USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -0.778 K(o=-1.6,f=-9.8!) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.779 K(o=-1.6,f=-4.6!) USER MOD Set 2.1: A 32 GLN : amide:sc= 1.3 K(o=2.5,f=-4.2!) USER MOD Set 2.2: A 34 SER OG : rot 163:sc= 1.19 USER MOD Set 3.1: A 26 LYS NZ :NH3+ 170:sc= 0.504 (180deg=-0.226) USER MOD Set 3.2: A 27 THR OG1 : rot 130:sc= 0.465 USER MOD Set 4.1: A 25 TYR OH : rot -140:sc= -0.112 USER MOD Set 4.2: A 39 ASN : amide:sc= 0.894 K(o=1.1,f=2.3) USER MOD Set 4.3: A 44 THR OG1 : rot -20:sc= 0.287 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.251 (180deg=-0.0664) USER MOD Single : A 2 SER OG : rot 55:sc= 0.255 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00838 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0904 USER MOD Single : A 11 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0.965 (180deg=0.881) USER MOD Single : A 20 TYR OH : rot -55:sc= -0.166 USER MOD Single : A 35 GLN : amide:sc= 0.0464 K(o=0.046,f=-0.61) USER MOD Single : A 38 LYS NZ :NH3+ -110:sc= 1.22 (180deg=-2.22!) USER MOD Single : A 41 MET CE :methyl 172:sc= 0 (180deg=-0.0726) USER MOD Single : A 42 THR OG1 : rot -76:sc= 0.513 USER MOD Single : A 48 GLN : amide:sc= 1.09 K(o=1.1,f=-0.78!) USER MOD Single : A 51 ASN : amide:sc= 0.123 K(o=0.12,f=-7.5!) USER MOD Single : A 54 CYS SG : rot 89:sc= -1.46 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.613 (180deg=-1.56!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -137:sc= -0.465 (180deg=-3.23!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 70 MET CE :methyl 173:sc= -1.12 (180deg=-1.22) USER MOD Single : A 71 MET CE :methyl -167:sc= -0.0103 (180deg=-0.444) USER MOD Single : A 72 THR OG1 : rot 44:sc= 1.41 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.367 USER MOD Single : A 82 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.055) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.889 -7.564 -12.703 1.00 0.00 N ATOM 2 CA MET A 1 0.701 -7.661 -11.818 1.00 0.00 C ATOM 3 C MET A 1 1.170 -8.012 -10.409 1.00 0.00 C ATOM 4 O MET A 1 2.367 -8.205 -10.249 1.00 0.00 O ATOM 5 CB MET A 1 -0.306 -8.700 -12.343 1.00 0.00 C ATOM 6 CG MET A 1 -0.977 -8.242 -13.642 1.00 0.00 C ATOM 7 SD MET A 1 -2.176 -9.442 -14.265 1.00 0.00 S ATOM 8 CE MET A 1 -2.848 -8.537 -15.686 1.00 0.00 C ATOM 0 H1 MET A 1 1.935 -6.612 -13.119 1.00 0.00 H new ATOM 0 H2 MET A 1 2.751 -7.741 -12.148 1.00 0.00 H new ATOM 0 H3 MET A 1 1.815 -8.271 -13.462 1.00 0.00 H new ATOM 0 HA MET A 1 0.183 -6.702 -11.802 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.206 -9.647 -12.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.068 -8.881 -11.585 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.477 -7.289 -13.472 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.213 -8.070 -14.400 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.605 -9.146 -16.180 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.298 -7.605 -15.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.045 -8.315 -16.389 1.00 0.00 H new ATOM 20 N SER A 2 0.259 -8.066 -9.426 1.00 0.00 N ATOM 21 CA SER A 2 0.490 -8.589 -8.061 1.00 0.00 C ATOM 22 C SER A 2 1.904 -8.373 -7.468 1.00 0.00 C ATOM 23 O SER A 2 2.602 -9.359 -7.223 1.00 0.00 O ATOM 24 CB SER A 2 0.092 -10.075 -8.023 1.00 0.00 C ATOM 25 OG SER A 2 0.902 -10.808 -8.919 1.00 0.00 O ATOM 0 H SER A 2 -0.697 -7.735 -9.560 1.00 0.00 H new ATOM 0 HA SER A 2 -0.143 -7.989 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.205 -10.466 -7.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.958 -10.187 -8.292 1.00 0.00 H new ATOM 0 HG SER A 2 1.846 -10.653 -8.708 1.00 0.00 H new ATOM 31 N PRO A 3 2.352 -7.119 -7.249 1.00 0.00 N ATOM 32 CA PRO A 3 3.609 -6.846 -6.542 1.00 0.00 C ATOM 33 C PRO A 3 3.514 -7.135 -5.030 1.00 0.00 C ATOM 34 O PRO A 3 4.530 -7.256 -4.358 1.00 0.00 O ATOM 35 CB PRO A 3 3.888 -5.363 -6.807 1.00 0.00 C ATOM 36 CG PRO A 3 2.486 -4.759 -6.901 1.00 0.00 C ATOM 37 CD PRO A 3 1.666 -5.870 -7.560 1.00 0.00 C ATOM 0 HA PRO A 3 4.411 -7.494 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.468 -4.912 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.453 -5.217 -7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.094 -4.499 -5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.480 -3.847 -7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.645 -5.880 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.601 -5.719 -8.638 1.00 0.00 H new ATOM 45 N THR A 4 2.292 -7.222 -4.499 1.00 0.00 N ATOM 46 CA THR A 4 1.958 -7.509 -3.100 1.00 0.00 C ATOM 47 C THR A 4 2.329 -8.937 -2.692 1.00 0.00 C ATOM 48 O THR A 4 1.901 -9.878 -3.360 1.00 0.00 O ATOM 49 CB THR A 4 0.441 -7.343 -2.921 1.00 0.00 C ATOM 50 OG1 THR A 4 -0.026 -6.171 -3.556 1.00 0.00 O ATOM 51 CG2 THR A 4 0.041 -7.236 -1.460 1.00 0.00 C ATOM 0 H THR A 4 1.457 -7.086 -5.069 1.00 0.00 H new ATOM 0 HA THR A 4 2.525 -6.819 -2.474 1.00 0.00 H new ATOM 0 HB THR A 4 -0.001 -8.234 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.994 -6.093 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.040 -7.120 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.346 -8.140 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.530 -6.371 -1.011 1.00 0.00 H new ATOM 59 N SER A 5 3.052 -9.081 -1.577 1.00 0.00 N ATOM 60 CA SER A 5 3.492 -10.313 -0.889 1.00 0.00 C ATOM 61 C SER A 5 2.388 -10.982 -0.038 1.00 0.00 C ATOM 62 O SER A 5 1.200 -10.693 -0.202 1.00 0.00 O ATOM 63 CB SER A 5 4.686 -9.919 -0.001 1.00 0.00 C ATOM 64 OG SER A 5 4.396 -8.740 0.730 1.00 0.00 O ATOM 0 H SER A 5 3.381 -8.255 -1.077 1.00 0.00 H new ATOM 0 HA SER A 5 3.759 -11.057 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.919 -10.732 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.570 -9.762 -0.619 1.00 0.00 H new ATOM 0 HG SER A 5 5.165 -8.505 1.290 1.00 0.00 H new ATOM 70 N ILE A 6 2.725 -11.949 0.830 1.00 0.00 N ATOM 71 CA ILE A 6 1.810 -12.468 1.871 1.00 0.00 C ATOM 72 C ILE A 6 1.633 -11.476 3.032 1.00 0.00 C ATOM 73 O ILE A 6 0.533 -11.393 3.584 1.00 0.00 O ATOM 74 CB ILE A 6 2.219 -13.883 2.366 1.00 0.00 C ATOM 75 CG1 ILE A 6 1.392 -14.390 3.575 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.726 -14.131 2.559 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.801 -13.989 4.997 1.00 0.00 C ATOM 0 H ILE A 6 3.641 -12.397 0.833 1.00 0.00 H new ATOM 0 HA ILE A 6 0.834 -12.577 1.399 1.00 0.00 H new ATOM 0 HB ILE A 6 1.953 -14.501 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.364 -14.061 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.387 -15.479 3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.885 -15.152 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.243 -13.985 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.118 -13.431 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.110 -14.434 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.812 -14.344 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.772 -12.903 5.091 1.00 0.00 H new ATOM 89 N LEU A 7 2.692 -10.734 3.377 1.00 0.00 N ATOM 90 CA LEU A 7 2.780 -9.759 4.477 1.00 0.00 C ATOM 91 C LEU A 7 1.988 -8.465 4.192 1.00 0.00 C ATOM 92 O LEU A 7 2.534 -7.370 4.104 1.00 0.00 O ATOM 93 CB LEU A 7 4.267 -9.500 4.797 1.00 0.00 C ATOM 94 CG LEU A 7 5.053 -10.746 5.253 1.00 0.00 C ATOM 95 CD1 LEU A 7 6.512 -10.365 5.495 1.00 0.00 C ATOM 96 CD2 LEU A 7 4.487 -11.335 6.547 1.00 0.00 C ATOM 0 H LEU A 7 3.570 -10.801 2.862 1.00 0.00 H new ATOM 0 HA LEU A 7 2.302 -10.179 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.749 -9.087 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.330 -8.741 5.577 1.00 0.00 H new ATOM 0 HG LEU A 7 4.969 -11.494 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.069 -11.245 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.945 -9.979 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.564 -9.599 6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.069 -12.211 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.540 -10.589 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.448 -11.625 6.391 1.00 0.00 H new ATOM 108 N ASP A 8 0.687 -8.654 4.008 1.00 0.00 N ATOM 109 CA ASP A 8 -0.346 -7.727 3.535 1.00 0.00 C ATOM 110 C ASP A 8 -1.719 -8.275 3.970 1.00 0.00 C ATOM 111 O ASP A 8 -2.519 -7.587 4.601 1.00 0.00 O ATOM 112 CB ASP A 8 -0.243 -7.668 1.998 1.00 0.00 C ATOM 113 CG ASP A 8 -1.522 -7.193 1.303 1.00 0.00 C ATOM 114 OD1 ASP A 8 -1.681 -5.963 1.142 1.00 0.00 O ATOM 115 OD2 ASP A 8 -2.292 -8.083 0.863 1.00 0.00 O ATOM 0 H ASP A 8 0.278 -9.567 4.209 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.220 -6.726 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.575 -7.001 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.015 -8.659 1.624 1.00 0.00 H new ATOM 120 N ILE A 9 -1.943 -9.571 3.728 1.00 0.00 N ATOM 121 CA ILE A 9 -3.110 -10.321 4.202 1.00 0.00 C ATOM 122 C ILE A 9 -2.909 -10.730 5.676 1.00 0.00 C ATOM 123 O ILE A 9 -1.786 -10.791 6.162 1.00 0.00 O ATOM 124 CB ILE A 9 -3.385 -11.570 3.327 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.680 -11.578 1.954 1.00 0.00 C ATOM 126 CG2 ILE A 9 -4.911 -11.755 3.170 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.944 -12.847 1.145 1.00 0.00 C ATOM 0 H ILE A 9 -1.299 -10.143 3.182 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.981 -9.670 4.124 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.946 -12.416 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.011 -10.713 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.606 -11.468 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.110 -12.633 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.364 -11.890 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.337 -10.873 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.419 -12.787 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.587 -13.714 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.014 -12.947 0.964 1.00 0.00 H new ATOM 139 N ARG A 10 -3.980 -11.155 6.360 1.00 0.00 N ATOM 140 CA ARG A 10 -4.077 -11.486 7.804 1.00 0.00 C ATOM 141 C ARG A 10 -3.007 -12.372 8.482 1.00 0.00 C ATOM 142 O ARG A 10 -3.110 -12.542 9.689 1.00 0.00 O ATOM 143 CB ARG A 10 -5.510 -11.995 8.081 1.00 0.00 C ATOM 144 CG ARG A 10 -5.886 -13.309 7.365 1.00 0.00 C ATOM 145 CD ARG A 10 -5.518 -14.593 8.137 1.00 0.00 C ATOM 146 NE ARG A 10 -6.731 -15.292 8.636 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.594 -16.006 7.918 1.00 0.00 C ATOM 148 NH1 ARG A 10 -7.433 -16.276 6.661 