USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 673 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 5 THR OG1 : rot 180:sc= -0.0018 USER MOD Set 1.2: A 92 GLN : amide:sc=-0.000466 X(o=-0.0023,f=0.037) USER MOD Set 2.1: A 4 SER OG : rot 121:sc= 0.598 USER MOD Set 2.2: A 71 GLN : amide:sc= -1.77! C(o=-1.2!,f=-0.66!) USER MOD Set 3.1: A 44 SER OG : rot -90:sc= -0.309 USER MOD Set 3.2: A 69 HIS : no HE2:sc= -0.254 K(o=-0.66,f=-4!) USER MOD Set 3.3: A 70 MET CE :methyl -103:sc= -0.0934 (180deg=-1.54!) USER MOD Set 4.1: A 51 HIS : no HD1:sc= -4.72! C(o=-7.5!,f=-8.1!) USER MOD Set 4.2: A 54 HIS : no HD1:sc= -2.82 K(o=-7.5,f=-8.8) USER MOD Set 5.1: A 10 THR OG1 : rot -70:sc= -2.11 USER MOD Set 5.2: A 81 MET CE :methyl -121:sc= -6.58 (180deg=-10.8!) USER MOD Set 6.1: A 6 SER OG : rot 45:sc= -1.37 USER MOD Set 6.2: A 57 MET CE :methyl -127:sc= -5.75 (180deg=-8.68!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -1.23 (180deg=-1.23) USER MOD Single : A 7 HIS : no HE2:sc= -2.43! K(o=-2.4!,f=-1.1) USER MOD Single : A 12 SER OG : rot -55:sc= 1.13 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.13! C(o=-4.1!,f=-5.3!) USER MOD Single : A 21 CYS SG : rot -50:sc= -3.83! USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -3.07! (180deg=-3.97!) USER MOD Single : A 23 HIS : no HE2:sc= -2.02! C(o=-2!,f=-3.8!) USER MOD Single : A 26 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0.115 (180deg=0.0523) USER MOD Single : A 33 THR OG1 : rot 31:sc= 0.401 USER MOD Single : A 45 ASN : amide:sc= -6.34! C(o=-6.3!,f=-8!) USER MOD Single : A 46 CYS SG : rot 180:sc= -2.57! USER MOD Single : A 60 ASN : amide:sc= -2.08 K(o=-2.1,f=-9.8!) USER MOD Single : A 61 SER OG : rot -150:sc= -5.41! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.44 X(o=-3.4,f=-3.9!) USER MOD Single : A 79 GLN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.498 15.251 -5.794 1.00 0.00 N ATOM 2 CA MET A 1 6.992 14.316 -4.754 1.00 0.00 C ATOM 3 C MET A 1 5.555 14.643 -4.361 1.00 0.00 C ATOM 4 O MET A 1 5.296 15.459 -3.477 1.00 0.00 O ATOM 5 CB MET A 1 7.924 14.373 -3.541 1.00 0.00 C ATOM 6 CG MET A 1 7.941 15.719 -2.836 1.00 0.00 C ATOM 7 SD MET A 1 9.443 16.661 -3.168 1.00 0.00 S ATOM 8 CE MET A 1 10.380 16.341 -1.675 1.00 0.00 C ATOM 0 H1 MET A 1 8.483 15.012 -6.026 1.00 0.00 H new ATOM 0 H2 MET A 1 6.911 15.170 -6.649 1.00 0.00 H new ATOM 0 H3 MET A 1 7.454 16.226 -5.435 1.00 0.00 H new ATOM 0 HA MET A 1 6.984 13.303 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.623 13.605 -2.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.937 14.130 -3.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.075 16.301 -3.152 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.845 15.563 -1.762 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.338 16.858 -1.729 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.822 16.701 -0.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.551 15.269 -1.575 1.00 0.00 H new ATOM 17 N PHE A 2 4.628 13.978 -5.029 1.00 0.00 N ATOM 18 CA PHE A 2 3.201 14.158 -4.773 1.00 0.00 C ATOM 19 C PHE A 2 2.722 13.057 -3.833 1.00 0.00 C ATOM 20 O PHE A 2 3.467 12.115 -3.562 1.00 0.00 O ATOM 21 CB PHE A 2 2.405 14.135 -6.087 1.00 0.00 C ATOM 22 CG PHE A 2 3.218 14.482 -7.303 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.732 15.759 -7.466 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.457 13.536 -8.287 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.472 16.085 -8.587 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.194 13.858 -9.409 1.00 0.00 C ATOM 27 CZ PHE A 2 4.703 15.132 -9.560 1.00 0.00 C ATOM 0 H PHE A 2 4.837 13.300 -5.762 1.00 0.00 H new ATOM 0 HA PHE A 2 3.038 15.129 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.975 13.142 -6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.573 14.835 -6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.552 16.508 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.063 12.537 -8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.869 17.083 -8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.372 13.112 -10.169 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.281 15.383 -10.437 1.00 0.00 H new ATOM 37 N ARG A 3 1.494 13.157 -3.323 1.00 0.00 N ATOM 38 CA ARG A 3 1.003 12.125 -2.413 1.00 0.00 C ATOM 39 C ARG A 3 -0.513 11.925 -2.505 1.00 0.00 C ATOM 40 O ARG A 3 -1.290 12.861 -2.325 1.00 0.00 O ATOM 41 CB ARG A 3 1.410 12.432 -0.963 1.00 0.00 C ATOM 42 CG ARG A 3 2.188 11.299 -0.316 1.00 0.00 C ATOM 43 CD ARG A 3 3.669 11.623 -0.194 1.00 0.00 C ATOM 44 NE ARG A 3 4.117 11.605 1.197 1.00 0.00 N ATOM 45 CZ ARG A 3 3.954 12.620 2.043 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.351 13.735 1.647 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.393 12.519 3.291 1.00 0.00 N ATOM 0 H ARG A 3 0.840 13.916 -3.516 1.00 0.00 H new ATOM 0 HA ARG A 3 1.471 11.192 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.015 13.339 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.515 12.634 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.778 11.096 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.063 10.390 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.247 10.902 -0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.863 12.605 -0.625 1.00 0.00 H new ATOM 0 HE ARG A 3 4.582 10.765 1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.009 13.818 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.229 14.509 2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.855 11.664 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.269 13.296 3.940 1.00 0.00 H new ATOM 61 N SER A 4 -0.908 10.676 -2.758 1.00 0.00 N ATOM 62 CA SER A 4 -2.312 10.285 -2.854 1.00 0.00 C ATOM 63 C SER A 4 -2.634 9.314 -1.727 1.00 0.00 C ATOM 64 O SER A 4 -1.725 8.745 -1.123 1.00 0.00 O ATOM 65 CB SER A 4 -2.593 9.619 -4.207 1.00 0.00 C ATOM 66 OG SER A 4 -3.610 8.637 -4.096 1.00 0.00 O ATOM 0 H SER A 4 -0.257 9.904 -2.903 1.00 0.00 H new ATOM 0 HA SER A 4 -2.938 11.174 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.893 10.376 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.680 9.159 -4.585 1.00 0.00 H new ATOM 0 HG SER A 4 -4.355 8.869 -4.689 1.00 0.00 H new ATOM 72 N THR A 5 -3.915 9.114 -1.440 1.00 0.00 N ATOM 73 CA THR A 5 -4.287 8.192 -0.376 1.00 0.00 C ATOM 74 C THR A 5 -5.589 7.452 -0.672 1.00 0.00 C ATOM 75 O THR A 5 -6.617 8.068 -0.951 1.00 0.00 O ATOM 76 CB THR A 5 -4.400 8.925 0.968 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.555 9.744 0.994 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.209 9.808 1.305 1.00 0.00 C ATOM 0 H THR A 5 -4.696 9.566 -1.916 1.00 0.00 H new ATOM 0 HA THR A 5 -3.491 7.450 -0.318 1.00 0.00 H new ATOM 0 HB THR A 5 -4.448 8.129 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.612 10.202 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.373 10.287 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.306 9.199 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.093 10.572 0.536 1.00 0.00 H new ATOM 86 N SER A 6 -5.535 6.123 -0.586 1.00 0.00 N ATOM 87 CA SER A 6 -6.712 5.289 -0.821 1.00 0.00 C ATOM 88 C SER A 6 -7.191 4.648 0.485 1.00 0.00 C ATOM 89 O SER A 6 -6.391 4.117 1.254 1.00 0.00 O ATOM 90 CB SER A 6 -6.404 4.199 -1.851 1.00 0.00 C ATOM 91 OG SER A 6 -7.590 3.554 -2.279 1.00 0.00 O ATOM 0 H SER A 6 -4.689 5.602 -0.355 1.00 0.00 H new ATOM 0 HA SER A 6 -7.504 5.928 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.895 4.638 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.724 3.466 -1.417 1.00 0.00 H new ATOM 0 HG SER A 6 -8.278 4.226 -2.468 1.00 0.00 H new ATOM 97 N HIS A 7 -8.501 4.702 0.730 1.00 0.00 N ATOM 98 CA HIS A 7 -9.082 4.125 1.949 1.00 0.00 C ATOM 99 C HIS A 7 -10.055 2.991 1.615 1.00 0.00 C ATOM 100 O HIS A 7 -10.921 3.142 0.752 1.00 0.00 O ATOM 101 CB HIS A 7 -9.799 5.207 2.763 1.00 0.00 C ATOM 102 CG HIS A 7 -10.385 4.707 4.049 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.181 5.330 5.262 1.00 0.00 N ATOM 104 CD2 HIS A 7 -11.176 3.637 4.308 1.00 0.00 C ATOM 105 CE1 HIS A 7 -10.818 4.666 6.210 1.00 0.00 C ATOM 106 NE2 HIS A 7 -11.430 3.635 5.657 1.00 0.00 N ATOM 0 H HIS A 7 -9.180 5.137 0.105 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.267 3.712 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.095 6.010 2.983 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.594 5.638 2.155 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -9.625 6.173 5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.539 2.919 3.587 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.835 4.923 7.259 1.00 0.00 H new ATOM 115 N VAL A 8 -9.904 1.854 2.298 1.00 0.00 N ATOM 116 CA VAL A 8 -10.767 0.695 2.065 1.00 0.00 C ATOM 117 C VAL A 8 -11.121 -0.001 3.376 1.00 0.00 C ATOM 118 O VAL A 8 -10.354 0.055 4.337 1.00 0.00 O ATOM 119 CB VAL A 8 -10.095 -0.333 1.129 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.139 -1.160 0.391 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.161 0.357 0.144 1.00 0.00 C ATOM 0 H VAL A 8 -9.193 1.712 3.016 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.674 1.073 1.593 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.500 -1.008 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.641 -1.877 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.756 -1.695 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.769 -0.501 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.700 -0.389 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.729 1.063 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.385 0.891 0.692 1.00 0.00 H new ATOM 131 N ARG A 9 -12.266 -0.686 3.412 1.00 0.00 N ATOM 132 CA ARG A 9 -12.653 -1.411 4.624 1.00 0.00 C ATOM 133 C ARG A 9 -12.312 -2.894 4.476 1.00 0.00 C ATOM 134 O ARG A 9 -12.984 -3.628 3.751 1.00 0.00 O ATOM 135 CB ARG A 9 -14.151 -1.242 4.922 1.00 0.00 C ATOM 136 CG ARG A 9 -14.449 -0.096 5.874 1.00 0.00 C ATOM 137 CD ARG A 9 -14.172 1.252 5.230 1.00 0.00 C ATOM 138 NE ARG A 9 -14.970 2.320 5.826 1.00 0.00 N ATOM 139 CZ ARG A 9 -16.262 2.513 5.568 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.904 1.711 4.726 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.914 3.507 6.154 1.00 0.00 N ATOM 0 H ARG A 9 -12.926 -0.754 2.638 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.094 -0.993 5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.684 -1.075 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.536 -2.168 5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.492 -0.143 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.842 -0.202 6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.113 