USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 978 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 52 GLN :FLIP amide:sc= -0.916! F(o=-1.4,f=0.27!) USER MOD Set 1.2: A 116 THR OG1 : rot -125:sc= 1.18 USER MOD Set 2.1: A 70 GLN :FLIP amide:sc= 0.342 F(o=-1.6!,f=0.51) USER MOD Set 2.2: A 94 GLN :FLIP amide:sc= 0.546 F(o=-1.6,f=0.51) USER MOD Set 2.3: A 97 SER OG : rot -40:sc= -0.376 USER MOD Set 3.1: A 80 THR OG1 : rot -65:sc= 1.82 USER MOD Set 3.2: A 90 TYR OH : rot 136:sc= -1.37 USER MOD Single : A 1 GLN :FLIP amide:sc= -0.576 F(o=-3!,f=-0.58) USER MOD Single : A 1 GLN N :NH3+ 170:sc= -0.297 (180deg=-0.517) USER MOD Single : A 3 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.05) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= -0.1 (180deg=-1.16) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.113 F(o=-0.7,f=-0.11) USER MOD Single : A 16 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.033) USER MOD Single : A 21 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.5) USER MOD Single : A 23 ASN : amide:sc= 0.0657 X(o=0.066,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -6.54! C(o=-6.5!,f=-7.3!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.56 K(o=-1.6,f=-6.4!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 44 ASN : amide:sc= -1.77 X(o=-1.8,f=-2!) USER MOD Single : A 46 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0.767) USER MOD Single : A 48 SER OG : rot 180:sc= 0.264 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0372) USER MOD Single : A 63 CYS SG : rot 177:sc= 0.169 USER MOD Single : A 65 MET CE :methyl -155:sc= -1.61 (180deg=-1.86!) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.44 (180deg=-0.897) USER MOD Single : A 83 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.087) USER MOD Single : A 89 ASN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 95 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= -0.276 (180deg=-0.291) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 75:sc= 0.182 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.78) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 17.222 6.592 -11.112 1.00 0.00 N ATOM 2 CA GLN A 1 15.799 6.530 -11.424 1.00 0.00 C ATOM 3 C GLN A 1 15.296 7.874 -11.942 1.00 0.00 C ATOM 4 O GLN A 1 16.013 8.873 -11.899 1.00 0.00 O ATOM 5 CB GLN A 1 15.003 6.117 -10.185 1.00 0.00 C ATOM 6 CG GLN A 1 15.111 7.104 -9.034 1.00 0.00 C ATOM 7 CD GLN A 1 16.411 6.963 -8.266 1.00 0.00 C ATOM 8 OE1 GLN A 1 17.333 7.892 -8.489 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 16.583 6.031 -7.480 1.00 0.00 N flip ATOM 0 H1 GLN A 1 17.505 5.728 -10.607 1.00 0.00 H new ATOM 0 H2 GLN A 1 17.768 6.671 -11.994 1.00 0.00 H new ATOM 0 H3 GLN A 1 17.410 7.421 -10.513 1.00 0.00 H new ATOM 0 HA GLN A 1 15.655 5.784 -12.206 1.00 0.00 H new ATOM 0 HB2 GLN A 1 13.954 6.004 -10.459 1.00 0.00 H new ATOM 0 HB3 GLN A 1 15.351 5.140 -9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 1 15.031 8.119 -9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 1 14.273 6.956 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 1 15.846 5.340 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 1 17.462 5.950 -6.969 1.00 0.00 H new ATOM 18 N GLU A 2 14.060 7.888 -12.430 1.00 0.00 N ATOM 19 CA GLU A 2 13.462 9.109 -12.958 1.00 0.00 C ATOM 20 C GLU A 2 12.817 9.927 -11.841 1.00 0.00 C ATOM 21 O GLU A 2 12.124 9.383 -10.980 1.00 0.00 O ATOM 22 CB GLU A 2 12.419 8.773 -14.025 1.00 0.00 C ATOM 23 CG GLU A 2 13.022 8.284 -15.332 1.00 0.00 C ATOM 24 CD GLU A 2 12.086 7.372 -16.100 1.00 0.00 C ATOM 25 OE1 GLU A 2 10.885 7.331 -15.760 1.00 0.00 O ATOM 26 OE2 GLU A 2 12.553 6.698 -17.041 1.00 0.00 O ATOM 0 H GLU A 2 13.454 7.069 -12.471 1.00 0.00 H new ATOM 0 HA GLU A 2 14.255 9.705 -13.410 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.747 8.008 -13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.815 9.658 -14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.278 9.142 -15.953 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.951 7.753 -15.123 1.00 0.00 H new ATOM 33 N HIS A 3 13.053 11.234 -11.862 1.00 0.00 N ATOM 34 CA HIS A 3 12.495 12.127 -10.852 1.00 0.00 C ATOM 35 C HIS A 3 11.871 13.360 -11.500 1.00 0.00 C ATOM 36 O HIS A 3 12.460 13.970 -12.392 1.00 0.00 O ATOM 37 CB HIS A 3 13.581 12.552 -9.862 1.00 0.00 C ATOM 38 CG HIS A 3 14.669 13.373 -10.483 1.00 0.00 C ATOM 39 ND1 HIS A 3 14.936 14.674 -10.111 1.00 0.00 N ATOM 40 CD2 HIS A 3 15.560 13.071 -11.455 1.00 0.00 C ATOM 41 CE1 HIS A 3 15.945 15.136 -10.828 1.00 0.00 C ATOM 42 NE2 HIS A 3 16.342 14.183 -11.651 1.00 0.00 N ATOM 0 H HIS A 3 13.626 11.699 -12.566 1.00 0.00 H new ATOM 0 HA HIS A 3 11.715 11.586 -10.316 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.122 13.123 -9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.020 11.661 -9.413 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.641 12.130 -11.979 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.372 16.125 -10.754 1.00 0.00 H new ATOM 0 HE2 HIS A 3 17.105 14.260 -12.323 1.00 0.00 H new ATOM 50 N LYS A 4 10.674 13.718 -11.047 1.00 0.00 N ATOM 51 CA LYS A 4 9.969 14.876 -11.582 1.00 0.00 C ATOM 52 C LYS A 4 9.843 15.971 -10.527 1.00 0.00 C ATOM 53 O LYS A 4 9.968 15.728 -9.326 1.00 0.00 O ATOM 54 CB LYS A 4 8.579 14.469 -12.077 1.00 0.00 C ATOM 55 CG LYS A 4 8.560 14.015 -13.527 1.00 0.00 C ATOM 56 CD LYS A 4 7.400 13.073 -13.800 1.00 0.00 C ATOM 57 CE LYS A 4 7.693 12.156 -14.978 1.00 0.00 C ATOM 58 NZ LYS A 4 7.605 12.878 -16.278 1.00 0.00 N ATOM 0 H LYS A 4 10.172 13.222 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 4 10.547 15.267 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.199 13.664 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.899 15.313 -11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.486 14.884 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.499 13.516 -13.766 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.200 12.474 -12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.499 13.652 -14.003 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.690 11.729 -14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.988 11.325 -14.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.811 12.219 -17.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.647 13.264 -16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.296 13.655 -16.291 1.00 0.00 H new ATOM 72 N PRO A 5 9.590 17.207 -10.983 1.00 0.00 N ATOM 73 CA PRO A 5 9.439 18.363 -10.095 1.00 0.00 C ATOM 74 C PRO A 5 8.158 18.298 -9.270 1.00 0.00 C ATOM 75 O PRO A 5 7.256 17.513 -9.566 1.00 0.00 O ATOM 76 CB PRO A 5 9.393 19.549 -11.061 1.00 0.00 C ATOM 77 CG PRO A 5 8.896 18.975 -12.343 1.00 0.00 C ATOM 78 CD PRO A 5 9.428 17.571 -12.401 1.00 0.00 C ATOM 0 HA PRO A 5 10.245 18.422 -9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.730 20.332 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.379 19.998 -11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.807 18.981 -12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.245 19.560 -13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.737 16.900 -12.911 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.375 17.522 -12.939 1.00 0.00 H new ATOM 86 N LYS A 6 8.084 19.128 -8.235 1.00 0.00 N ATOM 87 CA LYS A 6 6.912 19.166 -7.367 1.00 0.00 C ATOM 88 C LYS A 6 6.426 20.599 -7.174 1.00 0.00 C ATOM 89 O LYS A 6 6.614 21.193 -6.112 1.00 0.00 O ATOM 90 CB LYS A 6 7.237 18.539 -6.009 1.00 0.00 C ATOM 91 CG LYS A 6 8.593 18.948 -5.460 1.00 0.00 C ATOM 92 CD LYS A 6 9.672 17.948 -5.838 1.00 0.00 C ATOM 93 CE LYS A 6 9.452 16.605 -5.157 1.00 0.00 C ATOM 94 NZ LYS A 6 10.648 15.724 -5.269 1.00 0.00 N ATOM 0 H LYS A 6 8.822 19.783 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 6 6.118 18.592 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.464 18.821 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.204 17.453 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.859 19.934 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.537 19.031 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.680 17.812 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.649 18.343 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.216 16.766 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.591 16.108 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.458 14.819 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.858 15.550 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.464 16.187 -4.820 1.00 0.00 H new ATOM 108 N LYS A 7 5.796 21.149 -8.207 1.00 0.00 N ATOM 109 CA LYS A 7 5.279 22.511 -8.152 1.00 0.00 C ATOM 110 C LYS A 7 3.766 22.527 -8.349 1.00 0.00 C ATOM 111 O LYS A 7 3.246 21.922 -9.286 1.00 0.00 O ATOM 112 CB LYS A 7 5.952 23.378 -9.219 1.00 0.00 C ATOM 113 CG LYS A 7 5.560 24.844 -9.146 1.00 0.00 C ATOM 114 CD LYS A 7 6.216 25.539 -7.964 1.00 0.00 C ATOM 115 CE LYS A 7 7.582 26.095 -8.333 1.00 0.00 C ATOM 116 NZ LYS A 7 8.663 25.090 -8.135 1.00 0.00 N ATOM 0 H LYS A 7 5.631 20.671 -9.093 1.00 0.00 H new ATOM 0 HA LYS A 7 5.504 22.919 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.034 23.294 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.696 22.990 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.849 25.345 -10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.476 24.928 -9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.575 26.348 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.319 24.835 -7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.573 26.418 -9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.791 26.977 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.449 25.524 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.292 24.282 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.004 24.760 -9.060 1.00 0.00 H new ATOM 130 N ASP A 8 3.067 23.223 -7.459 1.00 0.00 N ATOM 131 CA ASP A 8 1.614 23.320 -7.537 1.00 0.00 C ATOM 132 C ASP A 8 0.968 21.946 -7.382 1.00 0.00 C ATOM 133 O ASP A 8 -0.096 21.683 -7.944 1.00 0.00 O ATOM 134 CB ASP A 8 1.192 23.949 -8.866 1.00 0.00 C ATOM 135 CG ASP A 8 -0.125 24.690 -8.765 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.353 25.358 -7.735 1.00 0.00 O ATOM 137 OD2 ASP A 8 -0.930 24.602 -9.717 1.00 0.00 O ATOM 0 H ASP A 8 3.482 23.728 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 8 1.274 23.956 -6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.968 24.638 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.109 23.169 -9.623 1.00 0.00 H new ATOM 142 N ASP A 9 1.620 21.074 -6.621 1.00 0.00 N ATOM 143 CA ASP A 9 1.109 19.728 -6.393 1.00 0.00 C ATOM 144 C ASP A 9 -0.093 19.753 -5.453 1.00 0.00 C ATOM 145 O ASP A 9 -1.169 19.261 -5.792 1.00 0.00 O ATOM 146 CB ASP A 9 2.208 18.835 -5.812 1.00 0.00 C ATOM 147 CG ASP A 9 3.277 18.495 -6.832 1.00 0.00 C ATOM 148 OD1 ASP A 9 3.057 18.758 -8.033 1.00 0.00 O ATOM 149 OD2 ASP A 9 4.335 17.969 -6.429 1.00 0.00 O ATOM 0 H ASP A 9 2.503 21.275 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 9 0.788 19.321 -7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.668 19.337 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.763 17.914 -5.436 1.00 0.00 H new ATOM 154 N PHE A 10 0.100 20.328 -4.271 1.00 0.00 N ATOM 155 CA PHE A 10 -0.967 20.416 -3.281 1.00 0.00 C ATOM 156 C PHE A 10 -1.648 21.781 -3.335 1.00 0.00 C ATOM 157 O PHE A 10 -1.121 22.727 -3.920 1.00 0.00 O ATOM 158 CB PHE A 10 -0.412 20.166 -1.877 1.00 0.00 C ATOM 159 CG PHE A 10 -0.320 18.710 -1.519 1.00 0.00 C ATOM 160 CD1 PHE A 10 0.620 17.893 -2.125 1.00 0.00 C ATOM 161 CD2 PHE A 10 -1.174 18.160 -0.577 1.00 0.00 C ATOM 162 CE1 PHE A 10 0.708 16.553 -1.798 1.00 0.00 C ATOM 163 CE2 PHE A 10 -1.090 16.821 -0.246 1.00 0.00 C ATOM 164 CZ PHE A 10 -0.149 16.016 -0.858 1.00 0.00 C ATOM 0 H PHE A 10 0.985 20.740 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.707 19.650 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.579 20.614 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.046 20.672 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.292 18.308 -2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.913 18.784 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.446 15.927 -2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.760 16.404 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.084 14.969 -0.602 1.00 0.00 H new ATOM 174 N ARG A 11 -2.824 21.874 -2.721 1.00 0.00 N ATOM 175 CA ARG A 11 -3.577 23.121 -2.700 1.00 0.00 C ATOM 176 C ARG A 11 -4.152 23.387 -1.312 1.00 0.00 C ATOM 177 O ARG A 11 -3.723 24.305 -0.617 1.00 0.00 O ATOM 178 CB ARG A 11 -4.708 23.076 -3.731 1.00 0.00 C ATOM 179 CG ARG A 11 -4.290 23.552 -5.113 1.00 0.00 C ATOM 180 CD ARG A 11 -4.346 25.067 -5.220 1.00 0.00 C ATOM 181 NE ARG A 11 -4.641 25.509 -6.581 1.00 0.00 N ATOM 182 CZ ARG A 11 -5.861 25.509 -7.105 1.00 0.00 C ATOM 183 NH1 ARG A 11 -6.895 25.093 -6.388 1.00 0.00 N ATOM 184 NH2 ARG A 11 -6.049 25.926 -8.351 1.00 0.00 N ATOM 0 H ARG A 11 -3.275 21.101 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.894 23.932 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.081 22.054 -3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.535 23.692 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.278 23.208 -5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.943 23.109 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.108 25.450 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.393 25.489 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.867 25.835 -7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.755 24.771 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.831 25.094 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.256 26.247 -8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.986 25.926 -8.753 1.00 0.00 H new ATOM 198 N ASN A 12 -5.127 22.574 -0.915 1.00 0.00 N ATOM 199 CA ASN A 12 -5.762 22.722 0.390 1.00 0.00 C ATOM 200 C ASN A 12 -6.687 21.543 0.681 1.00 0.00 C ATOM 201 O ASN A 12 -7.223 20.922 -0.236 1.00 0.00 O ATOM 202 CB ASN A 12 -6.550 24.032 0.452 1.00 0.00 C ATOM 203 CG ASN A 12 -7.725 24.044 -0.506 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.828 23.428 -0.098 1.00 0.00 O flip ATOM 205 ND2 ASN A 12 -7.642 24.604 -1.600 1.00 0.00 N flip ATOM 0 H ASN A 12 -5.494 21.807 -1.478 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.979 22.742 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.911 24.188 1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.886 24.864 0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.774 25.065 -1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.441 24.607 -2.234 1.00 0.00 H new ATOM 212 N GLU A 13 -6.870 21.245 1.964 1.00 0.00 N ATOM 213 CA GLU A 13 -7.730 20.142 2.375 1.00 0.00 C ATOM 214 C GLU A 13 -8.238 20.350 3.798 1.00 0.00 C ATOM 215 O GLU A 13 -7.889 21.329 4.457 1.00 0.00 O ATOM 216 CB GLU A 13 -6.976 18.814 2.280 1.00 0.00 C ATOM 217 CG GLU A 13 -5.592 18.854 2.906 1.00 0.00 C ATOM 218 CD GLU A 13 -4.542 19.414 1.967 1.00 0.00 C ATOM 219 OE1 GLU A 13 -4.519 19.000 0.788 1.00 0.00 O ATOM 220 OE2 GLU A 13 -3.743 20.266 2.410 1.00 0.00 O ATOM 0 H GLU A 13 -6.435 21.751 2.735 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.587 20.113 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.564 18.036 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.883 18.533 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.624 19.460 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.304 