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.678 -16.510 8.415 1.00 0.00 N ATOM 0 H ARG A 10 -4.875 -11.290 5.889 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.842 -10.543 8.297 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.627 -12.138 9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.218 -11.221 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.960 -13.310 7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.392 -13.331 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.953 -15.261 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.870 -14.342 8.977 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.922 -15.216 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.608 -15.935 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.131 -16.829 6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.902 -16.367 9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.308 -17.050 7.822 1.00 0.00 H new ATOM 163 N GLN A 11 -2.052 -12.974 7.761 1.00 0.00 N ATOM 164 CA GLN A 11 -0.835 -13.709 8.201 1.00 0.00 C ATOM 165 C GLN A 11 -0.886 -14.736 9.353 1.00 0.00 C ATOM 166 O GLN A 11 0.124 -15.279 9.787 1.00 0.00 O ATOM 167 CB GLN A 11 0.285 -12.695 8.405 1.00 0.00 C ATOM 168 CG GLN A 11 0.189 -11.783 9.644 1.00 0.00 C ATOM 169 CD GLN A 11 1.318 -10.752 9.720 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.119 -9.592 10.043 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.550 -11.125 9.448 1.00 0.00 N ATOM 0 H GLN A 11 -2.110 -12.963 6.743 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.671 -14.405 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.228 -13.239 8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.332 -12.060 7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.769 -11.263 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.206 -12.399 10.543 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.743 -12.089 9.176 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.312 -10.450 9.509 1.00 0.00 H new ATOM 180 N GLY A 12 -2.081 -15.026 9.823 1.00 0.00 N ATOM 181 CA GLY A 12 -2.376 -15.752 11.039 1.00 0.00 C ATOM 182 C GLY A 12 -3.811 -16.257 11.077 1.00 0.00 C ATOM 183 O GLY A 12 -4.607 -15.810 11.897 1.00 0.00 O ATOM 0 H GLY A 12 -2.928 -14.741 9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.693 -16.597 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.198 -15.105 11.898 1.00 0.00 H new ATOM 187 N PRO A 13 -4.170 -17.204 10.198 1.00 0.00 N ATOM 188 CA PRO A 13 -5.438 -17.915 10.294 1.00 0.00 C ATOM 189 C PRO A 13 -5.505 -18.754 11.569 1.00 0.00 C ATOM 190 O PRO A 13 -6.565 -18.874 12.165 1.00 0.00 O ATOM 191 CB PRO A 13 -5.486 -18.811 9.053 1.00 0.00 C ATOM 192 CG PRO A 13 -4.015 -19.068 8.744 1.00 0.00 C ATOM 193 CD PRO A 13 -3.326 -17.774 9.165 1.00 0.00 C ATOM 0 HA PRO A 13 -6.283 -17.228 10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.023 -19.739 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.991 -18.319 8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.633 -19.924 9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.859 -19.279 7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.322 -17.969 9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.223 -17.092 8.321 1.00 0.00 H new ATOM 201 N LYS A 14 -4.356 -19.294 11.994 1.00 0.00 N ATOM 202 CA LYS A 14 -4.181 -20.336 13.038 1.00 0.00 C ATOM 203 C LYS A 14 -4.969 -21.651 12.818 1.00 0.00 C ATOM 204 O LYS A 14 -4.382 -22.706 13.024 1.00 0.00 O ATOM 205 CB LYS A 14 -4.443 -19.726 14.432 1.00 0.00 C ATOM 206 CG LYS A 14 -4.383 -20.755 15.579 1.00 0.00 C ATOM 207 CD LYS A 14 -4.583 -20.110 16.959 1.00 0.00 C ATOM 208 CE LYS A 14 -3.361 -19.309 17.434 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.249 -20.199 17.850 1.00 0.00 N ATOM 0 H LYS A 14 -3.462 -19.003 11.599 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.143 -20.659 12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.709 -18.942 14.620 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.424 -19.251 14.433 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.149 -21.514 15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.420 -21.264 15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.450 -19.451 16.923 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.805 -20.889 17.688 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.022 -18.653 16.632 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.647 -18.670 18.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.374 -19.644 17.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.476 -20.632 18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.117 -20.945 17.138 1.00 0.00 H new ATOM 223 N GLU A 15 -6.234 -21.591 12.395 1.00 0.00 N ATOM 224 CA GLU A 15 -7.194 -22.694 12.261 1.00 0.00 C ATOM 225 C GLU A 15 -7.728 -22.822 10.810 1.00 0.00 C ATOM 226 O GLU A 15 -7.625 -23.922 10.260 1.00 0.00 O ATOM 227 CB GLU A 15 -8.292 -22.484 13.328 1.00 0.00 C ATOM 228 CG GLU A 15 -9.461 -23.467 13.255 1.00 0.00 C ATOM 229 CD GLU A 15 -10.676 -23.010 12.436 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.693 -23.172 11.194 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.750 -22.791 13.026 1.00 0.00 O ATOM 0 H GLU A 15 -6.648 -20.702 12.115 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.715 -23.656 12.445 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.837 -22.557 14.316 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.682 -21.471 13.231 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.096 -24.404 12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.793 -23.682 14.271 1.00 0.00 H new ATOM 238 N PRO A 16 -8.191 -21.734 10.143 1.00 0.00 N ATOM 239 CA PRO A 16 -8.516 -21.681 8.710 1.00 0.00 C ATOM 240 C PRO A 16 -7.399 -22.116 7.731 1.00 0.00 C ATOM 241 O PRO A 16 -6.840 -21.298 7.000 1.00 0.00 O ATOM 242 CB PRO A 16 -9.067 -20.264 8.437 1.00 0.00 C ATOM 243 CG PRO A 16 -9.023 -19.515 9.759 1.00 0.00 C ATOM 244 CD PRO A 16 -8.862 -20.610 10.790 1.00 0.00 C ATOM 0 HA PRO A 16 -9.263 -22.446 8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.467 -19.754 7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.086 -20.312 8.054 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.192 -18.810 9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.935 -18.941 9.924 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.278 -20.253 11.639 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.834 -20.916 11.177 1.00 0.00 H new ATOM 252 N PHE A 17 -7.076 -23.418 7.668 1.00 0.00 N ATOM 253 CA PHE A 17 -6.056 -23.964 6.761 1.00 0.00 C ATOM 254 C PHE A 17 -6.376 -23.608 5.307 1.00 0.00 C ATOM 255 O PHE A 17 -5.640 -22.849 4.691 1.00 0.00 O ATOM 256 CB PHE A 17 -5.858 -25.491 6.954 1.00 0.00 C ATOM 257 CG PHE A 17 -4.497 -25.903 7.513 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.989 -25.247 8.653 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.717 -26.912 6.893 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.697 -25.542 9.122 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.415 -27.191 7.361 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.906 -26.493 8.464 1.00 0.00 C ATOM 0 H PHE A 17 -7.520 -24.127 8.251 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.105 -23.498 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.635 -25.861 7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.003 -25.985 5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.594 -24.516 9.168 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.120 -27.469 6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.312 -25.033 9.994 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.812 -27.941 6.870 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.901 -26.689 8.808 1.00 0.00 H new ATOM 272 N ARG A 18 -7.506 -24.074 4.752 1.00 0.00 N ATOM 273 CA ARG A 18 -7.856 -23.842 3.336 1.00 0.00 C ATOM 274 C ARG A 18 -8.022 -22.354 2.984 1.00 0.00 C ATOM 275 O ARG A 18 -7.474 -21.851 2.009 1.00 0.00 O ATOM 276 CB ARG A 18 -9.068 -24.715 2.961 1.00 0.00 C ATOM 277 CG ARG A 18 -10.396 -24.355 3.647 1.00 0.00 C ATOM 278 CD ARG A 18 -11.130 -23.218 2.924 1.00 0.00 C ATOM 279 NE ARG A 18 -12.229 -23.729 2.085 1.00 0.00 N ATOM 280 CZ ARG A 18 -13.491 -23.890 2.451 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.935 -23.498 3.610 1.00 0.00 N ATOM 282 NH2 ARG A 18 -14.346 -24.460 1.649 1.00 0.00 N ATOM 0 H ARG A 18 -8.200 -24.618 5.265 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.016 -24.153 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.212 -24.658 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.830 -25.752 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.037 -25.236 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.203 -24.062 4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.527 -22.516 3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.425 -22.665 2.304 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.993 -23.984 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.303 -23.049 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.915 -23.640 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.045 -24.786 0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.316 -24.580 1.940 1.00 0.00 H new ATOM 296 N ASP A 19 -8.750 -21.656 3.859 1.00 0.00 N ATOM 297 CA ASP A 19 -9.193 -20.249 3.736 1.00 0.00 C ATOM 298 C ASP A 19 -8.033 -19.256 3.603 1.00 0.00 C ATOM 299 O ASP A 19 -8.184 -18.134 3.122 1.00 0.00 O ATOM 300 CB ASP A 19 -10.043 -19.930 4.976 1.00 0.00 C ATOM 301 CG ASP A 19 -10.230 -18.428 5.221 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.034 -17.834 4.477 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.553 -17.888 6.132 1.00 0.00 O ATOM 0 H ASP A 19 -9.071 -22.078 4.731 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.769 -20.140 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.022 -20.396 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.574 -20.377 5.853 1.00 0.00 H new ATOM 308 N TYR A 20 -6.849 -19.714 3.985 1.00 0.00 N ATOM 309 CA TYR A 20 -5.621 -18.944 3.894 1.00 0.00 C ATOM 310 C TYR A 20 -4.529 -19.610 3.074 1.00 0.00 C ATOM 311 O TYR A 20 -3.741 -18.900 2.459 1.00 0.00 O ATOM 312 CB TYR A 20 -5.117 -18.624 5.295 1.00 0.00 C ATOM 313 CG TYR A 20 -4.167 -17.445 5.302 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.625 -16.201 4.828 1.00 0.00 C ATOM 315 CD2 TYR A 20 -2.827 -17.593 5.705 1.00 0.00 C ATOM 316 CE1 TYR A 20 -3.748 -15.110 4.752 1.00 0.00 C ATOM 