1.491 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.385 1.194 4.163 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.511 2.956 6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.407 0.943 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.894 1.863 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.426 4.124 6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.904 3.655 5.956 1.00 0.00 H new ATOM 155 N THR A 10 -11.256 -3.324 5.166 1.00 0.00 N ATOM 156 CA THR A 10 -10.807 -4.716 5.116 1.00 0.00 C ATOM 157 C THR A 10 -10.592 -5.295 6.519 1.00 0.00 C ATOM 158 O THR A 10 -10.352 -4.554 7.464 1.00 0.00 O ATOM 159 CB THR A 10 -9.530 -4.823 4.280 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.676 -5.805 3.271 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.307 -5.177 5.088 1.00 0.00 C ATOM 0 H THR A 10 -10.693 -2.725 5.769 1.00 0.00 H new ATOM 0 HA THR A 10 -11.591 -5.307 4.643 1.00 0.00 H new ATOM 0 HB THR A 10 -9.384 -3.831 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.697 -6.695 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.440 -5.235 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.137 -4.411 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.459 -6.141 5.574 1.00 0.00 H new ATOM 169 N GLU A 11 -10.650 -6.619 6.645 1.00 0.00 N ATOM 170 CA GLU A 11 -10.434 -7.270 7.939 1.00 0.00 C ATOM 171 C GLU A 11 -9.054 -7.945 8.008 1.00 0.00 C ATOM 172 O GLU A 11 -8.557 -8.461 7.007 1.00 0.00 O ATOM 173 CB GLU A 11 -11.534 -8.298 8.194 1.00 0.00 C ATOM 174 CG GLU A 11 -12.369 -7.984 9.421 1.00 0.00 C ATOM 175 CD GLU A 11 -13.859 -8.013 9.137 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.358 -9.069 8.696 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.526 -6.980 9.358 1.00 0.00 O ATOM 0 H GLU A 11 -10.843 -7.259 5.875 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.468 -6.502 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.186 -8.348 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.082 -9.283 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.139 -8.704 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.094 -7.000 9.800 1.00 0.00 H new ATOM 184 N SER A 12 -8.442 -7.941 9.201 1.00 0.00 N ATOM 185 CA SER A 12 -7.128 -8.554 9.402 1.00 0.00 C ATOM 186 C SER A 12 -6.074 -7.918 8.500 1.00 0.00 C ATOM 187 O SER A 12 -5.074 -8.545 8.147 1.00 0.00 O ATOM 188 CB SER A 12 -7.205 -10.059 9.156 1.00 0.00 C ATOM 189 OG SER A 12 -5.913 -10.639 9.108 1.00 0.00 O ATOM 0 H SER A 12 -8.839 -7.519 10.040 1.00 0.00 H new ATOM 0 HA SER A 12 -6.829 -8.380 10.436 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.788 -10.530 9.947 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.727 -10.250 8.218 1.00 0.00 H new ATOM 0 HG SER A 12 -5.373 -10.180 8.431 1.00 0.00 H new ATOM 195 N ALA A 13 -6.315 -6.670 8.136 1.00 0.00 N ATOM 196 CA ALA A 13 -5.403 -5.913 7.269 1.00 0.00 C ATOM 197 C ALA A 13 -3.951 -5.944 7.739 1.00 0.00 C ATOM 198 O ALA A 13 -3.043 -6.243 6.962 1.00 0.00 O ATOM 199 CB ALA A 13 -5.855 -4.469 7.182 1.00 0.00 C ATOM 0 H ALA A 13 -7.141 -6.148 8.427 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.440 -6.397 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.174 -3.913 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.862 -4.427 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.854 -4.027 8.178 1.00 0.00 H new ATOM 205 N ALA A 14 -3.733 -5.574 8.994 1.00 0.00 N ATOM 206 CA ALA A 14 -2.379 -5.492 9.561 1.00 0.00 C ATOM 207 C ALA A 14 -1.465 -6.655 9.159 1.00 0.00 C ATOM 208 O ALA A 14 -0.245 -6.499 9.135 1.00 0.00 O ATOM 209 CB ALA A 14 -2.468 -5.377 11.072 1.00 0.00 C ATOM 0 H ALA A 14 -4.475 -5.323 9.647 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.916 -4.599 9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.464 -5.316 11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.027 -4.479 11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.977 -6.253 11.474 1.00 0.00 H new ATOM 215 N ARG A 15 -2.036 -7.811 8.852 1.00 0.00 N ATOM 216 CA ARG A 15 -1.232 -8.972 8.467 1.00 0.00 C ATOM 217 C ARG A 15 -0.817 -8.919 7.004 1.00 0.00 C ATOM 218 O ARG A 15 0.301 -9.298 6.655 1.00 0.00 O ATOM 219 CB ARG A 15 -2.007 -10.264 8.727 1.00 0.00 C ATOM 220 CG ARG A 15 -1.149 -11.520 8.895 1.00 0.00 C ATOM 221 CD ARG A 15 0.266 -11.384 8.329 1.00 0.00 C ATOM 222 NE ARG A 15 1.165 -12.392 8.888 1.00 0.00 N ATOM 223 CZ ARG A 15 1.933 -12.196 9.959 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.909 -11.035 10.604 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.724 -13.168 10.392 1.00 0.00 N ATOM 0 H ARG A 15 -3.043 -7.974 8.860 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.328 -8.952 9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.609 -10.132 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.700 -10.425 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.084 -11.765 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.647 -12.357 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.236 -11.483 7.244 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.653 -10.389 8.548 1.00 0.00 H new ATOM 0 HE ARG A 15 1.207 -13.302 8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.299 -10.284 10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.501 -10.894 11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.744 -14.064 9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.313 -13.020 11.212 1.00 0.00 H new ATOM 239 N TYR A 16 -1.711 -8.456 6.146 1.00 0.00 N ATOM 240 CA TYR A 16 -1.401 -8.380 4.723 1.00 0.00 C ATOM 241 C TYR A 16 -0.315 -7.340 4.476 1.00 0.00 C ATOM 242 O TYR A 16 0.414 -7.433 3.494 1.00 0.00 O ATOM 243 CB TYR A 16 -2.651 -8.082 3.885 1.00 0.00 C ATOM 244 CG TYR A 16 -3.809 -9.061 4.073 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.619 -10.374 4.526 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.111 -8.658 3.800 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.690 -11.232 4.693 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.182 -9.513 3.971 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.966 -10.798 4.417 1.00 0.00 C ATOM 250 OH TYR A 16 -7.033 -11.651 4.587 1.00 0.00 O ATOM 0 H TYR A 16 -2.644 -8.131 6.401 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.029 -9.355 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.001 -7.079 4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.370 -8.075 2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.620 -10.721 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.289 -7.653 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.525 -12.242 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.185 -9.175 3.756 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.863 -11.188 4.349 1.00 0.00 H new ATOM 260 N VAL A 17 -0.179 -6.373 5.386 1.00 0.00 N ATOM 261 CA VAL A 17 0.863 -5.357 5.259 1.00 0.00 C ATOM 262 C VAL A 17 2.189 -5.920 5.764 1.00 0.00 C ATOM 263 O VAL A 17 3.228 -5.763 5.124 1.00 0.00 O ATOM 264 CB VAL A 17 0.530 -4.066 6.054 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.778 -3.238 6.325 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.480 -3.208 5.322 1.00 0.00 C ATOM 0 H VAL A 17 -0.772 -6.274 6.210 1.00 0.00 H new ATOM 0 HA VAL A 17 0.930 -5.093 4.204 1.00 0.00 H new ATOM 0 HB VAL A 17 0.103 -4.390 7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.506 -2.342 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.486 -3.827 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.237 -2.951 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.689 -2.313 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.077 -2.920 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.402 -3.772 5.180 1.00 0.00 H new ATOM 276 N ASN A 18 2.140 -6.567 6.926 1.00 0.00 N ATOM 277 CA ASN A 18 3.332 -7.143 7.534 1.00 0.00 C ATOM 278 C ASN A 18 3.862 -8.331 6.735 1.00 0.00 C ATOM 279 O ASN A 18 5.048 -8.649 6.801 1.00 0.00 O ATOM 280 CB ASN A 18 3.026 -7.583 8.967 1.00 0.00 C ATOM 281 CG ASN A 18 2.415 -6.469 9.796 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.435 -5.304 9.400 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.869 -6.825 10.953 1.00 0.00 N ATOM 0 H ASN A 18 1.285 -6.705 7.465 1.00 0.00 H new ATOM 0 HA ASN A 18 4.103 -6.373 7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.343 -8.432 8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.945 -7.925 9.443 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.443 -6.120 11.554 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.876 -7.804 11.240 1.00 0.00 H new ATOM 290 N ARG A 19 2.982 -9.004 6.002 1.00 0.00 N ATOM 291 CA ARG A 19 3.376 -10.167 5.224 1.00 0.00 C ATOM 292 C ARG A 19 4.040 -9.792 3.897 1.00 0.00 C ATOM 293 O ARG A 19 4.711 -10.619 3.285 1.00 0.00 O ATOM 294 CB ARG A 19 2.156 -11.054 4.972 1.00 0.00 C ATOM 295 CG ARG A 19 2.501 -12.520 4.821 1.00 0.00 C ATOM 296 CD ARG A 19 1.890 -13.368 5.926 1.00 0.00 C ATOM 297 NE ARG A 19 0.429 -13.353 5.887 1.00 0.00 N ATOM 298 CZ ARG A 19 -0.339 -14.223 6.538 1.00 0.00 C ATOM 299 NH1 ARG A 19 0.210 -15.175 7.282 1.00 0.00 N ATOM 300 NH2 ARG A 19 -1.659 -14.139 6.448 1.00 0.00 N ATOM 0 H ARG A 19 1.993 -8.763 5.932 1.00 0.00 H new ATOM 0 HA ARG A 19 4.120 -10.712 5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.454 -10.937 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.648 -10.713 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.148 -12.877 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.584 -12.640 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.244 -14.395 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.230 -13.001 6.894 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.029 -12.633 5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.225 -15.242 7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.383 -15.839 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.086 -13.407 5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.248 -14.806 6.947 1.00 0.00 H new ATOM 314 N LEU A 20 3.848 -8.559 3.446 1.00 0.00 N ATOM 315 CA LEU A 20 4.429 -8.122 2.179 1.00 0.00 C ATOM 316 C LEU A 20 5.940 -7.942 2.272 1.00 0.00 C ATOM 317 O LEU A 20 6.680 -8.387 1.395 1.00 0.00 O ATOM 318 CB LEU A 20 3.795 -6.811 1.723 1.00 0.00 C ATOM 319 CG LEU A 20 2.284 -6.852 1.508 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.840 -5.608 0.763 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.851 -8.106 0.747 1.00 0.00 C ATOM 0 H LEU A 20 3.300 -7.849 3.932 1.00 0.00 H new ATOM 0 HA LEU A 20 4.223 -8.906 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.018 -6.043 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.269 -6.503 0.791 1.00 0.00 H new ATOM 0 HG LEU A 20 1.806 -6.883 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.761 -5.640 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.098 -4.724 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.341 -5.565 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.769 -8.096 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.335 -8.125 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.140 -8.992 1.312 1.00 0.00 H new ATOM 333 N CYS A 21 6.393 -7.273 3.325 1.00 0.00 N ATOM 334 CA CYS A 21 7.821 -7.020 3.508 1.00 0.00 C ATOM 335 C CYS A 21 8.633 -8.306 3.403 1.00 0.00 C ATOM 336 O CYS A 21 9.726 -8.318 2.841 1.00 0.00 O ATOM 337 CB CYS A 21 8.080 -6.366 4.864 1.00 0.00 C ATOM 338 SG CYS A 21 7.570 -7.381 6.269 1.00 0.00 S ATOM 0 H CYS A 21 5.798 -6.897 4.063 1.00 0.00 H new ATOM 0 HA CYS A 21 8.136 -6.345 2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.144 -6.145 4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.552 -5.413 4.905 1.00 0.00 H new ATOM 0 HG CYS A 21 6.349 -7.789 6.089 1.00 0.00 H new ATOM 344 N LYS A 22 8.095 -9.384 3.945 1.00 0.00 N ATOM 345 CA LYS A 22 8.780 -10.668 3.907 1.00 0.00 C ATOM 346 C LYS A 22 8.617 -11.327 2.538 1.00 0.00 C ATOM 347 O LYS A 22 9.394 -12.205 2.164 1.00 0.00 O ATOM 348 CB LYS A 22 8.246 -11.592 5.008 1.00 0.00 C ATOM 349 CG LYS A 22 8.335 -10.995 6.409 1.00 0.00 C ATOM 350 CD LYS A 22 7.017 -11.142 7.174 1.00 0.00 C ATOM 351 CE LYS A 22 6.496 -12.576 7.196 1.00 0.00 C ATOM 352 NZ LYS A 22 5.275 -12.732 6.363 1.00 0.00 N ATOM 0 H LYS A 22 7.190 -9.399 4.415 1.00 0.00 H new ATOM 0 HA LYS A 22 9.842 -10.494 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.206 -11.835 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.804 -12.528 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.134 -11.487 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.599 -9.940 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.158 -10.797 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.266 -10.496 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.272 -13.250 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.275 -12.867 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.181 -13.725 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.439 -12.456 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.349 -12.125 5.522 1.00 0.00 H new ATOM 366 N HIS A 23 7.594 -10.901 1.802 1.00 0.00 N ATOM 367 CA HIS A 23 7.315 -11.452 0.479 1.00 0.00 C ATOM 368 C HIS A 23 8.116 -10.760 -0.620 1.00 0.00 C ATOM 369 O HIS A 23 8.907 -11.401 -1.313 1.00 0.00 O ATOM 370 CB HIS A 23 5.823 -11.365 0.166 1.00 0.00 C ATOM 371 CG HIS A 23 5.017 -12.448 0.811 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.160 -12.806 2.135 1.00 0.00 N ATOM 373 CD2 HIS A 23 4.057 -13.259 0.306 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.324 -13.790 2.417 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.643 -14.082 1.324 1.00 0.00 N ATOM 0 H HIS A 23 6.943 -10.174 2.100 1.00 0.00 H new ATOM 0 HA HIS A 23 7.622 -12.498 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.446 -10.397 0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.682 -11.412 -0.914 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.810 -12.378 2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.686 -13.258 -0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.216 -14.273 3.377 1.00 0.00 H new ATOM 384 N TRP A 24 7.898 -9.457 -0.797 1.00 0.00 N ATOM 385 CA TRP A 24 8.597 -8.718 -1.837 1.00 0.00 C ATOM 386 C TRP A 24 9.981 -8.266 -1.371 1.00 0.00 C ATOM 387 O TRP A 24 10.784 -7.795 -2.178 1.00 0.00 O ATOM 388 CB TRP A 24 7.764 -7.514 -2.274 1.00 0.00 C ATOM 389 CG TRP A 24 6.454 -7.893 -2.893 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.406 -8.516 -2.276 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.051 -7.675 -4.250 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.376 -8.697 -3.168 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.747 -8.190 -4.385 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.664 -7.093 -5.362 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.049 -8.141 -5.589 1.00 0.00 C ATOM 396 CZ3 TRP A 24 5.969 -7.045 -6.556 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.674 -7.566 -6.661 1.00 0.00 C ATOM 0 H TRP A 24 7.250 -8.901 -0.239 1.00 0.00 H new ATOM 0 HA TRP A 24 8.736 -9.385 -2.687 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.579 -6.876 -1.410 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.338 -6.924 -2.988 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.389 -8.821 -1.240 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.480 -9.138 -2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.663 -6.688 -5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.050 -8.543 -5.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.433 -6.598 -7.423 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.158 -7.513 -7.608 1.00 0.00 H new ATOM 408 N GLY A 25 10.267 -8.410 -0.073 1.00 0.00 N ATOM 409 CA GLY A 25 11.565 -8.007 0.437 1.00 0.00 C ATOM 410 C GLY A 25 12.677 -8.926 -0.022 1.00 0.00 C ATOM 411 O GLY A 25 13.305 -9.607 0.789 1.00 0.00 O ATOM 0 H GLY A 25 9.628 -8.794 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.780 -6.990 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.536 -7.993 1.527 1.00 0.00 H new ATOM 415 N HIS A 26 12.921 -8.946 -1.327 1.00 0.00 N ATOM 416 CA HIS A 26 13.964 -9.788 -1.894 1.00 0.00 C ATOM 417 C HIS A 26 15.121 -8.941 -2.415 1.00 0.00 C ATOM 418 O HIS A 26 16.260 -9.404 -2.476 1.00 0.00 O ATOM 419 CB HIS A 26 13.397 -10.649 -3.024 1.00 0.00 C ATOM 420 CG HIS A 26 12.818 -11.947 -2.553 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.573 -12.224 -1.224 1.00 0.00 N ATOM 422 CD2 HIS A 26 12.433 -13.048 -3.243 1.00 0.00 C ATOM 423 CE1 HIS A 26 12.064 -13.439 -1.117 1.00 0.00 C ATOM 424 NE2 HIS A 26 11.969 -13.958 -2.327 1.00 0.00 N ATOM 0 H HIS A 26 12.410 -8.388 -2.011 1.00 0.00 H new ATOM 0 HA HIS A 26 14.340 -10.440 -1.105 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.625 -10.085 -3.548 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.188 -10.854 -3.746 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.482 -13.184 -4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.775 -13.924 -0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.608 -14.887 -2.546 1.00 0.00 H new ATOM 433 N LYS A 27 14.823 -7.702 -2.798 1.00 0.00 N ATOM 434 CA LYS A 27 15.849 -6.807 -3.321 1.00 0.00 C ATOM 435 C LYS A 27 15.458 -5.346 -3.090 1.00 0.00 C ATOM 436 O LYS A 27 15.925 -4.449 -3.786 1.00 0.00 O ATOM 437 CB LYS A 27 16.056 -7.095 -4.816 1.00 0.00 C ATOM 438 CG LYS A 27 16.943 -6.093 -5.545 1.00 0.00 C ATOM 439 CD LYS A 27 16.117 -5.171 -6.430 1.00 0.00 C ATOM 440 CE LYS A 27 16.534 -3.717 -6.283 1.00 0.00 C ATOM 441 NZ LYS A 27 16.489 -2.993 -7.585 1.00 0.00 N ATOM 0 H LYS A 27 13.887 -7.298 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 27 16.787 -6.982 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.491 -8.089 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.082 -7.119 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.501 -5.501 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.675 -6.625 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.225 -5.476 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.062 -5.273 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.877 -3.221 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.543 -3.668 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.040 -2.114 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.894 -3.594 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.502 -2.765 -7.821 1.00 0.00 H new ATOM 455 N PHE A 28 14.599 -5.105 -2.102 1.00 0.00 N ATOM 456 CA PHE A 28 14.166 -3.747 -1.803 1.00 0.00 C ATOM 457 C PHE A 28 14.069 -3.505 -0.305 1.00 0.00 C ATOM 458 O PHE A 28 14.064 -4.448 0.487 1.00 0.00 O ATOM 459 CB PHE A 28 12.829 -3.460 -2.482 1.00 0.00 C ATOM 460 CG PHE A 28 12.951 -3.335 -3.972 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.417 -2.162 -4.543 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.611 -4.391 -4.801 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.539 -2.043 -5.913 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.733 -4.280 -6.172 1.00 0.00 C ATOM 465 CZ PHE A 28 13.197 -3.104 -6.730 1.00 0.00 C ATOM 0 H PHE A 28 14.195 -5.824 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 28 14.918 -3.062 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.127 -4.259 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.411 -2.538 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.688 -1.331 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.246 -5.312 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.901 -1.122 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.466 -5.111 -6.808 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.292 -3.014 -7.802 1.00 0.00 H new ATOM 475 N GLU A 29 13.994 -2.233 0.079 1.00 0.00 N ATOM 476 CA GLU A 29 13.901 -1.882 1.492 1.00 0.00 C ATOM 477 C GLU A 29 12.462 -2.002 1.973 1.00 0.00 C ATOM 478 O GLU A 29 11.626 -1.143 1.696 1.00 0.00 O ATOM 479 CB GLU A 29 14.440 -0.469 1.747 1.00 0.00 C ATOM 480 CG GLU A 29 13.821 0.604 0.868 1.00 0.00 C ATOM 481 CD GLU A 29 14.126 2.004 1.361 1.00 0.00 C ATOM 482 OE1 GLU A 29 13.343 2.527 2.182 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.147 2.578 0.928 1.00 0.00 O ATOM 0 H GLU A 29 13.996 -1.438 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 29 14.517 -2.581 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.268 -0.210 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.519 -0.471 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.191 0.492 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.741 0.462 0.833 1.00 0.00 H new ATOM 490 N VAL A 30 12.177 -3.086 2.684 1.00 0.00 N ATOM 491 CA VAL A 30 10.834 -3.334 3.188 1.00 0.00 C ATOM 492 C VAL A 30 10.794 -3.327 4.716 1.00 0.00 C ATOM 493 O VAL A 30 11.335 -4.223 5.364 1.00 0.00 O ATOM 494 CB VAL A 30 10.280 -4.685 2.680 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.524 -4.512 1.371 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.396 -5.704 2.512 1.00 0.00 C ATOM 0 H VAL A 30 12.858 -3.806 2.924 1.00 0.00 H new ATOM 0 HA VAL A 30 10.210 -2.524 2.811 1.00 0.00 H new ATOM 0 HB VAL A 30 9.583 -5.056 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.146 -5.479 