15 5.636 -24.146 -2.715 1.00 65.10 N ATOM 242 CA ARG A 15 5.308 -23.973 -4.125 1.00 15.22 C ATOM 243 C ARG A 15 4.760 -25.267 -4.718 1.00 73.43 C ATOM 244 O ARG A 15 4.012 -25.245 -5.696 1.00 74.41 O ATOM 245 CB ARG A 15 6.543 -23.523 -4.907 1.00 71.21 C ATOM 246 CG ARG A 15 7.498 -24.657 -5.241 1.00 62.13 C ATOM 247 CD ARG A 15 8.915 -24.148 -5.452 1.00 44.34 C ATOM 248 NE ARG A 15 9.125 -23.662 -6.814 1.00 24.24 N ATOM 249 CZ ARG A 15 9.286 -24.461 -7.862 1.00 65.53 C ATOM 250 NH1 ARG A 15 9.261 -25.778 -7.707 1.00 2.13 N ATOM 251 NH2 ARG A 15 9.473 -23.944 -9.070 1.00 32.11 N ATOM 0 H ARG A 15 6.598 -23.908 -2.474 1.00 65.10 H new ATOM 0 HA ARG A 15 4.539 -23.204 -4.202 1.00 15.22 H new ATOM 0 HB2 ARG A 15 6.222 -23.045 -5.832 1.00 71.21 H new ATOM 0 HB3 ARG A 15 7.076 -22.770 -4.327 1.00 71.21 H new ATOM 0 HG2 ARG A 15 7.490 -25.390 -4.435 1.00 62.13 H new ATOM 0 HG3 ARG A 15 7.156 -25.169 -6.141 1.00 62.13 H new ATOM 0 HD2 ARG A 15 9.121 -23.345 -4.745 1.00 44.34 H new ATOM 0 HD3 ARG A 15 9.623 -24.949 -5.240 1.00 44.34 H new ATOM 0 HE ARG A 15 9.149 -22.654 -6.968 1.00 24.24 H new ATOM 0 HH11 ARG A 15 9.118 -26.180 -6.781 1.00 2.13 H new ATOM 0 HH12 ARG A 15 9.385 -26.389 -8.514 1.00 2.13 H new ATOM 0 HH21 ARG A 15 9.493 -22.932 -9.194 1.00 32.11 H new ATOM 0 HH22 ARG A 15 9.597 -24.559 -9.874 1.00 32.11 H new ATOM 265 N ILE A 16 5.138 -26.392 -4.121 1.00 71.41 N ATOM 266 CA ILE A 16 4.684 -27.696 -4.590 1.00 41.34 C ATOM 267 C ILE A 16 3.220 -27.929 -4.234 1.00 52.12 C ATOM 268 O ILE A 16 2.516 -28.676 -4.915 1.00 3.33 O ATOM 269 CB ILE A 16 5.533 -28.835 -3.996 1.00 41.12 C ATOM 270 CG1 ILE A 16 5.013 -30.192 -4.476 1.00 11.42 C ATOM 271 CG2 ILE A 16 5.524 -28.765 -2.476 1.00 73.24 C ATOM 272 CD1 ILE A 16 5.023 -30.345 -5.981 1.00 11.13 C ATOM 0 H ILE A 16 5.758 -26.427 -3.311 1.00 71.41 H new ATOM 0 HA ILE A 16 4.796 -27.698 -5.674 1.00 41.34 H new ATOM 0 HB ILE A 16 6.561 -28.719 -4.339 1.00 41.12 H new ATOM 0 HG12 ILE A 16 5.621 -30.982 -4.035 1.00 11.42 H new ATOM 0 HG13 ILE A 16 3.995 -30.332 -4.111 1.00 11.42 H new ATOM 0 HG21 ILE A 16 6.128 -29.577 -2.071 1.00 73.24 H new ATOM 0 HG22 ILE A 16 5.937 -27.809 -2.153 1.00 73.24 H new ATOM 0 HG23 ILE A 16 4.500 -28.859 -2.113 1.00 73.24 H new ATOM 0 HD11 ILE A 16 4.642 -31.330 -6.249 1.00 11.13 H new ATOM 0 HD12 ILE A 16 4.392 -29.577 -6.429 1.00 11.13 H new ATOM 0 HD13 ILE A 16 6.043 -30.238 -6.351 1.00 11.13 H new ATOM 284 N ARG A 17 2.767 -27.284 -3.164 1.00 53.44 N ATOM 285 CA ARG A 17 1.386 -27.420 -2.718 1.00 34.11 C ATOM 286 C ARG A 17 0.518 -26.300 -3.284 1.00 1.54 C ATOM 287 O ARG A 17 -0.544 -26.550 -3.853 1.00 53.21 O ATOM 288 CB ARG A 17 1.318 -27.410 -1.190 1.00 11.24 C ATOM 289 CG ARG A 17 2.391 -28.259 -0.527 1.00 14.42 C ATOM 290 CD ARG A 17 2.376 -29.685 -1.053 1.00 22.31 C ATOM 291 NE ARG A 17 1.057 -30.300 -0.931 1.00 23.53 N ATOM 292 CZ ARG A 17 0.774 -31.524 -1.363 1.00 23.20 C ATOM 293 NH1 ARG A 17 1.713 -32.260 -1.942 1.00 50.24 N ATOM 294 NH2 ARG A 17 -0.450 -32.015 -1.216 1.00 2.34 N ATOM 0 H ARG A 17 3.336 -26.662 -2.590 1.00 53.44 H new ATOM 0 HA ARG A 17 1.004 -28.372 -3.086 1.00 34.11 H new ATOM 0 HB2 ARG A 17 1.410 -26.383 -0.837 1.00 11.24 H new ATOM 0 HB3 ARG A 17 0.338 -27.768 -0.876 1.00 11.24 H new ATOM 0 HG2 ARG A 17 3.370 -27.814 -0.705 1.00 14.42 H new ATOM 0 HG3 ARG A 17 2.236 -28.266 0.552 1.00 14.42 H new ATOM 0 HD2 ARG A 17 2.682 -29.689 -2.099 1.00 22.31 H new ATOM 0 HD3 ARG A 17 3.106 -30.281 -0.505 1.00 22.31 H new ATOM 0 HE ARG A 17 0.312 -29.760 -0.490 1.00 23.53 H new ATOM 0 HH11 ARG A 17 2.655 -31.887 -2.057 1.00 50.24 H new ATOM 0 HH12 ARG A 17 1.493 -33.199 -2.273 1.00 50.24 H new ATOM 0 HH21 ARG A 17 -1.175 -31.452 -0.771 1.00 2.34 H new ATOM 0 HH22 ARG A 17 -0.666 -32.955 -1.548 1.00 2.34 H new ATOM 308 N VAL A 18 0.978 -25.063 -3.122 1.00 41.12 N ATOM 309 CA VAL A 18 0.245 -23.904 -3.617 1.00 0.20 C ATOM 310 C VAL A 18 1.174 -22.930 -4.333 1.00 65.30 C ATOM 311 O VAL A 18 2.322 -22.738 -3.929 1.00 35.20 O ATOM 312 CB VAL A 18 -0.473 -23.164 -2.473 1.00 0.51 C ATOM 313 CG1 VAL A 18 0.532 -22.665 -1.446 1.00 30.14 C ATOM 314 CG2 VAL A 18 -1.302 -22.012 -3.022 1.00 34.44 C ATOM 0 H VAL A 18 1.855 -24.838 -2.652 1.00 41.12 H new ATOM 0 HA VAL A 18 -0.498 -24.277 -4.322 1.00 0.20 H new ATOM 0 HB VAL A 18 -1.146 -23.863 -1.977 1.00 0.51 H new ATOM 0 HG11 VAL A 18 0.006 -22.145 -0.645 1.00 30.14 H new ATOM 0 HG12 VAL A 18 1.079 -23.512 -1.031 1.00 30.14 H new ATOM 0 HG13 VAL A 18 1.232 -21.981 -1.925 1.00 30.14 H new ATOM 0 HG21 VAL A 18 -1.803 -21.500 -2.200 1.00 34.44 H new ATOM 0 HG22 VAL A 18 -0.650 -21.311 -3.543 1.00 34.44 H new ATOM 0 HG23 VAL A 18 -2.048 -22.399 -3.716 1.00 34.44 H new ATOM 324 N LYS A 19 0.672 -22.317 -5.399 1.00 60.02 N ATOM 325 CA LYS A 19 1.455 -21.361 -6.173 1.00 5.15 C ATOM 326 C LYS A 19 1.086 -19.928 -5.801 1.00 61.34 C ATOM 327 O LYS A 19 0.068 -19.687 -5.151 1.00 70.41 O ATOM 328 CB LYS A 19 1.236 -21.584 -7.671 1.00 10.44 C ATOM 329 CG LYS A 19 1.255 -23.047 -8.077 1.00 51.01 C ATOM 330 CD LYS A 19 -0.150 -23.619 -8.168 1.00 10.31 C ATOM 331 CE LYS A 19 -0.178 -25.091 -7.788 1.00 32.21 C ATOM 332 NZ LYS A 19 0.393 -25.952 -8.861 1.00 12.14 N ATOM 0 H LYS A 19 -0.275 -22.465 -5.747 1.00 60.02 H new ATOM 0 HA LYS A 19 2.508 -21.518 -5.940 1.00 5.15 H new ATOM 0 HB2 LYS A 19 0.279 -21.148 -7.959 1.00 10.44 H new ATOM 0 HB3 LYS A 19 2.008 -21.052 -8.226 1.00 10.44 H new ATOM 0 HG2 LYS A 19 1.754 -23.152 -9.040 1.00 51.01 H new ATOM 0 HG3 LYS A 19 1.835 -23.619 -7.353 1.00 51.01 H new ATOM 0 HD2 LYS A 19 -0.815 -23.060 -7.510 1.00 10.31 H new ATOM 0 HD3 LYS A 19 -0.529 -23.497 -9.183 1.00 10.31 H new ATOM 0 HE2 LYS A 19 0.384 -25.239 -6.866 1.00 32.21 H new ATOM 0 HE3 LYS A 19 -1.205 -25.395 -7.587 1.00 32.21 H new ATOM 0 HZ1 LYS A 19 0.356 -26.948 -8.564 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -0.159 -25.831 -9.734 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 1.381 -25.680 -9.036 1.00 12.14 H new ATOM 346 N LEU A 20 1.918 -18.981 -6.219 1.00 51.42 N ATOM 347 CA LEU A 20 1.678 -17.571 -5.932 1.00 13.40 C ATOM 348 C LEU A 20 0.707 -16.967 -6.942 1.00 44.31 C ATOM 349 O LEU A 20 0.593 -17.423 -8.080 1.00 23.22 O ATOM 350 CB LEU A 20 2.996 -16.795 -5.947 1.00 40.12 C ATOM 351 CG LEU A 20 4.214 -17.530 -5.385 1.00 54.43 C ATOM 352 CD1 LEU A 20 5.491 -16.770 -5.707 1.00 40.23 C ATOM 353 CD2 LEU A 20 4.072 -17.726 -3.883 1.00 13.31 C ATOM 0 H LEU A 20 2.765 -19.164 -6.758 1.00 51.42 H new ATOM 0 HA LEU A 20 1.233 -17.499 -4.940 1.00 13.40 H new ATOM 0 HB2 LEU A 20 3.213 -16.507 -6.976 1.00 