317 CE2 TYR A 20 -1.951 -16.496 5.655 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.404 -15.260 5.153 1.00 0.00 C ATOM 319 OH TYR A 20 -1.541 -14.221 5.065 1.00 0.00 O ATOM 0 H TYR A 20 -6.715 -20.648 4.373 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.868 -18.027 3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.965 -18.410 5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.613 -19.498 5.707 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.654 -16.087 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.471 -18.551 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.101 -14.157 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.933 -16.600 6.000 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.533 -13.879 4.147 1.00 0.00 H new ATOM 329 N VAL A 21 -4.497 -20.942 2.992 1.00 0.00 N ATOM 330 CA VAL A 21 -3.480 -21.644 2.209 1.00 0.00 C ATOM 331 C VAL A 21 -3.510 -21.249 0.753 1.00 0.00 C ATOM 332 O VAL A 21 -2.463 -20.952 0.196 1.00 0.00 O ATOM 333 CB VAL A 21 -3.582 -23.164 2.349 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.644 -23.892 1.524 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.240 -23.767 2.032 1.00 0.00 C ATOM 0 H VAL A 21 -5.165 -21.556 3.459 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.521 -21.335 2.624 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.905 -23.307 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.594 -24.961 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.632 -23.517 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.464 -23.717 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.297 -24.851 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.956 -23.507 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.494 -23.380 2.726 1.00 0.00 H new ATOM 345 N ASP A 22 -4.697 -21.172 0.159 1.00 0.00 N ATOM 346 CA ASP A 22 -4.843 -20.767 -1.226 1.00 0.00 C ATOM 347 C ASP A 22 -4.358 -19.330 -1.458 1.00 0.00 C ATOM 348 O ASP A 22 -3.613 -18.999 -2.381 1.00 0.00 O ATOM 349 CB ASP A 22 -6.332 -20.922 -1.501 1.00 0.00 C ATOM 350 CG ASP A 22 -6.726 -22.393 -1.696 1.00 0.00 C ATOM 351 OD1 ASP A 22 -6.048 -23.063 -2.508 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.651 -22.849 -0.993 1.00 0.00 O ATOM 0 H ASP A 22 -5.578 -21.388 0.626 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.235 -21.369 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.900 -20.500 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.598 -20.353 -2.392 1.00 0.00 H new ATOM 357 N ARG A 23 -4.780 -18.457 -0.552 1.00 0.00 N ATOM 358 CA ARG A 23 -4.537 -17.003 -0.576 1.00 0.00 C ATOM 359 C ARG A 23 -3.102 -16.627 -0.217 1.00 0.00 C ATOM 360 O ARG A 23 -2.666 -15.538 -0.580 1.00 0.00 O ATOM 361 CB ARG A 23 -5.530 -16.245 0.332 1.00 0.00 C ATOM 362 CG ARG A 23 -6.854 -16.963 0.611 1.00 0.00 C ATOM 363 CD ARG A 23 -7.590 -17.387 -0.659 1.00 0.00 C ATOM 364 NE ARG A 23 -8.557 -16.379 -1.102 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.337 -16.483 -2.160 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.365 -17.565 -2.889 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.116 -15.495 -2.499 1.00 0.00 N ATOM 0 H ARG A 23 -5.326 -18.747 0.259 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.700 -16.696 -1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.040 -16.041 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.750 -15.281 -0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.660 -17.845 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.499 -16.307 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.866 -17.567 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.107 -18.330 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.633 -15.527 -0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.773 -18.359 -2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.979 -17.616 -3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.123 -14.638 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.718 -15.578 -3.318 1.00 0.00 H new ATOM 381 N PHE A 24 -2.383 -17.505 0.477 1.00 0.00 N ATOM 382 CA PHE A 24 -0.953 -17.380 0.783 1.00 0.00 C ATOM 383 C PHE A 24 -0.060 -18.078 -0.258 1.00 0.00 C ATOM 384 O PHE A 24 0.880 -17.448 -0.757 1.00 0.00 O ATOM 385 CB PHE A 24 -0.737 -17.957 2.184 1.00 0.00 C ATOM 386 CG PHE A 24 0.656 -17.940 2.791 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.798 -17.386 2.172 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.790 -18.475 4.077 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.052 -17.451 2.800 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.047 -18.551 4.685 1.00 0.00 C ATOM 391 CZ PHE A 24 3.202 -18.105 4.022 1.00 0.00 C ATOM 0 H PHE A 24 -2.793 -18.358 0.858 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.663 -16.330 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.397 -17.419 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.074 -18.994 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.706 -16.908 1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.083 -18.832 4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.909 -16.990 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.131 -18.960 5.681 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.181 -18.265 4.448 1.00 0.00 H new ATOM 401 N TYR A 25 -0.348 -19.325 -0.655 1.00 0.00 N ATOM 402 CA TYR A 25 0.424 -19.999 -1.712 1.00 0.00 C ATOM 403 C TYR A 25 0.526 -19.122 -2.979 1.00 0.00 C ATOM 404 O TYR A 25 1.584 -19.116 -3.598 1.00 0.00 O ATOM 405 CB TYR A 25 -0.056 -21.444 -1.959 1.00 0.00 C ATOM 406 CG TYR A 25 0.700 -22.522 -1.172 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.066 -22.340 0.181 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.110 -23.702 -1.830 1.00 0.00 C ATOM 409 CE1 TYR A 25 1.908 -23.267 0.829 1.00 0.00 C ATOM 410 CE2 TYR A 25 1.966 -24.623 -1.194 1.00 0.00 C ATOM 411 CZ TYR A 25 2.400 -24.384 0.127 1.00 0.00 C ATOM 412 OH TYR A 25 3.284 -25.234 0.706 1.00 0.00 O ATOM 0 H TYR A 25 -1.105 -19.886 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 25 1.449 -20.118 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.115 -21.507 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.032 -21.663 -3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.697 -21.482 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.763 -23.901 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.176 -23.120 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.289 -25.511 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 25 3.960 -25.501 0.048 1.00 0.00 H new ATOM 422 N LYS A 26 -0.486 -18.274 -3.252 1.00 0.00 N ATOM 423 CA LYS A 26 -0.525 -17.141 -4.209 1.00 0.00 C ATOM 424 C LYS A 26 0.794 -16.353 -4.341 1.00 0.00 C ATOM 425 O LYS A 26 1.137 -15.925 -5.441 1.00 0.00 O ATOM 426 CB LYS A 26 -1.683 -16.233 -3.724 1.00 0.00 C ATOM 427 CG LYS A 26 -1.912 -14.878 -4.428 1.00 0.00 C ATOM 428 CD LYS A 26 -1.114 -13.695 -3.839 1.00 0.00 C ATOM 429 CE LYS A 26 -1.629 -13.132 -2.501 1.00 0.00 C ATOM 430 NZ LYS A 26 -0.733 -12.074 -1.949 1.00 0.00 N ATOM 0 H LYS A 26 -1.378 -18.370 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.680 -17.526 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.607 -16.806 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.523 -16.031 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.652 -14.984 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.974 -14.638 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.080 -14.012 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.106 -12.888 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.628 -12.721 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.718 -13.943 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.200 -11.609 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.158 -12.505 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.532 -11.370 -2.687 1.00 0.00 H new ATOM 444 N THR A 27 1.507 -16.141 -3.232 1.00 0.00 N ATOM 445 CA THR A 27 2.710 -15.301 -3.135 1.00 0.00 C ATOM 446 C THR A 27 3.920 -16.000 -2.549 1.00 0.00 C ATOM 447 O THR A 27 5.017 -15.739 -3.032 1.00 0.00 O ATOM 448 CB THR A 27 2.465 -14.037 -2.308 1.00 0.00 C ATOM 449 OG1 THR A 27 1.351 -14.111 -1.434 1.00 0.00 O ATOM 450 CG2 THR A 27 2.301 -12.855 -3.230 1.00 0.00 C ATOM 0 H THR A 27 1.254 -16.566 -2.340 1.00 0.00 H new ATOM 0 HA THR A 27 2.927 -15.052 -4.174 1.00 0.00 H new ATOM 0 HB THR A 27 3.341 -13.924 -1.669 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.621 -13.830 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.127 -11.955 -2.640 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.206 -12.729 -3.825 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.452 -13.025 -3.892 1.00 0.00 H new ATOM 458 N LEU A 28 3.757 -16.917 -1.591 1.00 0.00 N ATOM 459 CA LEU A 28 4.851 -17.798 -1.169 1.00 0.00 C ATOM 460 C LEU A 28 5.591 -18.416 -2.380 1.00 0.00 C ATOM 461 O LEU A 28 6.813 -18.284 -2.449 1.00 0.00 O ATOM 462 CB LEU A 28 4.272 -18.811 -0.179 1.00 0.00 C ATOM 463 CG LEU A 28 5.191 -19.996 0.169 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.509 -20.003 1.662 1.00 0.00 C ATOM 465 CD2 LEU A 28 4.496 -21.287 -0.234 1.00 0.00 C ATOM 0 H LEU A 28 2.880 -17.069 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 28 5.634 -17.240 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.018 -18.288 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.342 -19.203 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 28 6.132 -19.903 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.160 -20.847 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.011 -19.074 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.584 -20.093 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.136 -22.136 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.554 -21.378 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.298 -21.275 -1.306 1.00 0.00 H new ATOM 477 N ARG A 29 4.874 -18.920 -3.399 1.00 0.00 N ATOM 478 CA ARG A 29 5.445 -19.370 -4.699 1.00 0.00 C ATOM 479 C ARG A 29 6.180 -18.309 -5.544 1.00 0.00 C ATOM 480 O ARG A 29 6.581 -18.586 -6.675 1.00 0.00 O ATOM 481 CB ARG A 29 4.390 -20.161 -5.490 1.00 0.00 C ATOM 482 CG ARG A 29 3.203 -19.359 -6.051 1.00 0.00 C ATOM 483 CD ARG A 29 3.158 -19.292 -7.577 1.00 0.00 C ATOM 484 NE ARG A 29 4.244 -18.471 -8.129 1.00 0.00 N ATOM 485 CZ ARG A 29 4.169 -17.439 -8.942 1.00 0.00 C ATOM 486 NH1 ARG A 29 3.032 -16.927 -9.323 1.00 0.00 N ATOM 487 NH2 ARG