17.847 3.207 1.00 0.00 H new ATOM 227 N PHE A 14 -9.066 19.422 4.266 1.00 0.00 N ATOM 228 CA PHE A 14 -9.625 19.503 5.610 1.00 0.00 C ATOM 229 C PHE A 14 -9.491 18.168 6.337 1.00 0.00 C ATOM 230 O PHE A 14 -9.686 17.105 5.746 1.00 0.00 O ATOM 231 CB PHE A 14 -11.097 19.918 5.550 1.00 0.00 C ATOM 232 CG PHE A 14 -11.298 21.405 5.493 1.00 0.00 C ATOM 233 CD1 PHE A 14 -11.347 22.065 4.276 1.00 0.00 C ATOM 234 CD2 PHE A 14 -11.437 22.144 6.657 1.00 0.00 C ATOM 235 CE1 PHE A 14 -11.531 23.433 4.220 1.00 0.00 C ATOM 236 CE2 PHE A 14 -11.623 23.513 6.608 1.00 0.00 C ATOM 237 CZ PHE A 14 -11.670 24.158 5.387 1.00 0.00 C ATOM 0 H PHE A 14 -9.365 18.605 3.734 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.065 20.256 6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.559 19.463 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.614 19.523 6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.240 21.503 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.400 21.645 7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.566 23.935 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.731 24.077 7.522 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.815 25.227 5.345 1.00 0.00 H new ATOM 247 N ASP A 15 -9.156 18.231 7.621 1.00 0.00 N ATOM 248 CA ASP A 15 -8.996 17.028 8.429 1.00 0.00 C ATOM 249 C ASP A 15 -10.315 16.271 8.546 1.00 0.00 C ATOM 250 O ASP A 15 -10.333 15.047 8.666 1.00 0.00 O ATOM 251 CB ASP A 15 -8.475 17.388 9.821 1.00 0.00 C ATOM 252 CG ASP A 15 -6.978 17.625 9.836 1.00 0.00 C ATOM 253 OD1 ASP A 15 -6.225 16.681 9.516 1.00 0.00 O ATOM 254 OD2 ASP A 15 -6.559 18.754 10.168 1.00 0.00 O ATOM 0 H ASP A 15 -8.990 19.102 8.125 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.271 16.382 7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.985 18.283 10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.720 16.585 10.516 1.00 0.00 H new ATOM 259 N HIS A 16 -11.420 17.011 8.510 1.00 0.00 N ATOM 260 CA HIS A 16 -12.745 16.410 8.613 1.00 0.00 C ATOM 261 C HIS A 16 -13.356 16.205 7.229 1.00 0.00 C ATOM 262 O HIS A 16 -14.578 16.214 7.072 1.00 0.00 O ATOM 263 CB HIS A 16 -13.663 17.289 9.463 1.00 0.00 C ATOM 264 CG HIS A 16 -14.762 16.528 10.140 1.00 0.00 C ATOM 265 ND1 HIS A 16 -16.007 17.067 10.387 1.00 0.00 N ATOM 266 CD2 HIS A 16 -14.798 15.263 10.619 1.00 0.00 C ATOM 267 CE1 HIS A 16 -16.760 16.166 10.992 1.00 0.00 C ATOM 268 NE2 HIS A 16 -16.051 15.063 11.144 1.00 0.00 N ATOM 0 H HIS A 16 -11.423 18.026 8.410 1.00 0.00 H new ATOM 0 HA HIS A 16 -12.640 15.437 9.094 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.066 17.799 10.219 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -14.102 18.060 8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.992 14.545 10.593 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.783 16.308 11.309 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.380 14.202 11.581 1.00 0.00 H new ATOM 276 N LEU A 17 -12.500 16.021 6.231 1.00 0.00 N ATOM 277 CA LEU A 17 -12.956 15.814 4.860 1.00 0.00 C ATOM 278 C LEU A 17 -13.014 14.328 4.524 1.00 0.00 C ATOM 279 O LEU A 17 -11.985 13.696 4.281 1.00 0.00 O ATOM 280 CB LEU A 17 -12.029 16.535 3.880 1.00 0.00 C ATOM 281 CG LEU A 17 -12.522 16.628 2.436 1.00 0.00 C ATOM 282 CD1 LEU A 17 -13.932 17.197 2.388 1.00 0.00 C ATOM 283 CD2 LEU A 17 -11.574 17.477 1.601 1.00 0.00 C ATOM 0 H LEU A 17 -11.486 16.011 6.344 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.961 16.227 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.857 17.546 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.065 16.027 3.882 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.543 15.623 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.266 17.256 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.605 16.549 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.937 18.194 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.941 17.532 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.519 18.481 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.581 17.027 1.607 1.00 0.00 H new ATOM 295 N LEU A 18 -14.221 13.775 4.511 1.00 0.00 N ATOM 296 CA LEU A 18 -14.414 12.363 4.201 1.00 0.00 C ATOM 297 C LEU A 18 -13.705 11.988 2.904 1.00 0.00 C ATOM 298 O LEU A 18 -12.821 11.132 2.893 1.00 0.00 O ATOM 299 CB LEU A 18 -15.905 12.043 4.092 1.00 0.00 C ATOM 300 CG LEU A 18 -16.782 12.523 5.250 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.091 13.094 4.727 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.046 11.386 6.225 1.00 0.00 C ATOM 0 H LEU A 18 -15.082 14.283 4.712 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.982 11.777 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.284 12.483 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.018 10.963 4.000 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.251 13.314 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.702 13.430 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.883 13.937 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.628 12.324 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.671 11.745 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.557 10.574 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.099 11.023 6.625 1.00 0.00 H new ATOM 314 N ILE A 19 -14.098 12.636 1.812 1.00 0.00 N ATOM 315 CA ILE A 19 -13.498 12.373 0.511 1.00 0.00 C ATOM 316 C ILE A 19 -11.976 12.344 0.603 1.00 0.00 C ATOM 317 O ILE A 19 -11.320 11.548 -0.068 1.00 0.00 O ATOM 318 CB ILE A 19 -13.918 13.431 -0.527 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.411 13.308 -0.837 1.00 0.00 C ATOM 320 CG2 ILE A 19 -13.094 13.283 -1.798 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.787 11.998 -1.491 1.00 0.00 C ATOM 0 H ILE A 19 -14.829 13.347 1.803 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.859 11.396 0.189 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.733 14.421 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.976 13.418 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.707 14.129 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.403 14.038 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.038 13.415 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.251 12.290 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.860 11.981 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.249 11.894 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.523 11.172 -0.830 1.00 0.00 H new ATOM 333 N GLU A 20 -11.422 13.215 1.440 1.00 0.00 N ATOM 334 CA GLU A 20 -9.977 13.288 1.621 1.00 0.00 C ATOM 335 C GLU A 20 -9.438 11.991 2.218 1.00 0.00 C ATOM 336 O GLU A 20 -8.523 11.377 1.670 1.00 0.00 O ATOM 337 CB GLU A 20 -9.611 14.468 2.523 1.00 0.00 C ATOM 338 CG GLU A 20 -8.137 14.832 2.482 1.00 0.00 C ATOM 339 CD GLU A 20 -7.609 14.971 1.069 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.187 13.949 0.488 1.00 0.00 O ATOM 341 OE2 GLU A 20 -7.619 16.103 0.540 1.00 0.00 O ATOM 0 H GLU A 20 -11.952 13.880 2.003 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.521 13.435 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.199 15.337 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.889 14.229 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.983 15.769 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.563 14.068 3.006 1.00 0.00 H new ATOM 348 N GLN A 21 -10.011 11.581 3.344 1.00 0.00 N ATOM 349 CA GLN A 21 -9.588 10.358 4.017 1.00 0.00 C ATOM 350 C GLN A 21 -9.826 9.140 3.131 1.00 0.00 C ATOM 351 O GLN A 21 -9.115 8.140 3.231 1.00 0.00 O ATOM 352 CB GLN A 21 -10.335 10.195 5.342 1.00 0.00 C ATOM 353 CG GLN A 21 -9.898 8.976 6.139 1.00 0.00 C ATOM 354 CD GLN A 21 -8.393 8.891 6.297 1.00 0.00 C ATOM 355 OE1 GLN A 21 -7.740 8.043 5.686 1.00 0.00 O ATOM 356 NE2 GLN A 21 -7.833 9.770 7.120 1.00 0.00 N ATOM 0 H GLN A 21 -10.770 12.078 3.810 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.520 10.434 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.184 11.089 5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.404 10.124 5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.362 9.006 7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.259 8.074 5.644 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.412 10.455 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.824 9.760 7.267 1.00 0.00 H new ATOM 365 N ALA A 22 -10.829 9.231 2.265 1.00 0.00 N ATOM 366 CA ALA A 22 -11.160 8.137 1.360 1.00 0.00 C ATOM 367 C ALA A 22 -10.074 7.949 0.306 1.00 0.00 C ATOM 368 O ALA A 22 -9.603 6.835 0.079 1.00 0.00 O ATOM 369 CB ALA A 22 -12.505 8.389 0.696 1.00 0.00 C ATOM 0 H ALA A 22 -11.427 10.052 2.171 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.223 7.220 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.739 7.564 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.279 8.465 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.462 9.319 0.129 1.00 0.00 H new ATOM 375 N ASN A 23 -9.681 9.045 -0.334 1.00 0.00 N ATOM 376 CA ASN A 23 -8.650 9.000 -1.365 1.00 0.00 C ATOM 377 C ASN A 23 -7.310 8.569 -0.777 1.00 0.00 C ATOM 378 O ASN A 23 -6.571 7.797 -1.389 1.00 0.00 O ATOM 379 CB ASN A 23 -8.510 10.369 -2.034 1.00 0.00 C ATOM 380 CG ASN A 23 -9.324 10.476 -3.309 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.855 10.119 -4.390 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.550 10.970 -3.188 1.00 0.00 N ATOM 0 H ASN A 23 -10.060 9.975 -0.157 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.950 8.266 -2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.828 11.145 -1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.460 10.554 -2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.145 11.066 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.898 11.253 -2.272 1.00 0.00 H new ATOM 389 N HIS A 24 -7.003 9.072 0.415 1.00 0.00 N ATOM 390 CA HIS A 24 -5.753 8.738 1.087 1.00 0.00 C ATOM 391 C HIS A 24 -5.719 7.262 1.469 1.00 0.00 C ATOM 392 O HIS A 24 -4.709 6.585 1.281 1.00 0.00 O ATOM 393 CB HIS A 24 -5.572 9.605 2.333 1.00 0.00 C ATOM 394 CG HIS A 24 -4.138 9.844 2.693 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.448 9.062 3.595 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.264 10.785 2.266 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.211 9.512 3.708 1.00 0.00 C ATOM 398 NE2 HIS A 24 -2.073 10.556 2.912 1.00 0.00 N ATOM 0 H HIS A 24 -7.603 9.712 0.935 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.934 8.934 0.396 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.063 10.565 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.075 9.127 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.465 11.569 1.551 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.443 9.096 4.344 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.221 11.104 2.795 1.00 0.00 H new ATOM 406 N ALA A 25 -6.830 6.769 2.009 1.00 0.00 N ATOM 407 CA ALA A 25 -6.928 5.374 2.416 1.00 0.00 C ATOM 408 C ALA A 25 -6.766 4.441 1.222 1.00 0.00 C ATOM 409 O ALA A 25 -5.961 3.509 1.254 1.00 0.00 O ATOM 410 CB ALA A 25 -8.257 5.119 3.112 1.00 0.00 C ATOM 0 H ALA A 25 -7.675 7.317 2.174 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.119 5.168 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.316 4.072 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.333 5.753 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.075 5.348 2.429 1.00 0.00 H new ATOM 416 N ILE A 26 -7.536 4.695 0.169 1.00 0.00 N ATOM 417 CA ILE A 26 -7.477 3.877 -1.036 1.00 0.00 C ATOM 418 C ILE A 26 -6.113 3.987 -1.709 1.00 0.00 C ATOM 419 O ILE A 26 -5.635 3.034 -2.324 1.00 0.00 O ATOM 420 CB ILE A 26 -8.569 4.280 -2.045 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.312 5.694 -2.569 1.00 0.00 C ATOM 422 CG2 ILE A 26 -9.945 4.190 -1.400 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.348 6.167 -3.565 1.00 0.00 C ATOM 0 H ILE A 26 -8.208 5.461 0.126 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.644 2.846 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.538 3.589 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.287 6.386 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.328 5.726 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.706 4.478 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.126 3.167 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.989 4.861 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.102 7.177 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.358 5.498 -4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.331 6.168 -3.095 1.00 0.00 H new ATOM 435 N GLU A 27 -5.491 5.156 -1.586 1.00 0.00 N ATOM 436 CA GLU A 27 -4.181 5.390 -2.182 1.00 0.00 C ATOM 437 C GLU A 27 -3.123 4.499 -1.538 1.00 0.00 C ATOM 438 O GLU A 27 -2.452 3.723 -2.217 1.00 0.00 O ATOM 439 CB GLU A 27 -3.785 6.861 -2.034 1.00 0.00 C ATOM 440 CG GLU A 27 -4.209 7.726 -3.209 1.00 0.00 C ATOM 441 CD GLU A 27 -3.810 9.179 -3.037 1.00 0.00 C ATOM 442 OE1 GLU A 27 -2.600 9.476 -3.119 1.00 0.00 O ATOM 443 OE2 GLU A 27 -4.708 10.019 -2.820 1.00 0.00 O ATOM 0 H GLU A 27 -5.873 5.955 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.242 5.142 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.230 7.258 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.703 6.927 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.761 7.336 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.290 7.662 -3.331 1.00 0.00 H new ATOM 450 N LYS A 28 -2.980 4.617 -0.222 1.00 0.00 N ATOM 451 CA LYS A 28 -2.006 3.823 0.516 1.00 0.00 C ATOM 452 C LYS A 28 -2.277 2.331 0.344 1.00 0.00 C ATOM 453 O LYS A 28 -1.361 1.551 0.084 1.00 0.00 O ATOM 454 CB LYS A 28 -2.039 4.190 2.002 1.00 0.00 C ATOM 455 CG LYS A 28 -1.086 3.368 2.853 1.00 0.00 C ATOM 456 CD LYS A 28 -1.345 3.572 4.336 1.00 0.00 C ATOM 457 CE LYS A 28 -1.064 5.005 4.759 1.00 0.00 C ATOM 458 NZ LYS A 28 -1.466 5.256 6.171 1.00 0.00 N ATOM 0 H LYS A 28 -3.527 5.256 0.355 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.017 4.043 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.793 5.246 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.054 4.059 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.195 2.312 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.058 3.646 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.381 3.321 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.718 2.892 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.001 5.217 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.600 5.689 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.258 6.244 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.485 5.079 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.936 4.621 6.801 1.00 0.00 H new ATOM 472 N GLY A 29 -3.539 1.942 0.490 1.00 0.00 N ATOM 473 CA GLY A 29 -3.908 0.546 0.346 1.00 0.00 C ATOM 474 C GLY A 29 -3.661 0.025 -1.056 1.00 0.00 C ATOM 475 O GLY A 29 -3.313 -1.141 -1.238 1.00 0.00 O ATOM 0 H GLY A 29 -4.314 2.569 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.340 -0.052 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.962 0.424 0.596 1.00 0.00 H new ATOM 479 N GLU A 30 -3.847 0.889 -2.048 1.00 0.00 N ATOM 480 CA GLU A 30 -3.646 0.507 -3.441 1.00 0.00 C ATOM 481 C GLU A 30 -2.166 0.269 -3.732 1.00 0.00 C ATOM 482 O GLU A 30 -1.804 -0.676 -4.435 1.00 0.00 O ATOM 483 CB GLU A 30 -4.193 1.588 -4.374 1.00 0.00 C ATOM 484 CG GLU A 30 -3.893 1.334 -5.843 1.00 0.00 C ATOM 485 CD GLU A 30 -4.679 2.246 -6.765 