40.12 H new ATOM 0 HB3 LEU A 20 2.859 -15.874 -5.380 1.00 40.12 H new ATOM 0 HG LEU A 20 4.271 -18.512 -5.855 1.00 54.43 H new ATOM 0 HD11 LEU A 20 6.347 -17.308 -5.299 1.00 40.23 H new ATOM 0 HD12 LEU A 20 5.599 -16.682 -6.788 1.00 40.23 H new ATOM 0 HD13 LEU A 20 5.444 -15.775 -5.265 1.00 40.23 H new ATOM 0 HD21 LEU A 20 4.947 -18.251 -3.500 1.00 13.31 H new ATOM 0 HD22 LEU A 20 3.989 -16.755 -3.396 1.00 13.31 H new ATOM 0 HD23 LEU A 20 3.178 -18.314 -3.676 1.00 13.31 H new ATOM 365 N PRO A 21 -0.008 -15.914 -6.519 1.00 42.45 N ATOM 366 CA PRO A 21 -0.979 -15.222 -7.373 1.00 20.53 C ATOM 367 C PRO A 21 -0.309 -14.440 -8.497 1.00 72.45 C ATOM 368 O PRO A 21 0.894 -14.568 -8.726 1.00 72.40 O ATOM 369 CB PRO A 21 -1.686 -14.269 -6.406 1.00 24.23 C ATOM 370 CG PRO A 21 -0.698 -14.035 -5.315 1.00 60.12 C ATOM 371 CD PRO A 21 0.077 -15.316 -5.176 1.00 72.32 C ATOM 0 HA PRO A 21 -1.651 -15.919 -7.874 1.00 20.53 H new ATOM 0 HB2 PRO A 21 -1.960 -13.336 -6.899 1.00 24.23 H new ATOM 0 HB3 PRO A 21 -2.606 -14.708 -6.020 1.00 24.23 H new ATOM 0 HG2 PRO A 21 -0.037 -13.204 -5.559 1.00 60.12 H new ATOM 0 HG3 PRO A 21 -1.200 -13.780 -4.382 1.00 60.12 H new ATOM 0 HD2 PRO A 21 1.111 -15.131 -4.883 1.00 72.32 H new ATOM 0 HD3 PRO A 21 -0.357 -15.968 -4.418 1.00 72.32 H new ATOM 379 N LYS A 22 -1.095 -13.630 -9.198 1.00 12.44 N ATOM 380 CA LYS A 22 -0.579 -12.825 -10.298 1.00 43.50 C ATOM 381 C LYS A 22 -0.201 -11.426 -9.819 1.00 32.40 C ATOM 382 O LYS A 22 0.753 -10.827 -10.314 1.00 64.02 O ATOM 383 CB LYS A 22 -1.617 -12.728 -11.418 1.00 32.30 C ATOM 384 CG LYS A 22 -2.991 -12.292 -10.938 1.00 64.11 C ATOM 385 CD LYS A 22 -3.587 -11.230 -11.846 1.00 52.30 C ATOM 386 CE LYS A 22 -2.792 -9.934 -11.785 1.00 74.32 C ATOM 387 NZ LYS A 22 -2.428 -9.443 -13.143 1.00 2.02 N ATOM 0 H LYS A 22 -2.093 -13.514 -9.023 1.00 12.44 H new ATOM 0 HA LYS A 22 0.317 -13.313 -10.682 1.00 43.50 H new ATOM 0 HB2 LYS A 22 -1.263 -12.022 -12.170 1.00 32.30 H new ATOM 0 HB3 LYS A 22 -1.703 -13.698 -11.907 1.00 32.30 H new ATOM 0 HG2 LYS A 22 -3.655 -13.155 -10.901 1.00 64.11 H new ATOM 0 HG3 LYS A 22 -2.916 -11.904 -9.922 1.00 64.11 H new ATOM 0 HD2 LYS A 22 -3.608 -11.597 -12.872 1.00 52.30 H new ATOM 0 HD3 LYS A 22 -4.620 -11.039 -11.555 1.00 52.30 H new ATOM 0 HE2 LYS A 22 -3.377 -9.173 -11.268 1.00 74.32 H new ATOM 0 HE3 LYS A 22 -1.886 -10.091 -11.200 1.00 74.32 H new ATOM 0 HZ1 LYS A 22 -1.887 -8.559 -13.059 1.00 2.02 H new ATOM 0 HZ2 LYS A 22 -1.849 -10.158 -13.627 1.00 2.02 H new ATOM 0 HZ3 LYS A 22 -3.293 -9.269 -13.693 1.00 2.02 H new ATOM 401 N ASP A 23 -0.955 -10.914 -8.853 1.00 1.42 N ATOM 402 CA ASP A 23 -0.698 -9.587 -8.305 1.00 5.11 C ATOM 403 C ASP A 23 0.349 -9.650 -7.197 1.00 20.12 C ATOM 404 O ASP A 23 0.141 -9.128 -6.101 1.00 60.15 O ATOM 405 CB ASP A 23 -1.991 -8.974 -7.767 1.00 55.00 C ATOM 406 CG ASP A 23 -3.011 -8.721 -8.861 1.00 5.14 C ATOM 407 OD1 ASP A 23 -2.858 -7.722 -9.595 1.00 22.12 O ATOM 408 OD2 ASP A 23 -3.960 -9.522 -8.983 1.00 34.13 O ATOM 0 H ASP A 23 -1.749 -11.397 -8.433 1.00 1.42 H new ATOM 0 HA ASP A 23 -0.314 -8.958 -9.108 1.00 5.11 H new ATOM 0 HB2 ASP A 23 -2.422 -9.640 -7.019 1.00 55.00 H new ATOM 0 HB3 ASP A 23 -1.762 -8.035 -7.263 1.00 55.00 H new ATOM 413 N VAL A 24 1.475 -10.294 -7.489 1.00 33.11 N ATOM 414 CA VAL A 24 2.554 -10.426 -6.518 1.00 1.03 C ATOM 415 C VAL A 24 3.916 -10.398 -7.202 1.00 51.43 C ATOM 416 O VAL A 24 4.119 -11.043 -8.231 1.00 14.00 O ATOM 417 CB VAL A 24 2.425 -11.731 -5.709 1.00 43.41 C ATOM 418 CG1 VAL A 24 2.677 -12.938 -6.599 1.00 43.14 C ATOM 419 CG2 VAL A 24 3.382 -11.721 -4.527 1.00 3.23 C ATOM 0 H VAL A 24 1.663 -10.732 -8.391 1.00 33.11 H new ATOM 0 HA VAL A 24 2.474 -9.577 -5.839 1.00 1.03 H new ATOM 0 HB VAL A 24 1.408 -11.800 -5.323 1.00 43.41 H new ATOM 0 HG11 VAL A 24 2.582 -13.850 -6.010 1.00 43.14 H new ATOM 0 HG12 VAL A 24 1.948 -12.951 -7.409 1.00 43.14 H new ATOM 0 HG13 VAL A 24 3.682 -12.879 -7.016 1.00 43.14 H new ATOM 0 HG21 VAL A 24 3.278 -12.650 -3.967 1.00 3.23 H new ATOM 0 HG22 VAL A 24 4.406 -11.628 -4.889 1.00 3.23 H new ATOM 0 HG23 VAL A 24 3.149 -10.877 -3.877 1.00 3.23 H new ATOM 429 N ASP A 25 4.847 -9.646 -6.625 1.00 34.13 N ATOM 430 CA ASP A 25 6.191 -9.534 -7.178 1.00 62.41 C ATOM 431 C ASP A 25 7.083 -10.663 -6.671 1.00 60.52 C ATOM 432 O ASP A 25 6.768 -11.318 -5.677 1.00 51.03 O ATOM 433 CB ASP A 25 6.804 -8.181 -6.815 1.00 25.21 C ATOM 434 CG ASP A 25 7.828 -7.717 -7.833 1.00 32.32 C ATOM 435 OD1 ASP A 25 7.591 -7.913 -9.043 1.00 60.10 O ATOM 436 OD2 ASP A 25 8.866 -7.159 -7.419 1.00 72.22 O ATOM 0 H ASP A 25 4.695 -9.105 -5.774 1.00 34.13 H new ATOM 0 HA ASP A 25 6.118 -9.612 -8.263 1.00 62.41 H new ATOM 0 HB2 ASP A 25 6.012 -7.436 -6.735 1.00 25.21 H new ATOM 0 HB3 ASP A 25 7.276 -8.250 -5.835 1.00 25.21 H new ATOM 441 N ARG A 26 8.196 -10.887 -7.362 1.00 5.44 N ATOM 442 CA ARG A 26 9.133 -11.938 -6.983 1.00 34.12 C ATOM 443 C ARG A 26 10.477 -11.346 -6.571 1.00 24.21 C ATOM 444 O ARG A 26 11.225 -11.951 -5.802 1.00 24.01 O ATOM 445 CB ARG A 26 9.328 -12.918 -8.141 1.00 71.11 C ATOM 446 CG ARG A 26 8.037 -13.281 -8.856 1.00 53.23 C ATOM 447 CD ARG A 26 7.023 -13.892 -7.901 1.00 4.30 C ATOM 448 NE ARG A 26 6.269 -14.976 -8.524 1.00 13.05 N ATOM 449 CZ ARG A 26 6.781 -16.174 -8.783 1.00 44.40 C ATOM 450 NH1 ARG A 26 8.043 -16.439 -8.475 1.00 23.22 N ATOM 451 NH2 ARG A 26 6.031 -17.109 -9.351 1.00 41.25 N ATOM 0 H ARG A 26 8.471 -10.355 -8.187 1.00 5.44 H new ATOM 0 HA ARG A 26 8.715 -12.473 -6.130 1.00 34.12 H new ATOM 0 HB2 ARG A 26 10.022 -12.483 -8.860 1.00 71.11 H new ATOM 0 HB3 ARG A 26 9.791 -13.829 -7.761 1.00 71.11 H new ATOM 0 HG2 ARG A 26 7.612 -12.389 -9.317 1.00 53.23 H new ATOM 0 HG3 ARG A 26 8.251 -13.985 -9.660 1.00 53.23 H new ATOM 0 HD2 ARG A 26 7.538 -14.270 -7.018 1.00 4.30 H new ATOM 0 HD3 ARG A 26 6.333 -13.119 -7.561 1.00 4.30 H new ATOM 0 HE ARG A 26 5.295 -14.804 -8.774 1.00 13.05 H new ATOM 0 HH11 ARG A 26 8.623 -15.722 -8.038 1.00 23.22 H new ATOM 0 HH12 ARG A 26 8.434 -17.360 -8.675 1.00 23.22 H new ATOM 0 HH21 ARG A 26 5.060 -16.909 -9.590 1.00 41.25 H new ATOM 0 HH22 ARG A 26 6.426 -18.028 -9.549 1.00 41.25 H new ATOM 465 N THR A 27 10.779 -10.159 -7.088 1.00 64.44 N ATOM 466 CA THR A 27 12.034 -9.486 -6.776 1.00 71.44 C ATOM 467 C THR A 27 11.967 -8.802 -5.416 1.00 22.32 C ATOM 468 O THR A 27 12.927 -8.837 -4.646 1.00 1.44 O ATOM 469 CB THR A 27 12.391 -8.439 -7.848 1.00 21.11 C ATOM 470 OG1 THR A 27 12.351 -9.036 -9.149 1.00 1.11 O ATOM 471 CG2 THR A 27 13.773 -7.855 -7.595 1.00 32.35 C ATOM 0 H THR A 27 10.171 -9.644 -7.725 1.00 64.44 H new ATOM 