A 29 5.268 -16.888 -9.372 1.00 0.00 N ATOM 0 H ARG A 29 3.861 -19.032 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 29 6.270 -20.032 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.890 -20.657 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.996 -20.944 -4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.276 -19.804 -5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.245 -18.344 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.224 -20.301 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.199 -18.882 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 29 5.186 -18.738 -7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.155 -17.327 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.019 -16.126 -9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.172 -17.257 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.224 -16.087 -10.003 1.00 0.00 H new ATOM 501 N ALA A 30 6.361 -17.098 -5.026 1.00 0.00 N ATOM 502 CA ALA A 30 7.103 -15.990 -5.629 1.00 0.00 C ATOM 503 C ALA A 30 8.057 -15.260 -4.654 1.00 0.00 C ATOM 504 O ALA A 30 8.967 -14.593 -5.134 1.00 0.00 O ATOM 505 CB ALA A 30 6.094 -15.010 -6.243 1.00 0.00 C ATOM 0 H ALA A 30 5.970 -16.846 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 30 7.756 -16.411 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.628 -14.176 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.506 -15.523 -7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.431 -14.634 -5.464 1.00 0.00 H new ATOM 511 N GLU A 31 7.918 -15.419 -3.327 1.00 0.00 N ATOM 512 CA GLU A 31 8.799 -14.767 -2.325 1.00 0.00 C ATOM 513 C GLU A 31 9.574 -15.769 -1.449 1.00 0.00 C ATOM 514 O GLU A 31 10.708 -15.512 -1.062 1.00 0.00 O ATOM 515 CB GLU A 31 8.019 -13.722 -1.504 1.00 0.00 C ATOM 516 CG GLU A 31 7.059 -14.300 -0.456 1.00 0.00 C ATOM 517 CD GLU A 31 6.142 -13.204 0.105 1.00 0.00 C ATOM 518 OE1 GLU A 31 6.582 -12.410 0.965 1.00 0.00 O ATOM 519 OE2 GLU A 31 4.965 -13.145 -0.313 1.00 0.00 O ATOM 0 H GLU A 31 7.192 -16.003 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 31 9.572 -14.234 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.734 -13.072 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.449 -13.096 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.457 -15.090 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.629 -14.754 0.355 1.00 0.00 H new ATOM 526 N GLN A 32 9.006 -16.957 -1.233 1.00 0.00 N ATOM 527 CA GLN A 32 9.672 -18.146 -0.670 1.00 0.00 C ATOM 528 C GLN A 32 10.141 -19.079 -1.812 1.00 0.00 C ATOM 529 O GLN A 32 10.931 -19.995 -1.608 1.00 0.00 O ATOM 530 CB GLN A 32 8.648 -18.892 0.218 1.00 0.00 C ATOM 531 CG GLN A 32 9.173 -19.452 1.546 1.00 0.00 C ATOM 532 CD GLN A 32 9.766 -20.861 1.444 1.00 0.00 C ATOM 533 OE1 GLN A 32 9.134 -21.884 1.670 1.00 0.00 O ATOM 534 NE2 GLN A 32 11.002 -21.017 1.036 1.00 0.00 N ATOM 0 H GLN A 32 8.025 -17.130 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 32 10.541 -17.847 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.826 -18.211 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.233 -19.718 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.935 -18.777 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.358 -19.465 2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.578 -20.201 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.387 -21.955 0.923 1.00 0.00 H new ATOM 543 N ALA A 33 9.585 -18.863 -3.009 1.00 0.00 N ATOM 544 CA ALA A 33 9.626 -19.691 -4.221 1.00 0.00 C ATOM 545 C ALA A 33 8.971 -21.088 -4.085 1.00 0.00 C ATOM 546 O ALA A 33 8.711 -21.740 -5.094 1.00 0.00 O ATOM 547 CB ALA A 33 11.051 -19.724 -4.793 1.00 0.00 C ATOM 0 H ALA A 33 9.039 -18.017 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 33 8.981 -19.205 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.068 -20.341 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.366 -18.711 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.731 -20.143 -4.052 1.00 0.00 H new ATOM 553 N SER A 34 8.637 -21.541 -2.876 1.00 0.00 N ATOM 554 CA SER A 34 8.022 -22.851 -2.639 1.00 0.00 C ATOM 555 C SER A 34 6.596 -22.989 -3.184 1.00 0.00 C ATOM 556 O SER A 34 5.770 -22.096 -3.045 1.00 0.00 O ATOM 557 CB SER A 34 7.969 -23.120 -1.137 1.00 0.00 C ATOM 558 OG SER A 34 9.282 -23.172 -0.631 1.00 0.00 O ATOM 0 H SER A 34 8.787 -21.003 -2.022 1.00 0.00 H new ATOM 0 HA SER A 34 8.646 -23.568 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.403 -22.336 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.453 -24.060 -0.941 1.00 0.00 H new ATOM 0 HG SER A 34 9.261 -23.073 0.344 1.00 0.00 H new ATOM 564 N GLN A 35 6.292 -24.169 -3.723 1.00 0.00 N ATOM 565 CA GLN A 35 4.968 -24.693 -4.098 1.00 0.00 C ATOM 566 C GLN A 35 5.053 -26.244 -4.045 1.00 0.00 C ATOM 567 O GLN A 35 4.463 -26.963 -4.846 1.00 0.00 O ATOM 568 CB GLN A 35 4.651 -24.160 -5.512 1.00 0.00 C ATOM 569 CG GLN A 35 3.196 -24.348 -6.001 1.00 0.00 C ATOM 570 CD GLN A 35 2.374 -23.057 -6.066 1.00 0.00 C ATOM 571 OE1 GLN A 35 2.270 -22.385 -7.082 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.755 -22.645 -4.982 1.00 0.00 N ATOM 0 H GLN A 35 7.026 -24.846 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 35 4.169 -24.376 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.887 -23.096 -5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.317 -24.652 -6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.215 -24.801 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.692 -25.051 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.823 -23.185 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.206 -21.785 -5.004 1.00 0.00 H new ATOM 581 N GLU A 36 5.860 -26.760 -3.110 1.00 0.00 N ATOM 582 CA GLU A 36 6.380 -28.134 -3.057 1.00 0.00 C ATOM 583 C GLU A 36 6.561 -28.614 -1.605 1.00 0.00 C ATOM 584 O GLU A 36 6.484 -27.827 -0.668 1.00 0.00 O ATOM 585 CB GLU A 36 7.745 -28.080 -3.772 1.00 0.00 C ATOM 586 CG GLU A 36 8.349 -29.437 -4.157 1.00 0.00 C ATOM 587 CD GLU A 36 9.760 -29.247 -4.718 1.00 0.00 C ATOM 588 OE1 GLU A 36 9.945 -28.457 -5.669 1.00 0.00 O ATOM 589 OE2 GLU A 36 10.724 -29.748 -4.095 1.00 0.00 O ATOM 0 H GLU A 36 6.187 -26.198 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 36 5.690 -28.834 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.637 -27.481 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.452 -27.558 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.381 -30.090 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.718 -29.927 -4.898 1.00 0.00 H new ATOM 596 N VAL A 37 6.879 -29.897 -1.410 1.00 0.00 N ATOM 597 CA VAL A 37 7.275 -30.501 -0.120 1.00 0.00 C ATOM 598 C VAL A 37 8.457 -29.775 0.557 1.00 0.00 C ATOM 599 O VAL A 37 8.582 -29.840 1.775 1.00 0.00 O ATOM 600 CB VAL A 37 7.582 -32.004 -0.327 1.00 0.00 C ATOM 601 CG1 VAL A 37 7.992 -32.746 0.954 1.00 0.00 C ATOM 602 CG2 VAL A 37 6.365 -32.751 -0.899 1.00 0.00 C ATOM 0 H VAL A 37 6.869 -30.576 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 37 6.435 -30.390 0.565 1.00 0.00 H new ATOM 0 HB VAL A 37 8.423 -32.007 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.189 -33.792 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.892 -32.290 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.186 -32.683 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.614 -33.804 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.526 -32.661 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.092 -32.318 -1.861 1.00 0.00 H new ATOM 612 N LYS A 38 9.298 -29.037 -0.190 1.00 0.00 N ATOM 613 CA LYS A 38 10.349 -28.161 0.381 1.00 0.00 C ATOM 614 C LYS A 38 9.864 -26.794 0.915 1.00 0.00 C ATOM 615 O LYS A 38 10.681 -25.886 1.072 1.00 0.00 O ATOM 616 CB LYS A 38 11.573 -28.056 -0.551 1.00 0.00 C ATOM 617 CG LYS A 38 11.359 -27.253 -1.843 1.00 0.00 C ATOM 618 CD LYS A 38 12.702 -27.026 -2.561 1.00 0.00 C ATOM 619 CE LYS A 38 12.500 -26.588 -4.017 1.00 0.00 C ATOM 620 NZ LYS A 38 12.374 -27.761 -4.914 1.00 0.00 N ATOM 0 H LYS A 38 9.272 -29.028 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 38 10.672 -28.671 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.393 -27.602 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.890 -29.064 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.673 -27.786 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.897 -26.294 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.275 -26.267 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.288 -27.945 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.605 -25.970 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.341 -25.972 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.221 -27.832 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.280 -28.626 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.532 -27.650 -5.515 1.00 0.00 H new ATOM 634 N ASN A 39 8.562 -26.633 1.164 1.00 0.00 N ATOM 635 CA ASN A 39 7.980 -25.502 1.896 1.00 0.00 C ATOM 636 C ASN A 39 8.707 -25.345 3.252 1.00 0.00 C ATOM 637 O ASN A 39 8.553 -26.200 4.120 1.00 0.00 O ATOM 638 CB ASN A 39 6.478 -25.778 2.002 1.00 0.00 C ATOM 639 CG ASN A 39 5.705 -24.588 2.492 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.943 -23.452 2.119 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.669 -24.853 3.248 1.00 0.00 N ATOM 0 H ASN A 39 7.861 -27.306 0.853 1.00 0.00 H new ATOM 0 HA ASN A 39 8.109 -24.544 1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.097 -26.077 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.313 -26.617 2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.042 -24.102 3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.489 -25.811 3.549 1.00 0.00 H new ATOM 648 N ALA A 40 9.536 -24.311 3.427 1.00 0.00 N ATOM 649 CA ALA A 40 10.490 -24.234 4.545 1.00 0.00 C ATOM 650 C ALA A 40 10.051 -23.318 5.702 1.00 0.00 C ATOM 651 O ALA A 40 9.103 -22.556 5.564 1.00 0.00 O ATOM 652 CB ALA A 40 11.844 -23.809 3.960 1.00 0.00 C ATOM 0 H ALA A 40 9.567 -23.505 2.802 1.00 0.00 H new ATOM 0 HA ALA A 40 10.551 -25.217 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.581 -23.740 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.172 -24.547 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.742 -22.838 3.476 1.00 0.00 H new ATOM 658 N MET A 41 10.772 -23.387 6.829 1.00 0.00 N ATOM 659 CA MET A 41 10.586 -22.616 8.071 1.00 0.00 C ATOM 660 C MET A 41 10.449 -21.107 7.818 1.00 0.00 C ATOM 661 O MET A 41 11.426 -20.375 7.663 1.00 0.00 O ATOM 662 CB MET A 41 11.703 -22.911 9.089 1.00 