1.00 0.00 C ATOM 486 OE1 GLU A 30 -5.926 2.208 -6.717 1.00 0.00 O ATOM 487 OE2 GLU A 30 -4.045 2.999 -7.535 1.00 0.00 O ATOM 0 H GLU A 30 -4.136 1.858 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.187 -0.422 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.272 1.660 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.771 2.551 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.827 1.474 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.123 0.296 -6.083 1.00 0.00 H new ATOM 494 N HIS A 31 -1.315 1.133 -3.187 1.00 0.00 N ATOM 495 CA HIS A 31 0.125 1.017 -3.387 1.00 0.00 C ATOM 496 C HIS A 31 0.669 -0.237 -2.710 1.00 0.00 C ATOM 497 O HIS A 31 1.337 -1.054 -3.343 1.00 0.00 O ATOM 498 CB HIS A 31 0.837 2.255 -2.841 1.00 0.00 C ATOM 499 CG HIS A 31 0.705 3.460 -3.722 1.00 0.00 C ATOM 500 ND1 HIS A 31 1.445 4.609 -3.542 1.00 0.00 N ATOM 501 CD2 HIS A 31 -0.088 3.689 -4.795 1.00 0.00 C ATOM 502 CE1 HIS A 31 1.113 5.494 -4.465 1.00 0.00 C ATOM 503 NE2 HIS A 31 0.184 4.960 -5.239 1.00 0.00 N ATOM 0 H HIS A 31 -1.598 1.921 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 31 0.313 0.940 -4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.435 2.490 -1.855 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.894 2.027 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.802 3.000 -5.222 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.530 6.485 -4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.259 5.417 -6.036 1.00 0.00 H new ATOM 511 N GLN A 32 0.377 -0.381 -1.422 1.00 0.00 N ATOM 512 CA GLN A 32 0.840 -1.536 -0.659 1.00 0.00 C ATOM 513 C GLN A 32 0.293 -2.832 -1.250 1.00 0.00 C ATOM 514 O GLN A 32 0.987 -3.848 -1.290 1.00 0.00 O ATOM 515 CB GLN A 32 0.414 -1.410 0.805 1.00 0.00 C ATOM 516 CG GLN A 32 -1.092 -1.395 1.002 1.00 0.00 C ATOM 517 CD GLN A 32 -1.676 -2.786 1.146 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.630 -3.147 0.456 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.105 -3.578 2.047 1.00 0.00 N ATOM 0 H GLN A 32 -0.177 0.286 -0.885 1.00 0.00 H new ATOM 0 HA GLN A 32 1.928 -1.564 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.838 -2.240 1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.835 -0.494 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.332 -0.811 1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.560 -0.894 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.316 -3.239 2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.455 -4.526 2.188 1.00 0.00 H new ATOM 528 N LEU A 33 -0.953 -2.789 -1.706 1.00 0.00 N ATOM 529 CA LEU A 33 -1.593 -3.960 -2.294 1.00 0.00 C ATOM 530 C LEU A 33 -0.898 -4.367 -3.590 1.00 0.00 C ATOM 531 O LEU A 33 -0.587 -5.541 -3.798 1.00 0.00 O ATOM 532 CB LEU A 33 -3.072 -3.676 -2.564 1.00 0.00 C ATOM 533 CG LEU A 33 -3.867 -4.814 -3.204 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.707 -4.793 -4.717 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.428 -6.156 -2.639 1.00 0.00 C ATOM 0 H LEU A 33 -1.541 -1.956 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.511 -4.783 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.549 -3.412 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.141 -2.802 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.922 -4.671 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.280 -5.610 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.072 -3.843 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.654 -4.910 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.005 -6.954 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.368 -6.307 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.596 -6.170 -1.562 1.00 0.00 H new ATOM 547 N LEU A 34 -0.654 -3.391 -4.456 1.00 0.00 N ATOM 548 CA LEU A 34 0.007 -3.646 -5.731 1.00 0.00 C ATOM 549 C LEU A 34 1.386 -4.262 -5.516 1.00 0.00 C ATOM 550 O LEU A 34 1.771 -5.207 -6.205 1.00 0.00 O ATOM 551 CB LEU A 34 0.135 -2.349 -6.532 1.00 0.00 C ATOM 552 CG LEU A 34 -1.146 -1.843 -7.197 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.962 -0.417 -7.693 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.551 -2.760 -8.341 1.00 0.00 C ATOM 0 H LEU A 34 -0.904 -2.415 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.604 -4.353 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.508 -1.570 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.889 -2.496 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.944 -1.847 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.883 -0.074 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.720 0.232 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.150 -0.387 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.464 -2.385 -8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.754 -2.788 -9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.725 -3.765 -7.957 1.00 0.00 H new ATOM 566 N TYR A 35 2.126 -3.721 -4.554 1.00 0.00 N ATOM 567 CA TYR A 35 3.462 -4.215 -4.247 1.00 0.00 C ATOM 568 C TYR A 35 3.395 -5.578 -3.564 1.00 0.00 C ATOM 569 O TYR A 35 4.251 -6.437 -3.780 1.00 0.00 O ATOM 570 CB TYR A 35 4.205 -3.221 -3.352 1.00 0.00 C ATOM 571 CG TYR A 35 5.551 -3.720 -2.880 1.00 0.00 C ATOM 572 CD1 TYR A 35 6.698 -3.505 -3.633 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.676 -4.407 -1.678 1.00 0.00 C ATOM 574 CE1 TYR A 35 7.930 -3.959 -3.205 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.904 -4.864 -1.241 1.00 0.00 C ATOM 576 CZ TYR A 35 8.028 -4.639 -2.008 1.00 0.00 C ATOM 577 OH TYR A 35 9.254 -5.092 -1.577 1.00 0.00 O ATOM 0 H TYR A 35 1.822 -2.939 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 35 4.005 -4.324 -5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.344 -2.288 -3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.586 -2.994 -2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.625 -2.973 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.798 -4.586 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.812 -3.783 -3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.984 -5.395 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 35 9.150 -5.549 -0.716 1.00 0.00 H new ATOM 587 N LEU A 36 2.371 -5.770 -2.740 1.00 0.00 N ATOM 588 CA LEU A 36 2.189 -7.029 -2.026 1.00 0.00 C ATOM 589 C LEU A 36 1.813 -8.151 -2.986 1.00 0.00 C ATOM 590 O LEU A 36 2.143 -9.315 -2.756 1.00 0.00 O ATOM 591 CB LEU A 36 1.110 -6.877 -0.952 1.00 0.00 C ATOM 592 CG LEU A 36 1.037 -7.994 0.090 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.332 -7.508 1.346 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.328 -9.212 -0.484 1.00 0.00 C ATOM 0 H LEU A 36 1.654 -5.070 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 36 3.134 -7.287 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.274 -5.933 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.141 -6.805 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 36 2.054 -8.282 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.290 -8.317 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.881 -6.666 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.681 -7.192 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.285 -9.997 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.684 -8.938 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.875 -9.575 -1.354 1.00 0.00 H new ATOM 606 N GLN A 37 1.122 -7.793 -4.064 1.00 0.00 N ATOM 607 CA GLN A 37 0.703 -8.772 -5.062 1.00 0.00 C ATOM 608 C GLN A 37 1.884 -9.618 -5.526 1.00 0.00 C ATOM 609 O GLN A 37 1.742 -10.813 -5.782 1.00 0.00 O ATOM 610 CB GLN A 37 0.062 -8.068 -6.259 1.00 0.00 C ATOM 611 CG GLN A 37 -1.457 -8.084 -6.233 1.00 0.00 C ATOM 612 CD GLN A 37 -2.066 -6.929 -7.004 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.353 -6.101 -7.570 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.392 -6.867 -7.028 1.00 0.00 N ATOM 0 H GLN A 37 0.841 -6.834 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.032 -9.432 -4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.406 -7.034 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.406 -8.544 -7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.814 -9.024 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.799 -8.046 -5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.944 -7.575 -6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.858 -6.111 -7.530 1.00 0.00 H new ATOM 623 N HIS A 38 3.051 -8.989 -5.631 1.00 0.00 N ATOM 624 CA HIS A 38 4.258 -9.684 -6.064 1.00 0.00 C ATOM 625 C HIS A 38 4.656 -10.759 -5.057 1.00 0.00 C ATOM 626 O HIS A 38 4.877 -11.913 -5.425 1.00 0.00 O ATOM 627 CB HIS A 38 5.406 -8.691 -6.247 1.00 0.00 C ATOM 628 CG HIS A 38 5.480 -8.109 -7.626 1.00 0.00 C ATOM 629 ND1 HIS A 38 4.413 -7.485 -8.237 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.503 -8.058 -8.510 1.00 0.00 C ATOM 631 CE1 HIS A 38 4.777 -7.076 -9.440 1.00 0.00 C ATOM 632 NE2 HIS A 38 6.040 -7.411 -9.630 1.00 0.00 N ATOM 0 H HIS A 38 3.186 -8.000 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 38 4.048 -10.165 -7.019 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.294 -7.882 -5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.348 -9.191 -6.022 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.498 -8.452 -8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.148 -6.556 -10.147 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.584 -7.220 -10.472 1.00 0.00 H new ATOM 640 N GLN A 39 4.745 -10.372 -3.789 1.00 0.00 N ATOM 641 CA GLN A 39 5.118 -11.304 -2.731 1.00 0.00 C ATOM 642 C GLN A 39 4.177 -12.504 -2.707 1.00 0.00 C ATOM 643 O GLN A 39 4.615 -13.647 -2.563 1.00 0.00 O ATOM 644 CB GLN A 39 5.101 -10.599 -1.374 1.00 0.00 C ATOM 645 CG GLN A 39 5.966 -9.350 -1.326 1.00 0.00 C ATOM 646 CD GLN A 39 7.340 -9.568 -1.929 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.631 -9.093 -3.028 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.194 -10.290 -1.212 1.00 0.00 N ATOM 0 H GLN A 39 4.564 -9.420 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 39 6.127 -11.662 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.074 -10.329 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.441 -11.296 -0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.463 -8.544 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.075 -9.028 -0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.911 -10.664 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.133 -10.470 -1.567 1.00 0.00 H new ATOM 657 N LEU A 40 2.883 -12.238 -2.845 1.00 0.00 N ATOM 658 CA LEU A 40 1.879 -13.296 -2.838 1.00 0.00 C ATOM 659 C LEU A 40 2.084 -14.248 -4.013 1.00 0.00 C ATOM 660 O LEU A 40 2.142 -15.465 -3.835 1.00 0.00 O ATOM 661 CB LEU A 40 0.474 -12.694 -2.895 1.00 0.00 C ATOM 662 CG LEU A 40 -0.530 -13.239 -1.879 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.822 -14.707 -2.151 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.012 -13.050 -0.461 1.00 0.00 C ATOM 0 H LEU A 40 2.504 -11.298 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 40 1.988 -13.861 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.556 -11.616 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.072 -12.854 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.460 -12.680 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.539 -15.077 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.238 -14.816 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.102 -15.281 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.740 -13.444 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.932 -13.582 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.144 -11.988 -0.269 1.00 0.00 H new ATOM 676 N ASP A 41 2.193 -13.686 -5.211 1.00 0.00 N ATOM 677 CA ASP A 41 2.395 -14.485 -6.415 1.00 0.00 C ATOM 678 C ASP A 41 3.603 -15.403 -6.261 1.00 0.00 C ATOM 679 O ASP A 41 3.564 -16.566 -6.662 1.00 0.00 O ATOM 680 CB ASP A 41 2.581 -13.576 -7.631 1.00 0.00 C ATOM 681 CG ASP A 41 2.635 -14.352 -8.931 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.767 -15.226 -9.137 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.545 -14.086 -9.745 1.00 0.00 O ATOM 0 H ASP A 41 2.145 -12.680 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 41 1.509 -15.102 -6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.761 -12.859 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.501 -13.003 -7.515 1.00 0.00 H new ATOM 688 N GLU A 42 4.673 -14.872 -5.679 1.00 0.00 N ATOM 689 CA GLU A 42 5.893 -15.645 -5.476 1.00 0.00 C ATOM 690 C GLU A 42 5.725 -16.633 -4.325 1.00 0.00 C ATOM 691 O GLU A 42 6.355 -17.692 -4.304 1.00 0.00 O ATOM 692 CB GLU A 42 7.073 -14.713 -5.193 1.00 0.00 C ATOM 693 CG GLU A 42 8.272 -15.416 -4.581 1.00 0.00 C ATOM 694 CD GLU A 42 9.592 -14.808 -5.017 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.677 -13.564 -5.087 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.537 -15.578 -5.288 1.00 0.00 O ATOM 0 H GLU A 42 4.720 -13.911 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 42 6.093 -16.206 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.379 -14.235 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.745 -13.920 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.198 -15.373 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.252 -16.469 -4.860 1.00 0.00 H new ATOM 703 N LEU A 43 4.872 -16.280 -3.370 1.00 0.00 N ATOM 704 CA LEU A 43 4.620 -17.135 -2.215 1.00 0.00 C ATOM 705 C LEU A 43 3.842 -18.383 -2.620 1.00 0.00 C ATOM 706 O LEU A 43 4.029 -19.456 -2.049 1.00 0.00 O ATOM 707 CB LEU A 43 3.849 -16.364 -1.143 1.00 0.00 C ATOM 708 CG LEU A 43 3.458 -17.156 0.105 1.00 0.00 C ATOM 709 CD1 LEU A 43 4.561 -17.086 1.149 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.145 -16.640 0.676 1.00 0.00 C ATOM 0 H LEU A 43 4.343 -15.408 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 43 5.582 -17.446 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.453 -15.511 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.941 -15.964 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 43 3.321 -18.199 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.265 -17.655 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.479 -17.506 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.731 -16.046 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.883 -17.216 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.253 -15.589 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.357 -16.745 -0.070 1.00 0.00 H new ATOM 722 N ASN A 44 2.968 -18.232 -3.610 1.00 0.00 N ATOM 723 CA ASN A 44 2.162 -19.348 -4.094 1.00 0.00 C ATOM 724 C ASN A 44 3.049 -20.511 -4.530 1.00 0.00 C ATOM 725 O ASN A 44 2.749 -21.671 -4.250 1.00 0.00 O ATOM 726 CB ASN A 44 1.280 -18.898 -5.260 1.00 0.00 C ATOM 727 CG ASN A 44 0.392 -17.724 -4.894 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.257 -16.772 -5.662 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.218 -17.788 -3.716 1.00 0.00 N ATOM 0 H ASN A 44 2.800 -17.349 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 44 1.526 -19.687 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.912 -18.623 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.659 -19.732 -5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.828 -17.028 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.076 -18.597 -3.112 1.00 0.00 H new ATOM 736 N GLU A 45 4.140 -20.190 -5.217 1.00 0.00 N ATOM 737 CA GLU A 45 5.069 -21.208 -5.692 1.00 0.00 C ATOM 738 C GLU A 45 6.156 -21.479 -4.657 1.00 0.00 C ATOM 739 O GLU A 45 6.457 -22.630 -4.344 1.00 0.00 O ATOM 740 CB GLU A 45 5.705 -20.773 -7.014 1.00 0.00 C ATOM 741 CG GLU A 45 4.759 -20.854 -8.201 1.00 0.00 C ATOM 742 CD GLU A 45 5.172 -19.943 -9.339 1.00 0.00 C ATOM 743 OE1 GLU A 45 4.751 -18.768 -9.344 1.00 0.00 O ATOM 744 OE2 GLU A 45 5.918 -20.406 -10.228 1.00 0.00 O ATOM 0 H GLU A 45 4.402 -19.234 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 45 4.508 -22.128 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.063 -19.748 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.576 -21.398 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.720 -21.882 -8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.752 -20.591 -7.877 1.00 0.00 H new ATOM 751 N ASN A 46 6.743 -20.409 -4.131 1.00 0.00 N ATOM 752 CA ASN A 46 7.798 -20.529 -3.131 1.00 0.00 C ATOM 753 C ASN A 46 7.328 -21.359 -1.941 1.00 0.00 C ATOM 754 O ASN A 46 8.099 -22.120 -1.355 1.00 0.00 O ATOM 755 CB ASN A 46 8.243 -19.144 -2.658 1.00 0.00 C ATOM 756 CG ASN A 46 9.515 -19.195 -1.835 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.220 -20.203 -1.822 1.00 0.00 O ATOM 758 ND2 ASN A 46 9.815 -18.103 -1.141 1.00 0.00 N ATOM 0 H ASN A 46 6.506 -19.449 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 46 8.645 -21.036 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.399 -18.500 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.448 -18.693 -2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.659 -18.078 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.202 -17.289 -1.181 1.00 0.00 H new ATOM 765 N LYS A 47 6.056 -21.207 -1.586 1.00 0.00 N ATOM 766 CA LYS A 47 5.480 -21.943 -0.467 1.00 0.00 C ATOM 767 C LYS A 47 6.337 -21.787 0.785 1.00 0.00 C ATOM 768 O LYS A 47 6.442 -22.708 1.595 1.00 0.00 O ATOM 769 CB LYS A 47 5.341 -23.425 -0.822 1.00 0.00 C ATOM 770 CG LYS A 47 4.285 -23.701 -1.878 1.00 0.00 C ATOM 771 CD LYS A 47 2.886 -23.428 -1.354 1.00 0.00 C ATOM 772 CE LYS A 47 1.851 -24.301 -2.047 1.00 0.00 C ATOM 773 NZ LYS A 47 1.995 -24.262 -3.528 1.00 0.00 N ATOM 0 H LYS A 47 5.404 -20.580 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 47 4.492 -21.531 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.303 -23.797 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.095 -23.985 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.474 -23.080 -2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.357 -24.739 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.857 -23.610 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.638 -22.378 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.952 -25.329 -1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.851 -23.967 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.096 -24.539 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.246 -23.298 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.744 -24.922 -3.821 1.00 0.00 H new ATOM 787 N SER A 48 6.946 -20.615 0.938 1.00 0.00 N ATOM 788 CA SER A 48 7.795 -20.340 2.091 1.00 0.00 C ATOM 789 C SER A 48 6.954 -20.096 3.340 1.00 0.00 C ATOM 790 O SER A 48 6.116 -19.195 3.373 1.00 0.00 O ATOM 791 CB SER A 48 8.687 -19.127 1.816 1.00 0.00 C ATOM 792 OG SER A 48 9.304 -18.669 3.007 1.00 0.00 O ATOM 0 H SER A 48 6.867 -19.841 0.278 1.00 0.00 H new ATOM 0 HA SER A 48 8.424 -21.213 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.451 -19.391 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.092 -18.325 1.379 1.00 0.00 H new ATOM 0 HG SER A 48 9.870 -17.895 2.805 1.00 0.00 H new ATOM 798 N LYS A 49 7.183 -20.907 4.367 1.00 0.00 N ATOM 799 CA LYS A 49 6.449 -20.780 5.621 1.00 0.00 C ATOM 800 C LYS A 49 6.652 -19.398 6.233 1.00 0.00 C ATOM 801 O LYS A 49 5.718 -18.810 6.779 1.00 0.00 O ATOM 802 CB LYS A 49 6.899 -21.858 6.610 1.00 0.00 C ATOM 803 CG LYS A 49 8.401 -21.893 6.831 1.00 0.00 C ATOM 804 CD LYS A 49 8.946 -23.308 6.734 1.00 0.00 C ATOM 805 CE LYS A 49 10.308 -23.336 6.056 1.00 0.00 C ATOM 806 NZ LYS A 49 10.494 -24.566 5.237 1.00 0.00 N ATOM 0 H LYS A 49 7.871 -21.660 4.356 1.00 0.00 H new ATOM 0 HA LYS A 49 5.388 -20.911 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.403 -21.691 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.571 -22.832 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.893 -21.261 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.635 -21.478 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.027 -23.737 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.247 -23.931 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.416 -22.457 5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.091 -23.281 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.434 -24.548 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.416 -25.404 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.762 -24.606 4.499 1.00 0.00 H new ATOM 820 N GLU A 50 7.874 -18.885 6.135 1.00 0.00 N ATOM 821 CA GLU A 50 8.197 -17.572 6.680 1.00 0.00 C ATOM 822 C GLU A 50 7.505 -16.469 5.884 1.00 0.00 C ATOM 823 O GLU A 50 6.810 -15.622 6.448 1.00 0.00 O ATOM 824 CB GLU A 50 9.710 -17.350 6.672 1.00 0.00 C ATOM 825 CG GLU A 50 10.419 -17.938 7.880 1.00 0.00 C ATOM 826 CD GLU A 50 11.929 -17.859 7.767 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.477 -18.391 6.779 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.562 -17.267 8.665 1.00 0.00 O ATOM 0 H GLU A 50 8.656 -19.359 5.683 1.00 0.00 H new ATOM 0 HA GLU A 50 7.838 -17.535 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.128 -17.790 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.911 -16.280 6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.098 -17.410 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.122 -18.980 7.999 1.00 0.00 H new ATOM 835 N LEU A 51 7.700 -16.485 4.570 1.00 0.00 N ATOM 836 CA LEU A 51 7.097 -15.486 3.695 1.00 0.00 C ATOM 837 C LEU A 51 5.587 -15.418 3.905 1.00 0.00 C ATOM 838 O LEU A 51 4.996 -14.340 3.889 1.00 0.00 O ATOM 839 CB LEU A 51 7.406 -15.807 2.232 1.00 0.00 C ATOM 840 CG LEU A 51 6.873 -14.814 1.199 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.371 -13.410 1.501 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.279 -15.235 -0.205 1.00 0.00 C ATOM 0 H LEU A 51 8.271 -17.179 4.087 1.00 0.00 H new ATOM 0 HA LEU A 51 7.524 -14.515 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.488 -15.875 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.999 -16.792 2.003 1.00 0.00 H new ATOM 0 HG LEU A 51 5.784 -14.811 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.981 -12.717 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.029 -13.108 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.461 -13.397 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.891 -14.516 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.366 -15.268 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.871 -16.223 -0.421 1.00 0.00 H new ATOM 854 N GLN A 52 4.970 -16.579 4.104 1.00 0.00 N ATOM 855 CA GLN A 52 3.530 -16.652 4.318 1.00 0.00 C ATOM 856 C GLN A 52 3.150 -16.053 5.668 1.00 0.00 C ATOM 857 O GLN A 52 2.327 -15.141 5.743 1.00 0.00 O ATOM 858 CB GLN A 52 3.054 -18.103 4.239 1.00 0.00 C ATOM 859 CG GLN A 52 1.608 -18.294 4.669 1.00 0.00 C ATOM 860 CD GLN A 52 1.482 -19.077 5.960 1.00 0.00 C ATOM 861 OE1 GLN A 52 2.075 -20.265 5.993 1.00 0.00 O flip ATOM 862 NE2 GLN A 52 0.858 -18.619 6.919 1.00 0.00 N flip ATOM 0 H GLN A 52 5.445 -17.481 4.121 1.00 0.00 H new ATOM 0 HA GLN A 52 3.042 -16.074 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.170 -18.459 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.696 -18.722 4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.138 -17.318 4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.064 -18.812 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.418 -17.701 6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.782 -19.157 7.782 1.00 0.00 H new ATOM 871 N GLU A 53 3.755 -16.572 6.732 1.00 0.00 N ATOM 872 CA GLU A 53 3.478 -16.088 8.080 1.00 0.00 C ATOM 873 C GLU A 53 3.642 -14.573 8.158 1.00 0.00 C ATOM 874 O GLU A 53 2.954 -13.902 8.928 1.00 0.00 O ATOM 875 CB GLU A 53 4.408 -16.765 9.090 1.00 0.00 C ATOM 876 CG GLU A 53 3.863 -18.074 9.637 1.00 0.00 C ATOM 877 CD GLU A 53 4.798 -18.723 10.638 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.959 -18.275 10.741 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.369 -19.678 11.318 1.00 0.00 O ATOM 0 H GLU A 53 4.440 -17.327 6.687 1.00 0.00 H new ATOM 0 HA GLU A 53 2.445 -16.338 8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.371 -16.952 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.589 -16.082 9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.899 -17.892 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.686 -18.763 8.811 1.00 0.00 H new ATOM 886 N LYS A 54 4.557 -14.040 7.356 1.00 0.00 N ATOM 887 CA LYS A 54 4.812 -12.605 7.332 1.00 0.00 C ATOM 888 C LYS A 54 3.691 -11.865 6.610 1.00 0.00 C ATOM 889 O LYS A 54 3.133 -10.900 7.133 1.00 0.00 O ATOM 890 CB LYS A 54 6.151 -12.316 6.650 1.00 0.00 C ATOM 891 CG LYS A 54 7.358 -12.683 7.496 1.00 0.00 C ATOM 892 CD LYS A 54 7.420 -11.853 8.767 1.00 0.00 C ATOM 893 CE LYS A 54 8.849 -11.711 9.270 1.00 0.00 C ATOM 894 NZ LYS A 54 9.459 -13.031 9.587 1.00 0.00 N ATOM 0 H LYS A 54 5.135 -14.581 6.713 1.00 0.00 H new ATOM 0 HA LYS A 54 4.852 -12.251 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.196 -12.866 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.201 -11.256 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.315 -13.741 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.269 -12.532 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.999 -10.865 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.806 -12.319 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.451 -11.205 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.860 -11.083 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.393 -12.887 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.845 -13.547 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.566 -13.583 8.712 1.00 0.00 H new ATOM 908 N ILE A 55 3.366 -12.324 5.406 1.00 0.00 N ATOM 909 CA ILE A 55 2.309 -11.706 4.613 1.00 0.00 C ATOM 910 C ILE A 55 0.981 -11.719 5.363 1.00 0.00 C ATOM 911 O ILE A 55 0.207 -10.764 5.290 1.00 0.00 O ATOM 912 CB ILE A 55 2.130 -12.421 3.260 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.410 -12.314 2.429 1.00 0.00 C ATOM 914 CG2 ILE A 55 0.949 -11.830 2.503 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.583 -13.446 1.440 1.00 0.00 C ATOM 0 H ILE A 55 3.819 -13.121 4.958 1.00 0.00 H new ATOM 0 HA ILE A 55 2.611 -10.674 4.432 1.00 0.00 H new ATOM 0 HB ILE A 55 1.928 -13.476 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.405 -11.367 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.269 -12.294 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.834 -12.344 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.041 -11.952 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.125 -10.769 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.511 -13.306 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.620 -14.395 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.743 -13.454 0.746 1.00 0.00 H new ATOM 927 N ILE A 56 0.726 -12.805 6.084 1.00 0.00 N ATOM 928 CA ILE A 56 -0.507 -12.941 6.849 1.00 0.00 C ATOM 929 C ILE A 56 -0.651 -11.811 7.863 1.00 0.00 C ATOM 930 O ILE A 56 -1.698 -11.168 7.946 1.00 0.00 O ATOM 931 CB ILE A 56 -0.565 -14.290 7.589 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.707 -15.440 6.588 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.717 -14.301 8.584 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.047 -15.466 5.886 1.00 0.00 C ATOM 0 H ILE A 56 1.357 -13.604 6.155 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.329 -12.893 6.135 1.00 0.00 H new ATOM 0 HB ILE A 56 0.366 -14.425 8.140 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.084 -15.362 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.560 -16.386 7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.744 -15.261 9.099 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.576 -13.503 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.657 -14.147 8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.078 -16.306 5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.842 -15.575 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.188 -14.535 5.336 1.00 0.00 H new ATOM 946 N ARG A 57 0.406 -11.575 8.633 1.00 0.00 N ATOM 947 CA ARG A 57 0.398 -10.522 9.641 1.00 0.00 C ATOM 948 C ARG A 57 0.249 -9.149 8.993 1.00 0.00 C ATOM 949 O ARG A 57 -0.624 -8.367 9.367 1.00 0.00 O ATOM 950 CB ARG A 57 1.683 -10.570 10.469 1.00 0.00 C ATOM 951 CG ARG A 57 1.568 -11.423 11.722 1.00 0.00 C ATOM 952 CD ARG A 57 1.613 -12.907 11.393 1.00 0.00 C ATOM 953 NE ARG A 57 1.121 -13.728 12.496 1.00 0.00 N ATOM 954 CZ ARG A 57 -0.164 -13.839 12.814 1.00 0.00 C ATOM 955 NH1 ARG A 57 -1.081 -13.186 12.115 1.00 0.00 N ATOM 956 NH2 ARG A 57 -0.533 -14.606 13.831 1.00 0.00 N ATOM 0 H ARG A 57 1.279 -12.099 8.578 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.456 -10.689 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.491 -10.958 9.848 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.959 -9.555 10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.379 -11.176 12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.635 -11.192 12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.014 -13.099 10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.637 -13.195 11.156 1.00 0.00 H new ATOM 0 HE ARG A 57 1.802 -14.245 13.053 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.801 -12.597 11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.067 -13.273 12.361 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.170 -15.111 14.370 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.520 -14.690 14.074 1.00 0.00 H new ATOM 970 N GLU A 58 1.109 -8.864 8.020 1.00 0.00 N ATOM 971 CA GLU A 58 1.073 -7.584 7.321 1.00 0.00 C ATOM 972 C GLU A 58 -0.305 -7.333 6.716 1.00 0.00 C ATOM 973 O GLU A 58 -0.910 -6.282 6.935 1.00 0.00 O ATOM 974 CB GLU A 58 2.138 -7.547 6.223 1.00 0.00 C ATOM 975 CG GLU A 58 3.400 -6.803 6.625 1.00 0.00 C ATOM 976 CD GLU A 58 4.658 -7.448 6.075 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.927 -8.616 6.427 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.374 -6.786 5.295 1.00 0.00 O ATOM 0 H GLU A 58 1.838 -9.501 7.698 1.00 0.00 H new ATOM 0 HA GLU A 58 1.281 -6.797 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.400 -8.569 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.716 -7.077 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.339 -5.774 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.463 -6.762 7.712 1.00 0.00 H new ATOM 985 N LEU A 59 -0.796 -8.304 5.953 1.00 0.00 N ATOM 986 CA LEU A 59 -2.103 -8.190 5.315 1.00 0.00 C ATOM 987 C LEU A 59 -3.214 -8.125 6.358 1.00 0.00 C ATOM 988 O LEU A 59 -4.253 -7.504 6.136 1.00 0.00 O ATOM 989 CB LEU A 59 -2.338 -9.372 4.375 1.00 0.00 C ATOM 990 CG LEU A 59 -3.209 -9.092 3.149 1.00 0.00 C ATOM 991 CD1 LEU A 59 -3.179 -10.273 2.191 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.638 -8.782 3.570 1.00 0.00 C ATOM 0 H LEU A 59 -0.308 -9.179 5.761 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.119 -7.266 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.369 -9.736 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.798 -10.179 4.946 