0 HA THR A 27 12.808 -10.253 -6.756 1.00 71.44 H new ATOM 0 HB THR A 27 11.658 -7.634 -7.796 1.00 21.11 H new ATOM 0 HG1 THR A 27 12.577 -8.363 -9.825 1.00 1.11 H new ATOM 0 HG21 THR A 27 14.003 -7.118 -8.365 1.00 32.35 H new ATOM 0 HG22 THR A 27 13.792 -7.375 -6.616 1.00 32.35 H new ATOM 0 HG23 THR A 27 14.516 -8.652 -7.623 1.00 32.35 H new ATOM 479 N ARG A 28 10.828 -8.182 -5.126 1.00 22.14 N ATOM 480 CA ARG A 28 10.637 -7.489 -3.857 1.00 62.41 C ATOM 481 C ARG A 28 9.417 -8.033 -3.119 1.00 42.12 C ATOM 482 O ARG A 28 8.452 -7.308 -2.875 1.00 54.05 O ATOM 483 CB ARG A 28 10.477 -5.986 -4.092 1.00 32.24 C ATOM 484 CG ARG A 28 11.534 -5.397 -5.011 1.00 73.15 C ATOM 485 CD ARG A 28 12.911 -5.424 -4.367 1.00 72.52 C ATOM 486 NE ARG A 28 12.975 -4.580 -3.178 1.00 5.34 N ATOM 487 CZ ARG A 28 13.096 -3.258 -3.221 1.00 12.42 C ATOM 488 NH1 ARG A 28 13.164 -2.633 -4.388 1.00 52.41 N ATOM 489 NH2 ARG A 28 13.148 -2.558 -2.095 1.00 11.33 N ATOM 0 H ARG A 28 10.024 -8.145 -5.752 1.00 22.14 H new ATOM 0 HA ARG A 28 11.519 -7.661 -3.241 1.00 62.41 H new ATOM 0 HB2 ARG A 28 9.491 -5.796 -4.517 1.00 32.24 H new ATOM 0 HB3 ARG A 28 10.514 -5.471 -3.132 1.00 32.24 H new ATOM 0 HG2 ARG A 28 11.558 -5.957 -5.946 1.00 73.15 H new ATOM 0 HG3 ARG A 28 11.268 -4.370 -5.261 1.00 73.15 H new ATOM 0 HD2 ARG A 28 13.165 -6.449 -4.098 1.00 72.52 H new ATOM 0 HD3 ARG A 28 13.656 -5.090 -5.089 1.00 72.52 H new ATOM 0 HE ARG A 28 12.924 -5.030 -2.264 1.00 5.34 H new ATOM 0 HH11 ARG A 28 13.123 -3.167 -5.256 1.00 52.41 H new ATOM 0 HH12 ARG A 28 13.257 -1.618 -4.418 1.00 52.41 H new ATOM 0 HH21 ARG A 28 13.095 -3.035 -1.195 1.00 11.33 H new ATOM 0 HH22 ARG A 28 13.241 -1.543 -2.129 1.00 11.33 H new ATOM 503 N LEU A 29 9.467 -9.313 -2.767 1.00 3.34 N ATOM 504 CA LEU A 29 8.366 -9.954 -2.057 1.00 22.44 C ATOM 505 C LEU A 29 8.350 -9.540 -0.589 1.00 31.33 C ATOM 506 O LEU A 29 7.377 -9.784 0.124 1.00 74.25 O ATOM 507 CB LEU A 29 8.479 -11.476 -2.168 1.00 4.20 C ATOM 508 CG LEU A 29 7.214 -12.269 -1.840 1.00 11.11 C ATOM 509 CD1 LEU A 29 6.115 -11.960 -2.845 1.00 30.13 C ATOM 510 CD2 LEU A 29 7.511 -13.761 -1.814 1.00 24.03 C ATOM 0 H LEU A 29 10.258 -9.927 -2.962 1.00 3.34 H new ATOM 0 HA LEU A 29 7.432 -9.630 -2.517 1.00 22.44 H new ATOM 0 HB2 LEU A 29 8.786 -11.724 -3.184 1.00 4.20 H new ATOM 0 HB3 LEU A 29 9.276 -11.810 -1.504 1.00 4.20 H new ATOM 0 HG LEU A 29 6.868 -11.971 -0.850 1.00 11.11 H new ATOM 0 HD11 LEU A 29 5.222 -12.533 -2.596 1.00 30.13 H new ATOM 0 HD12 LEU A 29 5.883 -10.895 -2.814 1.00 30.13 H new ATOM 0 HD13 LEU A 29 6.451 -12.229 -3.846 1.00 30.13 H new ATOM 0 HD21 LEU A 29 6.599 -14.310 -1.579 1.00 24.03 H new ATOM 0 HD22 LEU A 29 7.882 -14.075 -2.790 1.00 24.03 H new ATOM 0 HD23 LEU A 29 8.265 -13.969 -1.055 1.00 24.03 H new ATOM 522 N GLU A 30 9.433 -8.911 -0.144 1.00 64.14 N ATOM 523 CA GLU A 30 9.542 -8.462 1.239 1.00 70.04 C ATOM 524 C GLU A 30 8.412 -7.498 1.588 1.00 74.30 C ATOM 525 O GLU A 30 7.840 -7.564 2.676 1.00 2.45 O ATOM 526 CB GLU A 30 10.894 -7.786 1.474 1.00 23.10 C ATOM 527 CG GLU A 30 11.010 -6.415 0.830 1.00 14.30 C ATOM 528 CD GLU A 30 12.449 -5.975 0.648 1.00 43.20 C ATOM 529 OE1 GLU A 30 13.314 -6.444 1.417 1.00 1.14 O ATOM 530 OE2 GLU A 30 12.711 -5.162 -0.263 1.00 23.00 O ATOM 0 H GLU A 30 10.247 -8.701 -0.721 1.00 64.14 H new ATOM 0 HA GLU A 30 9.464 -9.336 1.885 1.00 70.04 H new ATOM 0 HB2 GLU A 30 11.061 -7.689 2.547 1.00 23.10 H new ATOM 0 HB3 GLU A 30 11.684 -8.428 1.085 1.00 23.10 H new ATOM 0 HG2 GLU A 30 10.513 -6.431 -0.140 1.00 14.30 H new ATOM 0 HG3 GLU A 30 10.486 -5.684 1.445 1.00 14.30 H new ATOM 537 N ARG A 31 8.095 -6.604 0.657 1.00 63.21 N ATOM 538 CA ARG A 31 7.035 -5.626 0.866 1.00 1.43 C ATOM 539 C ARG A 31 5.668 -6.303 0.893 1.00 11.44 C ATOM 540 O ARG A 31 4.672 -5.698 1.292 1.00 53.15 O ATOM 541 CB ARG A 31 7.068 -4.563 -0.234 1.00 2.03 C ATOM 542 CG ARG A 31 8.098 -3.471 0.005 1.00 2.02 C ATOM 543 CD ARG A 31 8.446 -2.742 -1.283 1.00 65.23 C ATOM 544 NE ARG A 31 9.269 -1.560 -1.038 1.00 74.35 N ATOM 545 CZ ARG A 31 9.929 -0.914 -1.993 1.00 21.02 C ATOM 546 NH1 ARG A 31 9.864 -1.333 -3.249 1.00 51.10 N ATOM 547 NH2 ARG A 31 10.656 0.154 -1.691 1.00 44.13 N ATOM 0 H ARG A 31 8.558 -6.537 -0.250 1.00 63.21 H new ATOM 0 HA ARG A 31 7.203 -5.146 1.830 1.00 1.43 H new ATOM 0 HB2 ARG A 31 7.278 -5.046 -1.188 1.00 2.03 H new ATOM 0 HB3 ARG A 31 6.081 -4.108 -0.317 1.00 2.03 H new ATOM 0 HG2 ARG A 31 7.712 -2.759 0.735 1.00 2.02 H new ATOM 0 HG3 ARG A 31 9.001 -3.908 0.432 1.00 2.02 H new ATOM 0 HD2 ARG A 31 8.976 -3.420 -1.952 1.00 65.23 H new ATOM 0 HD3 ARG A 31 7.528 -2.446 -1.791 1.00 65.23 H new ATOM 0 HE ARG A 31 9.341 -1.212 -0.082 1.00 74.35 H new ATOM 0 HH11 ARG A 31 9.306 -2.154 -3.485 1.00 51.10 H new ATOM 0 HH12 ARG A 31 10.372 -0.835 -3.980 1.00 51.10 H new ATOM 0 HH21 ARG A 31 10.708 0.479 -0.726 1.00 44.13 H new ATOM 0 HH22 ARG A 31 11.163 0.650 -2.424 1.00 44.13 H new ATOM 561 N HIS A 32 5.628 -7.561 0.467 1.00 53.14 N ATOM 562 CA HIS A 32 4.383 -8.320 0.442 1.00 73.40 C ATOM 563 C HIS A 32 4.209 -9.121 1.729 1.00 64.52 C ATOM 564 O HIS A 32 3.165 -9.734 1.956 1.00 52.44 O ATOM 565 CB HIS A 32 4.357 -9.259 -0.764 1.00 63.44 C ATOM 566 CG HIS A 32 3.868 -8.607 -2.021 1.00 24.21 C ATOM 567 ND1 HIS A 32 2.534 -8.375 -2.278 1.00 73.12 N ATOM 568 CD2 HIS A 32 4.545 -8.135 -3.094 1.00 75.44 C ATOM 569 CE1 HIS A 32 2.410 -7.790 -3.456 1.00 71.43 C ATOM 570 NE2 HIS A 32 3.616 -7.633 -3.972 1.00 74.12 N ATOM 0 H HIS A 32 6.443 -8.076 0.134 1.00 53.14 H new ATOM 0 HA HIS A 32 3.557 -7.613 0.360 1.00 73.40 H new ATOM 0 HB2 HIS A 32 5.361 -9.648 -0.933 1.00 63.44 H new ATOM 0 HB3 HIS A 32 3.719 -10.113 -0.536 1.00 63.44 H new ATOM 0 HD1 HIS A 32 1.763 -8.617 -1.656 1.00 73.12 H new ATOM 0 HD2 HIS A 32 5.616 -8.150 -3.234 1.00 75.44 H new ATOM 0 HE1 HIS A 32 1.481 -7.491 -3.918 1.00 71.43 H new ATOM 578 N LEU A 33 5.239 -9.114 2.568 1.00 43.12 N ATOM 579 CA LEU A 33 5.202 -9.840 3.832 1.00 35.52 C ATOM 580 C LEU A 33 5.187 -8.876 5.014 1.00 22.31 C ATOM 581 O LEU A 33 6.019 -7.973 5.102 1.00 63.54 O ATOM 582 CB LEU A 33 6.404 -10.779 3.940 1.00 64.32 C ATOM 583 CG LEU A 33 6.151 -12.117 4.635 1.00 24.41 C ATOM 584 CD1 LEU A 33 5.490 -13.099 3.680 1.00 43.22 C ATOM 585 CD2 LEU A 33 7.453 -12.692 5.176 1.00 14.44 C ATOM 0 H LEU A 33 6.111 -8.613 2.395 1.00 43.12 H new ATOM 0 HA LEU A 33 4.286 -10.430 3.856 1.00 35.52 H new ATOM 0 HB2 LEU A 33 6.775 -10.979 2.935 1.00 64.32 H new ATOM 0 HB3 LEU A 33 7.199 -10.259 4.475 1.00 64.32 H new ATOM 0 HG LEU A 33 5.476 -11.946 5.473 1.00 24.41 H new ATOM 0 HD11 LEU A 33 