USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 821 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 81 ASN :FLIP amide:sc= 0.0273 F(o=-0.78,f=0.45) USER MOD Set 1.2: A 106 TYR OH : rot 25:sc= 0.42 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0243) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -1.46 (180deg=-1.75) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.0799 (180deg=-1.36!) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.118 (180deg=-0.591) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 50:sc= -4.96! USER MOD Single : A 53 SER OG : rot 130:sc= -1.34! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0193 F(o=-0.84,f=-0.019) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= -0.018 (180deg=-0.557) USER MOD Single : A 69 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.69) USER MOD Single : A 82 ASN : amide:sc= -0.271 K(o=-0.27,f=-3.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 88 SER OG : rot 180:sc= -1.08 USER MOD Single : A 90 THR OG1 : rot -90:sc= -2.41! USER MOD Single : A 91 MET CE :methyl -173:sc= -1.94 (180deg=-2.2) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot -100:sc= -2.66! USER MOD Single : A 96 GLN : amide:sc= -0.443 K(o=-0.44,f=-4.1!) USER MOD Single : A 98 HIS : no HD1:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : A 99 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 109 TYR OH : rot -70:sc= -3.75! USER MOD Single : A 110 SER OG : rot -170:sc= -2.77! USER MOD Single : A 113 SER OG : rot -51:sc= 0.206 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -5.542 16.044 10.217 1.00 0.00 N ATOM 2 CA GLY A 18 -4.909 15.893 8.876 1.00 0.00 C ATOM 3 C GLY A 18 -4.327 17.236 8.432 1.00 0.00 C ATOM 4 O GLY A 18 -3.234 17.307 7.907 1.00 0.00 O ATOM 0 HA2 GLY A 18 -4.123 15.139 8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.646 15.547 8.151 1.00 0.00 H new ATOM 8 N GLU A 19 -5.049 18.303 8.640 1.00 0.00 N ATOM 9 CA GLU A 19 -4.536 19.642 8.231 1.00 0.00 C ATOM 10 C GLU A 19 -3.084 19.812 8.683 1.00 0.00 C ATOM 11 O GLU A 19 -2.315 20.532 8.077 1.00 0.00 O ATOM 12 CB GLU A 19 -5.441 20.648 8.944 1.00 0.00 C ATOM 13 CG GLU A 19 -6.565 21.083 8.001 1.00 0.00 C ATOM 14 CD GLU A 19 -7.343 19.852 7.533 1.00 0.00 C ATOM 15 OE1 GLU A 19 -6.732 18.979 6.940 1.00 0.00 O ATOM 16 OE2 GLU A 19 -8.538 19.804 7.778 1.00 0.00 O ATOM 0 H GLU A 19 -5.971 18.306 9.075 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.550 19.777 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.861 20.201 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.861 21.515 9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.234 21.777 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.150 21.612 7.143 1.00 0.00 H new ATOM 23 N LYS A 20 -2.703 19.154 9.744 1.00 0.00 N ATOM 24 CA LYS A 20 -1.300 19.279 10.234 1.00 0.00 C ATOM 25 C LYS A 20 -0.357 18.450 9.358 1.00 0.00 C ATOM 26 O LYS A 20 0.733 18.873 9.029 1.00 0.00 O ATOM 27 CB LYS A 20 -1.330 18.731 11.661 1.00 0.00 C ATOM 28 CG LYS A 20 -0.264 19.438 12.502 1.00 0.00 C ATOM 29 CD LYS A 20 -0.936 20.452 13.429 1.00 0.00 C ATOM 30 CE LYS A 20 -1.190 19.809 14.795 1.00 0.00 C ATOM 31 NZ LYS A 20 -1.947 20.834 15.566 1.00 0.00 N ATOM 0 H LYS A 20 -3.301 18.536 10.292 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.940 20.307 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.316 18.885 12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.148 17.656 11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.295 18.708 13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.452 19.942 11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.303 21.332 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.877 20.790 12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.762 18.886 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.254 19.553 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.159 20.467 16.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.375 21.699 15.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.836 21.053 15.073 1.00 0.00 H new ATOM 45 N ILE A 21 -0.768 17.272 8.977 1.00 0.00 N ATOM 46 CA ILE A 21 0.107 16.419 8.121 1.00 0.00 C ATOM 47 C ILE A 21 0.334 17.088 6.763 1.00 0.00 C ATOM 48 O ILE A 21 1.210 16.708 6.011 1.00 0.00 O ATOM 49 CB ILE A 21 -0.662 15.108 7.951 1.00 0.00 C ATOM 50 CG1 ILE A 21 -0.655 14.332 9.272 1.00 0.00 C ATOM 51 CG2 ILE A 21 0.004 14.262 6.864 1.00 0.00 C ATOM 52 CD1 ILE A 21 0.774 14.250 9.811 1.00 0.00 C ATOM 0 H ILE A 21 -1.670 16.863 9.220 1.00 0.00 H new ATOM 0 HA ILE A 21 1.090 16.261 8.565 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.690 15.329 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.301 14.825 9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.055 13.330 9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.544 13.328 6.743 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.001 14.810 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.033 14.044 7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.777 13.698 10.751 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.407 13.738 9.087 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.157 15.256 9.980 1.00 0.00 H new ATOM 64 N ARG A 22 -0.450 18.082 6.441 1.00 0.00 N ATOM 65 CA ARG A 22 -0.278 18.772 5.130 1.00 0.00 C ATOM 66 C ARG A 22 0.721 19.920 5.266 1.00 0.00 C ATOM 67 O ARG A 22 1.672 20.016 4.517 1.00 0.00 O ATOM 68 CB ARG A 22 -1.669 19.301 4.780 1.00 0.00 C ATOM 69 CG ARG A 22 -2.494 18.182 4.137 1.00 0.00 C ATOM 70 CD ARG A 22 -2.289 16.878 4.915 1.00 0.00 C ATOM 71 NE ARG A 22 -3.002 15.842 4.120 1.00 0.00 N ATOM 72 CZ ARG A 22 -2.321 14.958 3.445 1.00 0.00 C ATOM 73 NH1 ARG A 22 -1.574 15.333 2.444 1.00 0.00 N ATOM 74 NH2 ARG A 22 -2.387 13.699 3.773 1.00 0.00 N ATOM 0 H ARG A 22 -1.201 18.445 7.028 1.00 0.00 H new ATOM 0 HA ARG A 22 0.110 18.108 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.168 19.665 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.587 20.146 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.550 18.452 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.195 18.048 3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.230 16.640 5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.696 16.951 5.924 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.022 15.823 4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.522 16.319 2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.042 14.640 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.971 13.406 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.855 13.006 3.246 1.00 0.00 H new ATOM 86 N LYS A 23 0.519 20.787 6.218 1.00 0.00 N ATOM 87 CA LYS A 23 1.472 21.917 6.396 1.00 0.00 C ATOM 88 C LYS A 23 2.901 21.376 6.425 1.00 0.00 C ATOM 89 O LYS A 23 3.805 21.935 5.837 1.00 0.00 O ATOM 90 CB LYS A 23 1.105 22.540 7.744 1.00 0.00 C ATOM 91 CG LYS A 23 0.314 23.829 7.512 1.00 0.00 C ATOM 92 CD LYS A 23 -0.368 24.249 8.815 1.00 0.00 C ATOM 93 CE LYS A 23 -1.863 24.460 8.564 1.00 0.00 C ATOM 94 NZ LYS A 23 -2.105 25.897 8.874 1.00 0.00 N ATOM 0 H LYS A 23 -0.259 20.763 6.877 1.00 0.00 H new ATOM 0 HA LYS A 23 1.415 22.647 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.513 21.838 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.008 22.753 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.980 24.620 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.431 23.676 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.221 23.484 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.081 25.167 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.127 24.229 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.466 23.812 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.110 26.120 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.851 26.086 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.523 26.490 8.248 1.00 0.00 H new ATOM 108 N LYS A 24 3.108 20.282 7.106 1.00 0.00 N ATOM 109 CA LYS A 24 4.472 19.689 7.181 1.00 0.00 C ATOM 110 C LYS A 24 4.719 18.783 5.971 1.00 0.00 C ATOM 111 O LYS A 24 5.733 18.879 5.309 1.00 0.00 O ATOM 112 CB LYS A 24 4.491 18.866 8.473 1.00 0.00 C ATOM 113 CG LYS A 24 3.717 19.602 9.570 1.00 0.00 C ATOM 114 CD LYS A 24 4.422 19.410 10.914 1.00 0.00 C ATOM 115 CE LYS A 24 5.678 20.283 10.962 1.00 0.00 C ATOM 116 NZ LYS A 24 5.200 21.616 11.422 1.00 0.00 N ATOM 0 H LYS A 24 2.387 19.772 7.616 1.00 0.00 H new ATOM 0 HA LYS A 24 5.249 20.454 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.047 17.886 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.519 18.697 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.650 20.664 9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.697 19.223 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.750 19.676 11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.689 18.362 11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.420 19.871 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.151 20.349 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.817 22.358 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.226 21.768 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.223 21.653 12.461 1.00 0.00 H new ATOM 130 N TYR A 25 3.804 17.896 5.684 1.00 0.00 N ATOM 131 CA TYR A 25 3.996 16.982 4.526 1.00 0.00 C ATOM 132 C TYR A 25 2.910 17.218 3.472 1.00 0.00 C ATOM 133 O TYR A 25 2.101 16.350 3.209 1.00 0.00 O ATOM 134 CB TYR A 25 3.871 15.578 5.116 1.00 0.00 C ATOM 135 CG TYR A 25 4.665 15.490 6.398 1.00 0.00 C ATOM 136 CD1 TYR A 25 6.054 15.659 6.374 1.00 0.00 C ATOM 137 CD2 TYR A 25 4.010 15.238 7.610 1.00 0.00 C ATOM 138 CE1 TYR A 25 6.789 15.575 7.564 1.00 0.00 C ATOM 139 CE2 TYR A 25 4.744 15.156 8.798 1.00 0.00 C ATOM 140 CZ TYR A 25 6.134 15.324 8.775 1.00 0.00 C ATOM 141 OH TYR A 25 6.859 15.242 9.948 1.00 0.00 O ATOM 0 H TYR A 25 2.935 17.767 6.201 1.00 0.00 H new ATOM 0 HA TYR A 25 4.954 17.139 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.824 15.347 5.309 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.234 14.839 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.559 15.854 5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.938 15.107 7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.861 15.704 7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.239 14.963 9.733 1.00 0.00 H new ATOM 0 HH TYR A 25 6.252 15.064 10.696 1.00 0.00 H new ATOM 151 N PRO A 26 2.929 18.392 2.900 1.00 0.00 N ATOM 152 CA PRO A 26 1.930 18.746 1.865 1.00 0.00 C ATOM 153 C PRO A 26 2.230 18.003 0.562 1.00 0.00 C ATOM 154 O PRO A 26 1.453 18.025 -0.373 1.00 0.00 O ATOM 155 CB PRO A 26 2.110 20.252 1.691 1.00 0.00 C ATOM 156 CG PRO A 26 3.515 20.525 2.124 1.00 0.00 C ATOM 157 CD PRO A 26 3.872 19.486 3.157 1.00 0.00 C ATOM 0 HA PRO A 26 0.911 18.476 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.951 20.552 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.395 20.808 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.196 20.473 1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.601 21.528 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.905 19.156 3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.765 19.876 4.169 1.00 0.00 H new ATOM 165 N ASP A 27 3.350 17.341 0.497 1.00 0.00 N ATOM 166 CA ASP A 27 3.700 16.592 -0.741 1.00 0.00 C ATOM 167 C ASP A 27 3.872 15.106 -0.420 1.00 0.00 C ATOM 168 O ASP A 27 4.486 14.368 -1.166 1.00 0.00 O ATOM 169 CB ASP A 27 5.022 17.197 -1.212 1.00 0.00 C ATOM 170 CG ASP A 27 5.064 17.208 -2.741 1.00 0.00 C ATOM 171 OD1 ASP A 27 4.060 16.864 -3.344 1.00 0.00 O ATOM 172 OD2 ASP A 27 6.098 17.561 -3.284 1.00 0.00 O ATOM 0 H ASP A 27 4.039 17.286 1.248 1.00 0.00 H new ATOM 0 HA ASP A 27 2.926 16.667 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.127 18.212 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.859 16.619 -0.819 1.00 0.00 H new ATOM 177 N ARG A 28 3.337 14.659 0.685 1.00 0.00 N ATOM 178 CA ARG A 28 3.480 13.218 1.046 1.00 0.00 C ATOM 179 C ARG A 28 2.182 12.461 0.751 1.00 0.00 C ATOM 180 O ARG A 28 1.248 13.001 0.192 1.00 0.00 O ATOM 181 CB ARG A 28 3.775 13.206 2.546 1.00 0.00 C ATOM 182 CG ARG A 28 5.290 13.231 2.770 1.00 0.00 C ATOM 183 CD ARG A 28 5.817 14.652 2.555 1.00 0.00 C ATOM 184 NE ARG A 28 6.936 14.799 3.526 1.00 0.00 N ATOM 185 CZ ARG A 28 7.896 15.650 3.289 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.617 16.907 3.082 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.137 15.243 3.258 1.00 0.00 N ATOM 0 H ARG A 28 2.810 15.225 1.350 1.00 0.00 H new ATOM 0 HA ARG A 28 4.268 12.731 0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.312 14.068 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.344 12.316 3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.524 12.894 3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.781 12.542 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.162 14.794 