0.00 C ATOM 663 CG MET A 41 11.872 -24.406 9.404 1.00 0.00 C ATOM 664 SD MET A 41 12.878 -25.359 8.219 1.00 0.00 S ATOM 665 CE MET A 41 14.534 -24.742 8.629 1.00 0.00 C ATOM 0 H MET A 41 11.560 -24.030 6.905 1.00 0.00 H new ATOM 0 HA MET A 41 9.641 -22.948 8.500 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.645 -22.521 8.704 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.490 -22.375 10.014 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.322 -24.501 10.392 1.00 0.00 H new ATOM 0 HG3 MET A 41 10.883 -24.860 9.459 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.283 -25.326 8.094 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.615 -23.695 8.338 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.701 -24.834 9.702 1.00 0.00 H new ATOM 675 N THR A 42 9.194 -20.697 7.708 1.00 0.00 N ATOM 676 CA THR A 42 8.664 -19.368 7.372 1.00 0.00 C ATOM 677 C THR A 42 7.278 -19.237 7.995 1.00 0.00 C ATOM 678 O THR A 42 6.745 -20.179 8.579 1.00 0.00 O ATOM 679 CB THR A 42 8.516 -19.168 5.840 1.00 0.00 C ATOM 680 OG1 THR A 42 7.879 -20.255 5.227 1.00 0.00 O ATOM 681 CG2 THR A 42 9.864 -18.972 5.157 1.00 0.00 C ATOM 0 H THR A 42 8.432 -21.355 7.868 1.00 0.00 H new ATOM 0 HA THR A 42 9.361 -18.621 7.751 1.00 0.00 H new ATOM 0 HB THR A 42 7.909 -18.271 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.506 -21.005 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.713 -18.836 4.086 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.356 -18.091 5.569 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.489 -19.849 5.327 1.00 0.00 H new ATOM 689 N GLU A 43 6.633 -18.096 7.782 1.00 0.00 N ATOM 690 CA GLU A 43 5.215 -17.858 8.066 1.00 0.00 C ATOM 691 C GLU A 43 4.246 -18.905 7.466 1.00 0.00 C ATOM 692 O GLU A 43 3.064 -18.852 7.773 1.00 0.00 O ATOM 693 CB GLU A 43 4.828 -16.445 7.591 1.00 0.00 C ATOM 694 CG GLU A 43 5.412 -16.038 6.227 1.00 0.00 C ATOM 695 CD GLU A 43 6.762 -15.327 6.389 1.00 0.00 C ATOM 696 OE1 GLU A 43 6.764 -14.108 6.654 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.786 -16.044 6.307 1.00 0.00 O ATOM 0 H GLU A 43 7.098 -17.276 7.391 1.00 0.00 H new ATOM 0 HA GLU A 43 5.106 -17.953 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.741 -16.380 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.155 -15.723 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.537 -16.923 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.712 -15.381 5.711 1.00 0.00 H new ATOM 704 N THR A 44 4.716 -19.814 6.603 1.00 0.00 N ATOM 705 CA THR A 44 4.070 -20.972 5.919 1.00 0.00 C ATOM 706 C THR A 44 3.238 -21.968 6.760 1.00 0.00 C ATOM 707 O THR A 44 3.365 -23.187 6.683 1.00 0.00 O ATOM 708 CB THR A 44 5.057 -21.631 4.948 1.00 0.00 C ATOM 709 OG1 THR A 44 4.333 -22.146 3.864 1.00 0.00 O ATOM 710 CG2 THR A 44 6.001 -22.703 5.496 1.00 0.00 C ATOM 0 H THR A 44 5.695 -19.757 6.321 1.00 0.00 H new ATOM 0 HA THR A 44 3.252 -20.520 5.358 1.00 0.00 H new ATOM 0 HB THR A 44 5.741 -20.828 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.393 -22.255 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.636 -23.074 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.623 -22.273 6.281 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.417 -23.527 5.906 1.00 0.00 H new ATOM 718 N LEU A 45 2.308 -21.466 7.569 1.00 0.00 N ATOM 719 CA LEU A 45 1.409 -22.256 8.438 1.00 0.00 C ATOM 720 C LEU A 45 0.507 -23.330 7.757 1.00 0.00 C ATOM 721 O LEU A 45 -0.362 -23.871 8.431 1.00 0.00 O ATOM 722 CB LEU A 45 0.601 -21.358 9.427 1.00 0.00 C ATOM 723 CG LEU A 45 0.578 -19.825 9.308 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.023 -19.279 8.002 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.229 -19.258 10.476 1.00 0.00 C ATOM 0 H LEU A 45 2.146 -20.462 7.648 1.00 0.00 H new ATOM 0 HA LEU A 45 2.115 -22.864 9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.435 -21.692 9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.964 -21.589 10.428 1.00 0.00 H new ATOM 0 HG LEU A 45 1.622 -19.512 9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.007 -18.189 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.554 -19.647 7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.057 -19.613 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.255 -18.171 10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.246 -19.648 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.238 -19.550 11.417 1.00 0.00 H new ATOM 737 N LEU A 46 0.633 -23.642 6.460 1.00 0.00 N ATOM 738 CA LEU A 46 -0.271 -24.529 5.705 1.00 0.00 C ATOM 739 C LEU A 46 0.247 -24.890 4.288 1.00 0.00 C ATOM 740 O LEU A 46 1.178 -24.269 3.780 1.00 0.00 O ATOM 741 CB LEU A 46 -1.709 -23.942 5.681 1.00 0.00 C ATOM 742 CG LEU A 46 -1.952 -22.423 5.476 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.420 -21.729 6.748 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.834 -21.584 4.850 1.00 0.00 C ATOM 0 H LEU A 46 1.391 -23.273 5.886 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.298 -25.480 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.252 -24.461 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.181 -24.216 6.625 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.736 -22.457 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.575 -20.669 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.356 -22.176 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.664 -21.845 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.157 -20.546 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.058 -21.642 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.606 -21.966 3.855 1.00 0.00 H new ATOM 756 N VAL A 47 -0.394 -25.885 3.640 1.00 0.00 N ATOM 757 CA VAL A 47 -0.102 -26.418 2.285 1.00 0.00 C ATOM 758 C VAL A 47 -1.390 -26.791 1.524 1.00 0.00 C ATOM 759 O VAL A 47 -2.261 -27.485 2.067 1.00 0.00 O ATOM 760 CB VAL A 47 0.750 -27.700 2.359 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.265 -28.070 0.970 1.00 0.00 C ATOM 762 CG2 VAL A 47 1.953 -27.562 3.278 1.00 0.00 C ATOM 0 H VAL A 47 -1.179 -26.371 4.073 1.00 0.00 H new ATOM 0 HA VAL A 47 0.431 -25.622 1.765 1.00 0.00 H new ATOM 0 HB VAL A 47 0.095 -28.474 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.866 -28.977 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.420 -28.241 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.877 -27.257 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.513 -28.497 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.595 -26.758 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.615 -27.331 4.288 1.00 0.00 H new ATOM 772 N GLN A 48 -1.537 -26.326 0.272 1.00 0.00 N ATOM 773 CA GLN A 48 -2.727 -26.562 -0.566 1.00 0.00 C ATOM 774 C GLN A 48 -3.058 -28.060 -0.672 1.00 0.00 C ATOM 775 O GLN A 48 -4.178 -28.474 -0.361 1.00 0.00 O ATOM 776 CB GLN A 48 -2.533 -25.938 -1.966 1.00 0.00 C ATOM 777 CG GLN A 48 -2.744 -24.416 -1.940 1.00 0.00 C ATOM 778 CD GLN A 48 -2.576 -23.747 -3.306 1.00 0.00 C ATOM 779 OE1 GLN A 48 -1.487 -23.698 -3.856 1.00 0.00 O ATOM 780 NE2 GLN A 48 -3.612 -23.195 -3.899 1.00 0.00 N ATOM 0 H GLN A 48 -0.822 -25.767 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.576 -26.077 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.530 -26.161 -2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.233 -26.391 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.744 -24.203 -1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.037 -23.972 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.530 -23.226 -3.455 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.498 -22.736 -4.803 1.00 0.00 H new ATOM 789 N ASN A 49 -2.034 -28.858 -1.006 1.00 0.00 N ATOM 790 CA ASN A 49 -2.076 -30.306 -1.202 1.00 0.00 C ATOM 791 C ASN A 49 -2.567 -31.143 -0.005 1.00 0.00 C ATOM 792 O ASN A 49 -2.874 -32.316 -0.191 1.00 0.00 O ATOM 793 CB ASN A 49 -0.694 -30.780 -1.711 1.00 0.00 C ATOM 794 CG ASN A 49 0.404 -30.968 -0.666 1.00 0.00 C ATOM 795 OD1 ASN A 49 0.217 -30.916 0.537 1.00 0.00 O ATOM 796 ND2 ASN A 49 1.608 -31.246 -1.104 1.00 0.00 N ATOM 0 H ASN A 49 -1.098 -28.482 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.850 -30.487 -1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.832 -31.728 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.340 -30.060 -2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.366 -31.414 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.787 -31.295 -2.107 1.00 0.00 H new ATOM 803 N ALA A 50 -2.630 -30.574 1.206 1.00 0.00 N ATOM 804 CA ALA A 50 -3.006 -31.329 2.393 1.00 0.00 C ATOM 805 C ALA A 50 -4.441 -31.892 2.319 1.00 0.00 C ATOM 806 O ALA A 50 -5.341 -31.306 1.707 1.00 0.00 O ATOM 807 CB ALA A 50 -2.714 -30.499 3.645 1.00 0.00 C ATOM 0 H ALA A 50 -2.424 -29.591 1.382 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.387 -32.225 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.996 -31.066 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.650 -30.266 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.287 -29.573 3.609 1.00 0.00 H new ATOM 813 N ASN A 51 -4.649 -32.988 3.035 1.00 0.00 N ATOM 814 CA ASN A 51 -5.798 -33.893 2.978 1.00 0.00 C ATOM 815 C ASN A 51 -6.737 -33.642 4.191 1.00 0.00 C ATOM 816 O ASN A 51 -6.415 -32.776 5.014 1.00 0.00 O ATOM 817 CB ASN A 51 -5.180 -35.315 2.902 1.00 0.00 C ATOM 818 CG ASN A 51 -4.691 -35.811 4.254 1.00 0.00 C ATOM 819 OD1 ASN A 51 -4.321 -35.022 5.109 1.00 0.00 O ATOM 820 ND2 ASN A 51 -4.703 -37.096 4.511 1.00 0.00 N ATOM 0 H ASN A 51 -3.966 -33.296 3.728 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.446 -33.740 2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.923 -36.010 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.348 -35.309 2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.403 -37.436 5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.012 -37.756 3.797 1.00 0.00 H new ATOM 827 N PRO A 52 -7.893 -34.329 4.340 1.00 0.00 N ATOM 828 CA PRO A 52 -8.820 -34.025 5.436 1.00 0.00 C ATOM 829 C PRO A 52 -8.217 -34.273 6.825 1.00 0.00 C ATOM 830 O PRO A 52 -8.587 -33.571 7.763 1.00 0.00 O ATOM 831 CB PRO A 52 -10.071 -34.871 5.188 1.00 0.00 C ATOM 832 CG PRO A 52 -9.564 -36.032 4.340 1.00 0.00 C ATOM 833 CD PRO A 52 -8.425 -35.418 3.528 1.00 0.00 C ATOM 0 HA PRO A 52 -9.059 -32.962 5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.509 -35.220 6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.842 -34.302 4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.214 -36.857 