5.318 -14.045 4.193 1.00 43.22 H new ATOM 0 HD12 LEU A 33 4.538 -12.692 3.341 1.00 43.22 H new ATOM 0 HD13 LEU A 33 6.140 -13.265 2.821 1.00 43.22 H new ATOM 0 HD21 LEU A 33 7.254 -13.644 5.667 1.00 14.44 H new ATOM 0 HD22 LEU A 33 8.152 -12.847 4.354 1.00 14.44 H new ATOM 0 HD23 LEU A 33 7.887 -11.997 5.895 1.00 14.44 H new ATOM 597 N SER A 34 4.237 -9.076 5.922 1.00 5.34 N ATOM 598 CA SER A 34 4.114 -8.223 7.099 1.00 52.02 C ATOM 599 C SER A 34 5.456 -8.080 7.810 1.00 61.13 C ATOM 600 O SER A 34 6.386 -8.859 7.598 1.00 51.45 O ATOM 601 CB SER A 34 3.072 -8.795 8.062 1.00 11.01 C ATOM 602 OG SER A 34 3.691 -9.517 9.113 1.00 51.22 O ATOM 0 H SER A 34 3.542 -9.820 5.866 1.00 5.34 H new ATOM 0 HA SER A 34 3.791 -7.236 6.769 1.00 52.02 H new ATOM 0 HB2 SER A 34 2.472 -7.985 8.477 1.00 11.01 H new ATOM 0 HB3 SER A 34 2.391 -9.450 7.519 1.00 11.01 H new ATOM 0 HG SER A 34 3.004 -9.871 9.716 1.00 51.22 H new ATOM 608 N PRO A 35 5.561 -7.061 8.675 1.00 52.51 N ATOM 609 CA PRO A 35 6.784 -6.791 9.436 1.00 44.51 C ATOM 610 C PRO A 35 7.051 -7.849 10.500 1.00 34.52 C ATOM 611 O PRO A 35 8.182 -8.302 10.668 1.00 64.20 O ATOM 612 CB PRO A 35 6.504 -5.435 10.089 1.00 41.32 C ATOM 613 CG PRO A 35 5.019 -5.357 10.179 1.00 60.25 C ATOM 614 CD PRO A 35 4.493 -6.093 8.977 1.00 33.14 C ATOM 0 HA PRO A 35 7.669 -6.799 8.800 1.00 44.51 H new ATOM 0 HB2 PRO A 35 6.964 -5.368 11.075 1.00 41.32 H new ATOM 0 HB3 PRO A 35 6.908 -4.617 9.492 1.00 41.32 H new ATOM 0 HG2 PRO A 35 4.659 -5.811 11.103 1.00 60.25 H new ATOM 0 HG3 PRO A 35 4.682 -4.320 10.181 1.00 60.25 H new ATOM 0 HD2 PRO A 35 3.548 -6.592 9.193 1.00 33.14 H new ATOM 0 HD3 PRO A 35 4.313 -5.419 8.140 1.00 33.14 H new ATOM 622 N GLU A 36 6.001 -8.240 11.216 1.00 54.20 N ATOM 623 CA GLU A 36 6.123 -9.246 12.264 1.00 10.25 C ATOM 624 C GLU A 36 6.515 -10.599 11.677 1.00 3.43 C ATOM 625 O GLU A 36 7.255 -11.364 12.296 1.00 54.43 O ATOM 626 CB GLU A 36 4.807 -9.374 13.035 1.00 63.10 C ATOM 627 CG GLU A 36 4.646 -8.344 14.140 1.00 23.25 C ATOM 628 CD GLU A 36 3.453 -8.627 15.032 1.00 22.44 C ATOM 629 OE1 GLU A 36 2.314 -8.617 14.520 1.00 43.41 O ATOM 630 OE2 GLU A 36 3.658 -8.859 16.242 1.00 31.41 O ATOM 0 H GLU A 36 5.057 -7.875 11.089 1.00 54.20 H new ATOM 0 HA GLU A 36 6.908 -8.926 12.949 1.00 10.25 H new ATOM 0 HB2 GLU A 36 3.976 -9.278 12.337 1.00 63.10 H new ATOM 0 HB3 GLU A 36 4.745 -10.372 13.469 1.00 63.10 H new ATOM 0 HG2 GLU A 36 5.551 -8.323 14.746 1.00 23.25 H new ATOM 0 HG3 GLU A 36 4.536 -7.355 13.696 1.00 23.25 H new ATOM 637 N GLU A 37 6.014 -10.885 10.480 1.00 33.51 N ATOM 638 CA GLU A 37 6.311 -12.146 9.810 1.00 34.24 C ATOM 639 C GLU A 37 7.743 -12.159 9.284 1.00 0.34 C ATOM 640 O GLU A 37 8.438 -13.172 9.368 1.00 41.51 O ATOM 641 CB GLU A 37 5.331 -12.381 8.659 1.00 52.32 C ATOM 642 CG GLU A 37 4.285 -13.442 8.956 1.00 61.31 C ATOM 643 CD GLU A 37 4.898 -14.755 9.405 1.00 54.14 C ATOM 644 OE1 GLU A 37 5.549 -15.421 8.573 1.00 31.35 O ATOM 645 OE2 GLU A 37 4.725 -15.115 10.588 1.00 63.30 O ATOM 0 H GLU A 37 5.401 -10.262 9.954 1.00 33.51 H new ATOM 0 HA GLU A 37 6.203 -12.949 10.539 1.00 34.24 H new ATOM 0 HB2 GLU A 37 4.828 -11.443 8.424 1.00 52.32 H new ATOM 0 HB3 GLU A 37 5.891 -12.674 7.771 1.00 52.32 H new ATOM 0 HG2 GLU A 37 3.611 -13.076 9.731 1.00 61.31 H new ATOM 0 HG3 GLU A 37 3.682 -13.613 8.064 1.00 61.31 H new ATOM 652 N PHE A 38 8.178 -11.026 8.742 1.00 73.22 N ATOM 653 CA PHE A 38 9.526 -10.906 8.200 1.00 24.13 C ATOM 654 C PHE A 38 10.571 -11.111 9.293 1.00 4.02 C ATOM 655 O PHE A 38 11.567 -11.805 9.091 1.00 45.33 O ATOM 656 CB PHE A 38 9.717 -9.535 7.548 1.00 74.44 C ATOM 657 CG PHE A 38 10.501 -9.585 6.267 1.00 12.35 C ATOM 658 CD1 PHE A 38 9.969 -10.183 5.137 1.00 64.44 C ATOM 659 CD2 PHE A 38 11.770 -9.033 6.195 1.00 13.23 C ATOM 660 CE1 PHE A 38 10.688 -10.230 3.957 1.00 63.21 C ATOM 661 CE2 PHE A 38 12.493 -9.076 5.018 1.00 30.24 C ATOM 662 CZ PHE A 38 11.952 -9.677 3.898 1.00 2.42 C ATOM 0 H PHE A 38 7.616 -10.178 8.667 1.00 73.22 H new ATOM 0 HA PHE A 38 9.657 -11.681 7.445 1.00 24.13 H new ATOM 0 HB2 PHE A 38 8.739 -9.096 7.349 1.00 74.44 H new ATOM 0 HB3 PHE A 38 10.226 -8.875 8.251 1.00 74.44 H new ATOM 0 HD1 PHE A 38 8.981 -10.618 5.178 1.00 64.44 H new ATOM 0 HD2 PHE A 38 12.199 -8.564 7.068 1.00 13.23 H new ATOM 0 HE1 PHE A 38 10.262 -10.699 3.082 1.00 63.21 H new ATOM 0 HE2 PHE A 38 13.480 -8.640 4.974 1.00 30.24 H new ATOM 0 HZ PHE A 38 12.516 -9.714 2.978 1.00 2.42 H new ATOM 672 N GLN A 39 10.336 -10.501 10.451 1.00 72.54 N ATOM 673 CA GLN A 39 11.257 -10.616 11.575 1.00 41.30 C ATOM 674 C GLN A 39 11.099 -11.962 12.274 1.00 73.02 C ATOM 675 O GLN A 39 12.017 -12.437 12.941 1.00 0.33 O ATOM 676 CB GLN A 39 11.022 -9.479 12.572 1.00 60.53 C ATOM 677 CG GLN A 39 9.645 -9.510 13.216 1.00 64.41 C ATOM 678 CD GLN A 39 9.574 -10.461 14.394 1.00 32.43 C ATOM 679 OE1 GLN A 39 10.596 -10.827 14.975 1.00 2.42 O ATOM 680 NE2 GLN A 39 8.362 -10.868 14.754 1.00 20.04 N ATOM 0 H GLN A 39 9.516 -9.923 10.635 1.00 72.54 H new ATOM 0 HA GLN A 39 12.273 -10.546 11.188 1.00 41.30 H new ATOM 0 HB2 GLN A 39 11.781 -9.529 13.353 1.00 60.53 H new ATOM 0 HB3 GLN A 39 11.154 -8.525 12.061 1.00 60.53 H new ATOM 0 HG2 GLN A 39 9.380 -8.506 13.548 1.00 64.41 H new ATOM 0 HG3 GLN A 39 8.906 -9.805 12.471 1.00 64.41 H new ATOM 0 HE21 GLN A 39 7.542 -10.540 14.245 1.00 20.04 H new ATOM 0 HE22 GLN A 39 8.252 -11.509 15.540 1.00 20.04 H new ATOM 689 N GLU A 40 9.928 -12.571 12.116 1.00 72.34 N ATOM 690 CA GLU A 40 9.650 -13.863 12.733 1.00 11.32 C ATOM 691 C GLU A 40 10.182 -15.004 11.871 1.00 53.11 C ATOM 692 O GLU A 40 10.596 -16.044 12.384 1.00 54.33 O ATOM 693 CB GLU A 40 8.146 -14.034 12.954 1.00 35.11 C ATOM 694 CG GLU A 40 7.773 -15.352 13.613 1.00 43.22 C ATOM 695 CD GLU A 40 8.149 -15.397 15.081 1.00 4.21 C ATOM 696 OE1 GLU A 40 7.518 -14.670 15.877 1.00 64.00 O ATOM 697 OE2 GLU A 40 9.074 -16.158 15.434 1.00 2.12 O ATOM 0 H GLU A 40 9.157 -12.191 11.567 1.00 72.34 H new ATOM 0 HA GLU A 40 10.157 -13.893 13.697 1.00 11.32 H new ATOM 0 HB2 GLU A 40 7.783 -13.213 13.572 1.00 35.11 H new ATOM 0 HB3 GLU A 40 7.636 -13.960 11.994 1.00 35.11 H new ATOM 0 HG2 GLU A 40 6.700 -15.514 13.512 1.00 43.22 H new ATOM 0 HG3 GLU A 40 8.269 -16.169 13.089 1.00 43.22 H new ATOM 704 N VAL A 41 10.166 -14.802 10.557 1.00 5.21 N ATOM 705 CA VAL A 41 10.647 -15.812 9.623 1.00 62.45 C ATOM 706 C VAL A 41 12.154 -15.702 9.421 1.00 43.22 C ATOM 707 O VAL A 41 12.813 -16.669 9.037 1.00 53.43 O ATOM 708 CB VAL A 41 9.947 -15.691 8.256 1.00 61.31 C ATOM 709 CG1 VAL A 41 8.444 -15.866 8.409 1.00 52.05 C ATOM 710 CG2 