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.689 -3.828 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.195 -4.105 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.979 -6.645 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.123 -5.332 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.887 -5.867 3.471 1.00 0.00 H new ATOM 506 N GLU A 31 10.136 -2.318 5.287 1.00 0.00 N ATOM 507 CA GLU A 31 10.012 -2.206 6.735 1.00 0.00 C ATOM 508 C GLU A 31 8.719 -2.867 7.202 1.00 0.00 C ATOM 509 O GLU A 31 7.783 -3.035 6.419 1.00 0.00 O ATOM 510 CB GLU A 31 10.045 -0.737 7.163 1.00 0.00 C ATOM 511 CG GLU A 31 11.003 -0.462 8.309 1.00 0.00 C ATOM 512 CD GLU A 31 11.066 1.008 8.677 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.699 1.780 7.928 1.00 0.00 O ATOM 514 OE2 GLU A 31 10.482 1.385 9.715 1.00 0.00 O ATOM 0 H GLU A 31 9.682 -1.568 4.766 1.00 0.00 H new ATOM 0 HA GLU A 31 10.855 -2.718 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.328 -0.124 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.041 -0.430 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.695 -1.038 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.000 -0.807 8.035 1.00 0.00 H new ATOM 521 N LEU A 32 8.671 -3.261 8.471 1.00 0.00 N ATOM 522 CA LEU A 32 7.487 -3.923 9.008 1.00 0.00 C ATOM 523 C LEU A 32 7.145 -3.434 10.410 1.00 0.00 C ATOM 524 O LEU A 32 7.831 -3.758 11.380 1.00 0.00 O ATOM 525 CB LEU A 32 7.706 -5.440 9.026 1.00 0.00 C ATOM 526 CG LEU A 32 6.448 -6.313 9.178 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.840 -7.745 9.516 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.513 -5.759 10.247 1.00 0.00 C ATOM 0 H LEU A 32 9.430 -3.135 9.141 1.00 0.00 H new ATOM 0 HA LEU A 32 6.647 -3.676 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.208 -5.723 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.387 -5.677 9.844 1.00 0.00 H new ATOM 0 HG LEU A 32 5.915 -6.302 8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.941 -8.353 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.461 -8.150 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.398 -7.758 10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.634 -6.399 10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.032 -5.731 11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.203 -4.751 9.972 1.00 0.00 H new ATOM 540 N THR A 33 6.053 -2.687 10.510 1.00 0.00 N ATOM 541 CA THR A 33 5.579 -2.186 11.794 1.00 0.00 C ATOM 542 C THR A 33 4.123 -2.595 11.966 1.00 0.00 C ATOM 543 O THR A 33 3.409 -2.767 10.978 1.00 0.00 O ATOM 544 CB THR A 33 5.712 -0.663 11.859 1.00 0.00 C ATOM 545 OG1 THR A 33 5.419 -0.079 10.603 1.00 0.00 O ATOM 546 CG2 THR A 33 7.094 -0.200 12.268 1.00 0.00 C ATOM 0 H THR A 33 5.477 -2.414 9.714 1.00 0.00 H new ATOM 0 HA THR A 33 6.182 -2.610 12.597 1.00 0.00 H new ATOM 0 HB THR A 33 4.999 -0.344 12.619 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.761 -0.631 10.131 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.120 0.889 12.294 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.331 -0.593 13.257 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.827 -0.563 11.548 1.00 0.00 H new ATOM 554 N PRO A 34 3.648 -2.752 13.207 1.00 0.00 N ATOM 555 CA PRO A 34 2.259 -3.136 13.461 1.00 0.00 C ATOM 556 C PRO A 34 1.308 -1.991 13.167 1.00 0.00 C ATOM 557 O PRO A 34 0.478 -1.622 13.997 1.00 0.00 O ATOM 558 CB PRO A 34 2.247 -3.483 14.942 1.00 0.00 C ATOM 559 CG PRO A 34 3.378 -2.710 15.534 1.00 0.00 C ATOM 560 CD PRO A 34 4.414 -2.559 14.449 1.00 0.00 C ATOM 0 HA PRO A 34 1.930 -3.960 12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.298 -3.208 15.403 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.378 -4.554 15.097 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.039 -1.735 15.884 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.794 -3.231 16.396 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.886 -1.577 14.480 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.209 -3.298 14.548 1.00 0.00 H new ATOM 568 N GLU A 35 1.455 -1.428 11.977 1.00 0.00 N ATOM 569 CA GLU A 35 0.643 -0.306 11.540 1.00 0.00 C ATOM 570 C GLU A 35 0.678 -0.157 10.019 1.00 0.00 C ATOM 571 O GLU A 35 -0.318 0.223 9.405 1.00 0.00 O ATOM 572 CB GLU A 35 1.160 0.986 12.182 1.00 0.00 C ATOM 573 CG GLU A 35 0.989 1.040 13.691 1.00 0.00 C ATOM 574 CD GLU A 35 -0.459 0.907 14.121 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.352 1.145 13.281 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.699 0.564 15.298 1.00 0.00 O ATOM 0 H GLU A 35 2.141 -1.737 11.288 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.386 -0.494 11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.217 1.100 11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.639 1.834 11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.574 0.242 14.148 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.390 1.982 14.064 1.00 0.00 H new ATOM 583 N ARG A 36 1.835 -0.439 9.416 1.00 0.00 N ATOM 584 CA ARG A 36 1.988 -0.311 7.977 1.00 0.00 C ATOM 585 C ARG A 36 3.295 -0.909 7.487 1.00 0.00 C ATOM 586 O ARG A 36 4.190 -1.228 8.268 1.00 0.00 O ATOM 587 CB ARG A 36 1.942 1.162 7.567 1.00 0.00 C ATOM 588 CG ARG A 36 2.791 2.058 8.453 1.00 0.00 C ATOM 589 CD ARG A 36 2.553 3.530 8.159 1.00 0.00 C ATOM 590 NE ARG A 36 3.803 4.253 7.934 1.00 0.00 N ATOM 591 CZ ARG A 36 3.917 5.577 8.011 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.860 6.325 8.303 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.090 6.155 7.792 1.00 0.00 N ATOM 0 H ARG A 36 2.672 -0.756 9.905 1.00 0.00 H new ATOM 0 HA ARG A 36 1.163 -0.858 7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.281 1.256 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.909 1.508 7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.564 1.855 9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.845 1.823 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.916 3.626 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.017 3.984 8.992 1.00 0.00 H new ATOM 0 HE ARG A 36 4.636 3.712 7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.955 5.886 8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.953 7.339 8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.905 5.585 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.178 7.170 7.851 1.00 0.00 H new ATOM 607 N GLY A 37 3.395 -1.015 6.170 1.00 0.00 N ATOM 608 CA GLY A 37 4.592 -1.526 5.544 1.00 0.00 C ATOM 609 C GLY A 37 5.277 -0.419 4.764 1.00 0.00 C ATOM 610 O GLY A 37 4.611 0.492 4.281 1.00 0.00 O ATOM 0 H GLY A 37 2.656 -0.752 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.269 -1.922 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.341 -2.351 4.878 1.00 0.00 H new ATOM 614 N PHE A 38 6.594 -0.472 4.652 1.00 0.00 N ATOM 615 CA PHE A 38 7.331 0.561 3.939 1.00 0.00 C ATOM 616 C PHE A 38 8.222 -0.067 2.883 1.00 0.00 C ATOM 617 O PHE A 38 9.166 -0.785 3.203 1.00 0.00 O ATOM 618 CB PHE A 38 8.151 1.362 4.949 1.00 0.00 C ATOM 619 CG PHE A 38 8.985 2.469 4.363 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.383 3.567 3.764 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.370 2.429 4.437 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.146 4.597 3.250 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.136 3.459 3.927 1.00 0.00 C ATOM 624 CZ PHE A 38 10.523 4.544 3.333 1.00 0.00 C ATOM 0 H PHE A 38 7.173 -1.215 5.043 1.00 0.00 H new ATOM 0 HA PHE A 38 6.640 1.232 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.472 1.791 5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.809 0.677 5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.306 3.616 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.855 1.582 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.665 5.444 2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.213 3.416 3.993 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.120 5.351 2.934 1.00 0.00 H new ATOM 634 N ILE A 39 7.915 0.205 1.621 1.00 0.00 N ATOM 635 CA ILE A 39 8.696 -0.346 0.517 1.00 0.00 C ATOM 636 C ILE A 39 9.110 0.761 -0.451 1.00 0.00 C ATOM 637 O ILE A 39 8.273 1.299 -1.175 1.00 0.00 O ATOM 638 CB ILE A 39 7.918 -1.430 -0.279 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.060 -2.308 0.655 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.896 -2.285 -1.083 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.653 -3.645 0.058 1.00 0.00 C ATOM 0 H ILE A 39 7.137 0.799 1.336 1.00 0.00 H new ATOM 0 HA ILE A 39 9.574 -0.810 0.965 1.00 0.00 H new ATOM 0 HB ILE A 39 7.238 -0.928 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.615 -2.488 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.160 -1.756 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.344 -3.043 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.445 -1.652 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.597 -2.771 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.053 -4.198 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.068 -3.477 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.545 -4.220 -0.189 1.00 0.00 H new ATOM 704 N SER A 44 11.007 6.845 -5.248 1.00 0.00 N ATOM 705 CA SER A 44 9.584 6.745 -4.938 1.00 0.00 C ATOM 706 C SER A 44 9.396 5.842 -3.718 1.00 0.00 C ATOM 707 O SER A 44 10.377 5.387 -3.132 1.00 0.00 O ATOM 708 CB SER A 44 8.808 6.202 -6.145 1.00 0.00 C ATOM 709 OG SER A 44 8.263 4.919 -5.885 1.00 0.00 O ATOM 0 HA SER A 44 9.192 7.736 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.005 6.893 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.471 6.148 -7.009 1.00 0.00 H new ATOM 0 HG SER A 44 8.909 4.230 -6.146 1.00 0.00 H new ATOM 715 N ASN A 45 8.147 5.580 -3.326 1.00 0.00 N ATOM 716 CA ASN A 45 7.886 4.731 -2.167 1.00 0.00 C ATOM 717 C ASN A 45 6.440 4.258 -2.169 1.00 0.00 C ATOM 718 O ASN A 45 5.614 4.762 -2.930 1.00 0.00 O ATOM 719 CB ASN A 45 8.171 5.475 -0.846 1.00 0.00 C ATOM 720 CG ASN A 45 9.243 6.545 -0.963 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.085 7.526 -1.690 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.340 6.364 -0.238 1.00 0.00 N ATOM 0 H ASN A 45 7.312 5.939 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 45 8.555 3.873 -2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.248 5.936 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.475 4.751 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.092 7.052 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.431 5.537 0.352 1.00 0.00 H new ATOM 729 N CYS A 46 6.132 3.295 -1.307 1.00 0.00 N ATOM 730 CA CYS A 46 4.779 2.774 -1.211 1.00 0.00 C ATOM 731 C CYS A 46 4.512 2.241 0.192 1.00 