4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.348 -36.428 3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.654 -36.159 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.785 -35.049 2.568 1.00 0.00 H new ATOM 841 N ASP A 53 -7.263 -35.201 6.928 1.00 0.00 N ATOM 842 CA ASP A 53 -6.487 -35.513 8.135 1.00 0.00 C ATOM 843 C ASP A 53 -5.652 -34.308 8.619 1.00 0.00 C ATOM 844 O ASP A 53 -6.015 -33.664 9.601 1.00 0.00 O ATOM 845 CB ASP A 53 -5.630 -36.751 7.832 1.00 0.00 C ATOM 846 CG ASP A 53 -5.138 -37.420 9.108 1.00 0.00 C ATOM 847 OD1 ASP A 53 -5.973 -38.109 9.731 1.00 0.00 O ATOM 848 OD2 ASP A 53 -3.945 -37.236 9.427 1.00 0.00 O ATOM 0 H ASP A 53 -6.996 -35.785 6.135 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.158 -35.733 8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.213 -37.464 7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.776 -36.462 7.220 1.00 0.00 H new ATOM 853 N CYS A 54 -4.624 -33.882 7.870 1.00 0.00 N ATOM 854 CA CYS A 54 -3.845 -32.662 8.153 1.00 0.00 C ATOM 855 C CYS A 54 -4.740 -31.457 8.447 1.00 0.00 C ATOM 856 O CYS A 54 -4.559 -30.749 9.430 1.00 0.00 O ATOM 857 CB CYS A 54 -2.938 -32.364 6.946 1.00 0.00 C ATOM 858 SG CYS A 54 -2.078 -30.772 7.041 1.00 0.00 S ATOM 0 H CYS A 54 -4.304 -34.380 7.039 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.247 -32.838 9.047 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.198 -33.159 6.856 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.541 -32.385 6.038 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.941 -30.929 7.651 1.00 0.00 H new ATOM 864 N LYS A 55 -5.760 -31.238 7.623 1.00 0.00 N ATOM 865 CA LYS A 55 -6.730 -30.161 7.822 1.00 0.00 C ATOM 866 C LYS A 55 -7.410 -30.262 9.195 1.00 0.00 C ATOM 867 O LYS A 55 -7.308 -29.328 9.978 1.00 0.00 O ATOM 868 CB LYS A 55 -7.763 -30.209 6.701 1.00 0.00 C ATOM 869 CG LYS A 55 -7.472 -29.280 5.500 1.00 0.00 C ATOM 870 CD LYS A 55 -6.220 -29.514 4.620 1.00 0.00 C ATOM 871 CE LYS A 55 -6.251 -28.462 3.487 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.186 -28.628 2.462 1.00 0.00 N ATOM 0 H LYS A 55 -5.940 -31.804 6.794 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.206 -29.206 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.835 -31.234 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.737 -29.948 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.341 -29.319 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.410 -28.263 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.310 -29.414 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.223 -30.523 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.222 -28.506 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.162 -27.469 3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.483 -28.173 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.307 -28.186 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.022 -29.641 2.293 1.00 0.00 H new ATOM 886 N THR A 56 -8.103 -31.365 9.494 1.00 0.00 N ATOM 887 CA THR A 56 -8.855 -31.552 10.750 1.00 0.00 C ATOM 888 C THR A 56 -7.960 -31.577 11.993 1.00 0.00 C ATOM 889 O THR A 56 -8.432 -31.312 13.099 1.00 0.00 O ATOM 890 CB THR A 56 -9.767 -32.796 10.682 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.862 -32.635 11.547 1.00 0.00 O ATOM 892 CG2 THR A 56 -9.129 -34.134 11.053 1.00 0.00 C ATOM 0 H THR A 56 -8.162 -32.167 8.866 1.00 0.00 H new ATOM 0 HA THR A 56 -9.491 -30.673 10.856 1.00 0.00 H new ATOM 0 HB THR A 56 -10.034 -32.848 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.437 -33.427 11.498 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.871 -34.928 10.966 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.297 -34.340 10.380 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.763 -34.091 12.079 1.00 0.00 H new ATOM 900 N ILE A 57 -6.667 -31.860 11.811 1.00 0.00 N ATOM 901 CA ILE A 57 -5.700 -31.921 12.922 1.00 0.00 C ATOM 902 C ILE A 57 -5.202 -30.524 13.274 1.00 0.00 C ATOM 903 O ILE A 57 -5.446 -30.038 14.382 1.00 0.00 O ATOM 904 CB ILE A 57 -4.534 -32.876 12.591 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.052 -34.327 12.632 1.00 0.00 C ATOM 906 CG2 ILE A 57 -3.343 -32.723 13.566 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.125 -35.264 11.865 1.00 0.00 C ATOM 0 H ILE A 57 -6.258 -32.053 10.897 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.207 -32.324 13.799 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.167 -32.621 11.597 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.133 -34.658 13.667 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.053 -34.371 12.204 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.552 -33.419 13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.963 -31.703 13.518 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.674 -32.940 14.582 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.516 -36.281 11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.065 -34.945 10.824 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.131 -35.237 12.310 1.00 0.00 H new ATOM 919 N LEU A 58 -4.524 -29.845 12.345 1.00 0.00 N ATOM 920 CA LEU A 58 -3.935 -28.541 12.633 1.00 0.00 C ATOM 921 C LEU A 58 -4.981 -27.453 12.853 1.00 0.00 C ATOM 922 O LEU A 58 -4.683 -26.457 13.510 1.00 0.00 O ATOM 923 CB LEU A 58 -2.939 -28.174 11.552 1.00 0.00 C ATOM 924 CG LEU A 58 -1.774 -29.179 11.558 1.00 0.00 C ATOM 925 CD1 LEU A 58 -1.958 -30.335 10.596 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.512 -28.445 11.162 1.00 0.00 C ATOM 0 H LEU A 58 -4.371 -30.177 11.393 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.401 -28.618 13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.428 -28.175 10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.562 -27.165 11.718 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.725 -29.598 12.563 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.097 -31.000 10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.861 -30.886 10.858 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.049 -29.952 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.328 -29.140 11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.635 -28.021 10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.318 -27.644 11.875 1.00 0.00 H new ATOM 938 N LYS A 59 -6.215 -27.727 12.413 1.00 0.00 N ATOM 939 CA LYS A 59 -7.417 -26.958 12.804 1.00 0.00 C ATOM 940 C LYS A 59 -7.433 -26.617 14.304 1.00 0.00 C ATOM 941 O LYS A 59 -7.807 -25.517 14.689 1.00 0.00 O ATOM 942 CB LYS A 59 -8.694 -27.736 12.463 1.00 0.00 C ATOM 943 CG LYS A 59 -9.265 -27.453 11.065 1.00 0.00 C ATOM 944 CD LYS A 59 -10.312 -26.337 10.935 1.00 0.00 C ATOM 945 CE LYS A 59 -11.404 -26.303 12.022 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.406 -25.236 11.762 1.00 0.00 N ATOM 0 H LYS A 59 -6.416 -28.493 11.770 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.382 -26.027 12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.486 -28.803 12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.456 -27.501 13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.432 -27.210 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.709 -28.375 10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.794 -25.378 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.797 -26.433 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.905 -27.270 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.943 -26.140 12.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.627 -24.743 12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.019 -24.556 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.273 -25.661 11.377 1.00 0.00 H new ATOM 960 N ALA A 60 -6.999 -27.558 15.140 1.00 0.00 N ATOM 961 CA ALA A 60 -6.856 -27.380 16.588 1.00 0.00 C ATOM 962 C ALA A 60 -5.387 -27.294 17.043 1.00 0.00 C ATOM 963 O ALA A 60 -5.099 -26.807 18.136 1.00 0.00 O ATOM 964 CB ALA A 60 -7.587 -28.537 17.280 1.00 0.00 C ATOM 0 H ALA A 60 -6.730 -28.490 14.824 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.298 -26.424 16.869 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.497 -28.430 18.361 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.640 -28.521 17.000 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.144 -29.484 16.971 1.00 0.00 H new ATOM 970 N LEU A 61 -4.443 -27.728 16.203 1.00 0.00 N ATOM 971 CA LEU A 61 -3.032 -27.898 16.530 1.00 0.00 C ATOM 972 C LEU A 61 -2.131 -26.896 15.776 1.00 0.00 C ATOM 973 O LEU A 61 -1.116 -27.243 15.175 1.00 0.00 O ATOM 974 CB LEU A 61 -2.654 -29.385 16.379 1.00 0.00 C ATOM 975 CG LEU A 61 -2.125 -30.009 17.686 1.00 0.00 C ATOM 976 CD1 LEU A 61 -1.713 -31.457 17.427 1.00 0.00 C ATOM 977 CD2 LEU A 61 -0.945 -29.276 18.340 1.00 0.00 C ATOM 0 H LEU A 61 -4.654 -27.980 15.237 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.853 -27.642 17.574 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.528 -29.944 16.044 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.895 -29.484 15.603 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.953 -29.931 18.390 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.339 -31.899 18.350 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.576 -32.024 17.077 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.930 -31.483 16.669 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.652 -29.798 19.251 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.103 -29.253 17.649 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.241 -28.256 18.585 1.00 0.00 H new ATOM 989 N GLY A 62 -2.466 -25.607 15.885 1.00 0.00 N ATOM 990 CA GLY A 62 -1.647 -24.479 15.422 1.00 0.00 C ATOM 991 C GLY A 62 -0.974 -23.691 16.560 1.00 0.00 C ATOM 992 O GLY A 62 -1.221 -22.483 16.674 1.00 0.00 O ATOM 0 H GLY A 62 -3.343 -25.308 16.312 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.877 -24.854 14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.274 -23.800 14.844 1.00 0.00 H new ATOM 996 N PRO A 63 -0.136 -24.304 17.430 1.00 0.00 N ATOM 997 CA PRO A 63 0.456 -23.657 18.610 1.00 0.00 C ATOM 998 C PRO A 63 1.651 -22.742 18.291 1.00 0.00 C ATOM 999 O PRO A 63 2.506 -22.522 19.137 1.00 0.00 O ATOM 1000 CB PRO A 63 0.857 -24.825 19.525 1.00 0.00 C ATOM 1001 CG PRO A 63 1.343 -25.857 18.512 1.00 0.00 C ATOM 1002 CD PRO A 63 0.309 -25.694 17.399 1.00 0.00 C ATOM 0 HA PRO A 63 -0.257 -22.977 19.076 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.639 -24.543 20.230 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.016 -25.192 20.113 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.355 -25.648 18.166 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.348 -26.866 18.924 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.744 -25.938 16.430 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.531 -26.371 17.551 1.00 0.00 H new ATOM 1010 N ALA A 64 1.714 -22.227 17.061 1.00 0.00 N ATOM 1011 CA ALA A 64 2.824 -21.420 16.530 1.00 0.00 C ATOM 1012 C ALA A 64 4.244 -22.017 16.740 1.00 0.00 C ATOM 1013 O ALA A 64 5.203 -21.280 16.928 1.00 0.00 O ATOM 1014 CB ALA A 64 2.668 -19.977 17.042 1.00 0.00 C ATOM 0 H ALA A 64 0.968 -22.363 16.379 1.00 0.00 H new ATOM 0 HA ALA A 64 2.748 -21.427 15.443 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.483 -19.364 16.