VAL A 41 10.274 -14.355 7.607 1.00 13.31 C ATOM 0 H VAL A 41 9.825 -13.948 10.116 1.00 5.21 H new ATOM 0 HA VAL A 41 10.412 -16.783 10.059 1.00 62.45 H new ATOM 0 HB VAL A 41 10.316 -16.484 7.606 1.00 61.31 H new ATOM 0 HG11 VAL A 41 7.966 -15.777 7.433 1.00 52.05 H new ATOM 0 HG12 VAL A 41 8.233 -16.850 8.828 1.00 52.05 H new ATOM 0 HG13 VAL A 41 8.054 -15.096 9.075 1.00 52.05 H new ATOM 0 HG21 VAL A 41 9.771 -14.286 6.642 1.00 13.31 H new ATOM 0 HG22 VAL A 41 9.934 -13.544 8.252 1.00 13.31 H new ATOM 0 HG23 VAL A 41 11.351 -14.275 7.461 1.00 13.31 H new ATOM 720 N PHE A 42 12.695 -14.517 9.683 1.00 43.42 N ATOM 721 CA PHE A 42 14.126 -14.279 9.530 1.00 51.33 C ATOM 722 C PHE A 42 14.871 -14.591 10.824 1.00 31.51 C ATOM 723 O PHE A 42 15.905 -15.258 10.813 1.00 41.54 O ATOM 724 CB PHE A 42 14.382 -12.827 9.119 1.00 71.24 C ATOM 725 CG PHE A 42 14.232 -12.587 7.644 1.00 54.53 C ATOM 726 CD1 PHE A 42 13.295 -13.291 6.905 1.00 34.23 C ATOM 727 CD2 PHE A 42 15.027 -11.655 6.996 1.00 70.33 C ATOM 728 CE1 PHE A 42 13.155 -13.072 5.548 1.00 60.11 C ATOM 729 CE2 PHE A 42 14.892 -11.432 5.638 1.00 14.55 C ATOM 730 CZ PHE A 42 13.954 -12.140 4.914 1.00 75.31 C ATOM 0 H PHE A 42 12.164 -13.706 10.002 1.00 43.42 H new ATOM 0 HA PHE A 42 14.497 -14.942 8.749 1.00 51.33 H new ATOM 0 HB2 PHE A 42 13.691 -12.178 9.657 1.00 71.24 H new ATOM 0 HB3 PHE A 42 15.389 -12.543 9.425 1.00 71.24 H new ATOM 0 HD1 PHE A 42 12.667 -14.020 7.396 1.00 34.23 H new ATOM 0 HD2 PHE A 42 15.761 -11.096 7.558 1.00 70.33 H new ATOM 0 HE1 PHE A 42 12.422 -13.629 4.983 1.00 60.11 H new ATOM 0 HE2 PHE A 42 15.520 -10.705 5.144 1.00 14.55 H new ATOM 0 HZ PHE A 42 13.845 -11.966 3.854 1.00 75.31 H new ATOM 740 N GLY A 43 14.337 -14.104 11.940 1.00 34.41 N ATOM 741 CA GLY A 43 14.963 -14.341 13.227 1.00 25.14 C ATOM 742 C GLY A 43 15.309 -13.054 13.950 1.00 51.05 C ATOM 743 O GLY A 43 15.133 -12.949 15.163 1.00 40.01 O ATOM 0 H GLY A 43 13.482 -13.549 11.975 1.00 34.41 H new ATOM 0 HA2 GLY A 43 14.293 -14.935 13.849 1.00 25.14 H new ATOM 0 HA3 GLY A 43 15.870 -14.929 13.084 1.00 25.14 H new ATOM 747 N MET A 44 15.804 -12.073 13.202 1.00 14.53 N ATOM 748 CA MET A 44 16.175 -10.786 13.780 1.00 42.13 C ATOM 749 C MET A 44 14.948 -9.898 13.965 1.00 64.52 C ATOM 750 O MET A 44 13.815 -10.347 13.794 1.00 12.02 O ATOM 751 CB MET A 44 17.200 -10.080 12.890 1.00 71.25 C ATOM 752 CG MET A 44 16.812 -10.052 11.420 1.00 34.31 C ATOM 753 SD MET A 44 17.661 -11.315 10.453 1.00 32.21 S ATOM 754 CE MET A 44 18.489 -10.304 9.229 1.00 42.13 C ATOM 0 H MET A 44 15.957 -12.144 12.196 1.00 14.53 H new ATOM 0 HA MET A 44 16.619 -10.970 14.758 1.00 42.13 H new ATOM 0 HB2 MET A 44 17.331 -9.057 13.242 1.00 71.25 H new ATOM 0 HB3 MET A 44 18.164 -10.579 12.994 1.00 71.25 H new ATOM 0 HG2 MET A 44 15.735 -10.194 11.330 1.00 34.31 H new ATOM 0 HG3 MET A 44 17.040 -9.069 11.007 1.00 34.31 H new ATOM 0 HE1 MET A 44 19.490 -10.696 9.051 1.00 42.13 H new ATOM 0 HE2 MET A 44 17.921 -10.321 8.299 1.00 42.13 H new ATOM 0 HE3 MET A 44 18.560 -9.279 9.592 1.00 42.13 H new ATOM 764 N SER A 45 15.183 -8.638 14.315 1.00 12.10 N ATOM 765 CA SER A 45 14.096 -7.689 14.527 1.00 2.23 C ATOM 766 C SER A 45 13.793 -6.915 13.248 1.00 74.43 C ATOM 767 O SER A 45 14.680 -6.679 12.427 1.00 0.35 O ATOM 768 CB SER A 45 14.453 -6.716 15.652 1.00 4.44 C ATOM 769 OG SER A 45 14.710 -5.419 15.142 1.00 11.54 O ATOM 0 H SER A 45 16.116 -8.250 14.458 1.00 12.10 H new ATOM 0 HA SER A 45 13.206 -8.251 14.810 1.00 2.23 H new ATOM 0 HB2 SER A 45 13.636 -6.672 16.372 1.00 4.44 H new ATOM 0 HB3 SER A 45 15.330 -7.080 16.187 1.00 4.44 H new ATOM 0 HG SER A 45 14.934 -4.815 15.881 1.00 11.54 H new ATOM 775 N ILE A 46 12.533 -6.525 13.085 1.00 42.22 N ATOM 776 CA ILE A 46 12.112 -5.777 11.906 1.00 20.44 C ATOM 777 C ILE A 46 12.961 -4.525 11.718 1.00 53.43 C ATOM 778 O ILE A 46 13.187 -4.081 10.593 1.00 40.43 O ATOM 779 CB ILE A 46 10.629 -5.371 11.998 1.00 45.51 C ATOM 780 CG1 ILE A 46 10.065 -5.100 10.602 1.00 42.13 C ATOM 781 CG2 ILE A 46 10.470 -4.146 12.886 1.00 3.41 C ATOM 782 CD1 ILE A 46 10.218 -3.662 10.156 1.00 24.52 C ATOM 0 H ILE A 46 11.786 -6.714 13.754 1.00 42.22 H new ATOM 0 HA ILE A 46 12.247 -6.436 11.048 1.00 20.44 H new ATOM 0 HB ILE A 46 10.069 -6.194 12.443 1.00 45.51 H new ATOM 0 HG12 ILE A 46 10.566 -5.750 9.884 1.00 42.13 H new ATOM 0 HG13 ILE A 46 9.008 -5.365 10.588 1.00 42.13 H new ATOM 0 HG21 ILE A 46 9.417 -3.871 12.941 1.00 3.41 H new ATOM 0 HG22 ILE A 46 10.839 -4.371 13.886 1.00 3.41 H new ATOM 0 HG23 ILE A 46 11.040 -3.317 12.467 1.00 3.41 H new ATOM 0 HD11 ILE A 46 9.796 -3.544 9.158 1.00 24.52 H new ATOM 0 HD12 ILE A 46 9.693 -3.007 10.852 1.00 24.52 H new ATOM 0 HD13 ILE A 46 11.275 -3.398 10.137 1.00 24.52 H new ATOM 794 N GLU A 47 13.429 -3.961 12.827 1.00 52.21 N ATOM 795 CA GLU A 47 14.254 -2.759 12.783 1.00 72.33 C ATOM 796 C GLU A 47 15.572 -3.031 12.063 1.00 0.34 C ATOM 797 O GLU A 47 16.067 -2.188 11.316 1.00 24.01 O ATOM 798 CB GLU A 47 14.529 -2.250 14.199 1.00 35.12 C ATOM 799 CG GLU A 47 13.295 -2.224 15.086 1.00 3.24 C ATOM 800 CD GLU A 47 13.509 -1.428 16.359 1.00 2.13 C ATOM 801 OE1 GLU A 47 14.250 -0.424 16.314 1.00 14.54 O ATOM 802 OE2 GLU A 47 12.935 -1.810 17.401 1.00 63.14 O ATOM 0 H GLU A 47 13.251 -4.317 13.766 1.00 52.21 H new ATOM 0 HA GLU A 47 13.708 -1.994 12.230 1.00 72.33 H new ATOM 0 HB2 GLU A 47 15.286 -2.882 14.663 1.00 35.12 H new ATOM 0 HB3 GLU A 47 14.945 -1.244 14.140 1.00 35.12 H new ATOM 0 HG2 GLU A 47 12.461 -1.796 14.530 1.00 3.24 H new ATOM 0 HG3 GLU A 47 13.015 -3.246 15.343 1.00 3.24 H new ATOM 809 N GLU A 48 16.134 -4.213 12.296 1.00 0.21 N ATOM 810 CA GLU A 48 17.395 -4.594 11.672 1.00 62.44 C ATOM 811 C GLU A 48 17.296 -4.514 10.151 1.00 13.20 C ATOM 812 O GLU A 48 18.210 -4.032 9.483 1.00 44.35 O ATOM 813 CB GLU A 48 17.791 -6.011 12.093 1.00 34.14 C ATOM 814 CG GLU A 48 19.265 -6.318 11.889 1.00 54.01 C ATOM 815 CD GLU A 48 19.616 -7.751 12.238 1.00 21.20 C ATOM 816 OE1 GLU A 48 19.447 -8.133 13.415 1.00 10.11 O ATOM 817 OE2 GLU A 48 20.060 -8.491 11.335 1.00 1.42 O ATOM 0 H GLU A 48 15.736 -4.922 12.912 1.00 0.21 H new ATOM 0 HA GLU A 48 18.161 -3.895 12.007 1.00 62.44 H new ATOM 0 HB2 GLU A 48 17.542 -6.151 13.145 1.00 34.14 H new ATOM 0 HB3 GLU A 48 17.197 -6.728 11.526 1.00 34.14 H new ATOM 0 HG2 GLU A 48 19.532 -6.125 10.850 1.00 54.01 H new ATOM 0 HG3 GLU A 48 19.861 -5.642 12.502 1.00 54.01 H new ATOM 824 N PHE A 49 16.179 -4.990 9.611 1.00 13.20 N ATOM 825 CA PHE A 49 15.959 -4.974 8.169 1.00 1.45 C ATOM 826 C PHE A 49 16.051 -3.553 7.621 1.00 4.43 C ATOM 827 O