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.038 15.393 2.735 1.00 0.00 H new ATOM 0 HE ARG A 28 6.952 14.235 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.648 17.225 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.368 17.572 2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.355 14.260 3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.887 15.908 3.073 1.00 0.00 H new ATOM 199 N VAL A 29 2.118 11.213 1.127 1.00 0.00 N ATOM 200 CA VAL A 29 0.884 10.414 0.873 1.00 0.00 C ATOM 201 C VAL A 29 0.679 9.389 1.995 1.00 0.00 C ATOM 202 O VAL A 29 1.364 8.384 2.052 1.00 0.00 O ATOM 203 CB VAL A 29 1.132 9.711 -0.464 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.148 8.548 -0.625 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.928 10.705 -1.611 1.00 0.00 C ATOM 0 H VAL A 29 2.869 10.710 1.600 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.012 11.034 0.843 1.00 0.00 H new ATOM 0 HB VAL A 29 2.153 9.331 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.327 8.049 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.289 7.837 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.873 8.929 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.105 10.204 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.093 11.085 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.627 11.534 -1.502 1.00 0.00 H new ATOM 215 N PRO A 30 -0.267 9.684 2.846 1.00 0.00 N ATOM 216 CA PRO A 30 -0.589 8.784 3.979 1.00 0.00 C ATOM 217 C PRO A 30 -1.390 7.575 3.484 1.00 0.00 C ATOM 218 O PRO A 30 -2.607 7.554 3.538 1.00 0.00 O ATOM 219 CB PRO A 30 -1.441 9.656 4.895 1.00 0.00 C ATOM 220 CG PRO A 30 -2.046 10.691 4.001 1.00 0.00 C ATOM 221 CD PRO A 30 -1.112 10.880 2.833 1.00 0.00 C ATOM 0 HA PRO A 30 0.295 8.385 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.211 9.068 5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.835 10.116 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.031 10.373 3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.183 11.629 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.661 10.969 1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.518 11.787 2.942 1.00 0.00 H new ATOM 229 N VAL A 31 -0.719 6.575 2.988 1.00 0.00 N ATOM 230 CA VAL A 31 -1.431 5.376 2.478 1.00 0.00 C ATOM 231 C VAL A 31 -1.811 4.438 3.629 1.00 0.00 C ATOM 232 O VAL A 31 -1.170 4.410 4.660 1.00 0.00 O ATOM 233 CB VAL A 31 -0.430 4.694 1.537 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.327 5.743 0.719 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.576 3.860 2.338 1.00 0.00 C ATOM 0 H VAL A 31 0.298 6.538 2.914 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.360 5.638 1.972 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.986 4.040 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.034 5.246 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.381 6.323 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.867 6.409 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.279 3.383 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.121 4.508 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.045 3.095 2.905 1.00 0.00 H new ATOM 245 N ILE A 32 -2.836 3.653 3.446 1.00 0.00 N ATOM 246 CA ILE A 32 -3.243 2.693 4.511 1.00 0.00 C ATOM 247 C ILE A 32 -2.961 1.273 4.026 1.00 0.00 C ATOM 248 O ILE A 32 -2.778 1.040 2.847 1.00 0.00 O ATOM 249 CB ILE A 32 -4.742 2.912 4.715 1.00 0.00 C ATOM 250 CG1 ILE A 32 -4.979 4.316 5.275 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.278 1.874 5.701 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.401 4.406 6.688 1.00 0.00 C ATOM 0 H ILE A 32 -3.411 3.635 2.603 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.700 2.841 5.444 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.259 2.808 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.510 5.060 4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.046 4.537 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.347 2.029 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.108 0.873 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.762 1.979 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.570 5.406 7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.890 3.672 7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.330 4.204 6.657 1.00 0.00 H new ATOM 264 N VAL A 33 -2.904 0.322 4.913 1.00 0.00 N ATOM 265 CA VAL A 33 -2.607 -1.064 4.470 1.00 0.00 C ATOM 266 C VAL A 33 -3.548 -2.072 5.138 1.00 0.00 C ATOM 267 O VAL A 33 -3.930 -1.933 6.283 1.00 0.00 O ATOM 268 CB VAL A 33 -1.151 -1.290 4.889 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.878 -2.781 5.091 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.229 -0.750 3.794 1.00 0.00 C ATOM 0 H VAL A 33 -3.049 0.443 5.915 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.752 -1.200 3.398 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.965 -0.770 5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.161 -2.924 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.535 -3.169 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.065 -3.315 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.810 -0.906 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.428 -1.274 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.411 0.316 3.658 1.00 0.00 H new ATOM 280 N GLU A 34 -3.906 -3.091 4.411 1.00 0.00 N ATOM 281 CA GLU A 34 -4.810 -4.142 4.952 1.00 0.00 C ATOM 282 C GLU A 34 -4.594 -5.441 4.169 1.00 0.00 C ATOM 283 O GLU A 34 -3.812 -5.486 3.239 1.00 0.00 O ATOM 284 CB GLU A 34 -6.227 -3.607 4.731 1.00 0.00 C ATOM 285 CG GLU A 34 -7.006 -3.663 6.046 1.00 0.00 C ATOM 286 CD GLU A 34 -8.408 -4.215 5.787 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.565 -4.955 4.830 1.00 0.00 O ATOM 288 OE2 GLU A 34 -9.303 -3.889 6.550 1.00 0.00 O ATOM 0 H GLU A 34 -3.605 -3.243 3.448 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.627 -4.357 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.186 -2.582 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.736 -4.198 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.482 -4.294 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.071 -2.667 6.485 1.00 0.00 H new ATOM 295 N LYS A 35 -5.272 -6.494 4.524 1.00 0.00 N ATOM 296 CA LYS A 35 -5.082 -7.772 3.780 1.00 0.00 C ATOM 297 C LYS A 35 -6.379 -8.195 3.095 1.00 0.00 C ATOM 298 O LYS A 35 -7.461 -7.805 3.486 1.00 0.00 O ATOM 299 CB LYS A 35 -4.685 -8.801 4.836 1.00 0.00 C ATOM 300 CG LYS A 35 -3.363 -9.457 4.435 1.00 0.00 C ATOM 301 CD LYS A 35 -2.271 -8.389 4.345 1.00 0.00 C ATOM 302 CE LYS A 35 -2.254 -7.569 5.637 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.151 -8.575 6.730 1.00 0.00 N ATOM 0 H LYS A 35 -5.945 -6.528 5.290 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.328 -7.673 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.584 -8.320 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.464 -9.557 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.085 -10.216 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.472 -9.963 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.300 -8.858 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.454 -7.738 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.411 -6.879 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.159 -6.970 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.947 -8.092 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.049 -9.093 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.384 -9.244 6.515 1.00 0.00 H new ATOM 317 N ALA A 36 -6.273 -9.002 2.079 1.00 0.00 N ATOM 318 CA ALA A 36 -7.494 -9.474 1.366 1.00 0.00 C ATOM 319 C ALA A 36 -8.332 -10.333 2.315 1.00 0.00 C ATOM 320 O ALA A 36 -8.015 -10.443 3.483 1.00 0.00 O ATOM 321 CB ALA A 36 -6.969 -10.305 0.193 1.00 0.00 C ATOM 0 H ALA A 36 -5.391 -9.357 1.709 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.130 -8.658 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.809 -10.691 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.346 -9.679 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.377 -11.138 0.573 1.00 0.00 H new ATOM 327 N PRO A 37 -9.373 -10.924 1.793 1.00 0.00 N ATOM 328 CA PRO A 37 -10.240 -11.782 2.632 1.00 0.00 C ATOM 329 C PRO A 37 -9.504 -13.077 2.981 1.00 0.00 C ATOM 330 O PRO A 37 -9.341 -13.953 2.157 1.00 0.00 O ATOM 331 CB PRO A 37 -11.455 -12.046 1.748 1.00 0.00 C ATOM 332 CG PRO A 37 -10.961 -11.867 0.349 1.00 0.00 C ATOM 333 CD PRO A 37 -9.840 -10.860 0.402 1.00 0.00 C ATOM 0 HA PRO A 37 -10.520 -11.327 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.845 -13.052 1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.265 -11.352 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.609 -12.814 -0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.763 -11.517 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.044 -11.111 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.189 -9.860 0.143 1.00 0.00 H new ATOM 341 N LYS A 38 -9.053 -13.197 4.199 1.00 0.00 N ATOM 342 CA LYS A 38 -8.319 -14.424 4.609 1.00 0.00 C ATOM 343 C LYS A 38 -7.021 -14.560 3.808 1.00 0.00 C ATOM 344 O LYS A 38 -6.648 -15.639 3.390 1.00 0.00 O ATOM 345 CB LYS A 38 -9.275 -15.572 4.295 1.00 0.00 C ATOM 346 CG LYS A 38 -9.746 -16.211 5.602 1.00 0.00 C ATOM 347 CD LYS A 38 -8.530 -16.613 6.440 1.00 0.00 C ATOM 348 CE LYS A 38 -8.865 -17.861 7.259 1.00 0.00 C ATOM 349 NZ LYS A 38 -10.196 -17.578 7.864 1.00 0.00 N ATOM 0 H LYS A 38 -9.162 -12.494 4.930 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.034 -14.407 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.130 -15.203 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.777 -16.315 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.369 -15.510 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.361 -17.086 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.677 -16.809 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.245 -15.796 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.899 -18.750 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.113 -18.043 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.289 -18.101 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.284 -16.558 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.946 -17.877 7.208 1.00 0.00 H new ATOM 363 N ALA A 39 -6.327 -13.474 3.592 1.00 0.00 N ATOM 364 CA ALA A 39 -5.051 -13.546 2.821 1.00 0.00 C ATOM 365 C ALA A 39 -4.113 -14.570 3.464 1.00 0.00 C ATOM 366 O ALA A 39 -4.459 -15.219 4.429 1.00 0.00 O ATOM 367 CB ALA A 39 -4.454 -12.141 2.910 1.00 0.00 C ATOM 0 H ALA A 39 -6.588 -12.542 3.915 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.205 -13.856 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.510 -12.112 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.148 -11.423 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.278 -11.886 3.955 1.00 0.00 H new ATOM 373 N ARG A 40 -2.928 -14.725 2.937 1.00 0.00 N ATOM 374 CA ARG A 40 -1.984 -15.716 3.529 1.00 0.00 C ATOM 375 C ARG A 40 -0.538 -15.215 3.445 1.00 0.00 C ATOM 376 O ARG A 40 0.393 -15.996 3.415 1.00 0.00 O ATOM 377 CB ARG A 40 -2.162 -16.981 2.690 1.00 0.00 C ATOM 378 CG ARG A 40 -1.508 -16.786 1.322 1.00 0.00 C ATOM 379 CD ARG A 40 -2.075 -17.809 0.336 1.00 0.00 C ATOM 380 NE ARG A 40 -1.740 -19.134 0.927 1.00 0.00 N ATOM 381 CZ ARG A 40 -0.821 -19.880 0.376 1.00 0.00 C ATOM 382 NH1 ARG A 40 -1.025 -20.403 -0.803 1.00 0.00 N ATOM 383 NH2 ARG A 40 0.300 -20.105 1.005 1.00 0.00 N ATOM 0 H ARG A 40 -2.575 -14.213 2.129 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.189 -15.889 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.714 -17.834 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.222 -17.203 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.692 -15.775 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.427 -16.903 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.152 -17.690 0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.631 -17.693 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.228 -19.459 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.902 -20.229 -1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.307 -20.986 -1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.458 -19.698 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.018 -20.688 0.575 1.00 0.00 H new ATOM 395 N ILE A 41 -0.334 -13.926 3.413 1.00 0.00 N ATOM 396 CA ILE A 41 1.057 -13.404 3.339 1.00 0.00 C ATOM 397 C ILE A 41 1.640 -13.307 4.754 1.00 0.00 C ATOM 398 O ILE A 41 1.006 -13.682 5.721 1.00 0.00 O ATOM 399 CB ILE A 41 0.948 -12.017 2.673 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.697 -10.930 3.727 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.196 -12.005 1.654 1.00 0.00 C ATOM 402 CD1 ILE A 41 -0.615 -11.189 4.463 1.00 0.00 C ATOM 0 H ILE A 41 -1.067 -13.217 3.435 1.00 0.00 H new ATOM 0 HA ILE A 41 1.720 -14.052 