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.716 -19.570 16.700 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.694 -19.973 18.132 1.00 0.00 H new ATOM 1020 N ALA A 65 4.364 -23.349 16.695 1.00 0.00 N ATOM 1021 CA ALA A 65 5.628 -24.089 16.652 1.00 0.00 C ATOM 1022 C ALA A 65 5.434 -25.339 15.774 1.00 0.00 C ATOM 1023 O ALA A 65 5.183 -25.176 14.588 1.00 0.00 O ATOM 1024 CB ALA A 65 6.090 -24.376 18.092 1.00 0.00 C ATOM 0 H ALA A 65 3.550 -23.964 16.687 1.00 0.00 H new ATOM 0 HA ALA A 65 6.431 -23.514 16.192 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.030 -24.927 18.069 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.233 -23.435 18.623 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.334 -24.970 18.605 1.00 0.00 H new ATOM 1030 N THR A 66 5.393 -26.552 16.350 1.00 0.00 N ATOM 1031 CA THR A 66 5.338 -27.897 15.709 1.00 0.00 C ATOM 1032 C THR A 66 4.525 -28.039 14.414 1.00 0.00 C ATOM 1033 O THR A 66 4.827 -28.885 13.585 1.00 0.00 O ATOM 1034 CB THR A 66 4.814 -28.931 16.723 1.00 0.00 C ATOM 1035 OG1 THR A 66 5.451 -28.746 17.966 1.00 0.00 O ATOM 1036 CG2 THR A 66 5.053 -30.391 16.345 1.00 0.00 C ATOM 0 H THR A 66 5.397 -26.635 17.367 1.00 0.00 H new ATOM 0 HA THR A 66 6.371 -28.068 15.405 1.00 0.00 H new ATOM 0 HB THR A 66 3.738 -28.757 16.750 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.113 -29.405 18.608 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.648 -31.039 17.122 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.558 -30.607 15.398 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.123 -30.570 16.245 1.00 0.00 H new ATOM 1044 N LEU A 67 3.509 -27.211 14.187 1.00 0.00 N ATOM 1045 CA LEU A 67 2.830 -27.094 12.893 1.00 0.00 C ATOM 1046 C LEU A 67 3.820 -27.096 11.722 1.00 0.00 C ATOM 1047 O LEU A 67 3.600 -27.801 10.752 1.00 0.00 O ATOM 1048 CB LEU A 67 2.027 -25.796 12.938 1.00 0.00 C ATOM 1049 CG LEU A 67 0.998 -25.481 11.826 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.779 -23.973 11.834 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.428 -25.907 10.438 1.00 0.00 C ATOM 0 H LEU A 67 3.127 -26.593 14.903 1.00 0.00 H new ATOM 0 HA LEU A 67 2.179 -27.953 12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.493 -25.779 13.888 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.742 -24.974 12.960 1.00 0.00 H new ATOM 0 HG LEU A 67 0.093 -26.048 12.043 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.057 -23.706 11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.399 -23.666 12.808 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.724 -23.467 11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.649 -25.649 9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.352 -25.395 10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.593 -26.984 10.423 1.00 0.00 H new ATOM 1063 N GLU A 68 4.928 -26.370 11.820 1.00 0.00 N ATOM 1064 CA GLU A 68 5.998 -26.337 10.800 1.00 0.00 C ATOM 1065 C GLU A 68 6.397 -27.708 10.231 1.00 0.00 C ATOM 1066 O GLU A 68 6.779 -27.801 9.069 1.00 0.00 O ATOM 1067 CB GLU A 68 7.247 -25.649 11.369 1.00 0.00 C ATOM 1068 CG GLU A 68 6.920 -24.209 11.723 1.00 0.00 C ATOM 1069 CD GLU A 68 8.164 -23.426 12.172 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.998 -23.101 11.293 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.278 -23.194 13.397 1.00 0.00 O ATOM 0 H GLU A 68 5.122 -25.772 12.623 1.00 0.00 H new ATOM 0 HA GLU A 68 5.576 -25.774 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.596 -26.181 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.056 -25.680 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.475 -23.716 10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.175 -24.192 12.519 1.00 0.00 H new ATOM 1078 N GLU A 69 6.271 -28.769 11.027 1.00 0.00 N ATOM 1079 CA GLU A 69 6.329 -30.153 10.502 1.00 0.00 C ATOM 1080 C GLU A 69 4.969 -30.629 9.945 1.00 0.00 C ATOM 1081 O GLU A 69 4.857 -31.027 8.778 1.00 0.00 O ATOM 1082 CB GLU A 69 6.912 -31.170 11.510 1.00 0.00 C ATOM 1083 CG GLU A 69 6.183 -31.402 12.847 1.00 0.00 C ATOM 1084 CD GLU A 69 6.589 -32.732 13.503 1.00 0.00 C ATOM 1085 OE1 GLU A 69 6.147 -33.778 12.973 1.00 0.00 O ATOM 1086 OE2 GLU A 69 7.331 -32.681 14.511 1.00 0.00 O ATOM 0 H GLU A 69 6.128 -28.708 12.035 1.00 0.00 H new ATOM 0 HA GLU A 69 7.030 -30.112 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.982 -32.132 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.930 -30.857 11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.404 -30.580 13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.106 -31.395 12.678 1.00 0.00 H new ATOM 1093 N MET A 70 3.905 -30.521 10.753 1.00 0.00 N ATOM 1094 CA MET A 70 2.537 -31.029 10.493 1.00 0.00 C ATOM 1095 C MET A 70 1.884 -30.464 9.216 1.00 0.00 C ATOM 1096 O MET A 70 1.014 -31.094 8.607 1.00 0.00 O ATOM 1097 CB MET A 70 1.686 -30.775 11.737 1.00 0.00 C ATOM 1098 CG MET A 70 2.368 -31.116 13.045 1.00 0.00 C ATOM 1099 SD MET A 70 1.285 -31.329 14.480 1.00 0.00 S ATOM 1100 CE MET A 70 0.962 -29.594 14.847 1.00 0.00 C ATOM 0 H MET A 70 3.972 -30.052 11.657 1.00 0.00 H new ATOM 0 HA MET A 70 2.607 -32.099 10.296 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.397 -29.724 11.756 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.768 -31.357 11.658 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.936 -32.036 12.905 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.087 -30.328 13.272 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.208 -29.522 15.631 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.882 -29.116 15.183 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.600 -29.093 13.949 1.00 0.00 H new ATOM 1110 N MET A 71 2.387 -29.296 8.806 1.00 0.00 N ATOM 1111 CA MET A 71 2.219 -28.539 7.561 1.00 0.00 C ATOM 1112 C MET A 71 2.072 -29.482 6.361 1.00 0.00 C ATOM 1113 O MET A 71 1.071 -29.424 5.647 1.00 0.00 O ATOM 1114 CB MET A 71 3.446 -27.596 7.507 1.00 0.00 C ATOM 1115 CG MET A 71 3.754 -26.863 6.199 1.00 0.00 C ATOM 1116 SD MET A 71 4.786 -27.734 4.988 1.00 0.00 S ATOM 1117 CE MET A 71 6.383 -27.808 5.846 1.00 0.00 C ATOM 0 H MET A 71 3.012 -28.787 9.431 1.00 0.00 H new ATOM 0 HA MET A 71 1.303 -27.949 7.526 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.319 -26.844 8.285 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.326 -28.183 7.772 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.807 -26.614 5.720 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.244 -25.921 6.446 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.161 -28.103 5.142 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.620 -26.827 6.259 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.329 -28.538 6.654 1.00 0.00 H new ATOM 1127 N THR A 72 3.005 -30.428 6.244 1.00 0.00 N ATOM 1128 CA THR A 72 2.943 -31.592 5.344 1.00 0.00 C ATOM 1129 C THR A 72 2.903 -32.926 6.108 1.00 0.00 C ATOM 1130 O THR A 72 2.317 -33.892 5.615 1.00 0.00 O ATOM 1131 CB THR A 72 4.174 -31.645 4.424 1.00 0.00 C ATOM 1132 OG1 THR A 72 4.383 -30.461 3.684 1.00 0.00 O ATOM 1133 CG2 THR A 72 4.103 -32.733 3.347 1.00 0.00 C ATOM 0 H THR A 72 3.863 -30.408 6.795 1.00 0.00 H new ATOM 0 HA THR A 72 2.024 -31.467 4.771 1.00 0.00 H new ATOM 0 HB THR A 72 4.972 -31.831 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.248 -29.684 4.266 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.008 -32.704 2.741 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.015 -33.710 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.235 -32.560 2.711 1.00 0.00 H new ATOM 1141 N ALA A 73 3.512 -33.032 7.297 1.00 0.00 N ATOM 1142 CA ALA A 73 3.685 -34.313 8.003 1.00 0.00 C ATOM 1143 C ALA A 73 2.365 -35.011 8.385 1.00 0.00 C ATOM 1144 O ALA A 73 2.374 -36.210 8.646 1.00 0.00 O ATOM 1145 CB ALA A 73 4.605 -34.130 9.221 1.00 0.00 C ATOM 0 H ALA A 73 3.899 -32.233 7.798 1.00 0.00 H new ATOM 0 HA ALA A 73 4.160 -34.991 7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.724 -35.085 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.580 -33.772 8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.164 -33.404 9.904 1.00 0.00 H new ATOM 1151 N CYS A 74 1.231 -34.307 8.307 1.00 0.00 N ATOM 1152 CA CYS A 74 -0.091 -34.888 8.569 1.00 0.00 C ATOM 1153 C CYS A 74 -0.893 -35.158 7.286 1.00 0.00 C ATOM 1154 O CYS A 74 -2.078 -35.452 7.369 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.872 -34.011 9.557 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.016 -33.972 11.158 1.00 0.00 S ATOM 0 H CYS A 74 1.203 -33.318 8.060 1.00 0.00 H new ATOM 0 HA CYS A 74 0.069 -35.865 9.025 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.969 -33.000 9.162 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.882 -34.401 9.684 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.682 -33.226 11.988 1.00 0.00 H new ATOM 1162 N GLN A 75 -0.307 -35.028 6.090 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.973 -35.395 4.847 1.00 0.00 C ATOM 1164 C GLN A 75 -0.270 -36.587 4.186 1.00 0.00 C ATOM 1165 O GLN A 75 -0.927 -37.559 3.831 1.00 0.00 O ATOM 1166 CB GLN A 75 -1.142 -34.125 3.997 1.00 0.00 C ATOM 1167 CG GLN A 75 0.048 -33.703 3.131 1.00 0.00 C ATOM 1168 CD GLN A 75 0.055 -34.366 1.758 1.00 0.00 C ATOM 1169 OE1 GLN A 75 -0.423 -35.459 1.543 1.00 0.00 O ATOM 1170 NE2 GLN A 75 0.566 -33.707 0.752 1.00 0.00 N ATOM 0 H GLN A 75 0.638 -34.666 5.963 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.983 -35.772 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.003 -34.267 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.383 -33.299 4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.032 -32.620 3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.974 -33.949 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.975 -32.785 