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.806 -8.221 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.804 -10.055 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.155 -10.450 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.557 -11.162 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.243 -8.585 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.051 -9.634 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.645 -7.904 4.216 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.987 -8.769 7.498 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.967 -8.783 8.577 1.00 0.00 C ATOM 1006 C ASP A 60 -4.158 -7.384 9.155 1.00 0.00 C ATOM 1007 O ASP A 60 -5.276 -6.873 9.215 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.531 -9.749 9.679 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.452 -9.709 10.883 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.658 -9.984 10.715 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -3.967 -9.403 11.992 1.00 0.00 O ATOM 0 H ASP A 60 -2.132 -9.288 7.698 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.919 -9.120 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.504 -10.763 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.517 -9.503 9.993 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.059 -6.770 9.581 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.104 -5.431 10.155 1.00 0.00 C ATOM 1018 C VAL A 61 -3.572 -4.408 9.126 1.00 0.00 C ATOM 1019 O VAL A 61 -4.331 -3.492 9.445 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.727 -5.005 10.697 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.336 -5.859 11.893 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.674 -5.093 9.602 1.00 0.00 C ATOM 0 H VAL A 61 -2.126 -7.179 9.539 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.815 -5.464 10.980 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.791 -3.968 11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.360 -5.543 12.262 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.078 -5.741 12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.289 -6.906 11.593 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.293 -4.788 10.002 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.610 -6.119 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.950 -4.434 8.778 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.115 -4.570 7.889 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.488 -3.662 6.810 1.00 0.00 C ATOM 1034 C VAL A 62 -4.966 -3.797 6.464 1.00 0.00 C ATOM 1035 O VAL A 62 -5.714 -2.819 6.496 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.649 -3.919 5.545 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.156 -3.072 4.387 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.179 -3.642 5.815 1.00 0.00 C ATOM 0 H VAL A 62 -2.485 -5.322 7.608 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.293 -2.650 7.166 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.752 -4.968 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.551 -3.267 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.196 -3.325 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.085 -2.017 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.601 -3.829 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.054 -2.602 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.826 -4.296 6.612 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.381 -5.015 6.133 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.772 -5.279 5.780 1.00 0.00 C ATOM 1050 C CYS A 63 -7.700 -4.945 6.943 1.00 0.00 C ATOM 1051 O CYS A 63 -8.867 -4.604 6.740 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.947 -6.743 5.376 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.665 -7.229 5.087 1.00 0.00 S ATOM 0 H CYS A 63 -4.775 -5.835 6.102 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.035 -4.643 4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.370 -6.930 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.528 -7.377 6.157 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.704 -8.464 4.682 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.178 -5.046 8.160 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.960 -4.753 9.355 1.00 0.00 C ATOM 1061 C ALA A 64 -8.234 -3.259 9.480 1.00 0.00 C ATOM 1062 O ALA A 64 -9.387 -2.832 9.530 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.241 -5.266 10.594 1.00 0.00 C ATOM 0 H ALA A 64 -6.216 -5.329 8.345 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.919 -5.264 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.836 -5.041 11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.103 -6.344 10.514 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.268 -4.781 10.677 1.00 0.00 H new ATOM 1069 N MET A 65 -7.166 -2.468 9.531 1.00 0.00 N ATOM 1070 CA MET A 65 -7.293 -1.020 9.649 1.00 0.00 C ATOM 1071 C MET A 65 -8.036 -0.440 8.450 1.00 0.00 C ATOM 1072 O MET A 65 -8.760 0.549 8.577 1.00 0.00 O ATOM 1073 CB MET A 65 -5.911 -0.375 9.770 1.00 0.00 C ATOM 1074 CG MET A 65 -5.172 -0.270 8.446 1.00 0.00 C ATOM 1075 SD MET A 65 -3.522 0.434 8.625 1.00 0.00 S ATOM 1076 CE MET A 65 -2.658 -0.922 9.413 1.00 0.00 C ATOM 0 H MET A 65 -6.204 -2.806 9.492 1.00 0.00 H new ATOM 0 HA MET A 65 -7.868 -0.802 10.549 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.021 0.622 10.196 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.308 -0.955 10.468 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.093 -1.261 7.999 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.752 0.345 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.810 -0.534 9.978 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.337 -1.442 10.089 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.300 -1.616 8.653 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.852 -1.059 7.289 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.506 -0.603 6.070 1.00 0.00 C ATOM 1088 C ILE A 66 -9.994 -0.934 6.085 1.00 0.00 C ATOM 1089 O ILE A 66 -10.832 -0.087 5.783 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.865 -1.232 4.818 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.825 -0.281 4.219 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.933 -1.573 3.791 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.773 0.166 5.210 1.00 0.00 C ATOM 0 H ILE A 66 -7.255 -1.877 7.167 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.378 0.479 6.031 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.362 -2.154 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.335 -0.774 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.334 0.597 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.464 -2.016 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.639 -2.282 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.462 -0.665 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.070 0.837 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.252 0.687 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.238 -0.704 5.590 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.314 -2.174 6.444 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.702 -2.618 6.500 1.00 0.00 C ATOM 1107 C GLU A 67 -12.508 -1.759 7.470 1.00 0.00 C ATOM 1108 O GLU A 67 -13.607 -1.309 7.150 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.774 -4.087 6.922 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.646 -5.061 5.763 1.00 0.00 C ATOM 1111 CD GLU A 67 -12.954 -5.259 5.021 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.906 -4.492 5.279 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -13.026 -6.181 4.182 1.00 0.00 O ATOM 0 H GLU A 67 -9.632 -2.888 6.700 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.132 -2.512 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.982 -4.288 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.721 -4.264 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.890 -4.696 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.296 -6.023 6.138 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.953 -1.536 8.657 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.634 -0.733 9.655 1.00 0.00 C ATOM 1122 C GLY A 68 -12.705 0.732 9.271 1.00 0.00 C ATOM 1123 O GLY A 68 -13.766 1.350 9.348 1.00 0.00 O ATOM 0 H GLY A 68 -11.044 -1.897 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.644 -1.117 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.117 -0.831 10.610 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.572 1.290 8.856 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.510 2.690 8.459 1.00 0.00 C ATOM 1129 C ALA A 69 -12.436 2.967 7.279 1.00 0.00 C ATOM 1130 O ALA A 69 -13.281 3.859 7.338 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.080 3.078 8.113 1.00 0.00 C ATOM 0 H ALA A 69 -10.684 0.792 8.786 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.845 3.296 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.049 4.127 7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.441 2.927 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.724 2.459 7.290 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.271 2.195 6.210 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.091 2.359 5.016 1.00 0.00 C ATOM 1139 C GLN A 70 -14.567 2.137 5.334 1.00 0.00 C ATOM 1140 O GLN A 70 -15.424 2.921 4.931 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.640 1.387 3.924 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.872 1.907 2.514 1.00 0.00 C ATOM 1143 CD GLN A 70 -14.254 1.575 1.988 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -14.627 0.303 2.063 1.00 0.00 O flip ATOM 1145 NE2 GLN A 70 -14.979 2.453 1.519 1.00 0.00 N flip ATOM 0 H GLN A 70 -11.577 1.450 6.146 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.965 3.381 4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.579 1.174 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.172 0.443 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.733 2.988 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.122 1.482 1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.652 3.418 1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.907 2.215 1.169 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.854 1.061 6.061 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.226 0.755 6.421 1.00 0.00 C ATOM 1156 C GLY A 71 -16.897 1.890 7.166 1.00 0.00 C ATOM 1157 O GLY A 71 -17.982 2.334 6.790 1.00 0.00 O ATOM 0 H GLY A 71 -14.161 0.397 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.794 0.532 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.244 -0.142 7.039 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.253 2.362 8.229 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.795 3.453 9.029 1.00 0.00 C ATOM 1163 C ALA A 72 -16.807 4.758 8.241 1.00 0.00 C ATOM 1164 O ALA A 72 -17.713 5.580 8.394 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.992 3.616 10.311 1.00 0.00 C ATOM 0 H ALA A 72 -15.355 2.005 8.556 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.825 3.205 9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.408 4.434 10.899 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.039 2.693 10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.954 3.837 10.064 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.798 4.943 7.396 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.693 6.151 6.584 1.00 0.00 C ATOM 1173 C LEU A 73 -16.843 6.236 5.585 1.00 0.00 C ATOM 1174 O LEU A 73 -17.569 7.229 5.544 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.355 6.174 5.842 1.00 0.00 C ATOM 1176 CG LEU A 73 -14.111 7.382 4.937 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -13.272 8.427 5.655 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -13.437 6.951 3.642 1.00 0.00 C ATOM 0 H LEU A 73 -15.042 4.273 7.255 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.748 7.013 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.553 6.129 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.283 5.271 5.236 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.075 7.827 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.109 9.279 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.794 8.758 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.311 7.994 5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.271 7.824 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.480 6.480 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.076 6.240 3.118 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.002 5.188 4.782 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.064 5.146 3.785 1.00 0.00 C ATOM 1192 C GLU A 74 -19.437 5.200 4.450 1.00 0.00 C ATOM 1193 O GLU A 74 -20.363 5.828 3.935 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.947 3.878 2.936 1.00 0.00 C ATOM 1195 CG GLU A 74 -18.299 2.607 3.689 1.00 0.00 C ATOM 1196 CD GLU A 74 -18.159 1.363 2.832 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.644 1.477 1.700 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -18.564 0.276 3.294 1.00 0.00 O ATOM 0 H GLU A 74 -16.409 4.358 4.803 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.956 6.018 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.601 3.970 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.928 3.796 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.654 2.516 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.323 2.678 4.055 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.560 4.538 5.595 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.820 4.509 6.329 1.00 0.00 C ATOM 1207 C ARG A 75 -21.121 5.871 6.946 1.00 0.00 C ATOM 1208 O ARG A 75 -22.282 6.243 7.116 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.772 3.441 7.424 1.00 0.00 C ATOM 1210 CG ARG A 75 -22.144 2.996 7.902 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.861 2.168 6.845 1.00 0.00 C ATOM 1212 NE ARG A 75 -24.313 2.263 6.969 1.00 0.00 N ATOM 1213 CZ ARG A 75 -25.159 1.479 6.309 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -24.699 0.548 5.485 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -26.467 1.626 6.474 1.00 0.00 N ATOM 0 H ARG A 75 -18.803 4.014 6.035 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.616 4.264 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.228 2.574 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -20.209 3.828 8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.040 2.411 8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.745 3.871 8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.559 2.505 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.557 1.125 6.933 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.699 2.969 7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -23.694 0.432 5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -25.350 -0.053 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.824 2.341 7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.116 1.024 5.967 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.067 6.610 7.279 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.219 7.931 7.878 1.00 0.00 C ATOM 1231 C GLU A 76 -20.586 8.970 6.821 1.00 0.00 C ATOM 1232 O GLU A 76 -21.497 9.774 7.015 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.929 8.345 8.590 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.971 9.756 9.153 1.00 0.00 C ATOM 1235 CD GLU A 76 -17.772 10.070 10.025 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -16.658 9.614 9.689 