2.766 1.00 0.00 H new ATOM 0 HB ILE A 41 1.890 -11.812 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.522 -10.909 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.665 -9.952 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.261 -11.020 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.007 -12.755 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.135 -12.232 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.776 -10.408 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.439 -11.186 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.568 -12.158 4.960 1.00 0.00 H new ATOM 414 N GLY A 42 2.839 -12.817 4.886 1.00 0.00 N ATOM 415 CA GLY A 42 3.450 -12.709 6.241 1.00 0.00 C ATOM 416 C GLY A 42 2.619 -11.763 7.111 1.00 0.00 C ATOM 417 O GLY A 42 1.719 -11.098 6.638 1.00 0.00 O ATOM 0 H GLY A 42 3.423 -12.487 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.502 -13.694 6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.472 -12.340 6.160 1.00 0.00 H new ATOM 421 N ASP A 43 2.916 -11.698 8.380 1.00 0.00 N ATOM 422 CA ASP A 43 2.146 -10.794 9.283 1.00 0.00 C ATOM 423 C ASP A 43 2.567 -9.341 9.052 1.00 0.00 C ATOM 424 O ASP A 43 3.379 -9.051 8.197 1.00 0.00 O ATOM 425 CB ASP A 43 2.512 -11.240 10.698 1.00 0.00 C ATOM 426 CG ASP A 43 1.348 -10.946 11.645 1.00 0.00 C ATOM 427 OD1 ASP A 43 0.275 -11.482 11.417 1.00 0.00 O ATOM 428 OD2 ASP A 43 1.547 -10.189 12.581 1.00 0.00 O ATOM 0 H ASP A 43 3.659 -12.232 8.831 1.00 0.00 H new ATOM 0 HA ASP A 43 1.072 -10.848 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.741 -12.306 10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.408 -10.719 11.034 1.00 0.00 H new ATOM 433 N LEU A 44 2.023 -8.423 9.806 1.00 0.00 N ATOM 434 CA LEU A 44 2.397 -6.990 9.617 1.00 0.00 C ATOM 435 C LEU A 44 2.565 -6.290 10.966 1.00 0.00 C ATOM 436 O LEU A 44 1.732 -6.398 11.844 1.00 0.00 O ATOM 437 CB LEU A 44 1.228 -6.368 8.856 1.00 0.00 C ATOM 438 CG LEU A 44 1.599 -6.175 7.385 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.873 -5.334 7.277 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.827 -7.539 6.730 1.00 0.00 C ATOM 0 H LEU A 44 1.339 -8.602 10.541 1.00 0.00 H new ATOM 0 HA LEU A 44 3.343 -6.891 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.350 -7.009 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.964 -5.409 9.301 1.00 0.00 H new ATOM 0 HG LEU A 44 0.785 -5.660 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.132 -5.200 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.706 -4.360 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.689 -5.842 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.091 -7.400 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.637 -8.058 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.915 -8.132 6.798 1.00 0.00 H new ATOM 452 N ASP A 45 3.628 -5.551 11.125 1.00 0.00 N ATOM 453 CA ASP A 45 3.844 -4.817 12.405 1.00 0.00 C ATOM 454 C ASP A 45 3.136 -3.462 12.332 1.00 0.00 C ATOM 455 O ASP A 45 2.821 -2.852 13.334 1.00 0.00 O ATOM 456 CB ASP A 45 5.359 -4.632 12.514 1.00 0.00 C ATOM 457 CG ASP A 45 5.835 -5.134 13.878 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.007 -6.333 14.020 1.00 0.00 O ATOM 459 OD2 ASP A 45 6.020 -4.309 14.759 1.00 0.00 O ATOM 0 H ASP A 45 4.357 -5.423 10.424 1.00 0.00 H new ATOM 0 HA ASP A 45 3.448 -5.349 13.270 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.862 -5.180 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.618 -3.580 12.391 1.00 0.00 H new ATOM 464 N LYS A 46 2.885 -2.993 11.138 1.00 0.00 N ATOM 465 CA LYS A 46 2.199 -1.685 10.959 1.00 0.00 C ATOM 466 C LYS A 46 1.426 -1.701 9.636 1.00 0.00 C ATOM 467 O LYS A 46 1.835 -2.330 8.681 1.00 0.00 O ATOM 468 CB LYS A 46 3.302 -0.613 10.916 1.00 0.00 C ATOM 469 CG LYS A 46 4.699 -1.244 10.823 1.00 0.00 C ATOM 470 CD LYS A 46 4.883 -1.877 9.443 1.00 0.00 C ATOM 471 CE LYS A 46 5.649 -3.194 9.584 1.00 0.00 C ATOM 472 NZ LYS A 46 7.007 -2.800 10.051 1.00 0.00 N ATOM 0 H LYS A 46 3.130 -3.469 10.270 1.00 0.00 H new ATOM 0 HA LYS A 46 1.494 -1.483 11.766 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.140 0.042 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.241 0.009 11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.464 -0.486 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.821 -1.999 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.912 -2.056 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.427 -1.196 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.163 -3.859 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.697 -3.727 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.679 -3.568 9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.309 -1.938 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.983 -2.618 11.075 1.00 0.00 H new ATOM 486 N LYS A 47 0.314 -1.018 9.564 1.00 0.00 N ATOM 487 CA LYS A 47 -0.464 -1.013 8.289 1.00 0.00 C ATOM 488 C LYS A 47 -0.669 0.421 7.802 1.00 0.00 C ATOM 489 O LYS A 47 -1.761 0.825 7.459 1.00 0.00 O ATOM 490 CB LYS A 47 -1.803 -1.685 8.619 1.00 0.00 C ATOM 491 CG LYS A 47 -2.649 -0.786 9.528 1.00 0.00 C ATOM 492 CD LYS A 47 -2.368 -1.132 10.992 1.00 0.00 C ATOM 493 CE LYS A 47 -3.388 -2.165 11.476 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.900 -1.624 12.766 1.00 0.00 N ATOM 0 H LYS A 47 -0.087 -0.468 10.324 1.00 0.00 H new ATOM 0 HA LYS A 47 0.054 -1.543 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.347 -1.895 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.625 -2.642 9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.416 0.262 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.708 -0.922 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.357 -1.527 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.424 -0.234 11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.194 -2.293 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.925 -3.142 11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.606 -2.278 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.111 -1.520 13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.341 -0.696 12.603 1.00 0.00 H new ATOM 508 N LYS A 48 0.379 1.190 7.763 1.00 0.00 N ATOM 509 CA LYS A 48 0.252 2.599 7.290 1.00 0.00 C ATOM 510 C LYS A 48 1.611 3.121 6.821 1.00 0.00 C ATOM 511 O LYS A 48 2.499 3.361 7.614 1.00 0.00 O ATOM 512 CB LYS A 48 -0.234 3.386 8.508 1.00 0.00 C ATOM 513 CG LYS A 48 0.572 2.970 9.740 1.00 0.00 C ATOM 514 CD LYS A 48 0.374 4.002 10.852 1.00 0.00 C ATOM 515 CE LYS A 48 1.409 3.767 11.954 1.00 0.00 C ATOM 516 NZ LYS A 48 0.823 2.698 12.810 1.00 0.00 N ATOM 0 H LYS A 48 1.320 0.907 8.038 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.433 2.692 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.122 4.456 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.295 3.200 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.252 1.986 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.629 2.891 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.477 5.010 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.633 3.923 11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.367 3.458 11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.590 4.677 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.476 2.481 13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.085 3.023 13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.668 1.842 12.240 1.00 0.00 H new ATOM 530 N TYR A 49 1.784 3.301 5.537 1.00 0.00 N ATOM 531 CA TYR A 49 3.093 3.808 5.036 1.00 0.00 C ATOM 532 C TYR A 49 2.983 5.285 4.657 1.00 0.00 C ATOM 533 O TYR A 49 1.981 5.736 4.142 1.00 0.00 O ATOM 534 CB TYR A 49 3.413 2.975 3.794 1.00 0.00 C ATOM 535 CG TYR A 49 3.723 1.555 4.194 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.710 0.732 4.689 1.00 0.00 C ATOM 537 CD2 TYR A 49 5.028 1.066 4.073 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.997 -0.585 5.068 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.319 -0.251 4.450 1.00 0.00 C ATOM 540 CZ TYR A 49 4.303 -1.077 4.949 1.00 0.00 C ATOM 541 OH TYR A 49 4.589 -2.375 5.322 1.00 0.00 O ATOM 0 H TYR A 49 1.081 3.120 4.820 1.00 0.00 H new ATOM 0 HA TYR A 49 3.870 3.723 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.567 2.992 3.106 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.263 3.407 3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.703 1.112 4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.811 1.704 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.213 -1.221 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.326 -0.630 4.356 1.00 0.00 H new ATOM 0 HH TYR A 49 3.945 -2.985 4.905 1.00 0.00 H new ATOM 551 N LEU A 50 4.022 6.029 4.894 1.00 0.00 N ATOM 552 CA LEU A 50 4.012 7.474 4.535 1.00 0.00 C ATOM 553 C LEU A 50 5.054 7.711 3.444 1.00 0.00 C ATOM 554 O LEU A 50 6.241 7.726 3.703 1.00 0.00 O ATOM 555 CB LEU A 50 4.392 8.212 5.819 1.00 0.00 C ATOM 556 CG LEU A 50 3.469 9.417 6.009 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.238 8.997 6.814 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.218 10.519 6.763 1.00 0.00 C ATOM 0 H LEU A 50 4.885 5.698 5.324 1.00 0.00 H new ATOM 0 HA LEU A 50 3.048 7.816 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.311 7.541 6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.430 8.540 5.768 1.00 0.00 H new ATOM 0 HG LEU A 50 3.155 9.790 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.581 9.856 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.704 8.212 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.551 8.623 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.561 11.378 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.532 10.145 7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.095 10.820 6.190 1.00 0.00 H new ATOM 570 N VAL A 51 4.629 7.870 2.223 1.00 0.00 N ATOM 571 CA VAL A 51 5.619 8.075 1.128 1.00 0.00 C ATOM 572 C VAL A 51 5.264 9.307 0.294 1.00 0.00 C ATOM 573 O VAL A 51 4.138 9.758 0.299 1.00 0.00 O ATOM 574 CB VAL A 51 5.533 6.803 0.283 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.530 5.575 1.201 1.00 0.00 C ATOM 576 CG2 VAL A 51 4.245 6.825 -0.542 1.00 0.00 C ATOM 0 H VAL A 51 3.650 7.867 1.936 1.00 0.00 H new ATOM 0 HA VAL A 51 6.625 8.248 1.511 1.00 0.00 H new ATOM 0 HB VAL A 51 6.393 6.754 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.469 4.670 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.448 5.558 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.671 5.623 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.183 5.919 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.386 6.876 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.247 7.696 -1.197 1.00 0.00 H new ATOM 586 N PRO A 52 6.252 9.810 -0.393 1.00 0.00 N ATOM 587 CA PRO A 52 6.059 11.010 -1.243 1.00 0.00 C ATOM 588 C PRO A 52 5.206 10.667 -2.472 1.00 0.00 C ATOM 589 O PRO A 52 5.233 9.562 -2.972 1.00 0.00 O ATOM 590 CB PRO A 52 7.483 11.399 -1.636 1.00 0.00 C ATOM 591 CG PRO A 52 8.273 10.135 -1.528 1.00 0.00 C ATOM 592 CD PRO A 52 7.630 9.309 -0.446 1.00 0.00 C ATOM 0 HA PRO A 52 5.532 11.820 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.517 11.800 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.879 12.169 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.273 9.597 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.313 10.349 -1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.660 8.246 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.139 9.436 0.510 1.00 0.00 H new ATOM 600 N SER A 53 4.436 11.610 -2.943 1.00 0.00 N ATOM 601 CA SER A 53 3.558 11.358 -4.123 1.00 0.00 C ATOM 602 C SER A 53 4.384 11.031 -5.372 1.00 0.00 C ATOM 603 O SER A 53 3.874 10.520 -6.348 1.00 0.00 O ATOM 604 CB SER A 53 2.799 12.671 -4.318 1.00 0.00 C ATOM 605 OG SER A 53 2.842 13.046 -5.689 1.00 0.00 O ATOM 0 H SER A 53 4.377 12.553 -2.558 1.00 0.00 H new ATOM 0 HA SER A 53 2.897 10.506 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.765 12.557 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.242 13.454 -3.702 1.00 0.00 H new ATOM 0 HG SER A 53 1.936 13.254 -6.000 1.00 0.00 H new ATOM 611 N ASP A 54 5.647 11.339 -5.358 1.00 0.00 N ATOM 612 CA ASP A 54 6.495 11.063 -6.555 1.00 0.00 C ATOM 613 C ASP A 54 6.992 9.611 -6.564 1.00 0.00 C ATOM 614 O ASP A 54 7.556 9.152 -7.537 1.00 0.00 O ATOM 615 CB ASP A 54 7.673 12.030 -6.433 1.00 0.00 C ATOM 616 CG ASP A 54 8.118 12.470 -7.828 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.436 11.605 -8.627 1.00 0.00 O ATOM 618 OD2 ASP A 54 8.133 13.664 -8.074 1.00 0.00 O ATOM 0 H ASP A 54 6.133 11.770 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 54 5.938 11.199 -7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.385 12.898 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.500 11.549 -5.911 1.00 0.00 H new ATOM 623 N LEU A 55 6.802 8.883 -5.496 1.00 0.00 N ATOM 624 CA LEU