0.00 C ATOM 732 O CYS A 46 4.956 1.150 0.550 1.00 0.00 O ATOM 733 CB CYS A 46 4.567 1.674 -2.248 1.00 0.00 C ATOM 734 SG CYS A 46 2.846 1.168 -2.447 1.00 0.00 S ATOM 0 H CYS A 46 6.800 2.863 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 46 4.077 3.584 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.946 2.019 -3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.160 0.804 -1.965 1.00 0.00 H new ATOM 0 HG CYS A 46 2.770 0.234 -3.348 1.00 0.00 H new ATOM 740 N GLU A 47 3.789 3.024 0.983 1.00 0.00 N ATOM 741 CA GLU A 47 3.461 2.647 2.351 1.00 0.00 C ATOM 742 C GLU A 47 2.013 2.185 2.432 1.00 0.00 C ATOM 743 O GLU A 47 1.173 2.628 1.649 1.00 0.00 O ATOM 744 CB GLU A 47 3.692 3.846 3.278 1.00 0.00 C ATOM 745 CG GLU A 47 4.127 3.493 4.696 1.00 0.00 C ATOM 746 CD GLU A 47 4.914 4.612 5.352 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.595 5.791 5.093 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.847 4.308 6.123 1.00 0.00 O ATOM 0 H GLU A 47 3.417 3.930 0.697 1.00 0.00 H new ATOM 0 HA GLU A 47 4.103 1.824 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.450 4.490 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.771 4.427 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.247 3.269 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.736 2.589 4.673 1.00 0.00 H new ATOM 755 N LEU A 48 1.714 1.292 3.373 1.00 0.00 N ATOM 756 CA LEU A 48 0.348 0.797 3.511 1.00 0.00 C ATOM 757 C LEU A 48 -0.053 0.647 4.963 1.00 0.00 C ATOM 758 O LEU A 48 0.566 -0.099 5.710 1.00 0.00 O ATOM 759 CB LEU A 48 0.153 -0.539 2.782 1.00 0.00 C ATOM 760 CG LEU A 48 1.336 -1.517 2.825 1.00 0.00 C ATOM 761 CD1 LEU A 48 0.961 -2.836 2.163 1.00 0.00 C ATOM 762 CD2 LEU A 48 2.559 -0.915 2.146 1.00 0.00 C ATOM 0 H LEU A 48 2.383 0.904 4.038 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.297 1.545 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.718 -1.037 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.079 -0.328 1.738 1.00 0.00 H new ATOM 0 HG LEU A 48 1.582 -1.708 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.811 -3.517 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.116 -3.280 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.688 -2.656 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.385 -1.625 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.325 -0.693 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.844 0.004 2.658 1.00 0.00 H new ATOM 774 N LEU A 49 -1.123 1.336 5.341 1.00 0.00 N ATOM 775 CA LEU A 49 -1.636 1.252 6.708 1.00 0.00 C ATOM 776 C LEU A 49 -2.643 0.126 6.786 1.00 0.00 C ATOM 777 O LEU A 49 -3.526 0.023 5.940 1.00 0.00 O ATOM 778 CB LEU A 49 -2.285 2.565 7.150 1.00 0.00 C ATOM 779 CG LEU A 49 -2.383 2.753 8.667 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.343 3.752 9.151 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.783 3.206 9.058 1.00 0.00 C ATOM 0 H LEU A 49 -1.651 1.956 4.727 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.800 1.058 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.716 3.395 6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.287 2.620 6.725 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.185 1.794 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.429 3.872 10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.346 3.387 8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.508 4.714 8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.835 3.335 10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.009 4.153 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.509 2.455 8.747 1.00 0.00 H new ATOM 793 N ALA A 50 -2.496 -0.742 7.774 1.00 0.00 N ATOM 794 CA ALA A 50 -3.399 -1.870 7.894 1.00 0.00 C ATOM 795 C ALA A 50 -3.763 -2.194 9.334 1.00 0.00 C ATOM 796 O ALA A 50 -2.929 -2.645 10.118 1.00 0.00 O ATOM 797 CB ALA A 50 -2.788 -3.072 7.203 1.00 0.00 C ATOM 0 H ALA A 50 -1.773 -0.688 8.492 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.336 -1.598 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.463 -3.924 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.627 -2.843 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.834 -3.315 7.672 1.00 0.00 H new ATOM 803 N HIS A 51 -5.036 -1.983 9.656 1.00 0.00 N ATOM 804 CA HIS A 51 -5.560 -2.268 10.968 1.00 0.00 C ATOM 805 C HIS A 51 -6.533 -3.452 10.863 1.00 0.00 C ATOM 806 O HIS A 51 -6.951 -3.825 9.769 1.00 0.00 O ATOM 807 CB HIS A 51 -6.241 -1.021 11.558 1.00 0.00 C ATOM 808 CG HIS A 51 -5.908 -0.779 13.000 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.820 -0.288 13.910 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.755 -0.969 13.692 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.246 -0.184 15.095 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.994 -0.590 14.989 1.00 0.00 N ATOM 0 H HIS A 51 -5.727 -1.608 9.006 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.750 -2.538 11.645 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.948 -0.148 10.975 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.321 -1.125 11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.824 -1.347 13.296 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.720 0.173 15.997 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.314 -0.617 15.749 1.00 0.00 H new ATOM 821 N PRO A 52 -6.883 -4.070 11.994 1.00 0.00 N ATOM 822 CA PRO A 52 -7.778 -5.234 12.039 1.00 0.00 C ATOM 823 C PRO A 52 -9.052 -5.092 11.207 1.00 0.00 C ATOM 824 O PRO A 52 -9.689 -6.095 10.885 1.00 0.00 O ATOM 825 CB PRO A 52 -8.118 -5.344 13.523 1.00 0.00 C ATOM 826 CG PRO A 52 -6.917 -4.799 14.209 1.00 0.00 C ATOM 827 CD PRO A 52 -6.410 -3.691 13.326 1.00 0.00 C ATOM 0 HA PRO A 52 -7.295 -6.112 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.013 -4.773 13.771 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.309 -6.377 13.813 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.169 -4.424 15.201 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.159 -5.571 14.343 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.805 -2.722 13.631 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.323 -3.617 13.360 1.00 0.00 H new ATOM 835 N ASP A 53 -9.447 -3.865 10.866 1.00 0.00 N ATOM 836 CA ASP A 53 -10.668 -3.679 10.086 1.00 0.00 C ATOM 837 C ASP A 53 -10.566 -2.572 9.038 1.00 0.00 C ATOM 838 O ASP A 53 -11.536 -2.319 8.324 1.00 0.00 O ATOM 839 CB ASP A 53 -11.851 -3.406 11.016 1.00 0.00 C ATOM 840 CG ASP A 53 -13.169 -3.868 10.426 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.292 -3.878 9.183 1.00 0.00 O ATOM 842 OD2 ASP A 53 -14.078 -4.220 11.206 1.00 0.00 O ATOM 0 H ASP A 53 -8.954 -3.006 11.110 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.823 -4.609 9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.685 -3.911 11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.905 -2.338 11.227 1.00 0.00 H new ATOM 847 N HIS A 54 -9.410 -1.933 8.907 1.00 0.00 N ATOM 848 CA HIS A 54 -9.268 -0.895 7.890 1.00 0.00 C ATOM 849 C HIS A 54 -7.855 -0.858 7.316 1.00 0.00 C ATOM 850 O HIS A 54 -6.908 -1.322 7.951 1.00 0.00 O ATOM 851 CB HIS A 54 -9.665 0.480 8.429 1.00 0.00 C ATOM 852 CG HIS A 54 -8.889 0.915 9.633 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.738 1.669 9.553 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.111 0.711 10.953 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.286 1.910 10.770 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.102 1.342 11.639 1.00 0.00 N ATOM 0 H HIS A 54 -8.579 -2.106 9.473 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.953 -1.150 7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.533 1.219 7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.726 0.467 8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.930 0.155 11.386 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.399 2.476 11.013 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.000 1.368 12.654 1.00 0.00 H new ATOM 865 N VAL A 55 -7.716 -0.313 6.104 1.00 0.00 N ATOM 866 CA VAL A 55 -6.420 -0.234 5.456 1.00 0.00 C ATOM 867 C VAL A 55 -6.264 1.080 4.693 1.00 0.00 C ATOM 868 O VAL A 55 -7.180 1.527 4.003 1.00 0.00 O ATOM 869 CB VAL A 55 -6.208 -1.431 4.497 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.745 -1.140 3.102 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.740 -1.825 4.437 1.00 0.00 C ATOM 0 H VAL A 55 -8.486 0.076 5.560 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.660 -0.272 6.237 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.775 -2.271 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.577 -2.004 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.814 -0.933 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.229 -0.274 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.617 -2.668 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.151 -0.981 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.399 -2.109 5.432 1.00 0.00 H new ATOM 881 N LEU A 56 -5.091 1.679 4.816 1.00 0.00 N ATOM 882 CA LEU A 56 -4.787 2.933 4.135 1.00 0.00 C ATOM 883 C LEU A 56 -3.631 2.718 3.164 1.00 0.00 C ATOM 884 O LEU A 56 -2.734 1.917 3.424 1.00 0.00 O ATOM 885 CB LEU A 56 -4.434 4.038 5.151 1.00 0.00 C ATOM 886 CG LEU A 56 -5.407 5.223 5.241 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.977 6.175 6.350 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.500 5.971 3.917 1.00 0.00 C ATOM 0 H LEU A 56 -4.326 1.316 5.385 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.669 3.255 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.359 3.582 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.446 4.426 4.903 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.395 4.825 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.675 7.011 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.972 5.645 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.976 6.551 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.197 6.803 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.516 6.353 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.854 5.293 3.140 1.00 0.00 H new ATOM 900 N MET A 57 -3.664 3.419 2.040 1.00 0.00 N ATOM 901 CA MET A 57 -2.618 3.280 1.032 1.00 0.00 C ATOM 902 C MET A 57 -2.047 4.641 0.637 1.00 0.00 C ATOM 903 O MET A 57 -2.745 5.467 0.053 1.00 0.00 O ATOM 904 CB MET A 57 -3.182 2.541 -0.185 1.00 0.00 C ATOM 905 CG MET A 57 -4.066 1.364 0.207 1.00 0.00 C ATOM 906 SD MET A 57 -4.676 0.443 -1.220 1.00 0.00 S ATOM 907 CE MET A 57 -6.354 1.056 -1.333 1.00 0.00 C ATOM 0 H MET A 57 -4.398 4.086 1.802 1.00 0.00 H new ATOM 0 HA MET A 57 -1.797 2.699 1.451 