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -17.945 10.773 11.043 1.00 0.00 O ATOM 0 H GLU A 76 -19.099 6.317 7.144 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.027 7.879 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.731 7.645 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.097 8.266 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.015 10.470 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.883 9.884 9.736 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.869 8.944 5.703 1.00 0.00 N ATOM 1245 CA LEU A 77 -20.118 9.883 4.614 1.00 0.00 C ATOM 1246 C LEU A 77 -21.412 9.538 3.883 1.00 0.00 C ATOM 1247 O LEU A 77 -22.050 10.406 3.286 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.946 9.875 3.631 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.577 8.515 3.037 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.322 8.283 1.732 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.073 8.419 2.819 1.00 0.00 C ATOM 0 H LEU A 77 -19.112 8.284 5.527 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.219 10.880 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.180 10.555 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.069 10.277 4.139 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.872 7.739 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.047 7.310 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.396 8.308 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.058 9.064 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.828 7.445 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.754 9.203 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.559 8.540 3.772 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.795 8.268 3.936 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.016 7.809 3.283 1.00 0.00 C ATOM 1265 C LYS A 78 -24.235 8.538 3.835 1.00 0.00 C ATOM 1266 O LYS A 78 -25.294 8.562 3.205 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.183 6.299 3.471 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.713 5.482 2.281 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.617 5.683 1.076 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.811 5.827 -0.207 1.00 0.00 C ATOM 1271 NZ LYS A 78 -21.894 6.998 -0.157 1.00 0.00 N ATOM 0 H LYS A 78 -21.278 7.537 4.424 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.934 8.030 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.628 5.988 4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.234 6.079 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.693 5.766 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.692 4.426 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.299 4.837 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.230 6.572 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.232 4.919 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.490 5.934 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.516 7.184 -1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.415 7.833 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -21.108 6.796 0.494 1.00 0.00 H new ATOM 1285 N ARG A 79 -24.081 9.134 5.012 1.00 0.00 N ATOM 1286 CA ARG A 79 -25.171 9.864 5.648 1.00 0.00 C ATOM 1287 C ARG A 79 -25.315 11.259 5.046 1.00 0.00 C ATOM 1288 O ARG A 79 -26.390 11.859 5.090 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.932 9.970 7.156 1.00 0.00 C ATOM 1290 CG ARG A 79 -26.057 10.668 7.903 1.00 0.00 C ATOM 1291 CD ARG A 79 -25.640 12.054 8.369 1.00 0.00 C ATOM 1292 NE ARG A 79 -25.002 12.020 9.683 1.00 0.00 N ATOM 1293 CZ ARG A 79 -24.245 13.004 10.157 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -24.032 14.091 9.429 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -23.699 12.900 11.362 1.00 0.00 N ATOM 0 H ARG A 79 -23.211 9.126 5.545 1.00 0.00 H new ATOM 0 HA ARG A 79 -26.095 9.313 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -24.802 8.969 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -24.001 10.510 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -26.930 10.748 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -26.352 10.067 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -24.953 12.489 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -26.515 12.702 8.408 1.00 0.00 H new ATOM 0 HE ARG A 79 -25.145 11.197 10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -24.450 14.174 8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -23.450 14.845 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -23.860 12.065 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -23.118 13.655 11.726 1.00 0.00 H new ATOM 1309 N THR A 80 -24.224 11.770 4.484 1.00 0.00 N ATOM 1310 CA THR A 80 -24.228 13.093 3.874 1.00 0.00 C ATOM 1311 C THR A 80 -25.374 13.239 2.880 1.00 0.00 C ATOM 1312 O THR A 80 -26.040 12.260 2.538 1.00 0.00 O ATOM 1313 CB THR A 80 -22.898 13.383 3.151 1.00 0.00 C ATOM 1314 OG1 THR A 80 -22.769 12.536 2.005 1.00 0.00 O ATOM 1315 CG2 THR A 80 -21.716 13.165 4.085 1.00 0.00 C ATOM 0 H THR A 80 -23.327 11.287 4.439 1.00 0.00 H new ATOM 0 HA THR A 80 -24.359 13.812 4.683 1.00 0.00 H new ATOM 0 HB THR A 80 -22.902 14.426 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 80 -22.696 11.603 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 80 -20.788 13.376 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 80 -21.802 13.832 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.710 12.131 4.429 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.601 14.464 2.419 1.00 0.00 N ATOM 1324 CA ASP A 81 -26.667 14.736 1.463 1.00 0.00 C ATOM 1325 C ASP A 81 -26.229 14.381 0.046 1.00 0.00 C ATOM 1326 O ASP A 81 -25.133 13.860 -0.165 1.00 0.00 O ATOM 1327 CB ASP A 81 -27.077 16.208 1.529 1.00 0.00 C ATOM 1328 CG ASP A 81 -28.573 16.400 1.370 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -29.296 16.289 2.383 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -29.020 16.662 0.235 1.00 0.00 O ATOM 0 H ASP A 81 -25.060 15.285 2.692 1.00 0.00 H new ATOM 0 HA ASP A 81 -27.524 14.116 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -26.759 16.628 2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -26.557 16.762 0.747 1.00 0.00 H new ATOM 1335 N LEU A 82 -27.094 14.663 -0.924 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.797 14.373 -2.322 1.00 0.00 C ATOM 1337 C LEU A 82 -26.247 15.607 -3.030 1.00 0.00 C ATOM 1338 O LEU A 82 -26.470 16.735 -2.595 1.00 0.00 O ATOM 1339 CB LEU A 82 -28.055 13.877 -3.038 1.00 0.00 C ATOM 1340 CG LEU A 82 -27.835 12.841 -4.140 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -28.969 11.827 -4.153 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -27.710 13.520 -5.495 1.00 0.00 C ATOM 0 H LEU A 82 -28.006 15.092 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 82 -26.037 13.592 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -28.728 13.450 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.565 14.737 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 82 -26.904 12.313 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -28.796 11.097 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -29.011 11.316 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -29.914 12.340 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -27.554 12.766 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -28.623 14.075 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -26.863 14.206 -5.481 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.529 15.383 -4.126 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.949 16.477 -4.896 1.00 0.00 C ATOM 1356 C ASN A 83 -24.185 15.946 -6.105 1.00 0.00 C ATOM 1357 O ASN A 83 -23.708 14.811 -6.100 1.00 0.00 O ATOM 1358 CB ASN A 83 -24.016 17.310 -4.015 1.00 0.00 C ATOM 1359 CG ASN A 83 -24.537 18.716 -3.788 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.780 19.125 -2.652 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.713 19.464 -4.872 1.00 0.00 N ATOM 0 H ASN A 83 -25.335 14.454 -4.500 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.763 17.109 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.889 16.813 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -23.031 17.361 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -25.062 20.418 -4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -24.499 19.084 -5.794 1.00 0.00 H new ATOM 1368 N ILE A 84 -24.072 16.775 -7.137 1.00 0.00 N ATOM 1369 CA ILE A 84 -23.364 16.390 -8.352 1.00 0.00 C ATOM 1370 C ILE A 84 -21.901 16.070 -8.058 1.00 0.00 C ATOM 1371 O ILE A 84 -21.426 14.971 -8.342 1.00 0.00 O ATOM 1372 CB ILE A 84 -23.431 17.497 -9.418 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.888 17.818 -9.762 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.667 17.080 -10.667 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -25.059 19.111 -10.527 1.00 0.00 C ATOM 0 H ILE A 84 -24.461 17.718 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.859 15.498 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.965 18.396 -9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -25.302 17.000 -10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.467 17.872 -8.840 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.725 17.875 -11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.623 16.897 -10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -23.105 16.169 -11.074 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -26.116 19.273 -10.736 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.676 19.940 -9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.508 19.054 -11.466 1.00 0.00 H new ATOM 1387 N LEU A 85 -21.194 17.038 -7.487 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.785 16.861 -7.152 1.00 0.00 C ATOM 1389 C LEU A 85 -19.605 15.743 -6.130 1.00 0.00 C ATOM 1390 O LEU A 85 -18.769 14.857 -6.306 1.00 0.00 O ATOM 1391 CB LEU A 85 -19.203 18.165 -6.605 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.676 18.248 -6.550 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -17.223 19.697 -6.483 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -17.143 17.463 -5.361 1.00 0.00 C ATOM 0 H LEU A 85 -21.573 17.954 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 85 -19.252 16.586 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.570 18.988 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -19.592 18.319 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.273 17.806 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.134 19.736 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -17.574 20.229 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.635 20.166 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.055 17.533 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.553 17.875 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.438 16.418 -5.454 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.397 15.789 -5.064 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.325 14.779 -4.015 1.00 0.00 C ATOM 1408 C GLU A 86 -20.549 13.382 -4.589 1.00 0.00 C ATOM 1409 O GLU A 86 -19.837 12.437 -4.247 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.361 15.067 -2.926 1.00 0.00 C ATOM 1411 CG GLU A 86 -21.137 16.386 -2.206 1.00 0.00 C ATOM 1412 CD GLU A 86 -19.710 16.548 -1.718 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -19.345 15.893 -0.720 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -18.959 17.332 -2.335 1.00 0.00 O ATOM 0 H GLU A 86 -21.096 16.515 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.328 14.818 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.355 15.071 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.344 14.257 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -21.383 17.209 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.817 16.453 -1.357 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.542 13.260 -5.462 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.861 11.980 -6.083 1.00 0.00 C ATOM 1423 C ARG A 87 -20.684 11.466 -6.905 1.00 0.00 C ATOM 1424 O ARG A 87 -20.314 10.295 -6.814 1.00 0.00 O ATOM 1425 CB ARG A 87 -23.098 12.114 -6.973 1.00 0.00 C ATOM 1426 CG ARG A 87 -24.411 12.002 -6.214 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.724 10.558 -5.852 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.897 9.723 -7.038 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.007 9.706 -7.769 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -27.034 10.474 -7.437 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -26.088 8.919 -8.834 1.00 0.00 N ATOM 0 H ARG A 87 -22.140 14.032 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 87 -22.069 11.262 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.065 13.076 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -23.066 11.343 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -24.360 12.603 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -25.219 12.409 -6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -23.918 10.155 -5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -25.631 10.524 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.124 9.120 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -26.974 11.080 -6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -27.885 10.459 -8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -25.298 8.327 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -26.940 8.906 -9.395 1.00 0.00 H new ATOM 1445 N PHE A 88 -20.098 12.348 -7.707 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.963 11.983 -8.547 1.00 0.00 C ATOM 1447 C PHE A 88 -17.811 11.448 -7.701 1.00 0.00 C ATOM 1448 O PHE A 88 -17.329 10.338 -7.921 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.495 13.190 -9.361 1.00 0.00 C ATOM 1450 CG PHE A 88 -17.212 12.951 -10.106 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -17.131 11.959 -11.069 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -16.090 13.719 -9.842 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.951 11.735 -11.754 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.908 13.500 -10.525 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.839 12.508 -11.483 1.00 0.00 C ATOM 0 H PHE A 88 -20.390 13.321 -7.793 1.00 0.00 H new ATOM 0 HA PHE A 88 -19.286 11.197 -9.229 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.274 13.462 -10.073 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.364 14.041 -8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.999 11.354 -11.287 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -16.139 14.497 -9.095 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.899 10.956 -12.500 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.039 14.104 -10.309 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.917 12.337 -12.019 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.374 12.247 -6.733 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.278 11.855 -5.855 1.00 0.00 C ATOM 1467 C ASN A 89 -16.631 10.593 -5.075 1.00 0.00 C ATOM 1468 O ASN A 89 -15.804 9.694 -4.920 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.943 12.991 -4.885 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.520 14.258 -5.603 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.594 14.344 -6.829 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -15.074 15.249 -4.840 1.00 0.00 N ATOM 0 H ASN A 89 -17.762 13.170 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.406 11.646 -6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.813 13.202 