A 55 7.287 7.469 -5.477 1.00 0.00 C ATOM 625 C LEU A 55 6.590 6.640 -6.551 1.00 0.00 C ATOM 626 O LEU A 55 5.407 6.774 -6.792 1.00 0.00 O ATOM 627 CB LEU A 55 6.921 6.910 -4.103 1.00 0.00 C ATOM 628 CG LEU A 55 8.165 6.819 -3.224 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.852 5.955 -2.002 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.316 6.174 -4.001 1.00 0.00 C ATOM 0 H LEU A 55 6.338 9.200 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 55 8.359 7.431 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.177 7.550 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.470 5.923 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 55 8.456 7.823 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.737 5.886 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.036 6.406 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.560 4.957 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.198 6.115 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.027 5.171 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.544 6.777 -4.880 1.00 0.00 H new ATOM 642 N THR A 56 7.316 5.764 -7.179 1.00 0.00 N ATOM 643 CA THR A 56 6.707 4.897 -8.223 1.00 0.00 C ATOM 644 C THR A 56 6.204 3.599 -7.583 1.00 0.00 C ATOM 645 O THR A 56 6.668 3.193 -6.534 1.00 0.00 O ATOM 646 CB THR A 56 7.836 4.609 -9.214 1.00 0.00 C ATOM 647 OG1 THR A 56 9.034 4.339 -8.501 1.00 0.00 O ATOM 648 CG2 THR A 56 8.041 5.823 -10.121 1.00 0.00 C ATOM 0 H THR A 56 8.311 5.609 -7.014 1.00 0.00 H new ATOM 0 HA THR A 56 5.855 5.368 -8.714 1.00 0.00 H new ATOM 0 HB THR A 56 7.574 3.743 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.757 4.153 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.846 5.618 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.121 6.028 -10.669 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.303 6.690 -9.515 1.00 0.00 H new ATOM 656 N VAL A 57 5.262 2.945 -8.202 1.00 0.00 N ATOM 657 CA VAL A 57 4.737 1.676 -7.623 1.00 0.00 C ATOM 658 C VAL A 57 5.891 0.702 -7.357 1.00 0.00 C ATOM 659 O VAL A 57 5.794 -0.173 -6.521 1.00 0.00 O ATOM 660 CB VAL A 57 3.796 1.117 -8.689 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.270 -0.248 -8.243 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.619 2.076 -8.882 1.00 0.00 C ATOM 0 H VAL A 57 4.833 3.233 -9.082 1.00 0.00 H new ATOM 0 HA VAL A 57 4.228 1.832 -6.672 1.00 0.00 H new ATOM 0 HB VAL A 57 4.337 1.008 -9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.599 -0.646 -9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.107 -0.932 -8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.729 -0.140 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.947 1.679 -9.642 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.079 2.184 -7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.991 3.050 -9.200 1.00 0.00 H new ATOM 672 N GLY A 58 6.979 0.848 -8.064 1.00 0.00 N ATOM 673 CA GLY A 58 8.136 -0.071 -7.854 1.00 0.00 C ATOM 674 C GLY A 58 8.798 0.221 -6.502 1.00 0.00 C ATOM 675 O GLY A 58 9.223 -0.678 -5.804 1.00 0.00 O ATOM 0 H GLY A 58 7.117 1.563 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.799 -1.107 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.861 0.054 -8.658 1.00 0.00 H new ATOM 679 N GLN A 59 8.890 1.468 -6.127 1.00 0.00 N ATOM 680 CA GLN A 59 9.528 1.809 -4.818 1.00 0.00 C ATOM 681 C GLN A 59 8.649 1.325 -3.666 1.00 0.00 C ATOM 682 O GLN A 59 9.108 0.675 -2.742 1.00 0.00 O ATOM 683 CB GLN A 59 9.625 3.333 -4.808 1.00 0.00 C ATOM 684 CG GLN A 59 10.490 3.795 -5.979 1.00 0.00 C ATOM 685 CD GLN A 59 11.911 4.072 -5.485 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.405 3.348 -4.518 1.00 0.00 O flip ATOM 687 NE2 GLN A 59 12.578 4.957 -5.983 1.00 0.00 N flip ATOM 0 H GLN A 59 8.553 2.265 -6.667 1.00 0.00 H new ATOM 0 HA GLN A 59 10.504 1.338 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.630 3.772 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.056 3.675 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.506 3.031 -6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.067 4.695 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.192 5.523 -6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.524 5.134 -5.645 1.00 0.00 H new ATOM 696 N PHE A 60 7.386 1.638 -3.712 1.00 0.00 N ATOM 697 CA PHE A 60 6.482 1.192 -2.617 1.00 0.00 C ATOM 698 C PHE A 60 6.475 -0.336 -2.541 1.00 0.00 C ATOM 699 O PHE A 60 6.624 -0.911 -1.485 1.00 0.00 O ATOM 700 CB PHE A 60 5.095 1.724 -2.986 1.00 0.00 C ATOM 701 CG PHE A 60 4.148 1.469 -1.836 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.453 1.954 -0.559 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.973 0.737 -2.044 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.584 1.708 0.512 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.106 0.488 -0.973 1.00 0.00 C ATOM 706 CZ PHE A 60 2.413 0.973 0.305 1.00 0.00 C ATOM 0 H PHE A 60 6.942 2.179 -4.454 1.00 0.00 H new ATOM 0 HA PHE A 60 6.801 1.562 -1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.146 2.791 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.732 1.233 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.360 2.519 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.735 0.365 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.818 2.086 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.200 -0.078 -1.132 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.745 0.779 1.131 1.00 0.00 H new ATOM 716 N TYR A 61 6.326 -1.008 -3.650 1.00 0.00 N ATOM 717 CA TYR A 61 6.330 -2.495 -3.613 1.00 0.00 C ATOM 718 C TYR A 61 7.555 -2.989 -2.850 1.00 0.00 C ATOM 719 O TYR A 61 7.581 -4.093 -2.341 1.00 0.00 O ATOM 720 CB TYR A 61 6.385 -2.920 -5.076 1.00 0.00 C ATOM 721 CG TYR A 61 5.294 -3.926 -5.345 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.326 -5.181 -4.724 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.246 -3.601 -6.212 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.309 -6.111 -4.973 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.229 -4.530 -6.463 1.00 0.00 C ATOM 726 CZ TYR A 61 3.260 -5.785 -5.842 1.00 0.00 C ATOM 727 OH TYR A 61 2.259 -6.702 -6.089 1.00 0.00 O ATOM 0 H TYR A 61 6.203 -0.593 -4.574 1.00 0.00 H new ATOM 0 HA TYR A 61 5.457 -2.909 -3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.262 -2.052 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.359 -3.353 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.135 -5.431 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.221 -2.632 -6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.334 -7.079 -4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.421 -4.279 -7.135 1.00 0.00 H new ATOM 0 HH TYR A 61 1.609 -6.317 -6.713 1.00 0.00 H new ATOM 737 N PHE A 62 8.564 -2.174 -2.754 1.00 0.00 N ATOM 738 CA PHE A 62 9.783 -2.587 -2.011 1.00 0.00 C ATOM 739 C PHE A 62 9.544 -2.447 -0.506 1.00 0.00 C ATOM 740 O PHE A 62 9.744 -3.377 0.250 1.00 0.00 O ATOM 741 CB PHE A 62 10.876 -1.624 -2.475 1.00 0.00 C ATOM 742 CG PHE A 62 12.207 -2.339 -2.490 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.791 -2.761 -1.290 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.857 -2.578 -3.708 1.00 0.00 C ATOM 745 CE1 PHE A 62 14.025 -3.423 -1.307 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.091 -3.240 -3.724 1.00 0.00 C ATOM 747 CZ PHE A 62 14.675 -3.663 -2.524 1.00 0.00 C ATOM 0 H PHE A 62 8.598 -1.238 -3.158 1.00 0.00 H new ATOM 0 HA PHE A 62 10.055 -3.626 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.643 -1.246 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.922 -0.762 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.290 -2.576 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.407 -2.252 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.476 -3.749 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.592 -3.424 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.626 -4.174 -2.537 1.00 0.00 H new ATOM 757 N LEU A 63 9.138 -1.286 -0.059 1.00 0.00 N ATOM 758 CA LEU A 63 8.918 -1.107 1.413 1.00 0.00 C ATOM 759 C LEU A 63 7.840 -2.062 1.963 1.00 0.00 C ATOM 760 O LEU A 63 7.797 -2.310 3.151 1.00 0.00 O ATOM 761 CB LEU A 63 8.544 0.371 1.655 1.00 0.00 C ATOM 762 CG LEU A 63 7.404 0.850 0.746 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.054 0.402 1.309 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.442 2.379 0.691 1.00 0.00 C ATOM 0 H LEU A 63 8.951 -0.466 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 63 9.832 -1.358 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.252 0.502 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.422 0.995 1.490 1.00 0.00 H new ATOM 0 HG LEU A 63 7.528 0.425 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.254 0.748 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.028 -0.686 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.917 0.824 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.639 2.740 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.313 2.783 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.401 2.705 0.289 1.00 0.00 H new ATOM 776 N ILE A 64 6.992 -2.633 1.140 1.00 0.00 N ATOM 777 CA ILE A 64 5.981 -3.591 1.705 1.00 0.00 C ATOM 778 C ILE A 64 6.545 -5.006 1.645 1.00 0.00 C ATOM 779 O ILE A 64 6.384 -5.789 2.557 1.00 0.00 O ATOM 780 CB ILE A 64 4.722 -3.531 0.835 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.473 -2.114 0.332 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.520 -3.992 1.664 1.00 0.00 C ATOM 783 CD1 ILE A 64 3.062 -2.027 -0.253 1.00 0.00 C ATOM 0 H ILE A 64 6.952 -2.486 0.131 1.00 0.00 H new ATOM 0 HA ILE A 64 5.750 -3.327 2.737 1.00 0.00 H new ATOM 0 HB ILE A 64 4.862 -4.183 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.585 -1.401 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.210 -1.850 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.619 -3.952 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.683 -5.015 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.401 -3.338 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.880 -1.015 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.967 -2.730 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.332 -2.274 0.518 1.00 0.00 H new ATOM 795 N ARG A 65 7.193 -5.335 0.560 1.00 0.00 N ATOM 796 CA ARG A 65 7.770 -6.706 0.405 1.00 0.00 C ATOM 797 C ARG A 65 8.322 -7.214 1.739 1.00 0.00 C ATOM 798 O ARG A 65 7.873 -8.213 2.265 1.00 0.00 O ATOM 799 CB ARG A 65 8.897 -6.548 -0.614 1.00 0.00 C ATOM 800 CG ARG A 65 9.077 -7.860 -1.380 1.00 0.00 C ATOM 801 CD ARG A 65 10.005 -7.629 -2.573 1.00 0.00 C ATOM 802 NE ARG A 65 11.029 -8.706 -2.476 1.00 0.00 N ATOM 803 CZ ARG A 65 11.107 -9.619 -3.403 1.00 0.00 C ATOM 804 NH1 ARG A 65 10.021 -10.057 -3.981 1.00 0.00 N ATOM 805 NH2 ARG A 65 12.270 -10.094 -3.754 1.00 0.00 N ATOM 0 H ARG A 65 7.349 -4.711 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 65 7.021 -7.429 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.665 -5.739 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.824 -6.279 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.494 -8.623 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.110 -8.229 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.459 -7.686 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.465 -6.642 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 65 11.670 -8.729 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.112 -9.685 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.082 -10.771 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.118 -9.751 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.331 -10.808 -4.479 1.00 0.00 H new ATOM 817 N LYS A 66 9.288 -6.537 2.294 1.00 0.00 N ATOM 818 CA LYS A 66 9.851 -6.992 3.597 1.00 0.00 C ATOM 819 C LYS A 66 8.782 -6.883 4.684 1.00 0.00 C ATOM 820 O LYS A 66 8.735 -7.673 5.606 1.00 0.00 O ATOM 821 CB LYS A 66 11.014 -6.041 3.883 1.00 0.00 C ATOM 822 CG LYS A 66 12.265 -6.526 3.148 1.00 0.00 C ATOM 823 CD LYS A 66 12.142 -6.195 1.659 1.00 0.00 C ATOM 824 CE LYS A 66 13.525 -6.259 1.006 1.00 0.00 C ATOM 825 NZ LYS A 66 13.974 -7.667 1.195 1.00 0.00 N ATOM 0 H LYS A 66 9.710 -5.694 1.905 1.00 0.00 H new ATOM 0 HA LYS A 66 10.180 -8.031 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.759 -5.031 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.205 -5.995 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.152 -6.050 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.386 -7.601 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.466 -6.899 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.713 -5.201 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.475 -5.999 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.216 -5.558 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.688 -7.903 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.388 -7.775 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.160 -8.307 1.097 1.00 0.00 H new ATOM 839 N ARG A 67 7.917 -5.912 4.577 1.00 0.00 N ATOM 840 CA ARG A 67 6.844 -5.753 5.598 1.00 0.00 C ATOM 841 C ARG A 67 5.827 -6.892 5.475 1.00 0.00 C ATOM 842 O ARG A 67 5.000 -7.093 6.342 1.00 0.00 O ATOM 843 CB ARG A 67 6.188 -4.409 5.277 1.00 0.00 C ATOM 844 CG ARG A 67 7.212 -3.286 5.450 1.00 0.00 C ATOM 845 CD ARG A 67 7.550 -3.122 6.934 1.00 0.00 C ATOM 846 NE ARG A 67 8.922 -2.544 6.953 1.00 0.00 N ATOM 847 CZ ARG A 67 9.957 -3.313 6.750 1.00 0.00 C ATOM 848 NH1 ARG A 67 10.221 -4.285 7.580 1.00 0.00 N ATOM 849 NH2 ARG A 67 10.728 -3.111 5.717 1.00 0.00 N ATOM 0 H ARG A 67 7.907 -5.222 3.826 1.00 0.00 H new ATOM 0 HA ARG A 67 7.233 -5.783 6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.807 -4.413 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.335 -4.242 5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.115 -3.514 4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.814 -2.353 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.837 -2.464 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.517 -4.079 7.455 1.00 0.00 H new ATOM 0 HE ARG A 67 9.053 -1.547 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.618 -4.444 8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.030 -4.886 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.522 -2.352 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.537 -3.712 5.559 1.00 0.00 H new ATOM 861 N ILE A 68 5.887 -7.648 4.410 1.00 0.00 N ATOM 862 CA ILE A 68 4.930 -8.777 4.246 1.00 0.00 C ATOM 863 C ILE A 68 5.613 -10.083 4.659 1.00 0.00 C ATOM 864 O ILE A 68 5.059 -11.155 4.528 1.00 0.00 O ATOM 865 CB ILE A 68 4.588 -8.796 2.748 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.583 -7.679 2.369 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.970 -10.145 2.384 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.189 -6.824 3.581 1.00 0.00 C ATOM 0 H ILE A 68 6.556 -7.531 3.649 1.00 0.00 H new ATOM 0 HA ILE A 68 4.036 -8.666 4.860 1.00 0.00 H new ATOM 0 HB ILE A 68 5.515 -8.629 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.023 -7.041 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.689 -8.128 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.727 -10.159 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.680 -10.942 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.061 -10.298 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.483 -6.054 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.724 -7.457 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.079 -6.353 3.999 1.00 0.00 H new ATOM 880 N HIS A 69 6.821 -9.995 5.150 1.00 0.00 N ATOM 881 CA HIS A 69 7.553 -11.221 5.568 1.00 0.00 C ATOM 882 C HIS A 69 7.623 -12.209 4.407 1.00 0.00 C ATOM 883 O HIS A 69 7.688 -13.407 4.596 1.00 0.00 O ATOM 884 CB HIS A 69 6.747 -11.803 6.728 1.00 0.00 C ATOM 885 CG HIS A 69 7.673 -12.130 7.867 1.00 0.00 C ATOM 886 ND1 HIS A 69 9.026 -12.362 7.677 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.453 -12.272 9.214 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.564 -12.630 8.881 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.649 -12.588 9.853 1.00 0.00 N ATOM 0 H HIS A 69 7.332 -9.122 5.279 1.00 0.00 H new ATOM 0 HA HIS A 69 8.579 -11.006 5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.991 -11.089 7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.220 -12.701 6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.498 -12.156 9.704 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.609 -12.852 9.042 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.795 -12.752 10.849 1.00 0.00 H new ATOM 897 N LEU A 70 7.625 -11.709 3.205 1.00 0.00 N ATOM 898 CA LEU A 70 7.709 -12.620 2.026 1.00 0.00 C ATOM 899 C LEU A 70 9.137 -12.641 1.481 1.00 0.00 C ATOM 900 O LEU A 70 9.880 -11.689 1.618 1.00 0.00 O ATOM 901 CB LEU A 70 6.725 -12.076 0.981 1.00 0.00 C ATOM 902 CG LEU A 70 7.106 -10.650 0.547 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.353 -10.691 -0.340 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.950 -10.045 -0.251 1.00 0.00 C ATOM 0 H LEU A 70 7.572 -10.714 2.986 1.00 0.00 H new ATOM 0 HA LEU A 70 7.454 -13.646 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.714 -12.733 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.716 -12.076 1.393 1.00 0.00 H new ATOM 0 HG LEU A 70 7.310 -10.047 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.617 -9.678 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.181 -11.131 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.150 -11.294 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.213 -9.034 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.756 -10.657 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.056 -10.012 0.372 1.00 0.00 H new ATOM 916 N ARG A 71 9.531 -13.726 0.873 1.00 0.00 N ATOM 917 CA ARG A 71 10.920 -13.811 0.331 1.00 0.00 C ATOM 918 C ARG A 71 11.064 -15.014 -0.612 1.00 0.00 C ATOM 919 O ARG A 71 10.093 -15.563 -1.086 1.00 0.00 O ATOM 920 CB ARG A 71 11.801 -13.979 1.575 1.00 0.00 C ATOM 921 CG ARG A 71 11.755 -15.434 2.062 1.00 0.00 C ATOM 922 CD ARG A 71 13.162 -16.033 2.011 1.00 0.00 C ATOM 923 NE ARG A 71 13.840 -15.526 3.235 1.00 0.00 N ATOM 924 CZ ARG A 71 13.437 -15.915 4.413 1.00 0.00 C ATOM 925 NH1 ARG A 71 13.577 -17.162 4.771 1.00 0.00 N ATOM 926 NH2 ARG A 71 12.894 -15.057 5.234 1.00 0.00 N ATOM 0 H ARG A 71 8.955 -14.555 0.728 1.00 0.00 H new ATOM 0 HA ARG A 71 11.194 -12.934 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.828 -13.697 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.458 -13.312 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.367 -15.476 3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.077 -16.016 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.127 -17.122 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.691 -15.723 1.110 1.00 0.00 H new ATOM 0 HE ARG A 71 14.620 -14.874 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.001 -17.832 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.262 -17.467 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.785 -14.082 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.579 -15.362 6.155 1.00 0.00 H new ATOM 938 N ALA A 72 12.277 -15.432 -0.870 1.00 0.00 N ATOM 939 CA ALA A 72 12.499 -16.607 -1.762 1.00 0.00 C ATOM 940 C ALA A 72 11.717 -16.457 -3.067 1.00 0.00 C ATOM 941 O ALA A 72 12.226 -15.963 -4.053 1.00 0.00 O ATOM 942 CB ALA A 72 11.989 -17.810 -0.968 1.00 0.00 C ATOM 0 H ALA A 72 13.127 -15.007 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 72 13.548 -16.711 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.118 -18.717 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.553 -17.898 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.932 -17.673 -0.739 1.00 0.00 H new ATOM 948 N GLU A 73 10.487 -16.890 -3.084 1.00 0.00 N ATOM 949 CA GLU A 73 9.681 -16.779 -4.336 1.00 0.00 C ATOM 950 C GLU A 73 8.186 -16.778 -4.016 1.00 0.00 C ATOM 951 O GLU A 73 7.386 -17.323 -4.752 1.00 0.00 O ATOM 952 CB GLU A 73 10.048 -18.017 -5.153 1.00 0.00 C ATOM 953 CG GLU A 73 11.550 -18.018 -5.444 1.00 0.00 C ATOM 954 CD GLU A 73 11.864 -19.086 -6.494 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.737 -20.257 -6.175 1.00 0.00 O ATOM 956 OE2 GLU A 73 12.228 -18.715 -7.598 1.00 0.00 O ATOM 0 H GLU A 73 10.006 -17.314 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 73 9.888 -15.854 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.773 -18.919 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.487 -18.027 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.863 -17.037 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.109 -18.216 -4.529 1.00 0.00 H new ATOM 963 N ASP A 74 7.796 -16.169 -2.933 1.00 0.00 N ATOM 964 CA ASP A 74 6.349 -16.138 -2.583 1.00 0.00 C ATOM 965 C ASP A 74 5.574 -15.388 -3.656 1.00 0.00 C ATOM 966 O ASP A 74 6.125 -14.856 -4.599 1.00 0.00 O ATOM 967 CB ASP A 74 6.276 -15.422 -1.224 1.00 0.00 C ATOM 968 CG ASP A 74 5.017 -14.551 -1.111 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.060 -13.421 -1.568 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.036 -15.032 -0.571 1.00 0.00 O ATOM 0 H ASP A 74 8.414 -15.692 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 74 5.909 -17.133 -2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.281 -16.160 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.162 -14.801 -1.091 1.00 0.00 H new ATOM 975 N ALA A 75 4.295 -15.352 -3.500 1.00 0.00 N ATOM 976 CA ALA A 75 3.435 -14.643 -4.488 1.00 0.00 C ATOM 977 C ALA A 75 2.678 -13.505 -3.803 1.00 0.00 C ATOM 978 O ALA A 75 2.288 -13.607 -2.657 1.00 0.00 O ATOM 979 CB ALA A 75 2.463 -15.704 -5.006 1.00 0.00 C ATOM 0 H ALA A 75 3.794 -15.785 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 75 4.014 -14.198 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.794 -15.257 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.024 -16.515 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.878 -16.098 -4.175 1.00 0.00 H new ATOM 985 N LEU A 76 2.468 -12.422 -4.495 1.00 0.00 N ATOM 986 CA LEU A 76 1.738 -11.277 -3.882 1.00 0.00 C ATOM 987 C LEU A 76 1.159 -10.374 -4.968 1.00 0.00 C ATOM 988 O LEU A 76 1.661 -10.302 -6.072 1.00 0.00 O ATOM 989 CB LEU A 76 2.788 -10.523 -3.068 1.00 0.00 C ATOM 990 CG LEU A 76 2.187 -9.224 -2.526 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.246 -9.544 -1.362 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.310 -8.311 -2.031 1.00 0.00 C ATOM 0 H LEU A 76 2.770 -12.279 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 76 0.903 -11.608 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.138 -11.144 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.655 -10.302 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 76 1.631 -8.723 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.818 -8.619 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.446 -10.197 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.804 -10.044 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.883 -7.386 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.865 -8.813 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.984 -8.083 -2.857 1.00 0.00 H new ATOM 1004 N PHE A 77 0.105 -9.682 -4.654 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.526 -8.774 -5.647 1.00 0.00 C ATOM 1006 C PHE A 77 -1.279 -7.658 -4.922 1.00 0.00 C ATOM 1007 O PHE A 77 -2.149 -7.914 -4.108 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.500 -9.654 -6.423 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.780 -10.875 -6.940 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.072 -10.814 -8.147 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.820 -12.070 -6.212 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.596 -11.947 -8.624 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.152 -13.204 -6.690 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.556 -13.142 -7.896 1.00 0.00 C ATOM 0 H PHE A 77 -0.352 -9.706 -3.742 1.00 0.00 H new ATOM 0 HA PHE A 77 0.205 -8.300 -6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.327 -9.953 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.929 -9.094 -7.254 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.042 -9.892 -8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.366 -12.117 -5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.143 -11.900 -9.554 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.183 -14.126 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.072 -14.016 -8.265 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.940 -6.425 -5.189 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.625 -5.303 -4.503 1.00 0.00 C ATOM 1026 C PHE A 78 -2.933 -4.924 -5.198 1.00 0.00 C ATOM 1027 O PHE A 78 -2.982 -4.710 -6.393 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.643 -4.153 -4.612 1.00 0.00 C ATOM 1029 CG PHE A 78 0.569 -4.412 -3.755 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.622 -5.503 -2.878 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.635 -3.530 -3.831 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.754 -5.700 -2.073 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.767 -3.722 -3.037 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.828 -4.805 -2.153 1.00 0.00 C ATOM 0 H PHE A 78 -0.217 -6.151 -5.854 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.888 -5.562 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.340 -4.023 -5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.124 -3.225 -4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.208 -6.192 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.590 -2.690 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.797 -6.539 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.597 -3.034 -3.105 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.701 -4.950 -1.534 