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.758 3.237 -0.794 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.358 2.183 -0.803 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.502 0.692 0.854 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.913 1.729 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.048 0.216 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.569 1.688 -0.471 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.468 1.639 -2.247 1.00 0.00 H new ATOM 917 N ILE A 58 -0.769 4.870 0.962 1.00 0.00 N ATOM 918 CA ILE A 58 -0.114 6.127 0.645 1.00 0.00 C ATOM 919 C ILE A 58 1.164 5.887 -0.151 1.00 0.00 C ATOM 920 O ILE A 58 1.932 4.974 0.153 1.00 0.00 O ATOM 921 CB ILE A 58 0.249 6.912 1.925 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.978 7.062 2.842 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.836 8.267 1.559 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.297 8.494 3.235 1.00 0.00 C ATOM 0 H ILE A 58 -0.175 4.196 1.444 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.818 6.710 0.051 1.00 0.00 H new ATOM 0 HB ILE A 58 1.003 6.352 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.846 6.634 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.813 6.478 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.088 8.812 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.736 8.124 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.105 8.837 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.175 8.507 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.448 8.923 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.497 9.081 2.339 1.00 0.00 H new ATOM 936 N LEU A 59 1.394 6.714 -1.165 1.00 0.00 N ATOM 937 CA LEU A 59 2.589 6.586 -1.989 1.00 0.00 C ATOM 938 C LEU A 59 3.400 7.871 -1.985 1.00 0.00 C ATOM 939 O LEU A 59 2.846 8.965 -1.955 1.00 0.00 O ATOM 940 CB LEU A 59 2.219 6.212 -3.435 1.00 0.00 C ATOM 941 CG LEU A 59 1.703 7.345 -4.338 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.471 7.983 -3.738 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.771 8.400 -4.606 1.00 0.00 C ATOM 0 H LEU A 59 0.772 7.476 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 59 3.197 5.789 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.099 5.776 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.457 5.433 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 59 1.441 6.898 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.121 8.782 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.312 7.232 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.715 8.395 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.360 9.179 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.093 8.840 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.625 7.936 -5.100 1.00 0.00 H new ATOM 955 N ASN A 60 4.713 7.731 -2.064 1.00 0.00 N ATOM 956 CA ASN A 60 5.597 8.884 -2.126 1.00 0.00 C ATOM 957 C ASN A 60 6.412 8.792 -3.405 1.00 0.00 C ATOM 958 O ASN A 60 7.345 7.997 -3.499 1.00 0.00 O ATOM 959 CB ASN A 60 6.517 8.935 -0.904 1.00 0.00 C ATOM 960 CG ASN A 60 5.746 8.939 0.400 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.535 8.719 0.420 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.446 9.189 1.500 1.00 0.00 N ATOM 0 H ASN A 60 5.191 6.830 -2.087 1.00 0.00 H new ATOM 0 HA ASN A 60 5.006 9.800 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.189 8.077 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.139 9.829 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.981 9.204 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.449 9.366 1.437 1.00 0.00 H new ATOM 969 N SER A 61 6.034 9.579 -4.404 1.00 0.00 N ATOM 970 CA SER A 61 6.733 9.527 -5.695 1.00 0.00 C ATOM 971 C SER A 61 6.823 10.891 -6.382 1.00 0.00 C ATOM 972 O SER A 61 5.849 11.644 -6.431 1.00 0.00 O ATOM 973 CB SER A 61 6.018 8.549 -6.628 1.00 0.00 C ATOM 974 OG SER A 61 5.247 7.616 -5.894 1.00 0.00 O ATOM 0 H SER A 61 5.266 10.249 -4.356 1.00 0.00 H new ATOM 0 HA SER A 61 7.751 9.196 -5.487 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.373 9.100 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.751 8.020 -7.237 1.00 0.00 H new ATOM 0 HG SER A 61 5.198 6.771 -6.388 1.00 0.00 H new ATOM 980 N PRO A 62 8.009 11.214 -6.931 1.00 0.00 N ATOM 981 CA PRO A 62 8.260 12.480 -7.636 1.00 0.00 C ATOM 982 C PRO A 62 7.547 12.589 -8.980 1.00 0.00 C ATOM 983 O PRO A 62 7.569 13.648 -9.608 1.00 0.00 O ATOM 984 CB PRO A 62 9.768 12.459 -7.848 1.00 0.00 C ATOM 985 CG PRO A 62 10.122 11.017 -7.888 1.00 0.00 C ATOM 986 CD PRO A 62 9.212 10.363 -6.898 1.00 0.00 C ATOM 0 HA PRO A 62 7.888 13.330 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.045 12.961 -8.775 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.289 12.973 -7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.980 10.604 -8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.168 10.861 -7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.985 9.334 -7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.656 10.332 -5.903 1.00 0.00 H new ATOM 994 N ASP A 63 6.916 11.508 -9.429 1.00 0.00 N ATOM 995 CA ASP A 63 6.216 11.537 -10.705 1.00 0.00 C ATOM 996 C ASP A 63 4.924 10.721 -10.621 1.00 0.00 C ATOM 997 O ASP A 63 4.870 9.719 -9.910 1.00 0.00 O ATOM 998 CB ASP A 63 7.128 11.005 -11.819 1.00 0.00 C ATOM 999 CG ASP A 63 6.369 10.619 -13.076 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.404 11.329 -13.429 1.00 0.00 O ATOM 1001 OD2 ASP A 63 6.741 9.607 -13.706 1.00 0.00 O ATOM 0 H ASP A 63 6.876 10.616 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 63 5.952 12.568 -10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.869 11.765 -12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.674 10.137 -11.450 1.00 0.00 H new ATOM 1006 N GLU A 64 3.879 11.147 -11.336 1.00 0.00 N ATOM 1007 CA GLU A 64 2.601 10.410 -11.292 1.00 0.00 C ATOM 1008 C GLU A 64 2.781 8.964 -11.746 1.00 0.00 C ATOM 1009 O GLU A 64 2.244 8.055 -11.118 1.00 0.00 O ATOM 1010 CB GLU A 64 1.491 11.089 -12.105 1.00 0.00 C ATOM 1011 CG GLU A 64 0.680 12.071 -11.276 1.00 0.00 C ATOM 1012 CD GLU A 64 1.246 13.476 -11.316 1.00 0.00 C ATOM 1013 OE1 GLU A 64 2.007 13.783 -12.257 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.927 14.271 -10.406 1.00 0.00 O ATOM 0 H GLU A 64 3.883 11.972 -11.936 1.00 0.00 H new ATOM 0 HA GLU A 64 2.284 10.417 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.934 11.613 -12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.826 10.328 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.347 12.087 -11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.646 11.727 -10.242 1.00 0.00 H new ATOM 1021 N ASP A 65 3.550 8.733 -12.816 1.00 0.00 N ATOM 1022 CA ASP A 65 3.787 7.368 -13.283 1.00 0.00 C ATOM 1023 C ASP A 65 4.171 6.500 -12.096 1.00 0.00 C ATOM 1024 O ASP A 65 3.526 5.492 -11.804 1.00 0.00 O ATOM 1025 CB ASP A 65 4.910 7.355 -14.313 1.00 0.00 C ATOM 1026 CG ASP A 65 5.021 6.027 -15.036 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.385 5.025 -14.384 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.746 5.989 -16.254 1.00 0.00 O ATOM 0 H ASP A 65 4.010 9.460 -13.364 1.00 0.00 H new ATOM 0 HA ASP A 65 2.881 6.980 -13.748 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.740 8.148 -15.041 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.856 7.575 -13.817 1.00 0.00 H new ATOM 1033 N SER A 66 5.196 6.947 -11.381 1.00 0.00 N ATOM 1034 CA SER A 66 5.646 6.268 -10.174 1.00 0.00 C ATOM 1035 C SER A 66 4.509 6.278 -9.160 1.00 0.00 C ATOM 1036 O SER A 66 4.047 5.239 -8.694 1.00 0.00 O ATOM 1037 CB SER A 66 6.867 6.980 -9.592 1.00 0.00 C ATOM 1038 OG SER A 66 8.014 6.769 -10.396 1.00 0.00 O ATOM 0 H SER A 66 5.733 7.781 -11.618 1.00 0.00 H new ATOM 0 HA SER A 66 5.926 5.242 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.666 8.048 -9.514 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.056 6.617 -8.582 1.00 0.00 H new ATOM 0 HG SER A 66 8.780 7.236 -10.002 1.00 0.00 H new ATOM 1044 N LEU A 67 4.058 7.489 -8.861 1.00 0.00 N ATOM 1045 CA LEU A 67 2.958 7.741 -7.931 1.00 0.00 C ATOM 1046 C LEU A 67 1.832 6.722 -8.098 1.00 0.00 C ATOM 1047 O LEU A 67 1.505 5.996 -7.161 1.00 0.00 O ATOM 1048 CB LEU A 67 2.457 9.179 -8.177 1.00 0.00 C ATOM 1049 CG LEU A 67 1.105 9.587 -7.579 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.890 11.079 -7.755 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.051 8.822 -8.206 1.00 0.00 C ATOM 0 H LEU A 67 4.451 8.340 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 67 3.309 7.636 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.212 9.865 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.405 9.334 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 67 1.128 9.339 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.072 11.361 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.686 11.624 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.902 11.326 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.989 9.143 -7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.080 9.020 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.086 7.754 -8.038 1.00 0.00 H new ATOM 1063 N ALA A 68 1.241 6.664 -9.282 1.00 0.00 N ATOM 1064 CA ALA A 68 0.156 5.725 -9.531 1.00 0.00 C ATOM 1065 C ALA A 68 0.666 4.295 -9.462 1.00 0.00 C ATOM 1066 O ALA A 68 -0.025 3.401 -8.973 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.487 6.002 -10.882 1.00 0.00 C ATOM 0 H ALA A 68 1.491 7.250 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.601 5.856 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.296 5.291 -11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.886 7.016 -10.894 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.260 5.897 -11.669 1.00 0.00 H new ATOM 1073 N HIS A 69 1.891 4.083 -9.939 1.00 0.00 N ATOM 1074 CA HIS A 69 2.498 2.759 -9.912 1.00 0.00 C ATOM 1075 C HIS A 69 2.475 2.206 -8.493 1.00 0.00 C ATOM 1076 O HIS A 69 2.251 1.017 -8.276 1.00 0.00 O ATOM 1077 CB HIS A 69 3.936 2.817 -10.429 1.00 0.00 C ATOM 1078 CG HIS A 69 4.539 1.468 -10.674 1.00 0.00 C ATOM 1079 ND1 HIS A 69 3.913 0.289 -10.327 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.720 1.114 -11.235 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.683 -0.731 -10.663 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.784 -0.258 -11.216 1.00 0.00 N ATOM 0 H HIS A 69 2.479 4.810 -10.347 1.00 0.00 H new ATOM 0 HA HIS A 69 1.923 2.099 -10.562 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.957 3.389 -11.356 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.551 3.355 -9.708 