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.143 12.671 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.775 16.126 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.030 15.133 -3.828 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.865 10.532 -4.586 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.327 9.381 -3.819 1.00 0.00 C ATOM 1481 C TYR A 90 -18.297 8.114 -4.669 1.00 0.00 C ATOM 1482 O TYR A 90 -17.866 7.056 -4.211 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.744 9.625 -3.298 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.784 10.363 -1.977 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.896 11.398 -1.710 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.710 10.024 -0.998 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.930 12.073 -0.506 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.751 10.696 0.208 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.858 11.719 0.450 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.895 12.390 1.650 1.00 0.00 O ATOM 0 H TYR A 90 -18.563 11.266 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.654 9.246 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.302 10.195 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.251 8.667 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.168 11.679 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.409 9.222 -1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.233 12.875 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.479 10.422 0.958 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.826 12.582 1.889 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.761 8.230 -5.910 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.787 7.094 -6.824 1.00 0.00 C ATOM 1502 C GLU A 91 -17.379 6.563 -7.074 1.00 0.00 C ATOM 1503 O GLU A 91 -17.108 5.378 -6.881 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.436 7.494 -8.150 1.00 0.00 C ATOM 1505 CG GLU A 91 -20.057 6.328 -8.900 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.959 6.777 -10.033 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.140 8.001 -10.199 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.484 5.902 -10.755 1.00 0.00 O ATOM 0 H GLU A 91 -19.123 9.098 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.377 6.303 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.205 8.242 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.685 7.965 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.265 5.695 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.632 5.717 -8.203 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.486 7.449 -7.505 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.106 7.070 -7.782 1.00 0.00 C ATOM 1517 C GLU A 92 -14.423 6.542 -6.523 1.00 0.00 C ATOM 1518 O GLU A 92 -13.804 5.478 -6.539 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.327 8.264 -8.335 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.931 7.909 -8.820 1.00 0.00 C ATOM 1521 CD GLU A 92 -12.107 9.131 -9.172 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -12.367 10.208 -8.596 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -11.201 9.011 -10.024 1.00 0.00 O ATOM 0 H GLU A 92 -16.694 8.434 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.118 6.276 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.888 8.703 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.250 9.027 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.416 7.339 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.008 7.263 -9.695 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.540 7.295 -5.434 1.00 0.00 N ATOM 1531 CA ALA A 93 -13.936 6.903 -4.167 1.00 0.00 C ATOM 1532 C ALA A 93 -14.321 5.476 -3.792 1.00 0.00 C ATOM 1533 O ALA A 93 -13.465 4.664 -3.445 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.347 7.869 -3.065 1.00 0.00 C ATOM 0 H ALA A 93 -15.047 8.179 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.853 6.940 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.889 7.564 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.015 8.875 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.432 7.860 -2.960 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.615 5.179 -3.864 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.113 3.849 -3.531 1.00 0.00 C ATOM 1542 C GLN A 94 -15.608 2.813 -4.531 1.00 0.00 C ATOM 1543 O GLN A 94 -15.338 1.668 -4.171 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.642 3.846 -3.504 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.227 4.207 -2.147 1.00 0.00 C ATOM 1546 CD GLN A 94 -17.737 3.294 -1.040 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -16.766 3.769 -0.267 1.00 0.00 O flip ATOM 1548 NE2 GLN A 94 -18.225 2.176 -0.880 1.00 0.00 N flip ATOM 0 H GLN A 94 -16.337 5.841 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.739 3.585 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.012 4.551 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.000 2.858 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.966 5.237 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -19.315 4.157 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -18.969 1.851 -1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -17.885 1.574 -0.130 1.00 0.00 H new ATOM 1557 N THR A 95 -15.486 3.223 -5.790 1.00 0.00 N ATOM 1558 CA THR A 95 -15.016 2.330 -6.842 1.00 0.00 C ATOM 1559 C THR A 95 -13.616 1.811 -6.537 1.00 0.00 C ATOM 1560 O THR A 95 -13.373 0.603 -6.554 1.00 0.00 O ATOM 1561 CB THR A 95 -15.004 3.034 -8.212 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.325 3.474 -8.548 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.483 2.102 -9.295 1.00 0.00 C ATOM 0 H THR A 95 -15.706 4.168 -6.106 1.00 0.00 H new ATOM 0 HA THR A 95 -15.711 1.491 -6.879 1.00 0.00 H new ATOM 0 HB THR A 95 -14.340 3.896 -8.147 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.617 4.154 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.484 2.621 -10.253 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.467 1.793 -9.051 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.124 1.223 -9.358 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.696 2.729 -6.259 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.319 2.364 -5.950 1.00 0.00 C ATOM 1573 C LEU A 96 -11.242 1.589 -4.638 1.00 0.00 C ATOM 1574 O LEU A 96 -10.547 0.577 -4.542 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.444 3.616 -5.867 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.212 4.360 -7.182 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.404 5.627 -6.944 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.511 3.460 -8.189 1.00 0.00 C ATOM 0 H LEU A 96 -12.880 3.732 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.951 1.724 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.899 4.307 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.475 3.331 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.182 4.643 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.249 6.143 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.945 6.280 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.438 5.367 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.354 4.007 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.548 3.145 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.128 2.582 -8.384 1.00 0.00 H new ATOM 1590 N SER A 97 -11.964 2.069 -3.630 1.00 0.00 N ATOM 1591 CA SER A 97 -11.977 1.423 -2.323 1.00 0.00 C ATOM 1592 C SER A 97 -12.488 -0.011 -2.430 1.00 0.00 C ATOM 1593 O SER A 97 -11.916 -0.933 -1.851 1.00 0.00 O ATOM 1594 CB SER A 97 -12.848 2.215 -1.346 1.00 0.00 C ATOM 1595 OG SER A 97 -14.224 2.048 -1.641 1.00 0.00 O ATOM 0 H SER A 97 -12.548 2.903 -3.694 1.00 0.00 H new ATOM 0 HA SER A 97 -10.954 1.399 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.649 1.885 -0.326 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.588 3.272 -1.396 1.00 0.00 H new ATOM 0 HG SER A 97 -14.354 2.063 -2.612 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.572 -0.191 -3.179 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.162 -1.510 -3.366 1.00 0.00 C ATOM 1603 C LYS A 98 -13.180 -2.454 -4.054 1.00 0.00 C ATOM 1604 O LYS A 98 -12.948 -3.569 -3.588 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.447 -1.405 -4.191 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.676 -1.067 -3.363 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.956 -1.456 -4.083 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.473 -0.322 -4.954 1.00 0.00 C ATOM 1609 NZ LYS A 98 -17.828 -0.314 -6.296 1.00 0.00 N ATOM 0 H LYS A 98 -14.059 0.561 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.400 -1.916 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.315 -0.642 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.616 -2.350 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.624 -1.585 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.689 0.001 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.774 -2.336 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.717 -1.730 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.553 -0.417 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.289 0.630 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.267 0.420 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.813 -0.113 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.953 -1.243 -6.747 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.608 -1.998 -5.162 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.649 -2.801 -5.912 1.00 0.00 C ATOM 1625 C ILE A 99 -10.481 -3.229 -5.029 1.00 0.00 C ATOM 1626 O ILE A 99 -10.115 -4.404 -4.991 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.102 -2.034 -7.130 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.245 -1.652 -8.074 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.062 -2.871 -7.860 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.969 -0.403 -8.882 1.00 0.00 C ATOM 0 H ILE A 99 -12.791 -1.077 -5.561 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.183 -3.686 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.623 -1.119 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.435 -2.481 -8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.154 -1.504 -7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.685 -2.315 -8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.238 -3.098 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.517 -3.801 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.821 -0.192 -9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.808 0.438 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.079 -0.554 -9.493 1.00 0.00 H new ATOM 1642 N LEU A 100 -9.900 -2.268 -4.319 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.775 -2.543 -3.434 1.00 0.00 C ATOM 1644 C LEU A 100 -9.145 -3.596 -2.393 1.00 0.00 C ATOM 1645 O LEU A 100 -8.384 -4.531 -2.143 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.321 -1.260 -2.738 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.103 -1.387 -1.821 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.514 -1.910 -0.455 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.056 -2.296 -2.450 1.00 0.00 C ATOM 0 H LEU A 100 -10.190 -1.290 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.955 -2.929 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.099 -0.515 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.154 -0.875 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.666 -0.397 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.634 -1.993 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.227 -1.222 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.976 -2.891 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.196 -2.375 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.483 -3.286 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.738 -1.878 -3.405 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.318 -3.438 -1.792 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.792 -4.376 -0.780 1.00 0.00 C ATOM 1663 C LEU A 101 -10.839 -5.797 -1.334 1.00 0.00 C ATOM 1664 O LEU A 101 -10.315 -6.729 -0.724 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.179 -3.964 -0.284 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.210 -3.070 0.957 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.637 -2.663 1.285 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.571 -3.780 2.142 1.00 0.00 C ATOM 0 H LEU A 101 -10.959 -2.669 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.093 -4.354 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.693 -3.446 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.750 -4.868 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.635 -2.168 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.640 -2.027 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.062 -2.115 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.235 -3.554 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.602 -3.129 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.118 -4.699 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.535 -4.021 1.906 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.466 -5.954 -2.494 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.580 -7.259 -3.133 1.00 0.00 C ATOM 1682 C LYS A 102 -10.203 -7.886 -3.336 1.00 0.00 C ATOM 1683 O LYS A 102 -9.967 -9.028 -2.942 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.297 -7.131 -4.479 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.369 -8.434 -5.256 1.00 0.00 C ATOM 1686 CD LYS A 102 -11.700 -8.309 -6.615 1.00 0.00 C ATOM 1687 CE LYS A 102 -12.532 -7.469 -7.571 1.00 0.00 C ATOM 1688 NZ LYS A 102 -13.567 -8.282 -8.267 1.00 0.00 N ATOM 0 H LYS A 102 -11.904 -5.192 -3.012 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.163 -7.907 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.309 -6.763 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.784 -6.384 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.888 -9.227 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.412 -8.723 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.715 -7.858 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.548 -9.301 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.014 -6.662 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.878 -7.004 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.113 -7.673 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.106 -9.037 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.207 -8.705 -7.564 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.300 -7.132 -3.953 1.00 0.00 N ATOM 1703 CA ASP A 103 -7.947 -7.613 -4.206 1.00 0.00 C ATOM 1704 C ASP A 103 -7.287 -8.083 -2.914 1.00 0.00 C ATOM 1705 O ASP A 103 -6.641 -9.132 -2.880 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.104 -6.512 -4.853 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.205 -7.042 -5.952 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -5.485 -8.032 -5.704 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.221 -6.467 -7.060 1.00 0.00 O ATOM 0 H ASP A 103 -9.480 -6.185 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.011 -8.460 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.763 -5.748 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.494 -6.030 -4.089 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.452 -7.301 -1.853 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.871 -7.637 -0.557 1.00 0.00 C ATOM 1716 C LEU A 104 -7.387 -8.984 -0.061 1.00 0.00 C ATOM 1717 O LEU A 104 -6.613 -9.832 0.383 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.194 -6.547 0.466 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.060 -6.163 1.418 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -4.855 -5.660 0.638 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.530 -5.112 2.412 1.00 0.00 C ATOM 0 H LEU A 104 -7.983 -6.430 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.790 -7.705 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.508 -5.653 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.046 -6.876 1.061 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.762 -7.052 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.059 -5.392 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.503 -6.444 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.139 -4.784 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.710 -4.851 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.856 -4.222 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.361 -5.508 2.995 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.700 -9.176 -0.143 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.320 -10.421 0.293 1.00 0.00 C ATOM 1735 C LYS A 105 -8.758 -11.609 -0.480 1.00 0.00 C ATOM 1736 O LYS A 105 -8.496 -12.666 0.093 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.838 -10.350 0.109 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.504 -9.279 0.954 1.00 0.00 C ATOM 1739 CD LYS A 105 -11.841 -9.795 2.344 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.083 -10.673 2.326 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.334 -9.865 2.333 1.00 0.00 N ATOM 0 H LYS A 105 -9.355 -8.484 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.094 -10.560 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.060 -10.162 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.271 -11.319 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.844 -8.416 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.414 -8.939 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.998 -10.363 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.999 -8.953 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.066 -11.308 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.073 -11.334 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.158 -10.500 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.363 -9.278 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.356 -9.252 1.493 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.574 -11.427 -1.785 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.042 -12.485 -2.636 1.00 0.00 C ATOM 1757 C GLU A 106 -6.613 -12.838 -2.234 1.00 0.00 C ATOM 1758 O GLU A 106 -6.239 -14.011 -2.191 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.080 -12.058 -4.104 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.686 -13.161 -5.071 1.00 0.00 C ATOM 1761 CD GLU A 106 -8.697 -14.291 -5.108 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -9.820 -14.066 -5.605 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -8.363 -15.401 -4.642 1.00 0.00 O ATOM 0 H GLU A 106 -8.785 -10.558 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.667 -13.369 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.086 -11.715 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.411 -11.209 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.579 -12.741 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.712 -13.559 -4.786 1.00 0.00 H new ATOM 1770 N THR A 107 -5.816 -11.815 -1.943 1.00 0.00 N ATOM 1771 CA THR A 107 -4.428 -12.016 -1.547 1.00 0.00 C ATOM 1772 C THR A 107 -4.335 -12.802 -0.244 1.00 0.00 C ATOM 1773 O THR A 107 -3.652 -13.823 -0.173 1.00 0.00 O ATOM 1774 CB THR A 107 -3.693 -10.673 -1.375 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.641 -9.603 -1.286 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.746 -10.422 -2.539 1.00 0.00 C ATOM 0 H THR A 107 -6.108 -10.838 -1.974 1.00 0.00 H new ATOM 0 HA THR A 107 -3.951 -12.584 -2.346 1.00 0.00 H new ATOM 0 HB THR A 107 -3.110 -10.718 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.066 -9.615 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.238 -9.468 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.008 -11.223 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.313 -10.395 -3.470 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.029 -12.321 0.783 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.024 -12.981 2.083 1.00 0.00 C ATOM 1786 C GLU A 108 -5.537 -14.413 1.968 1.00 0.00 C ATOM 1787 O GLU A 108 -5.041 -15.317 2.641 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.882 -12.199 3.080 1.00 0.00 C ATOM 1789 CG GLU A 108 -7.334 -12.060 2.656 1.00 0.00 C ATOM 1790 CD GLU A 108 -8.171 -11.312 3.675 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.673 -10.308 4.227 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -9.322 -11.729 3.920 1.00 0.00 O ATOM 0 H GLU A 108 -5.601 -11.478 0.740 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.996 -13.010 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.841 -12.696 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.454 -11.205 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.381 -11.539 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.759 -13.051 2.500 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.535 -14.612 1.113 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.116 -15.934 0.910 1.00 0.00 C ATOM 1801 C GLN A 109 -6.106 -16.880 0.268 1.00 0.00 C ATOM 1802 O GLN A 109 -6.022 -18.054 0.629 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.368 -15.835 0.037 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.335 -16.992 0.229 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.784 -16.546 0.233 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -11.224 -15.816 -0.656 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.535 -16.983 1.238 1.00 0.00 N ATOM 0 H GLN A 109 -6.958 -13.874 0.550 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.393 -16.336 1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.883 -14.901 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.069 -15.792 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.185 -17.722 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.111 -17.496 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.129 -17.586 1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.518 -16.715 1.294 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.343 -16.362 -0.688 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.337 -17.158 -1.381 1.00 0.00 C ATOM 1818 C LYS A 110 -3.234 -17.595 -0.423 1.00 0.00 C ATOM 1819 O LYS A 110 -2.879 -18.773 -0.365 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.735 -16.362 -2.541 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.567 -16.413 -3.811 1.00 0.00 C ATOM 1822 CD LYS A 110 -3.847 -15.756 -4.976 1.00 0.00 C ATOM 1823 CE LYS A 110 -4.699 -15.768 -6.236 1.00 0.00 C ATOM 1824 NZ LYS A 110 -4.485 -17.004 -7.038 1.00 0.00 N ATOM 0 H LYS A 110 -5.402 -15.393 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.825 -18.049 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.618 -15.322 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.737 -16.746 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.791 -17.451 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.521 -15.913 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.595 -14.728 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.908 -16.277 -5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.751 -15.690 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.461 -14.895 -6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.083 -16.974 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.486 -17.066 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.736 -17.836 -6.467 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.695 -16.639 0.326 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.633 -16.926 1.284 1.00 0.00 C ATOM 1840 C VAL A 111 -2.122 -17.862 2.383 1.00 0.00 C ATOM 1841 O VAL A 111 -1.371 -18.701 2.880 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.094 -15.634 1.927 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -2.220 -14.860 2.595 1.00 0.00 C ATOM 1844 CG2 VAL A 111 0.008 -15.957 2.925 1.00 0.00 C ATOM 0 H VAL A 111 -2.976 -15.659 0.288 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.829 -17.411 0.730 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.671 -15.007 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.820 -13.951 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.972 -14.597 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.676 -15.477 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.378 -15.033 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.388 -16.604 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.825 -16.466 2.413 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.388 -17.713 2.759 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.981 -18.547 3.799 1.00 0.00 C ATOM 1856 C LYS A 112 -4.238 -19.959 3.284 1.00 0.00 C ATOM 1857 O LYS A 112 -4.163 -20.929 4.039 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.289 -17.927 4.294 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.089 -16.709 5.179 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.351 -15.868 5.265 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.499 -16.647 5.888 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.937 -16.051 7.181 1.00 0.00 N ATOM 0 H LYS A 112 -4.023 -17.022 2.359 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.277 -18.605 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.896 -17.645 3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.851 -18.679 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.795 -17.029 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.273 -16.103 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.154 -14.974 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.636 -15.534 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.340 -16.670 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.191 -17.680 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.721 -16.611 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.141 -16.052 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.255 -15.074 7.023 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.540 -20.068 1.995 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.805 -21.363 1.378 1.00 0.00 C ATOM 1878 C ASP A 113 -3.519 -22.170 1.232 1.00 0.00 C ATOM 1879 O ASP A 113 -3.499 -23.375 1.483 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.461 -21.174 0.009 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.891 -22.489 -0.612 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.512 -23.307 0.098 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -5.606 -22.699 -1.810 1.00 0.00 O ATOM 0 H ASP A 113 -4.607 -19.275 1.357 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.486 -21.914 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.329 -20.523 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.762 -20.671 -0.659 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.448 -21.497 0.825 1.00 0.00 N ATOM 1889 CA ILE A 114 -1.157 -22.151 0.646 1.00 0.00 C ATOM 1890 C ILE A 114 -0.712 -22.846 1.928 1.00 0.00 C ATOM 1891 O ILE A 114 -0.864 -22.306 3.024 1.00 0.00 O ATOM 1892 CB ILE A 114 -0.072 -21.148 0.215 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.017 -21.084 -1.311 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.273 -21.532 0.814 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -1.212 -20.491 -1.964 1.00 0.00 C ATOM 0 H ILE A 114 -2.448 -20.499 0.613 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.285 -22.893 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.344 -20.160 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.889 -20.493 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.176 -22.090 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.030 -20.813 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.201 -21.531 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.554 -22.528 0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.078 -20.477 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.084 -21.095 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.360 -19.473 -1.604 1.00 0.00 H new ATOM 1907 N GLN A 115 -0.157 -24.045 1.783 1.00 0.00 N ATOM 1908 CA GLN A 115 0.314 -24.813 2.930 1.00 0.00 C ATOM 1909 C GLN A 115 1.824 -24.685 3.088 1.00 0.00 C ATOM 1910 O GLN A 115 2.558 -24.601 2.103 1.00 0.00 O ATOM 1911 CB GLN A 115 -0.073 -26.285 2.778 1.00 0.00 C ATOM 1912 CG GLN A 115 0.414 -26.911 1.481 1.00 0.00 C ATOM 1913 CD GLN A 115 1.128 -28.229 1.701 1.00 0.00 C ATOM 1914 OE1 GLN A 115 1.828 -28.412 2.698 1.00 0.00 O ATOM 1915 NE2 GLN A 115 0.956 -29.159 0.768 1.00 0.00 N ATOM 0 H GLN A 115 -0.022 -24.506 0.883 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.161 -24.411 3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.334 -26.848 3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.158 -26.374 2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.436 -27.069 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.087 -26.217 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.367 -28.966 -0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.412 -30.066 0.862 1.00 0.00 H new ATOM 1924 N THR A 116 2.285 -24.670 4.335 1.00 0.00 N ATOM 1925 CA THR A 116 3.710 -24.550 4.623 1.00 0.00 C ATOM 1926 C THR A 116 4.081 -25.317 5.887 1.00 0.00 C ATOM 1927 O THR A 116 3.252 -26.024 6.460 1.00 0.00 O ATOM 1928 CB THR A 116 4.127 -23.077 4.789 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.593 -22.551 6.009 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.642 -22.241 3.614 1.00 0.00 C ATOM 0 H THR A 116 1.692 -24.739 5.162 1.00 0.00 H new ATOM 0 HA THR A 116 4.242 -24.977 3.773 1.00 0.00 H new ATOM 0 HB THR A 116 5.216 -23.032 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.069 -21.746 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.949 -21.204 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.075 -22.626 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.555 -22.293 3.555 1.00 0.00 H new ATOM 1938 N GLN A 117 5.331 -25.172 6.315 1.00 0.00 N ATOM 1939 CA GLN A 117 5.811 -25.853 7.511 1.00 0.00 C ATOM 1940 C GLN A 117 6.307 -24.849 8.547 1.00 0.00 C ATOM 1941 O GLN A 117 7.088 -25.192 9.436 1.00 0.00 O ATOM 1942 CB GLN A 117 6.932 -26.830 7.154 1.00 0.00 C ATOM 1943 CG GLN A 117 6.484 -27.964 6.245 1.00 0.00 C ATOM 1944 CD GLN A 117 5.945 -29.152 7.017 1.00 0.00 C ATOM 1945 OE1 GLN A 117 5.451 -29.008 8.137 1.00 0.00 O ATOM 1946 NE2 GLN A 117 6.037 -30.336 6.423 1.00 0.00 N ATOM 0 H GLN A 117 6.029 -24.590 5.852 1.00 0.00 H new ATOM 0 HA GLN A 117 4.977 -26.409 7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.739 -26.282 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.342 -27.251 8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.714 -27.598 5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.325 -28.286 5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.453 -30.410 5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.691 -31.172 6.895 1.00 0.00 H new TER 1955 GLN A 117