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.980 -4.804 -4.438 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.291 -4.396 -5.003 1.00 0.00 C ATOM 1046 C PHE A 79 -5.732 -3.103 -4.323 1.00 0.00 C ATOM 1047 O PHE A 79 -5.911 -3.050 -3.121 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.256 -5.518 -4.653 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.698 -6.841 -5.124 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.831 -7.218 -6.465 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.052 -7.691 -4.218 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.316 -8.444 -6.903 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.538 -8.918 -4.655 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.670 -9.294 -5.997 1.00 0.00 C ATOM 0 H PHE A 79 -3.983 -4.974 -3.432 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.250 -4.228 -6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.420 -5.545 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.224 -5.335 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.331 -6.563 -7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.950 -7.400 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.417 -8.734 -7.938 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.040 -9.574 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.273 -10.240 -6.334 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.898 -2.061 -5.076 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.322 -0.768 -4.465 1.00 0.00 C ATOM 1066 C VAL A 80 -7.634 -0.298 -5.097 1.00 0.00 C ATOM 1067 O VAL A 80 -7.750 -0.188 -6.301 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.189 0.230 -4.749 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.161 1.278 -3.637 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.835 -0.490 -4.781 1.00 0.00 C ATOM 0 H VAL A 80 -5.760 -2.042 -6.086 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.497 -0.864 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.366 0.700 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.360 1.991 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.116 1.803 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.988 0.788 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.044 0.232 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.654 -0.967 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.844 -1.247 -5.565 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.626 -0.023 -4.293 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.931 0.434 -4.852 1.00 0.00 C ATOM 1082 C ASN A 81 -10.450 -0.582 -5.874 1.00 0.00 C ATOM 1083 O ASN A 81 -11.058 -0.227 -6.863 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.624 1.770 -5.531 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.931 2.436 -5.965 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.934 2.483 -5.131 1.00 0.00 O flip ATOM 1087 ND2 ASN A 81 -11.042 2.919 -7.074 1.00 0.00 N flip ATOM 0 H ASN A 81 -8.589 -0.095 -3.276 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.699 0.534 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.082 2.422 -4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.980 1.611 -6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.259 2.883 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.918 3.361 -7.353 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.212 -1.844 -5.640 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.689 -2.885 -6.598 1.00 0.00 C ATOM 1096 C ASN A 82 -9.983 -2.722 -7.947 1.00 0.00 C ATOM 1097 O ASN A 82 -10.542 -3.002 -8.989 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.191 -2.633 -6.742 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.946 -3.958 -6.622 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.372 -4.968 -6.265 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -14.220 -3.997 -6.904 1.00 0.00 N ATOM 0 H ASN A 82 -9.708 -2.200 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.479 -3.896 -6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.529 -1.939 -5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.402 -2.168 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.733 -4.875 -6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.702 -3.150 -7.204 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.759 -2.271 -7.935 1.00 0.00 N ATOM 1109 CA VAL A 83 -8.017 -2.088 -9.217 1.00 0.00 C ATOM 1110 C VAL A 83 -6.593 -2.640 -9.084 1.00 0.00 C ATOM 1111 O VAL A 83 -6.132 -2.932 -8.000 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.986 -0.573 -9.455 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.732 -0.291 -10.936 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.328 0.046 -9.050 1.00 0.00 C ATOM 0 H VAL A 83 -8.239 -2.021 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.490 -2.617 -10.045 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.188 -0.136 -8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.710 0.786 -11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.775 -0.723 -11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.529 -0.735 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.299 1.122 -9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.127 -0.395 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.514 -0.148 -7.994 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.893 -2.764 -10.182 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.497 -3.293 -10.145 1.00 0.00 C ATOM 1126 C ILE A 84 -3.725 -2.769 -11.359 1.00 0.00 C ATOM 1127 O ILE A 84 -3.463 -3.500 -12.294 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.615 -4.821 -10.258 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.812 -5.348 -9.456 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.335 -5.465 -9.724 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.103 -5.135 -10.251 1.00 0.00 C ATOM 0 H ILE A 84 -6.233 -2.519 -11.112 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.979 -2.989 -9.235 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.763 -5.076 -11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.678 -6.408 -9.239 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.875 -4.832 -8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.413 -6.549 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.483 -5.120 -10.309 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.195 -5.185 -8.680 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.950 -5.511 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.240 -4.071 -10.445 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.040 -5.671 -11.198 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.394 -1.509 -11.301 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.651 -0.861 -12.412 1.00 0.00 C ATOM 1145 C PRO A 85 -1.190 -1.320 -12.432 1.00 0.00 C ATOM 1146 O PRO A 85 -0.702 -1.887 -11.474 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.748 0.627 -12.083 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.957 0.686 -10.603 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.678 -0.577 -10.205 1.00 0.00 C ATOM 0 HA PRO A 85 -3.054 -1.107 -13.394 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.840 1.155 -12.374 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.575 1.096 -12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.003 0.765 -10.082 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.542 1.565 -10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.315 -0.960 -9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.749 -0.407 -10.093 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.541 -1.051 -13.532 1.00 0.00 N ATOM 1158 CA PRO A 86 0.884 -1.433 -13.695 1.00 0.00 C ATOM 1159 C PRO A 86 1.777 -0.533 -12.839 1.00 0.00 C ATOM 1160 O PRO A 86 1.307 0.362 -12.163 1.00 0.00 O ATOM 1161 CB PRO A 86 1.146 -1.208 -15.182 1.00 0.00 C ATOM 1162 CG PRO A 86 0.137 -0.189 -15.604 1.00 0.00 C ATOM 1163 CD PRO A 86 -1.071 -0.372 -14.720 1.00 0.00 C ATOM 0 HA PRO A 86 1.095 -2.455 -13.381 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.162 -0.852 -15.354 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.032 -2.133 -15.747 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.540 0.818 -15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.129 -0.321 -16.653 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.526 0.584 -14.463 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.839 -0.969 -15.212 1.00 0.00 H new ATOM 1171 N THR A 87 3.058 -0.766 -12.859 1.00 0.00 N ATOM 1172 CA THR A 87 3.979 0.077 -12.039 1.00 0.00 C ATOM 1173 C THR A 87 4.424 1.309 -12.824 1.00 0.00 C ATOM 1174 O THR A 87 5.437 1.914 -12.533 1.00 0.00 O ATOM 1175 CB THR A 87 5.182 -0.810 -11.726 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.367 -1.752 -12.775 1.00 0.00 O ATOM 1177 CG2 THR A 87 4.951 -1.548 -10.406 1.00 0.00 C ATOM 0 H THR A 87 3.509 -1.500 -13.405 1.00 0.00 H new ATOM 0 HA THR A 87 3.490 0.435 -11.133 1.00 0.00 H new ATOM 0 HB THR A 87 6.073 -0.188 -11.638 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.140 -2.319 -12.573 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.812 -2.180 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.818 -0.824 -9.602 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.058 -2.167 -10.487 1.00 0.00 H new ATOM 1185 N SER A 88 3.671 1.685 -13.810 1.00 0.00 N ATOM 1186 CA SER A 88 4.036 2.884 -14.621 1.00 0.00 C ATOM 1187 C SER A 88 3.397 4.134 -14.014 1.00 0.00 C ATOM 1188 O SER A 88 2.956 5.024 -14.712 1.00 0.00 O ATOM 1189 CB SER A 88 3.470 2.610 -16.014 1.00 0.00 C ATOM 1190 OG SER A 88 2.073 2.363 -15.912 1.00 0.00 O ATOM 0 H SER A 88 2.812 1.215 -14.096 1.00 0.00 H new ATOM 0 HA SER A 88 5.112 3.056 -14.651 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.654 3.462 -16.668 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.971 1.751 -16.461 1.00 0.00 H new ATOM 0 HG SER A 88 1.706 2.188 -16.804 1.00 0.00 H new ATOM 1196 N ALA A 89 3.342 4.199 -12.711 1.00 0.00 N ATOM 1197 CA ALA A 89 2.728 5.382 -12.043 1.00 0.00 C ATOM 1198 C ALA A 89 3.386 5.620 -10.687 1.00 0.00 C ATOM 1199 O ALA A 89 4.370 4.997 -10.339 1.00 0.00 O ATOM 1200 CB ALA A 89 1.256 5.014 -11.864 1.00 0.00 C ATOM 0 H ALA A 89 3.697 3.482 -12.079 1.00 0.00 H new ATOM 0 HA ALA A 89 2.853 6.296 -12.623 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.732 5.836 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.807 4.824 -12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.177 4.118 -11.248 1.00 0.00 H new ATOM 1206 N THR A 90 2.845 6.518 -9.923 1.00 0.00 N ATOM 1207 CA THR A 90 3.429 6.808 -8.583 1.00 0.00 C ATOM 1208 C THR A 90 2.315 6.992 -7.547 1.00 0.00 C ATOM 1209 O THR A 90 1.215 7.411 -7.859 1.00 0.00 O ATOM 1210 CB THR A 90 4.226 8.105 -8.759 1.00 0.00 C ATOM 1211 OG1 THR A 90 3.384 9.114 -9.293 1.00 0.00 O ATOM 1212 CG2 THR A 90 5.396 7.860 -9.712 1.00 0.00 C ATOM 0 H THR A 90 2.021 7.068 -10.165 1.00 0.00 H new ATOM 0 HA THR A 90 4.060 5.994 -8.227 1.00 0.00 H new ATOM 0 HB THR A 90 4.607 8.428 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.424 9.089 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.963 8.783 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.046 7.088 -9.300 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.015 7.534 -10.680 1.00 0.00 H new ATOM 1220 N MET A 91 2.593 6.660 -6.318 1.00 0.00 N ATOM 1221 CA MET A 91 1.557 6.790 -5.254 1.00 0.00 C ATOM 1222 C MET A 91 0.874 8.159 -5.328 1.00 0.00 C ATOM 1223 O MET A 91 -0.336 8.261 -5.286 1.00 0.00 O ATOM 1224 CB MET A 91 2.313 6.639 -3.933 1.00 0.00 C ATOM 1225 CG MET A 91 2.799 5.196 -3.782 1.00 0.00 C ATOM 1226 SD MET A 91 1.707 4.307 -2.644 1.00 0.00 S ATOM 1227 CE MET A 91 1.229 2.983 -3.781 1.00 0.00 C ATOM 0 H MET A 91 3.495 6.303 -6.003 1.00 0.00 H new ATOM 0 HA MET A 91 0.771 6.042 -5.361 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.161 7.324 -3.907 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.664 6.904 -3.098 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.810 4.701 -4.753 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.822 5.183 -3.406 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.450 2.374 -3.323 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.853 3.417 -4.707 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.096 2.359 -3.998 1.00 0.00 H new ATOM 1237 N GLY A 92 1.640 9.209 -5.428 1.00 0.00 N ATOM 1238 CA GLY A 92 1.036 10.570 -5.495 1.00 0.00 C ATOM 1239 C GLY A 92 -0.178 10.559 -6.423 1.00 0.00 C ATOM 1240 O GLY A 92 -1.208 11.125 -6.117 1.00 0.00 O ATOM 0 H GLY A 92 2.659 9.184 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.739 10.894 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.774 11.287 -5.856 1.00 0.00 H new ATOM 1244 N GLN A 93 -0.067 9.918 -7.550 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.226 9.875 -8.489 1.00 0.00 C ATOM 1246 C GLN A 93 -2.343 9.048 -7.869 1.00 0.00 