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.999 0.216 -9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.471 1.785 -11.625 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.451 -1.775 -10.511 1.00 0.00 H new ATOM 1091 N MET A 70 2.709 3.092 -7.530 1.00 0.00 N ATOM 1092 CA MET A 70 2.720 2.713 -6.119 1.00 0.00 C ATOM 1093 C MET A 70 1.294 2.596 -5.558 1.00 0.00 C ATOM 1094 O MET A 70 0.915 1.542 -5.048 1.00 0.00 O ATOM 1095 CB MET A 70 3.534 3.733 -5.317 1.00 0.00 C ATOM 1096 CG MET A 70 4.904 4.009 -5.906 1.00 0.00 C ATOM 1097 SD MET A 70 5.882 2.511 -6.129 1.00 0.00 S ATOM 1098 CE MET A 70 6.689 2.861 -7.689 1.00 0.00 C ATOM 0 H MET A 70 2.894 4.080 -7.701 1.00 0.00 H new ATOM 0 HA MET A 70 3.187 1.732 -6.030 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.976 4.668 -5.260 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.652 3.370 -4.296 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.787 4.508 -6.868 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.443 4.696 -5.254 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.198 2.303 -8.486 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.625 3.928 -7.901 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.736 2.565 -7.631 1.00 0.00 H new ATOM 1108 N GLN A 71 0.505 3.676 -5.642 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.866 3.651 -5.123 1.00 0.00 C ATOM 1110 C GLN A 71 -1.695 2.527 -5.749 1.00 0.00 C ATOM 1111 O GLN A 71 -2.631 2.025 -5.127 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.591 4.995 -5.313 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.286 5.726 -6.606 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.544 6.095 -7.370 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.230 7.060 -7.032 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -2.853 5.326 -8.408 1.00 0.00 N ATOM 0 H GLN A 71 0.788 4.564 -6.058 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.772 3.463 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.665 4.819 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.334 5.647 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.720 6.631 -6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.653 5.100 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.256 4.536 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.687 5.525 -8.960 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.356 2.132 -6.974 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.090 1.068 -7.654 1.00 0.00 C ATOM 1127 C ASN A 72 -1.604 -0.308 -7.207 1.00 0.00 C ATOM 1128 O ASN A 72 -2.407 -1.195 -6.918 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.954 1.201 -9.171 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.156 0.645 -9.909 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.311 -0.569 -10.042 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -4.015 1.534 -10.396 1.00 0.00 N ATOM 0 H ASN A 72 -0.585 2.528 -7.512 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.141 1.167 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.825 2.252 -9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.055 0.679 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.842 1.219 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.847 2.531 -10.263 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.283 -0.480 -7.151 1.00 0.00 N ATOM 1140 CA VAL A 73 0.313 -1.748 -6.737 1.00 0.00 C ATOM 1141 C VAL A 73 -0.384 -2.299 -5.492 1.00 0.00 C ATOM 1142 O VAL A 73 -0.627 -3.501 -5.388 1.00 0.00 O ATOM 1143 CB VAL A 73 1.828 -1.584 -6.467 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.350 -2.654 -5.518 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.602 -1.612 -7.776 1.00 0.00 C ATOM 0 H VAL A 73 0.395 0.245 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 73 0.180 -2.458 -7.553 1.00 0.00 H new ATOM 0 HB VAL A 73 1.977 -0.617 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.417 -2.505 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.823 -2.585 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.184 -3.639 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.666 -1.496 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.431 -2.563 -8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.264 -0.797 -8.416 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.704 -1.412 -4.557 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.377 -1.819 -3.325 1.00 0.00 C ATOM 1157 C VAL A 74 -2.837 -2.184 -3.593 1.00 0.00 C ATOM 1158 O VAL A 74 -3.314 -3.222 -3.135 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.318 -0.722 -2.240 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.040 -1.163 -0.972 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.121 -0.342 -1.921 1.00 0.00 C ATOM 0 H VAL A 74 -0.511 -0.413 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.844 -2.695 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.826 0.157 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.982 -0.371 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.085 -1.369 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.570 -2.065 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.131 0.432 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.657 -1.219 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.606 0.033 -2.822 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.547 -1.336 -4.349 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.946 -1.597 -4.680 1.00 0.00 C ATOM 1173 C ALA A 75 -5.115 -3.032 -5.155 1.00 0.00 C ATOM 1174 O ALA A 75 -6.178 -3.634 -5.001 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.435 -0.628 -5.748 1.00 0.00 C ATOM 0 H ALA A 75 -3.175 -0.470 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.546 -1.450 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.479 -0.839 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.345 0.394 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.832 -0.745 -6.649 1.00 0.00 H new ATOM 1181 N ASP A 76 -4.046 -3.573 -5.729 1.00 0.00 N ATOM 1182 CA ASP A 76 -4.053 -4.942 -6.227 1.00 0.00 C ATOM 1183 C ASP A 76 -3.901 -5.942 -5.081 1.00 0.00 C ATOM 1184 O ASP A 76 -4.566 -6.978 -5.059 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.930 -5.142 -7.247 1.00 0.00 C ATOM 1186 CG ASP A 76 -3.349 -6.032 -8.400 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -4.270 -6.855 -8.212 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.756 -5.907 -9.492 1.00 0.00 O ATOM 0 H ASP A 76 -3.162 -3.082 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.012 -5.119 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.618 -4.172 -7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.065 -5.580 -6.749 1.00 0.00 H new ATOM 1193 N HIS A 77 -3.017 -5.630 -4.135 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.778 -6.513 -2.994 1.00 0.00 C ATOM 1195 C HIS A 77 -4.061 -6.754 -2.198 1.00 0.00 C ATOM 1196 O HIS A 77 -4.332 -7.877 -1.772 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.688 -5.940 -2.083 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.418 -5.613 -2.806 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.218 -5.892 -4.141 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.728 -5.034 -2.370 1.00 0.00 C ATOM 1201 CE1 HIS A 77 0.994 -5.500 -4.496 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.586 -4.976 -3.440 1.00 0.00 N ATOM 0 H HIS A 77 -2.457 -4.777 -4.135 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.438 -7.472 -3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.065 -5.038 -1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.472 -6.658 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.928 -4.684 -1.368 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.425 -5.593 -5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.530 -4.590 -3.421 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.848 -5.700 -2.002 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.099 -5.801 -1.261 1.00 0.00 C ATOM 1213 C LEU A 78 -7.115 -6.677 -1.996 1.00 0.00 C ATOM 1214 O LEU A 78 -8.070 -7.165 -1.393 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.703 -4.406 -1.044 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.909 -3.452 -0.141 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.749 -2.228 0.186 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.472 -4.152 1.138 1.00 0.00 C ATOM 0 H LEU A 78 -4.639 -4.763 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.873 -6.261 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.826 -3.932 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.700 -4.527 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.013 -3.136 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.179 -1.556 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.014 -1.712 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.658 -2.538 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.911 -3.455 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.351 -4.498 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.840 -5.005 0.889 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.924 -6.853 -3.302 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.854 -7.646 -4.105 1.00 0.00 C ATOM 1232 C GLN A 79 -7.637 -9.153 -3.944 1.00 0.00 C ATOM 1233 O GLN A 79 -8.592 -9.886 -3.685 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.757 -7.240 -5.581 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.470 -8.191 -6.533 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.331 -7.777 -7.984 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -7.966 -8.584 -8.840 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.621 -6.512 -8.269 1.00 0.00 N ATOM 0 H GLN A 79 -6.140 -6.461 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.858 -7.434 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.176 -6.241 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.706 -7.181 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.067 -9.196 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.527 -8.236 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.920 -5.878 -7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.545 -6.175 -9.229 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.402 -9.628 -4.102 1.00 0.00 N ATOM 1248 CA ARG A 80 -6.135 -11.056 -3.971 1.00 0.00 C ATOM 1249 C ARG A 80 -6.405 -11.523 -2.548 1.00 0.00 C ATOM 1250 O ARG A 80 -6.788 -12.671 -2.325 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.701 -11.405 -4.379 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.663 -10.384 -3.950 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.506 -11.040 -3.211 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.951 -12.169 -3.954 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.746 -12.684 -3.727 1.00 0.00 C ATOM 1256 NH1 ARG A 80 0.033 -12.178 -2.780 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -0.318 -13.712 -4.450 1.00 0.00 N ATOM 0 H ARG A 80 -5.586 -9.056 -4.317 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.810 -11.577 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.440 -12.373 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.660 -11.514 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.285 -9.858 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.130 -9.637 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.723 -10.302 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.847 -11.382 -2.234 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.521 -12.587 -4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.291 -11.389 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.956 -12.578 -2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.913 -14.106 -5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.606 -14.108 -4.277 1.00 0.00 H new ATOM 1271 N MET A 81 -6.212 -10.628 -1.587 1.00 0.00 N ATOM 1272 CA MET A 81 -6.448 -10.962 -0.190 1.00 0.00 C ATOM 1273 C MET A 81 -7.938 -10.934 0.142 1.00 0.00 C ATOM 1274 O MET A 81 -8.359 -11.446 1.180 1.00 0.00 O ATOM 1275 CB MET A 81 -5.670 -10.018 0.736 1.00 0.00 C ATOM 1276 CG MET A 81 -6.050 -8.544 0.630 1.00 0.00 C ATOM 1277 SD MET A 81 -7.674 -8.171 1.321 1.00 0.00 S ATOM 1278 CE MET A 81 -7.298 -6.719 2.297 1.00 0.00 C ATOM 0 H MET A 81 -5.895 -9.672 -1.748 1.00 0.00 H new ATOM 0 HA MET A 81 -6.087 -11.978 -0.027 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.819 -10.342 1.766 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.606 -10.119 0.520 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.298 -7.945 1.144 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.032 -8.246 -0.418 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.550 -6.907 3.341 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.235 -6.491 2.216 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.879 -5.873 1.930 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.346 -4.781 -5.885 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.192 -3.940 -4.684 1.00 0.00 C ATOM 1351 C LEU A 87 -11.809 -2.560 -4.835 1.00 0.00 C ATOM 1352 O LEU A 87 -11.244 -1.688 -5.496 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.715 -3.756 -4.293 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.313 -4.283 -2.907 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.336 -3.154 -1.889 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.212 -5.424 -2.443 1.00 0.00 C ATOM 0 HA LEU A 87 -11.724 -4.482 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.097 -4.253 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.478 -2.693 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.300 -4.677 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.049 -3.540 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.635 -2.377 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.341 -2.735 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.890 -5.764 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.243 -5.075 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.147 -6.250 -3.151 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.936 -2.340 -4.177 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.557 -1.032 -4.217 1.00 0.00 C ATOM 1370 C GLU A 88 -12.680 -0.072 -3.430 1.00 0.00 C ATOM 1371 O GLU A 88 -12.738 -0.030 -2.202 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.962 -1.083 -3.612 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.707 0.239 -3.690 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.830 0.334 -2.676 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.642 -0.612 -2.598 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -16.898 1.355 -1.961 1.00 0.00 O ATOM 0 H GLU A 88 -13.429 -3.037 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.653 -0.697 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.543 -1.848 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.888 -1.388 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.006 1.058 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.116 0.363 -4.693 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.851 0.684 -4.139 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.946 1.620 -3.490 1.00 0.00 C ATOM 1385 C ILE A 89 -10.988 2.986 -4.172 1.00 0.00 C ATOM 1386 O ILE A 89 -10.834 3.076 -5.390 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.482 1.080 -3.472 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.773 1.272 -4.826 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.464 -0.390 -3.092 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.101 0.205 -5.849 1.00 0.00 C ATOM 0 H ILE A 89 -11.788 0.667 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.283 1.731 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.939 1.660 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.045 2.246 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.696 1.285 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.436 -0.751 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.900 -0.515 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.043 -0.961 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.563 0.411 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.803 -0.771 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.173 0.206 -6.045 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.176 4.056 -3.399 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.195 5.383 -3.993 1.00 0.00 C ATOM 1404 C ALA A 90 -9.810 5.998 -3.906 1.00 0.00 C ATOM 1405 O ALA A 90 -9.331 6.332 -2.823 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.220 6.290 -3.318 1.00 0.00 C ATOM 0 H ALA A 90 -11.313 4.029 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.487 5.283 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.204 7.272 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.214 5.855 -3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.975 6.392 -2.261 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.170 6.140 -5.055 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.834 6.709 -5.117 1.00 0.00 C ATOM 1414 C TRP A 91 -7.888 8.202 -5.410 1.00 0.00 C ATOM 1415 O TRP A 91 -8.602 8.646 -6.308 1.00 0.00 O ATOM 1416 CB TRP A 91 -7.001 6.000 -6.184 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.568 6.129 -7.565 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.553 5.365 -8.121 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.184 7.081 -8.564 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.805 5.783 -9.406 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -7.978 6.835 -9.700 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.247 8.117 -8.609 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -7.862 7.587 -10.866 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -6.134 8.863 -9.767 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -6.937 8.595 -10.881 1.00 0.00 C ATOM 0 H TRP A 91 -9.555 5.868 -5.959 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.364 6.565 -4.144 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.990 6.407 -6.175 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.921 4.943 -5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -9.060 4.551 -7.624 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.495 5.376 -10.038 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.622 8.331 -7.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.480 7.382 -11.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -5.414 9.666 -9.813 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -6.824 9.196 -11.771 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.124 8.970 -4.644 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.079 10.416 -4.820 1.00 0.00 C ATOM 1438 C GLN A 92 -5.997 10.800 -5.827 1.00 0.00 C ATOM 1439 O GLN A 92 -5.014 10.081 -6.001 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.816 11.108 -3.481 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.939 10.928 -2.472 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.554 11.395 -1.082 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.762 12.325 -0.924 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.114 10.751 -0.065 1.00 0.00 N ATOM 0 H GLN A 92 -6.528 8.617 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.045 10.744 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.891 10.719 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.663 12.173 -3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.816 11.482 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.222 9.876 -2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.765 9.986 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.893 11.021 0.893 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.173 11.941 -6.516 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.216 12.420 -7.519 1.00 0.00 C ATOM 1455 C PRO A 93 -3.775 12.393 -7.026 1.00 0.00 C ATOM 1456 O PRO A 93 -2.861 12.087 -7.791 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.652 13.860 -7.760 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.111 13.870 -7.462 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.326 12.853 -6.373 1.00 0.00 C ATOM 0 HA PRO A 93 -5.224 11.791 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.111 14.551 -7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.456 14.166 -8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.435 14.859 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.691 13.618 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.349 13.319 -5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.272 12.326 -6.498 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.584 12.732 -5.747 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.256 12.767 -5.126 1.00 0.00 C ATOM 1469 C ALA A 94 -1.707 14.190 -5.098 1.00 0.00 C ATOM 1470 O ALA A 94 -0.507 14.407 -5.261 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.269 11.843 -5.836 1.00 0.00 C ATOM 0 H ALA A 94 -4.342 12.989 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.374 12.410 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.298 11.900 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.637 10.818 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.166 12.151 -6.877 1.00 0.00 H new