PHE A 49 16.832 -3.277 6.710 1.00 3.44 O ATOM 828 CB PHE A 49 14.592 -5.574 7.834 1.00 65.24 C ATOM 829 CG PHE A 49 14.368 -6.929 8.441 1.00 73.42 C ATOM 830 CD1 PHE A 49 15.383 -7.872 8.459 1.00 60.11 C ATOM 831 CD2 PHE A 49 13.141 -7.261 8.994 1.00 3.51 C ATOM 832 CE1 PHE A 49 15.178 -9.120 9.016 1.00 24.13 C ATOM 833 CE2 PHE A 49 12.931 -8.507 9.553 1.00 11.14 C ATOM 834 CZ PHE A 49 13.951 -9.437 9.565 1.00 23.54 C ATOM 0 H PHE A 49 15.412 -5.392 10.150 1.00 13.20 H new ATOM 0 HA PHE A 49 16.737 -5.577 7.701 1.00 1.45 H new ATOM 0 HB2 PHE A 49 13.812 -4.896 8.180 1.00 65.24 H new ATOM 0 HB3 PHE A 49 14.492 -5.649 6.751 1.00 65.24 H new ATOM 0 HD1 PHE A 49 16.345 -7.629 8.033 1.00 60.11 H new ATOM 0 HD2 PHE A 49 12.340 -6.537 8.988 1.00 3.51 H new ATOM 0 HE1 PHE A 49 15.977 -9.847 9.022 1.00 24.13 H new ATOM 0 HE2 PHE A 49 11.970 -8.753 9.980 1.00 11.14 H new ATOM 0 HZ PHE A 49 13.790 -10.411 10.003 1.00 23.54 H new ATOM 844 N ASP A 50 15.248 -2.655 8.182 1.00 22.42 N ATOM 845 CA ASP A 50 15.239 -1.262 7.751 1.00 75.31 C ATOM 846 C ASP A 50 16.634 -0.653 7.849 1.00 72.52 C ATOM 847 O ASP A 50 17.027 0.159 7.012 1.00 64.13 O ATOM 848 CB ASP A 50 14.254 -0.452 8.595 1.00 3.45 C ATOM 849 CG ASP A 50 13.857 0.851 7.930 1.00 11.40 C ATOM 850 OD1 ASP A 50 13.762 0.877 6.685 1.00 21.53 O ATOM 851 OD2 ASP A 50 13.642 1.846 8.654 1.00 54.21 O ATOM 0 H ASP A 50 14.595 -2.867 8.936 1.00 22.42 H new ATOM 0 HA ASP A 50 14.923 -1.232 6.708 1.00 75.31 H new ATOM 0 HB2 ASP A 50 13.361 -1.049 8.779 1.00 3.45 H new ATOM 0 HB3 ASP A 50 14.701 -0.239 9.566 1.00 3.45 H new ATOM 856 N ARG A 51 17.377 -1.051 8.877 1.00 55.13 N ATOM 857 CA ARG A 51 18.727 -0.543 9.085 1.00 10.43 C ATOM 858 C ARG A 51 19.705 -1.180 8.103 1.00 44.30 C ATOM 859 O ARG A 51 20.739 -0.597 7.774 1.00 43.24 O ATOM 860 CB ARG A 51 19.180 -0.813 10.521 1.00 4.11 C ATOM 861 CG ARG A 51 18.888 0.331 11.478 1.00 55.10 C ATOM 862 CD ARG A 51 17.511 0.191 12.109 1.00 21.01 C ATOM 863 NE ARG A 51 17.268 1.213 13.124 1.00 75.14 N ATOM 864 CZ ARG A 51 16.055 1.568 13.533 1.00 74.40 C ATOM 865 NH1 ARG A 51 14.981 0.986 13.017 1.00 33.54 N ATOM 866 NH2 ARG A 51 15.914 2.506 14.460 1.00 2.05 N ATOM 0 H ARG A 51 17.066 -1.723 9.578 1.00 55.13 H new ATOM 0 HA ARG A 51 18.714 0.533 8.911 1.00 10.43 H new ATOM 0 HB2 ARG A 51 18.687 -1.714 10.885 1.00 4.11 H new ATOM 0 HB3 ARG A 51 20.252 -1.013 10.523 1.00 4.11 H new ATOM 0 HG2 ARG A 51 19.647 0.356 12.260 1.00 55.10 H new ATOM 0 HG3 ARG A 51 18.950 1.279 10.944 1.00 55.10 H new ATOM 0 HD2 ARG A 51 16.748 0.261 11.334 1.00 21.01 H new ATOM 0 HD3 ARG A 51 17.417 -0.797 12.560 1.00 21.01 H new ATOM 0 HE ARG A 51 18.073 1.679 13.541 1.00 75.14 H new ATOM 0 HH11 ARG A 51 15.085 0.264 12.304 1.00 33.54 H new ATOM 0 HH12 ARG A 51 14.051 1.260 13.333 1.00 33.54 H new ATOM 0 HH21 ARG A 51 16.738 2.956 14.860 1.00 2.05 H new ATOM 0 HH22 ARG A 51 14.982 2.778 14.773 1.00 2.05 H new ATOM 880 N LEU A 52 19.373 -2.379 7.639 1.00 72.21 N ATOM 881 CA LEU A 52 20.222 -3.097 6.694 1.00 1.53 C ATOM 882 C LEU A 52 20.031 -2.565 5.277 1.00 14.15 C ATOM 883 O LEU A 52 19.162 -1.729 5.030 1.00 44.32 O ATOM 884 CB LEU A 52 19.913 -4.594 6.735 1.00 33.15 C ATOM 885 CG LEU A 52 20.494 -5.367 7.920 1.00 62.23 C ATOM 886 CD1 LEU A 52 19.878 -6.755 8.005 1.00 24.11 C ATOM 887 CD2 LEU A 52 22.009 -5.460 7.804 1.00 13.22 C ATOM 0 H LEU A 52 18.521 -2.875 7.902 1.00 72.21 H new ATOM 0 HA LEU A 52 21.261 -2.939 6.985 1.00 1.53 H new ATOM 0 HB2 LEU A 52 18.830 -4.721 6.740 1.00 33.15 H new ATOM 0 HB3 LEU A 52 20.283 -5.046 5.815 1.00 33.15 H new ATOM 0 HG LEU A 52 20.252 -4.828 8.836 1.00 62.23 H new ATOM 0 HD11 LEU A 52 20.303 -7.290 8.854 1.00 24.11 H new ATOM 0 HD12 LEU A 52 18.799 -6.667 8.135 1.00 24.11 H new ATOM 0 HD13 LEU A 52 20.089 -7.304 7.087 1.00 24.11 H new ATOM 0 HD21 LEU A 52 22.406 -6.013 8.655 1.00 13.22 H new ATOM 0 HD22 LEU A 52 22.272 -5.977 6.881 1.00 13.22 H new ATOM 0 HD23 LEU A 52 22.435 -4.457 7.792 1.00 13.22 H new ATOM 899 N ALA A 53 20.846 -3.058 4.351 1.00 40.31 N ATOM 900 CA ALA A 53 20.764 -2.636 2.958 1.00 15.52 C ATOM 901 C ALA A 53 19.941 -3.620 2.134 1.00 62.22 C ATOM 902 O ALA A 53 19.565 -4.689 2.618 1.00 52.51 O ATOM 903 CB ALA A 53 22.158 -2.486 2.368 1.00 22.35 C ATOM 0 H ALA A 53 21.571 -3.750 4.540 1.00 40.31 H new ATOM 0 HA ALA A 53 20.263 -1.668 2.927 1.00 15.52 H new ATOM 0 HB1 ALA A 53 22.081 -2.171 1.328 1.00 22.35 H new ATOM 0 HB2 ALA A 53 22.714 -1.738 2.934 1.00 22.35 H new ATOM 0 HB3 ALA A 53 22.680 -3.442 2.420 1.00 22.35 H new ATOM 909 N LEU A 54 19.665 -3.254 0.887 1.00 33.41 N ATOM 910 CA LEU A 54 18.886 -4.106 -0.005 1.00 54.22 C ATOM 911 C LEU A 54 19.563 -5.459 -0.195 1.00 35.52 C ATOM 912 O LEU A 54 18.964 -6.505 0.060 1.00 41.32 O ATOM 913 CB LEU A 54 18.699 -3.422 -1.361 1.00 13.14 C ATOM 914 CG LEU A 54 17.372 -3.691 -2.071 1.00 15.22 C ATOM 915 CD1 LEU A 54 17.552 -3.630 -3.580 1.00 33.23 C ATOM 916 CD2 LEU A 54 16.807 -5.041 -1.653 1.00 10.30 C ATOM 0 H LEU A 54 19.969 -2.374 0.471 1.00 33.41 H new ATOM 0 HA LEU A 54 17.909 -4.270 0.451 1.00 54.22 H new ATOM 0 HB2 LEU A 54 18.801 -2.346 -1.220 1.00 13.14 H new ATOM 0 HB3 LEU A 54 19.510 -3.735 -2.018 1.00 13.14 H new ATOM 0 HG LEU A 54 16.662 -2.917 -1.779 1.00 15.22 H new ATOM 0 HD11 LEU A 54 16.597 -3.824 -4.068 1.00 33.23 H new ATOM 0 HD12 LEU A 54 17.911 -2.641 -3.864 1.00 33.23 H new ATOM 0 HD13 LEU A 54 18.278 -4.382 -3.891 1.00 33.23 H new ATOM 0 HD21 LEU A 54 15.862 -5.215 -2.168 1.00 10.30 H new ATOM 0 HD22 LEU A 54 17.514 -5.828 -1.915 1.00 10.30 H new ATOM 0 HD23 LEU A 54 16.639 -5.048 -0.576 1.00 10.30 H new ATOM 928 N TRP A 55 20.813 -5.432 -0.641 1.00 60.10 N ATOM 929 CA TRP A 55 21.572 -6.658 -0.862 1.00 43.45 C ATOM 930 C TRP A 55 21.381 -7.633 0.294 1.00 42.22 C ATOM 931 O TRP A 55 21.251 -8.839 0.087 1.00 62.53 O ATOM 932 CB TRP A 55 23.058 -6.337 -1.035 1.00 71.25 C ATOM 933 CG TRP A 55 23.721 -5.892 0.233 1.00 62.42 C ATOM 934 CD1 TRP A 55 23.848 -4.610 0.686 1.00 74.25 C ATOM 935 CD2 TRP A 55 24.350 -6.729 1.210 1.00 44.23 C ATOM 936 NE1 TRP A 55 24.518 -4.599 1.885 1.00 35.12 N ATOM 937 CE2 TRP A 55 24.836 -5.886 2.229 1.00 61.22 C ATOM 938 CE3 TRP A 55 24.549 -8.107 1.324 1.00 61.30 C ATOM 939 CZ2 TRP A 55 25.508 -6.379 3.344 1.00 13.25 C ATOM 940 CZ3 TRP A 55 25.216 -8.595 2.432 1.00 42.43 C ATOM 941 CH2 TRP A 55 25.688 -7.733 3.430 1.00 3.44 C ATOM 0 H TRP A 55 21.323 -4.575 -0.857 1.00 60.10 H new ATOM 0 HA TRP A 55 21.200 -7.127 -1.773 1.00 43.45 H new ATOM 0 HB2 TRP A 55 23.571 -7.221 -1.414 1.00 71.25 H new ATOM 0 HB3 TRP A 55 23.169 -5.556 -1.788 