C ATOM 1247 O GLN A 93 -3.505 9.401 -7.934 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.718 9.194 -9.760 1.00 0.00 C ATOM 1249 CG GLN A 93 0.673 9.715 -10.108 1.00 0.00 C ATOM 1250 CD GLN A 93 0.755 9.994 -11.610 1.00 0.00 C ATOM 1251 OE1 GLN A 93 1.435 9.293 -12.333 1.00 0.00 O ATOM 1252 NE2 GLN A 93 0.086 10.994 -12.113 1.00 0.00 N ATOM 0 H GLN A 93 0.769 9.424 -7.863 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.615 10.871 -8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.686 8.114 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.404 9.386 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.882 10.626 -9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.429 8.983 -9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.485 11.582 -11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.134 11.188 -13.113 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.001 7.945 -7.269 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.046 7.092 -6.647 1.00 0.00 C ATOM 1263 C LEU A 94 -3.814 7.880 -5.587 1.00 0.00 C ATOM 1264 O LEU A 94 -4.926 7.554 -5.246 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.285 5.918 -6.029 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.079 6.118 -4.523 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.356 5.727 -3.778 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -0.924 5.238 -4.054 1.00 0.00 C ATOM 0 H LEU A 94 -1.046 7.598 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.788 6.750 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.835 4.993 -6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.317 5.811 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.848 7.164 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.210 5.869 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.182 6.352 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.588 4.681 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.773 5.376 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.158 4.193 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.015 5.516 -4.588 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.232 8.905 -5.050 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.960 9.669 -4.009 1.00 0.00 C ATOM 1282 C TYR A 95 -5.380 9.978 -4.493 1.00 0.00 C ATOM 1283 O TYR A 95 -6.347 9.665 -3.832 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.152 10.952 -3.815 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.169 11.323 -2.355 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.891 10.349 -1.393 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.470 12.632 -1.964 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.913 10.682 -0.034 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.491 12.967 -0.606 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.213 11.992 0.360 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.236 12.322 1.700 1.00 0.00 O ATOM 0 H TYR A 95 -2.298 9.245 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.057 9.117 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.127 10.807 -4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.575 11.758 -4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.659 9.339 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.686 13.383 -2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.699 9.929 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.722 13.978 -0.303 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.163 12.339 2.017 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.512 10.578 -5.641 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.874 10.897 -6.163 1.00 0.00 C ATOM 1303 C GLN A 96 -7.631 9.621 -6.572 1.00 0.00 C ATOM 1304 O GLN A 96 -8.843 9.613 -6.652 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.628 11.787 -7.382 1.00 0.00 C ATOM 1306 CG GLN A 96 -6.577 13.252 -6.944 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.464 14.092 -7.864 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -8.172 13.560 -8.695 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -7.457 15.392 -7.748 1.00 0.00 N ATOM 0 H GLN A 96 -4.739 10.862 -6.242 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.490 11.385 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.692 11.508 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.421 11.643 -8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.914 13.346 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.551 13.617 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.862 15.839 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.046 15.961 -8.355 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.930 8.553 -6.859 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.623 7.297 -7.293 1.00 0.00 C ATOM 1320 C GLU A 97 -8.156 6.501 -6.094 1.00 0.00 C ATOM 1321 O GLU A 97 -9.346 6.296 -5.956 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.553 6.494 -8.034 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.564 6.875 -9.515 1.00 0.00 C ATOM 1324 CD GLU A 97 -7.196 5.746 -10.330 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -7.920 4.955 -9.748 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -6.947 5.692 -11.523 1.00 0.00 O ATOM 0 H GLU A 97 -5.913 8.494 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.490 7.516 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.571 6.692 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.741 5.426 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.124 7.799 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.547 7.062 -9.861 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.289 6.029 -5.240 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.740 5.228 -4.076 1.00 0.00 C ATOM 1335 C HIS A 98 -7.834 6.114 -2.831 1.00 0.00 C ATOM 1336 O HIS A 98 -7.464 5.725 -1.736 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.642 4.183 -3.919 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.364 3.551 -5.253 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.350 3.375 -6.211 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.215 3.053 -5.804 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -6.777 2.794 -7.281 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -5.474 2.575 -7.084 1.00 0.00 N ATOM 0 H HIS A 98 -6.280 6.167 -5.303 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.727 4.784 -4.211 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.736 4.646 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.948 3.423 -3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.251 3.034 -5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.305 2.537 -8.187 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.812 2.149 -7.733 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.346 7.304 -3.008 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.500 8.252 -1.858 1.00 0.00 C ATOM 1352 C HIS A 99 -9.668 7.807 -0.976 1.00 0.00 C ATOM 1353 O HIS A 99 -10.479 6.993 -1.368 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.809 9.621 -2.487 1.00 0.00 C ATOM 1355 CG HIS A 99 -8.188 10.717 -1.676 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -8.672 11.108 -0.438 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -7.120 11.525 -1.934 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -7.893 12.114 0.000 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -6.928 12.409 -0.875 1.00 0.00 N ATOM 0 H HIS A 99 -8.667 7.665 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.606 8.287 -1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.428 9.654 -3.508 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -9.888 9.768 -2.544 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.513 11.485 -2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.031 12.621 0.944 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.207 13.126 -0.787 1.00 0.00 H new ATOM 1367 N GLU A 100 -9.770 8.347 0.205 1.00 0.00 N ATOM 1368 CA GLU A 100 -10.895 7.966 1.106 1.00 0.00 C ATOM 1369 C GLU A 100 -11.328 9.177 1.940 1.00 0.00 C ATOM 1370 O GLU A 100 -11.135 9.225 3.138 1.00 0.00 O ATOM 1371 CB GLU A 100 -10.348 6.846 2.002 1.00 0.00 C ATOM 1372 CG GLU A 100 -11.259 6.681 3.215 1.00 0.00 C ATOM 1373 CD GLU A 100 -11.637 5.207 3.377 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -12.457 4.738 2.605 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -11.101 4.574 4.272 1.00 0.00 O ATOM 0 H GLU A 100 -9.123 9.037 0.587 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.772 7.631 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.294 5.911 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.334 7.084 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.754 7.038 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.157 7.286 3.093 1.00 0.00 H new ATOM 1382 N GLU A 101 -11.916 10.158 1.308 1.00 0.00 N ATOM 1383 CA GLU A 101 -12.367 11.369 2.053 1.00 0.00 C ATOM 1384 C GLU A 101 -11.318 11.787 3.087 1.00 0.00 C ATOM 1385 O GLU A 101 -10.185 11.348 3.048 1.00 0.00 O ATOM 1386 CB GLU A 101 -13.661 10.947 2.747 1.00 0.00 C ATOM 1387 CG GLU A 101 -14.859 11.513 1.982 1.00 0.00 C ATOM 1388 CD GLU A 101 -16.108 11.437 2.862 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -15.997 11.731 4.041 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -17.155 11.088 2.342 1.00 0.00 O ATOM 0 H GLU A 101 -12.104 10.172 0.306 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.514 12.223 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.725 9.860 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.669 11.308 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.666 12.547 1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.015 10.951 1.061 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.692 12.631 4.012 1.00 0.00 N ATOM 1398 CA ASP A 102 -10.722 13.083 5.060 1.00 0.00 C ATOM 1399 C ASP A 102 -9.337 13.319 4.445 1.00 0.00 C ATOM 1400 O ASP A 102 -9.042 14.390 3.953 1.00 0.00 O ATOM 1401 CB ASP A 102 -10.673 11.937 6.071 1.00 0.00 C ATOM 1402 CG ASP A 102 -11.700 12.190 7.177 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -12.553 13.040 6.982 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -11.615 11.529 8.200 1.00 0.00 O ATOM 0 H ASP A 102 -12.628 13.029 4.089 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.023 14.024 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.883 10.990 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.674 11.857 6.499 1.00 0.00 H new ATOM 1409 N PHE A 103 -8.485 12.329 4.469 1.00 0.00 N ATOM 1410 CA PHE A 103 -7.125 12.505 3.885 1.00 0.00 C ATOM 1411 C PHE A 103 -6.309 11.218 4.049 1.00 0.00 C ATOM 1412 O PHE A 103 -5.308 11.189 4.738 1.00 0.00 O ATOM 1413 CB PHE A 103 -6.495 13.648 4.683 1.00 0.00 C ATOM 1414 CG PHE A 103 -6.426 14.885 3.820 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -5.905 14.805 2.524 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -6.883 16.113 4.316 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -5.839 15.951 1.724 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -6.817 17.259 3.516 1.00 0.00 C ATOM 1419 CZ PHE A 103 -6.295 17.178 2.219 1.00 0.00 C ATOM 0 H PHE A 103 -8.672 11.409 4.867 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.158 12.725 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -7.083 13.848 5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.496 13.367 5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.554 13.858 2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.286 16.175 5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.436 15.889 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.169 18.206 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.244 18.062 1.601 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.732 10.156 3.420 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.986 8.868 3.537 1.00 0.00 C ATOM 1431 C PHE A 104 -6.377 7.930 2.389 1.00 0.00 C ATOM 1432 O PHE A 104 -7.483 7.978 1.889 1.00 0.00 O ATOM 1433 CB PHE A 104 -6.430 8.274 4.874 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.364 8.506 5.917 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.297 7.608 6.040 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -5.445 9.616 6.766 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -3.310 7.821 7.011 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -4.460 9.828 7.738 1.00 0.00 C ATOM 1439 CZ PHE A 104 -3.393 8.931 7.860 1.00 0.00 C ATOM 0 H PHE A 104 -7.563 10.123 2.829 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.906 9.010 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.368 8.730 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.617 7.206 4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.235 6.751 5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.268 10.309 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.486 7.129 7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.524 