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.555 -34.115 -0.183 1.00 0.00 H new ATOM 1179 N GLY A 76 1.072 -36.609 4.192 1.00 0.00 N ATOM 1180 CA GLY A 76 1.872 -37.770 3.769 1.00 0.00 C ATOM 1181 C GLY A 76 1.784 -38.975 4.719 1.00 0.00 C ATOM 1182 O GLY A 76 2.309 -40.042 4.411 1.00 0.00 O ATOM 0 H GLY A 76 1.637 -35.815 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.546 -38.080 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.915 -37.466 3.681 1.00 0.00 H new ATOM 1186 N VAL A 77 1.122 -38.800 5.870 1.00 0.00 N ATOM 1187 CA VAL A 77 0.785 -39.841 6.858 1.00 0.00 C ATOM 1188 C VAL A 77 -0.200 -40.903 6.333 1.00 0.00 C ATOM 1189 O VAL A 77 -0.303 -41.981 6.914 1.00 0.00 O ATOM 1190 CB VAL A 77 0.232 -39.154 8.128 1.00 0.00 C ATOM 1191 CG1 VAL A 77 -1.180 -38.589 7.931 1.00 0.00 C ATOM 1192 CG2 VAL A 77 0.240 -40.053 9.366 1.00 0.00 C ATOM 0 H VAL A 77 0.788 -37.880 6.155 1.00 0.00 H new ATOM 0 HA VAL A 77 1.699 -40.390 7.084 1.00 0.00 H new ATOM 0 HB VAL A 77 0.924 -38.330 8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.516 -38.119 8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.167 -37.849 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.862 -39.397 7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.162 -39.503 10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.375 -40.934 9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.262 -40.363 9.584 1.00 0.00 H new ATOM 1202 N GLY A 78 -0.924 -40.628 5.240 1.00 0.00 N ATOM 1203 CA GLY A 78 -1.997 -41.495 4.751 1.00 0.00 C ATOM 1204 C GLY A 78 -2.400 -41.228 3.298 1.00 0.00 C ATOM 1205 O GLY A 78 -1.783 -40.434 2.591 1.00 0.00 O ATOM 0 H GLY A 78 -0.779 -39.794 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.682 -42.534 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.872 -41.368 5.389 1.00 0.00 H new ATOM 1209 N GLY A 79 -3.446 -41.919 2.834 1.00 0.00 N ATOM 1210 CA GLY A 79 -3.931 -41.795 1.455 1.00 0.00 C ATOM 1211 C GLY A 79 -4.779 -40.532 1.202 1.00 0.00 C ATOM 1212 O GLY A 79 -5.400 -40.010 2.131 1.00 0.00 O ATOM 0 H GLY A 79 -3.979 -42.578 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.076 -41.788 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.525 -42.675 1.209 1.00 0.00 H new ATOM 1216 N PRO A 80 -4.870 -40.052 -0.056 1.00 0.00 N ATOM 1217 CA PRO A 80 -5.637 -38.852 -0.416 1.00 0.00 C ATOM 1218 C PRO A 80 -7.144 -39.097 -0.627 1.00 0.00 C ATOM 1219 O PRO A 80 -7.911 -38.139 -0.699 1.00 0.00 O ATOM 1220 CB PRO A 80 -4.991 -38.368 -1.718 1.00 0.00 C ATOM 1221 CG PRO A 80 -4.558 -39.671 -2.392 1.00 0.00 C ATOM 1222 CD PRO A 80 -4.111 -40.528 -1.208 1.00 0.00 C ATOM 0 HA PRO A 80 -5.600 -38.128 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.695 -37.809 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.143 -37.711 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.377 -40.135 -2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.748 -39.509 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.307 -41.584 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.039 -40.428 -1.037 1.00 0.00 H new ATOM 1230 N GLY A 81 -7.581 -40.356 -0.753 1.00 0.00 N ATOM 1231 CA GLY A 81 -8.952 -40.706 -1.133 1.00 0.00 C ATOM 1232 C GLY A 81 -9.211 -40.442 -2.618 1.00 0.00 C ATOM 1233 O GLY A 81 -8.621 -41.090 -3.479 1.00 0.00 O ATOM 0 H GLY A 81 -6.985 -41.168 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.134 -41.758 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.655 -40.129 -0.532 1.00 0.00 H new ATOM 1237 N HIS A 82 -10.080 -39.476 -2.913 1.00 0.00 N ATOM 1238 CA HIS A 82 -10.446 -39.061 -4.272 1.00 0.00 C ATOM 1239 C HIS A 82 -10.872 -37.588 -4.301 1.00 0.00 C ATOM 1240 O HIS A 82 -11.030 -36.957 -3.254 1.00 0.00 O ATOM 1241 CB HIS A 82 -11.551 -39.984 -4.826 1.00 0.00 C ATOM 1242 CG HIS A 82 -12.914 -39.933 -4.164 1.00 0.00 C ATOM 1243 ND1 HIS A 82 -14.016 -40.654 -4.619 1.00 0.00 N ATOM 1244 CD2 HIS A 82 -13.293 -39.214 -3.064 1.00 0.00 C ATOM 1245 CE1 HIS A 82 -15.024 -40.374 -3.784 1.00 0.00 C ATOM 1246 NE2 HIS A 82 -14.621 -39.508 -2.841 1.00 0.00 N ATOM 0 H HIS A 82 -10.565 -38.942 -2.192 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.571 -39.154 -4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.683 -39.751 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.189 -41.011 -4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -12.673 -38.547 -2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -16.020 -40.786 -3.858 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -15.198 -39.132 -2.089 1.00 0.00 H new ATOM 1254 N LYS A 83 -11.084 -37.025 -5.495 1.00 0.00 N ATOM 1255 CA LYS A 83 -11.547 -35.646 -5.669 1.00 0.00 C ATOM 1256 C LYS A 83 -12.335 -35.482 -6.971 1.00 0.00 C ATOM 1257 O LYS A 83 -11.760 -35.557 -8.054 1.00 0.00 O ATOM 1258 CB LYS A 83 -10.307 -34.739 -5.642 1.00 0.00 C ATOM 1259 CG LYS A 83 -10.654 -33.261 -5.878 1.00 0.00 C ATOM 1260 CD LYS A 83 -9.408 -32.362 -5.873 1.00 0.00 C ATOM 1261 CE LYS A 83 -8.893 -32.035 -4.466 1.00 0.00 C ATOM 1262 NZ LYS A 83 -9.793 -31.076 -3.779 1.00 0.00 N ATOM 0 H LYS A 83 -10.937 -37.519 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.231 -35.372 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.806 -34.842 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.602 -35.070 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.169 -33.159 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.345 -32.924 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.614 -32.852 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.639 -31.432 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.817 -32.951 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.889 -31.615 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.356 -30.767 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.953 -30.250 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.703 -31.538 -3.576 1.00 0.00 H new ATOM 1276 N ALA A 84 -13.637 -35.221 -6.860 1.00 0.00 N ATOM 1277 CA ALA A 84 -14.445 -34.793 -8.000 1.00 0.00 C ATOM 1278 C ALA A 84 -13.956 -33.419 -8.511 1.00 0.00 C ATOM 1279 O ALA A 84 -13.661 -32.527 -7.712 1.00 0.00 O ATOM 1280 CB ALA A 84 -15.916 -34.747 -7.567 1.00 0.00 C ATOM 0 H ALA A 84 -14.157 -35.299 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.344 -35.499 -8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.533 -34.429 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -16.230 -35.738 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.031 -34.041 -6.745 1.00 0.00 H new ATOM 1286 N ARG A 85 -13.870 -33.258 -9.836 1.00 0.00 N ATOM 1287 CA ARG A 85 -13.514 -32.018 -10.551 1.00 0.00 C ATOM 1288 C ARG A 85 -13.993 -32.121 -12.011 1.00 0.00 C ATOM 1289 O ARG A 85 -14.324 -33.222 -12.443 1.00 0.00 O ATOM 1290 CB ARG A 85 -11.996 -31.731 -10.390 1.00 0.00 C ATOM 1291 CG ARG A 85 -10.987 -32.818 -10.832 1.00 0.00 C ATOM 1292 CD ARG A 85 -10.814 -32.804 -12.350 1.00 0.00 C ATOM 1293 NE ARG A 85 -9.790 -33.722 -12.882 1.00 0.00 N ATOM 1294 CZ ARG A 85 -9.419 -33.691 -14.157 1.00 0.00 C ATOM 1295 NH1 ARG A 85 -9.581 -32.646 -14.911 1.00 0.00 N ATOM 1296 NH2 ARG A 85 -8.949 -34.746 -14.748 1.00 0.00 N ATOM 0 H ARG A 85 -14.056 -34.029 -10.477 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.022 -31.154 -10.121 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.770 -30.822 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.810 -31.514 -9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.025 -32.647 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -11.336 -33.799 -10.509 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.771 -33.050 -12.809 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.563 -31.790 -12.660 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.355 -34.398 -12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.009 -31.803 -14.529 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.280 -32.669 -15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.858 -35.622 -14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.670 -34.700 -15.728 1.00 0.00 H new ATOM 1310 N VAL A 86 -14.041 -31.015 -12.761 1.00 0.00 N ATOM 1311 CA VAL A 86 -14.360 -31.037 -14.209 1.00 0.00 C ATOM 1312 C VAL A 86 -13.301 -31.828 -14.995 1.00 0.00 C ATOM 1313 O VAL A 86 -12.125 -31.690 -14.674 1.00 0.00 O ATOM 1314 CB VAL A 86 -14.549 -29.606 -14.753 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -13.287 -28.735 -14.702 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -15.092 -29.613 -16.186 1.00 0.00 C ATOM 0 H VAL A 86 -13.862 -30.081 -12.393 1.00 0.00 H new ATOM 0 HA VAL A 86 -15.308 -31.557 -14.346 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.276 -29.157 -14.077 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.511 -27.747 -15.104 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.952 -28.640 -13.669 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.500 -29.199 -15.297 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.212 -28.587 -16.535 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.393 -30.138 -16.837 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -16.058 -30.118 -16.207 1.00 0.00 H new ATOM 1326 N LEU A 87 -13.749 -32.644 -15.964 1.00 0.00 N ATOM 1327 CA LEU A 87 -13.039 -33.689 -16.742 1.00 0.00 C ATOM 1328 C LEU A 87 -11.520 -33.540 -16.949 1.00 0.00 C ATOM 1329 O LEU A 87 -10.812 -34.538 -16.685 1.00 0.00 O ATOM 1330 CB LEU A 87 -13.827 -33.911 -18.055 1.00 0.00 C ATOM 1331 CG LEU A 87 -13.381 -35.141 -18.874 1.00 0.00 C ATOM 1332 CD1 LEU A 87 -14.570 -35.674 -19.676 1.00 0.00 C ATOM 1333 CD2 LEU A 87 -12.276 -34.819 -19.882 1.00 0.00 C ATOM 1334 OXT LEU A 87 -11.035 -32.453 -17.317 1.00 0.00 O ATOM 0 H LEU A 87 -14.724 -32.586 -16.258 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.037 -34.583 -16.118 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.885 -34.016 -17.815 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.728 -33.022 -18.677 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.002 -35.867 -18.155 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.258 -36.543 -20.255 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.370 -35.961 -18.993 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.931 -34.898 -20.351 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.006 -35.724 -20.427 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.632 -34.065 -20.584 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.402 -34.438 -19.354 1.00 0.00 H new TER 1346 LEU A 87