1.00 71.25 H new ATOM 0 HD1 TRP A 55 23.476 -3.733 0.176 1.00 74.25 H new ATOM 0 HE1 TRP A 55 24.742 -3.767 2.431 1.00 35.12 H new ATOM 0 HE3 TRP A 55 24.188 -8.779 0.560 1.00 61.30 H new ATOM 0 HZ2 TRP A 55 25.874 -5.716 4.114 1.00 13.25 H new ATOM 0 HZ3 TRP A 55 25.376 -9.659 2.530 1.00 42.43 H new ATOM 0 HH2 TRP A 55 26.204 -8.145 4.284 1.00 3.44 H new ATOM 952 N LYS A 56 21.365 -7.103 1.512 1.00 32.23 N ATOM 953 CA LYS A 56 21.188 -7.926 2.703 1.00 71.54 C ATOM 954 C LYS A 56 19.767 -8.476 2.778 1.00 11.31 C ATOM 955 O LYS A 56 19.564 -9.672 2.988 1.00 10.42 O ATOM 956 CB LYS A 56 21.499 -7.113 3.961 1.00 23.41 C ATOM 957 CG LYS A 56 21.652 -7.962 5.211 1.00 24.23 C ATOM 958 CD LYS A 56 23.042 -8.569 5.307 1.00 43.32 C ATOM 959 CE LYS A 56 23.269 -9.234 6.656 1.00 52.40 C ATOM 960 NZ LYS A 56 24.689 -9.134 7.092 1.00 43.01 N ATOM 0 H LYS A 56 21.473 -6.106 1.701 1.00 32.23 H new ATOM 0 HA LYS A 56 21.881 -8.765 2.640 1.00 71.54 H new ATOM 0 HB2 LYS A 56 22.417 -6.548 3.801 1.00 23.41 H new ATOM 0 HB3 LYS A 56 20.702 -6.387 4.120 1.00 23.41 H new ATOM 0 HG2 LYS A 56 21.459 -7.351 6.093 1.00 24.23 H new ATOM 0 HG3 LYS A 56 20.906 -8.757 5.205 1.00 24.23 H new ATOM 0 HD2 LYS A 56 23.175 -9.302 4.512 1.00 43.32 H new ATOM 0 HD3 LYS A 56 23.791 -7.792 5.153 1.00 43.32 H new ATOM 0 HE2 LYS A 56 22.626 -8.768 7.403 1.00 52.40 H new ATOM 0 HE3 LYS A 56 22.980 -10.283 6.597 1.00 52.40 H new ATOM 0 HZ1 LYS A 56 24.802 -9.599 8.015 1.00 43.01 H new ATOM 0 HZ2 LYS A 56 25.301 -9.600 6.392 1.00 43.01 H new ATOM 0 HZ3 LYS A 56 24.957 -8.133 7.174 1.00 43.01 H new ATOM 974 N ARG A 57 18.787 -7.595 2.604 1.00 11.11 N ATOM 975 CA ARG A 57 17.385 -7.992 2.652 1.00 21.33 C ATOM 976 C ARG A 57 17.098 -9.097 1.640 1.00 60.30 C ATOM 977 O ARG A 57 16.327 -10.016 1.912 1.00 72.43 O ATOM 978 CB ARG A 57 16.482 -6.788 2.379 1.00 71.22 C ATOM 979 CG ARG A 57 16.878 -5.542 3.153 1.00 15.34 C ATOM 980 CD ARG A 57 15.713 -4.997 3.966 1.00 72.54 C ATOM 981 NE ARG A 57 14.599 -4.585 3.116 1.00 12.42 N ATOM 982 CZ ARG A 57 14.548 -3.415 2.488 1.00 72.30 C ATOM 983 NH1 ARG A 57 15.543 -2.548 2.613 1.00 52.03 N ATOM 984 NH2 ARG A 57 13.500 -3.112 1.732 1.00 10.15 N ATOM 0 H ARG A 57 18.938 -6.602 2.429 1.00 11.11 H new ATOM 0 HA ARG A 57 17.176 -8.375 3.651 1.00 21.33 H new ATOM 0 HB2 ARG A 57 16.502 -6.564 1.312 1.00 71.22 H new ATOM 0 HB3 ARG A 57 15.455 -7.051 2.631 1.00 71.22 H new ATOM 0 HG2 ARG A 57 17.710 -5.774 3.818 1.00 15.34 H new ATOM 0 HG3 ARG A 57 17.228 -4.778 2.459 1.00 15.34 H new ATOM 0 HD2 ARG A 57 15.372 -5.759 4.667 1.00 72.54 H new ATOM 0 HD3 ARG A 57 16.051 -4.147 4.559 1.00 72.54 H new ATOM 0 HE ARG A 57 13.818 -5.230 2.998 1.00 12.42 H new ATOM 0 HH11 ARG A 57 16.350 -2.778 3.192 1.00 52.03 H new ATOM 0 HH12 ARG A 57 15.501 -1.651 2.130 1.00 52.03 H new ATOM 0 HH21 ARG A 57 12.733 -3.777 1.633 1.00 10.15 H new ATOM 0 HH22 ARG A 57 13.461 -2.214 1.250 1.00 10.15 H new ATOM 998 N ASN A 58 17.724 -9.000 0.472 1.00 41.44 N ATOM 999 CA ASN A 58 17.535 -9.990 -0.582 1.00 21.10 C ATOM 1000 C ASN A 58 18.115 -11.340 -0.170 1.00 40.20 C ATOM 1001 O ASN A 58 17.432 -12.363 -0.224 1.00 2.11 O ATOM 1002 CB ASN A 58 18.191 -9.516 -1.880 1.00 52.44 C ATOM 1003 CG ASN A 58 17.237 -8.724 -2.754 1.00 0.21 C ATOM 1004 OD1 ASN A 58 16.091 -9.122 -2.960 1.00 73.34 O ATOM 1005 ND2 ASN A 58 17.708 -7.595 -3.272 1.00 71.41 N ATOM 0 H ASN A 58 18.367 -8.246 0.231 1.00 41.44 H new ATOM 0 HA ASN A 58 16.464 -10.109 -0.747 1.00 21.10 H new ATOM 0 HB2 ASN A 58 19.058 -8.900 -1.642 1.00 52.44 H new ATOM 0 HB3 ASN A 58 18.557 -10.380 -2.436 1.00 52.44 H new ATOM 0 HD21 ASN A 58 17.112 -7.020 -3.867 1.00 71.41 H new ATOM 0 HD22 ASN A 58 18.665 -7.304 -3.074 1.00 71.41 H new ATOM 1012 N ASP A 59 19.378 -11.334 0.242 1.00 40.04 N ATOM 1013 CA ASP A 59 20.050 -12.557 0.665 1.00 60.14 C ATOM 1014 C ASP A 59 19.244 -13.275 1.743 1.00 70.04 C ATOM 1015 O ASP A 59 18.933 -14.460 1.615 1.00 63.13 O ATOM 1016 CB ASP A 59 21.453 -12.240 1.186 1.00 54.34 C ATOM 1017 CG ASP A 59 22.219 -13.486 1.582 1.00 72.41 C ATOM 1018 OD1 ASP A 59 22.474 -14.331 0.699 1.00 72.42 O ATOM 1019 OD2 ASP A 59 22.563 -13.618 2.775 1.00 12.55 O ATOM 0 H ASP A 59 19.957 -10.496 0.292 1.00 40.04 H new ATOM 0 HA ASP A 59 20.132 -13.215 -0.200 1.00 60.14 H new ATOM 0 HB2 ASP A 59 22.010 -11.704 0.418 1.00 54.34 H new ATOM 0 HB3 ASP A 59 21.376 -11.575 2.047 1.00 54.34 H new ATOM 1024 N LEU A 60 18.909 -12.551 2.805 1.00 41.45 N ATOM 1025 CA LEU A 60 18.140 -13.118 3.906 1.00 33.33 C ATOM 1026 C LEU A 60 16.816 -13.690 3.408 1.00 21.13 C ATOM 1027 O LEU A 60 16.362 -14.734 3.878 1.00 43.13 O ATOM 1028 CB LEU A 60 17.879 -12.054 4.974 1.00 61.31 C ATOM 1029 CG LEU A 60 19.119 -11.411 5.597 1.00 34.10 C ATOM 1030 CD1 LEU A 60 18.822 -9.981 6.021 1.00 71.01 C ATOM 1031 CD2 LEU A 60 19.606 -12.231 6.783 1.00 15.31 C ATOM 0 H LEU A 60 19.158 -11.569 2.927 1.00 41.45 H new ATOM 0 HA LEU A 60 18.723 -13.928 4.344 1.00 33.33 H new ATOM 0 HB2 LEU A 60 17.269 -11.266 4.532 1.00 61.31 H new ATOM 0 HB3 LEU A 60 17.289 -12.505 5.771 1.00 61.31 H new ATOM 0 HG LEU A 60 19.910 -11.389 4.847 1.00 34.10 H new ATOM 0 HD11 LEU A 60 19.716 -9.539 6.462 1.00 71.01 H new ATOM 0 HD12 LEU A 60 18.521 -9.398 5.150 1.00 71.01 H new ATOM 0 HD13 LEU A 60 18.016 -9.979 6.755 1.00 71.01 H new ATOM 0 HD21 LEU A 60 20.489 -11.759 7.214 1.00 15.31 H new ATOM 0 HD22 LEU A 60 18.819 -12.285 7.536 1.00 15.31 H new ATOM 0 HD23 LEU A 60 19.859 -13.238 6.450 1.00 15.31 H new ATOM 1043 N LYS A 61 16.202 -13.001 2.453 1.00 12.40 N ATOM 1044 CA LYS A 61 14.932 -13.440 1.887 1.00 32.45 C ATOM 1045 C LYS A 61 15.054 -14.843 1.300 1.00 45.54 C ATOM 1046 O LYS A 61 14.286 -15.741 1.643 1.00 12.34 O ATOM 1047 CB LYS A 61 14.465 -12.462 0.807 1.00 10.03 C ATOM 1048 CG LYS A 61 13.505 -11.403 1.320 1.00 14.20 C ATOM 1049 CD LYS A 61 12.703 -10.782 0.188 1.00 31.22 C ATOM 1050 CE LYS A 61 13.440 -9.609 -0.439 1.00 0.22 C ATOM 1051 NZ LYS A 61 12.539 -8.774 -1.281 1.00 63.23 N ATOM 0 H LYS A 61 16.564 -12.135 2.054 1.00 12.40 H new ATOM 0 HA LYS A 61 14.194 -13.464 2.689 1.00 32.45 H new ATOM 0 HB2 LYS A 61 15.336 -11.971 0.372 1.00 10.03 H new ATOM 0 HB3 LYS A 61 13.981 -13.022 0.006 1.00 10.03 H new ATOM 0 HG2 LYS A 61 12.826 -11.848 2.047 1.00 14.20 H new ATOM 0 HG3 LYS A 61 14.064 -10.625 1.840 1.00 14.20 H new ATOM 0 HD2 LYS A 61 12.502 -11.536 -0.573 1.00 31.22 H new ATOM 0 HD3 LYS A 61 11.738 -10.446 0.566 1.00 31.22 H new ATOM 0 HE2 LYS A 61 13.877 -8.993 0.347 1.00 0.22 H new ATOM 0 HE3 LYS A 61 14.264 -9.981 -1.048 1.00 0.22 H new ATOM 0 HZ1 LYS A 61 13.053 -8.452 -2.126 1.00 63.23 H new ATOM 0 HZ2 LYS A 61 11.715 -9.337 -1.572 1.00 63.23 H new ATOM 0 HZ3 LYS A 61 12.219 -7.949 -0.735 1.00 63.23 H new ATOM 1065 N LYS A 62 16.027 -15.024 0.412 1.00 33.12 N ATOM 1066 CA LYS A 62 16.253 -16.317 -0.222 1.00 33.41 C ATOM 1067 C LYS A 62 16.448 -17.410 0.825 1.00 51.24 C ATOM 1068 O LYS A 62 15.927 -18.517 0.687 1.00 54.33 O ATOM 1069 CB LYS A 62 17.475 -16.252 -1.140 1.00 42.31 C ATOM 1070 CG LYS A 62 17.267 -15.383 -2.369 1.00 21.42 C ATOM 1071 CD LYS A 62 18.392 -14.376 -2.537 1.00 10.24 C ATOM 1072 CE LYS A 62 18.146 -13.458 -3.724 1.00 73.13 C ATOM 1073 NZ LYS A 62 19.384 -12.741 -4.137 1.00 72.25 N ATOM 0 H LYS A 62 16.671 -14.291 0.116 1.00 33.12 H new ATOM 0 HA LYS A 62 15.372 -16.560 -0.817 1.00 33.41 H new ATOM 0 HB2 LYS A 62 18.324 -15.869 -0.574 1.00 42.31 H new ATOM 0 HB3 LYS A 62 17.734 -17.262 -1.459 1.00 42.31 H new ATOM 0 HG2 LYS A 62 17.207 -16.014 -3.256 1.00 21.42 H new ATOM 0 HG3 LYS A 62 16.316 -14.857 -2.287 1.00 21.42 H new ATOM 0 HD2 LYS A 62 18.487 -13.781 -1.629 1.00 10.24 H new ATOM 0 HD3 LYS A 62 19.336 -14.903 -2.673 1.00 10.24 H new ATOM 0 HE2 LYS A 62 17.768 -14.042 -4.563 1.00 73.13 H new ATOM 0 HE3 LYS A 62 17.374 -12.732 -3.468 1.00 73.13 H new ATOM 0 HZ1 LYS A 62 19.174 -12.126 -4.949 1.00 72.25 H new ATOM 0 HZ2 LYS A 62 19.731 -12.163 -3.345 1.00 72.25 H new ATOM 0 HZ3 LYS A 62 20.112 -13.433 -4.406 1.00 72.25 H new ATOM 1087 N LYS A 63 17.201 -17.092 1.872 1.00 12.41 N ATOM 1088 CA LYS A 63 17.463 -18.044 2.944 1.00 21.32 C ATOM 1089 C LYS A 63 16.175 -18.410 3.675 1.00 52.53 C ATOM 1090 O LYS A 63 16.020 -19.532 4.155 1.00 14.45 O ATOM 1091 CB LYS A 63 18.476 -17.464 3.934 1.00 51.22 C ATOM 1092 CG LYS A 63 19.911 -17.524 3.440 1.00 2.34 C ATOM 1093 CD LYS A 63 20.893 -17.140 4.534 1.00 24.25 C ATOM 1094 CE LYS A 63 22.212 -16.652 3.954 1.00 72.11 C ATOM 1095 NZ LYS A 63 23.055 -17.779 3.468 1.00 60.20 N ATOM 0 H LYS A 63 17.641 -16.181 2.001 1.00 12.41 H new ATOM 0 HA LYS A 63 17.877 -18.949 2.498 1.00 21.32 H new ATOM 0 HB2 LYS A 63 18.215 -16.426 4.142 1.00 51.22 H new ATOM 0 HB3 LYS A 63 18.402 -18.006 4.877 1.00 51.22 H new ATOM 0 HG2 LYS A 63 20.134 -18.531 3.087 1.00 2.34 H new ATOM 0 HG3 LYS A 63 20.032 -16.854 2.589 1.00 2.34 H new ATOM 0 HD2 LYS A 63 20.458 -16.359 5.157 1.00 24.25 H new ATOM 0 HD3 LYS A 63 21.074 -17.999 5.180 1.00 24.25 H new ATOM 0 HE2 LYS A 63 22.015 -15.965 3.131 1.00 72.11 H new ATOM 0 HE3 LYS A 63 22.757 -16.092 4.713 1.00 72.11 H new ATOM 0 HZ1 LYS A 63 23.945 -17.405 3.080 1.00 60.20 H new ATOM 0 HZ2 LYS A 63 23.265 -18.422 4.258 1.00 60.20 H new ATOM 0 HZ3 LYS A 63 22.545 -18.299 2.725 1.00 60.20 H new ATOM 1109 N ALA A 64 15.253 -17.455 3.753 1.00 62.13 N ATOM 1110 CA ALA A 64 13.977 -17.678 4.421 1.00 22.12 C ATOM 1111 C ALA A 64 13.000 -18.410 3.508 1.00 34.22 C ATOM 1112 O ALA A 64 11.834 -18.604 3.857 1.00 3.12 O ATOM 1113 CB ALA A 64 13.384 -16.355 4.880 1.00 14.44 C ATOM 0 H ALA A 64 15.367 -16.520 3.362 1.00 62.13 H new ATOM 0 HA ALA A 64 14.157 -18.305 5.294 1.00 22.12 H new ATOM 0 HB1 ALA A 64 12.431 -16.536 5.377 1.00 14.44 H new ATOM 0 HB2 ALA A 64 14.070 -15.871 5.575 1.00 14.44 H new ATOM 0 HB3 ALA A 64 13.226 -15.708 4.017 1.00 14.44 H new ATOM 1119 N LEU A 65 13.480 -18.814 2.338 1.00 62.34 N ATOM 1120 CA LEU A 65 12.648 -19.525 1.373 1.00 30.10 C ATOM 1121 C LEU A 65 11.601 -18.596 0.768 1.00 13.41 C ATOM 1122 O LEU A 65 10.520 -19.035 0.372 1.00 43.45 O ATOM 1123 CB LEU A 65 11.962 -20.718 2.042 1.00 4.43 C ATOM 1124 CG LEU A 65 12.828 -21.539 2.999 1.00 74.35 C ATOM 1125 CD1 LEU A 65 11.956 -22.372 3.926 1.00 53.24 C ATOM 1126 CD2 LEU A 65 13.784 -22.431 2.220 1.00 41.41 C ATOM 0 H LEU A 65 14.442 -18.662 2.034 1.00 62.34 H new ATOM 0 HA LEU A 65 13.293 -19.887 0.572 1.00 30.10 H new ATOM 0 HB2 LEU A 65 11.095 -20.352 2.592 1.00 4.43 H new ATOM 0 HB3 LEU A 65 11.588 -21.381 1.262 1.00 4.43 H new ATOM 0 HG LEU A 65 13.417 -20.852 3.607 1.00 74.35 H new ATOM 0 HD11 LEU A 65 12.589 -22.949 4.600 1.00 53.24 H new ATOM 0 HD12 LEU A 65 11.312 -21.714 4.509 1.00 53.24 H new ATOM 0 HD13 LEU A 65 11.341 -23.051 3.335 1.00 53.24 H new ATOM 0 HD21 LEU A 65 14.392 -23.008 2.916 1.00 41.41 H new ATOM 0 HD22 LEU A 65 13.213 -23.111 1.587 1.00 41.41 H new ATOM 0 HD23 LEU A 65 14.432 -21.814 1.598 1.00 41.41 H new ATOM 1138 N LEU A 66 11.928 -17.310 0.698 1.00 30.14 N ATOM 1139 CA LEU A 66 11.017 -16.318 0.139 1.00 15.22 C ATOM 1140 C LEU A 66 11.149 -16.251 -1.379 1.00 33.40 C ATOM 1141 O LEU A 66 10.187 -15.943 -2.083 1.00 61.35 O ATOM 1142 CB LEU A 66 11.294 -14.942 0.747 1.00 13.23 C ATOM 1143 CG LEU A 66 10.331 -14.487 1.845 1.00 42.21 C ATOM 1144 CD1 LEU A 66 11.026 -13.530 2.801 1.00 21.34 C ATOM 1145 CD2 LEU A 66 9.099 -13.834 1.236 1.00 13.14 C ATOM 0 H LEU A 66 12.818 -16.930 1.022 1.00 30.14 H new ATOM 0 HA LEU A 66 9.998 -16.619 0.384 1.00 15.22 H new ATOM 0 HB2 LEU A 66 12.304 -14.944 1.156 1.00 13.23 H new ATOM 0 HB3 LEU A 66 11.276 -14.203 -0.054 1.00 13.23 H new ATOM 0 HG LEU A 66 10.012 -15.364 2.409 1.00 42.21 H new ATOM 0 HD11 LEU A 66 10.326 -13.217 3.575 1.00 21.34 H new ATOM 0 HD12 LEU A 66 11.877 -14.031 3.262 1.00 21.34 H new ATOM 0 HD13 LEU A 66 11.374 -12.655 2.251 1.00 21.34 H new ATOM 0 HD21 LEU A 66 8.425 -13.516 2.031 1.00 13.14 H new ATOM 0 HD22 LEU A 66 9.400 -12.967 0.648 1.00 13.14 H new ATOM 0 HD23 LEU A 66 8.588 -14.550 0.592 1.00 13.14 H new ATOM 1157 N PHE A 67 12.345 -16.544 -1.877 1.00 24.41 N ATOM 1158 CA PHE A 67 12.603 -16.519 -3.312 1.00 25.21 C ATOM 1159 C PHE A 67 12.826 -17.930 -3.849 1.00 53.04 C ATOM 1160 O PHE A 67 13.629 -18.139 -4.757 1.00 41.04 O ATOM 1161 CB PHE A 67 13.823 -15.647 -3.617 1.00 60.11 C ATOM 1162 CG PHE A 67 13.578 -14.180 -3.408 1.00 24.04 C ATOM 1163 CD1 PHE A 67 12.297 -13.703 -3.185 1.00 53.24 C ATOM 1164 CD2 PHE A 67 14.630 -13.278 -3.432 1.00 60.34 C ATOM 1165 CE1 PHE A 67 12.069 -12.353 -2.993 1.00 72.31 C ATOM 1166 CE2 PHE A 67 14.408 -11.928 -3.240 1.00 43.53 C ATOM 1167 CZ PHE A 67 13.126 -11.465 -3.019 1.00 40.34 C ATOM 0 H PHE A 67 13.151 -16.802 -1.308 1.00 24.41 H new ATOM 0 HA PHE A 67 11.729 -16.095 -3.806 1.00 25.21 H new ATOM 0 HB2 PHE A 67 14.653 -15.963 -2.984 1.00 60.11 H new ATOM 0 HB3 PHE A 67 14.129 -15.813 -4.650 1.00 60.11 H new ATOM 0 HD1 PHE A 67 11.467 -14.393 -3.161 1.00 53.24 H new ATOM 0 HD2 PHE A 67 15.635 -13.635 -3.603 1.00 60.34 H new ATOM 0 HE1 PHE A 67 11.065 -11.993 -2.823 1.00 72.31 H new ATOM 0 HE2 PHE A 67 15.236 -11.235 -3.263 1.00 43.53 H new ATOM 0 HZ PHE A 67 12.950 -10.410 -2.867 1.00 40.34 H new TER 1177 PHE A 67