10.684 8.394 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.633 9.095 8.610 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.485 7.071 1.971 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.826 6.131 0.862 1.00 0.00 C ATOM 1451 C LEU A 105 -5.819 4.689 1.392 1.00 0.00 C ATOM 1452 O LEU A 105 -5.272 4.417 2.442 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.743 6.376 -0.208 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.701 5.252 -0.211 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.177 4.129 -1.133 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.366 5.798 -0.722 1.00 0.00 C ATOM 0 H LEU A 105 -4.541 6.979 2.346 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.820 6.291 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.209 6.446 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.251 7.330 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.573 4.867 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.440 3.326 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.131 3.743 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.300 4.516 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.624 5.000 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.493 6.179 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.029 6.604 -0.070 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.431 3.765 0.697 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.454 2.361 1.204 1.00 0.00 C ATOM 1470 C TYR A 106 -5.803 1.389 0.214 1.00 0.00 C ATOM 1471 O TYR A 106 -6.087 1.402 -0.965 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.936 2.022 1.379 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.751 2.606 0.250 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.741 1.997 -1.011 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.521 3.754 0.466 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -9.500 2.537 -2.056 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.280 4.294 -0.578 1.00 0.00 C ATOM 1478 CZ TYR A 106 -10.271 3.686 -1.839 1.00 0.00 C ATOM 1479 OH TYR A 106 -11.019 4.219 -2.868 1.00 0.00 O ATOM 0 H TYR A 106 -6.911 3.919 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.891 2.271 2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.066 0.940 1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.294 2.411 2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.147 1.110 -1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.530 4.223 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.491 2.068 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.873 5.181 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.228 3.516 -3.518 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.938 0.531 0.699 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.273 -0.462 -0.197 1.00 0.00 C ATOM 1491 C ILE A 107 -4.142 -1.810 0.521 1.00 0.00 C ATOM 1492 O ILE A 107 -3.578 -1.894 1.595 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.889 0.117 -0.485 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.015 1.603 -0.816 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.266 -0.617 -1.675 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.663 2.135 -1.293 1.00 0.00 C ATOM 0 H ILE A 107 -4.664 0.477 1.680 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.841 -0.633 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.255 -0.007 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.770 1.752 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.346 2.156 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.278 -0.204 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.174 -1.678 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.901 -0.493 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.752 3.195 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.921 2.000 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.351 1.590 -2.184 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.648 -2.867 -0.058 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.534 -4.200 0.608 1.00 0.00 C ATOM 1510 C ALA A 108 -3.816 -5.177 -0.318 1.00 0.00 C ATOM 1511 O ALA A 108 -3.749 -4.966 -1.505 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.974 -4.651 0.851 1.00 0.00 C ATOM 0 H ALA A 108 -5.132 -2.867 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.965 -4.155 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.973 -5.626 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.479 -3.926 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.498 -4.723 -0.102 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.277 -6.247 0.200 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.580 -7.211 -0.700 1.00 0.00 C ATOM 1520 C TYR A 109 -2.961 -8.650 -0.370 1.00 0.00 C ATOM 1521 O TYR A 109 -3.468 -8.949 0.693 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.079 -7.000 -0.494 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.765 -6.671 0.946 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.986 -5.377 1.428 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.227 -7.652 1.792 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.671 -5.062 2.754 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.084 -7.335 3.117 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.137 -6.040 3.598 1.00 0.00 C ATOM 1529 OH TYR A 109 0.173 -5.727 4.904 1.00 0.00 O ATOM 0 H TYR A 109 -3.287 -6.493 1.190 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.867 -7.038 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.539 -7.899 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.731 -6.193 -1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.400 -4.621 0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -0.053 -8.651 1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.841 -4.062 3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.495 -8.090 3.770 1.00 0.00 H new ATOM 0 HH TYR A 109 0.950 -5.130 4.922 1.00 0.00 H new ATOM 1539 N SER A 110 -2.713 -9.542 -1.287 1.00 0.00 N ATOM 1540 CA SER A 110 -3.052 -10.974 -1.049 1.00 0.00 C ATOM 1541 C SER A 110 -2.041 -11.880 -1.758 1.00 0.00 C ATOM 1542 O SER A 110 -1.137 -11.415 -2.424 1.00 0.00 O ATOM 1543 CB SER A 110 -4.446 -11.156 -1.647 1.00 0.00 C ATOM 1544 OG SER A 110 -5.182 -12.075 -0.850 1.00 0.00 O ATOM 0 H SER A 110 -2.289 -9.342 -2.193 1.00 0.00 H new ATOM 0 HA SER A 110 -3.026 -11.235 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.964 -10.198 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.370 -11.524 -2.670 1.00 0.00 H new ATOM 0 HG SER A 110 -6.013 -12.316 -1.311 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.188 -13.170 -1.624 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.232 -14.101 -2.297 1.00 0.00 C ATOM 1552 C ASP A 111 -1.898 -14.765 -3.506 1.00 0.00 C ATOM 1553 O ASP A 111 -1.278 -15.514 -4.234 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.867 -15.151 -1.242 1.00 0.00 C ATOM 1555 CG ASP A 111 0.413 -15.873 -1.664 1.00 0.00 C ATOM 1556 OD1 ASP A 111 0.464 -16.338 -2.791 1.00 0.00 O ATOM 1557 OD2 ASP A 111 1.322 -15.950 -0.853 1.00 0.00 O ATOM 0 H ASP A 111 -2.925 -13.620 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.350 -13.578 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.725 -14.674 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.681 -15.867 -1.129 1.00 0.00 H new ATOM 1562 N GLU A 112 -3.156 -14.494 -3.729 1.00 0.00 N ATOM 1563 CA GLU A 112 -3.860 -15.107 -4.892 1.00 0.00 C ATOM 1564 C GLU A 112 -3.584 -16.612 -4.951 1.00 0.00 C ATOM 1565 O GLU A 112 -2.912 -17.165 -4.103 1.00 0.00 O ATOM 1566 CB GLU A 112 -3.277 -14.408 -6.120 1.00 0.00 C ATOM 1567 CG GLU A 112 -4.407 -13.782 -6.939 1.00 0.00 C ATOM 1568 CD GLU A 112 -4.505 -14.481 -8.296 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -5.139 -15.522 -8.360 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -3.943 -13.965 -9.248 1.00 0.00 O ATOM 0 H GLU A 112 -3.727 -13.874 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.941 -14.987 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.569 -13.639 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.725 -15.123 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.352 -13.873 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.221 -12.717 -7.080 1.00 0.00 H new ATOM 1577 N SER A 113 -4.097 -17.277 -5.950 1.00 0.00 N ATOM 1578 CA SER A 113 -3.865 -18.745 -6.070 1.00 0.00 C ATOM 1579 C SER A 113 -3.126 -19.050 -7.374 1.00 0.00 C ATOM 1580 O SER A 113 -3.283 -20.105 -7.958 1.00 0.00 O ATOM 1581 CB SER A 113 -5.260 -19.369 -6.085 1.00 0.00 C ATOM 1582 OG SER A 113 -5.148 -20.772 -5.891 1.00 0.00 O ATOM 0 H SER A 113 -4.668 -16.867 -6.689 1.00 0.00 H new ATOM 0 HA SER A 113 -3.256 -19.137 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.876 -18.930 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.755 -19.160 -7.033 1.00 0.00 H new ATOM 0 HG SER A 113 -4.499 -21.139 -6.527 1.00 0.00 H new ATOM 1588 N VAL A 114 -2.322 -18.131 -7.839 1.00 0.00 N ATOM 1589 CA VAL A 114 -1.575 -18.365 -9.108 1.00 0.00 C ATOM 1590 C VAL A 114 -1.019 -19.791 -9.145 1.00 0.00 C ATOM 1591 O VAL A 114 -0.988 -20.482 -8.147 1.00 0.00 O ATOM 1592 CB VAL A 114 -0.435 -17.345 -9.092 1.00 0.00 C ATOM 1593 CG1 VAL A 114 0.628 -17.779 -8.081 1.00 0.00 C ATOM 1594 CG2 VAL A 114 0.191 -17.261 -10.485 1.00 0.00 C ATOM 0 H VAL A 114 -2.151 -17.229 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 114 -2.212 -18.252 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.827 -16.368 -8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.439 -17.051 -8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.183 -17.839 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.021 -18.756 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.004 -16.535 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.581 -18.239 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.565 -16.950 -11.206 1.00 0.00 H new ATOM 1604 N TYR A 115 -0.581 -20.236 -10.292 1.00 0.00 N ATOM 1605 CA TYR A 115 -0.028 -21.616 -10.396 1.00 0.00 C ATOM 1606 C TYR A 115 1.019 -21.850 -9.305 1.00 0.00 C ATOM 1607 O TYR A 115 1.957 -21.090 -9.158 1.00 0.00 O ATOM 1608 CB TYR A 115 0.618 -21.681 -11.782 1.00 0.00 C ATOM 1609 CG TYR A 115 0.470 -23.074 -12.346 1.00 0.00 C ATOM 1610 CD1 TYR A 115 0.437 -24.179 -11.486 1.00 0.00 C ATOM 1611 CD2 TYR A 115 0.366 -23.262 -13.730 1.00 0.00 C ATOM 1612 CE1 TYR A 115 0.300 -25.471 -12.010 1.00 0.00 C ATOM 1613 CE2 TYR A 115 0.231 -24.554 -14.253 1.00 0.00 C ATOM 1614 CZ TYR A 115 0.197 -25.659 -13.393 1.00 0.00 C ATOM 1615 OH TYR A 115 0.062 -26.930 -13.910 1.00 0.00 O ATOM 0 H TYR A 115 -0.583 -19.703 -11.162 1.00 0.00 H new ATOM 0 HA TYR A 115 -0.796 -22.379 -10.268 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.148 -20.957 -12.447 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.673 -21.415 -11.715 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.517 -24.035 -10.419 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.390 -22.410 -14.394 1.00 0.00 H new ATOM 0 HE1 TYR A 115 0.274 -26.323 -11.346 1.00 0.00 H new ATOM 0 HE2 TYR A 115 0.153 -24.699 -15.320 1.00 0.00 H new ATOM 0 HH TYR A 115 0.003 -26.881 -14.887 1.00 0.00 H new ATOM 1625 N GLY A 116 0.870 -22.895 -8.539 1.00 0.00 N ATOM 1626 CA GLY A 116 1.857 -23.177 -7.459 1.00 0.00 C ATOM 1627 C GLY A 116 3.164 -23.674 -8.078 1.00 0.00 C ATOM 1628 O GLY A 116 3.542 -23.271 -9.161 1.00 0.00 O ATOM 0 H GLY A 116 0.106 -23.567 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 116 2.039 -22.275 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.459 -23.926 -6.775 1.00 0.00 H new ATOM 1632 N LEU A 117 3.857 -24.547 -7.401 1.00 0.00 N ATOM 1633 CA LEU A 117 5.140 -25.070 -7.953 1.00 0.00 C ATOM 1634 C LEU A 117 4.886 -26.337 -8.774 1.00 0.00 C ATOM 1635 O LEU A 117 5.745 -26.688 -9.565 1.00 0.00 O ATOM 1636 CB LEU A 117 5.997 -25.389 -6.727 1.00 0.00 C ATOM 1637 CG LEU A 117 5.352 -26.526 -5.935 1.00 0.00 C ATOM 1638 CD1 LEU A 117 6.416 -27.564 -5.574 1.00 0.00 C ATOM 1639 CD2 LEU A 117 4.730 -25.966 -4.654 1.00 0.00 C ATOM 1640 OXT LEU A 117 3.837 -26.934 -8.596 1.00 0.00 O ATOM 0 H LEU A 117 3.591 -24.921 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 117 5.626 -24.355 -8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.003 -25.673 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.095 -24.504 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 117 4.577 -26.996 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.956 -28.375 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.859 -27.963 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.192 -27.095 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.270 -26.776 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.505 -25.496 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.972 -25.226 -4.911 1.00 0.00 H new TER 1652 LEU A 117