USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 899 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 18 THR OG1 : rot 180:sc= 0.223 USER MOD Set 1.2: A 21 SER OG : rot 91:sc= 0.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.251 (180deg=-0.428) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0.855 (180deg=0.842) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 155:sc= 1.1 USER MOD Single : A 17 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.4) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.0184 (180deg=-0.175) USER MOD Single : A 27 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -165:sc= -0.447 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0151 (180deg=-0.194) USER MOD Single : A 50 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.1!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 110:sc= 0 USER MOD Single : A 64 THR OG1 : rot -76:sc= -0.462! USER MOD Single : A 67 LYS NZ :NH3+ -107:sc= -0.814 (180deg=-3.84!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.649 K(o=-0.65,f=-9.2!) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= -0.0839 (180deg=-0.511) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0398 (180deg=-0.298) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.730 -13.622 -13.999 1.00 0.00 N ATOM 2 CA MET A 1 -19.838 -13.383 -15.464 1.00 0.00 C ATOM 3 C MET A 1 -18.603 -12.660 -15.988 1.00 0.00 C ATOM 4 O MET A 1 -18.480 -12.402 -17.185 1.00 0.00 O ATOM 5 CB MET A 1 -21.092 -12.559 -15.773 1.00 0.00 C ATOM 6 CG MET A 1 -22.388 -13.243 -15.367 1.00 0.00 C ATOM 7 SD MET A 1 -23.840 -12.225 -15.693 1.00 0.00 S ATOM 8 CE MET A 1 -25.136 -13.248 -14.999 1.00 0.00 C ATOM 0 H1 MET A 1 -20.513 -14.231 -13.688 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.824 -14.088 -13.789 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.777 -12.714 -13.495 1.00 0.00 H new ATOM 0 HA MET A 1 -19.911 -14.350 -15.962 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.021 -11.600 -15.260 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.123 -12.347 -16.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.481 -14.186 -15.906 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.350 -13.485 -14.305 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.098 -12.751 -15.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.155 -14.210 -15.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.945 -13.407 -13.938 1.00 0.00 H new ATOM 20 N ALA A 2 -17.690 -12.339 -15.081 1.00 0.00 N ATOM 21 CA ALA A 2 -16.460 -11.648 -15.445 1.00 0.00 C ATOM 22 C ALA A 2 -15.243 -12.364 -14.868 1.00 0.00 C ATOM 23 O ALA A 2 -15.319 -12.953 -13.788 1.00 0.00 O ATOM 24 CB ALA A 2 -16.507 -10.205 -14.959 1.00 0.00 C ATOM 0 H ALA A 2 -17.778 -12.546 -14.086 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.371 -11.652 -16.531 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.583 -9.697 -15.236 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.353 -9.694 -15.418 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.618 -10.190 -13.875 1.00 0.00 H new ATOM 30 N PRO A 3 -14.103 -12.335 -15.587 1.00 0.00 N ATOM 31 CA PRO A 3 -12.865 -12.982 -15.138 1.00 0.00 C ATOM 32 C PRO A 3 -12.206 -12.259 -13.968 1.00 0.00 C ATOM 33 O PRO A 3 -12.319 -11.039 -13.829 1.00 0.00 O ATOM 34 CB PRO A 3 -11.972 -12.933 -16.374 1.00 0.00 C ATOM 35 CG PRO A 3 -12.446 -11.740 -17.117 1.00 0.00 C ATOM 36 CD PRO A 3 -13.934 -11.684 -16.900 1.00 0.00 C ATOM 0 HA PRO A 3 -13.050 -13.990 -14.767 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.920 -12.841 -16.102 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.069 -13.839 -16.972 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.963 -10.834 -16.750 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.209 -11.821 -18.178 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.302 -10.658 -16.892 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.476 -12.211 -17.685 1.00 0.00 H new ATOM 44 N LEU A 4 -11.510 -13.020 -13.131 1.00 0.00 N ATOM 45 CA LEU A 4 -10.834 -12.454 -11.972 1.00 0.00 C ATOM 46 C LEU A 4 -9.328 -12.678 -12.072 1.00 0.00 C ATOM 47 O LEU A 4 -8.877 -13.762 -12.444 1.00 0.00 O ATOM 48 CB LEU A 4 -11.374 -13.087 -10.685 1.00 0.00 C ATOM 49 CG LEU A 4 -12.889 -12.970 -10.490 1.00 0.00 C ATOM 50 CD1 LEU A 4 -13.317 -13.644 -9.198 1.00 0.00 C ATOM 51 CD2 LEU A 4 -13.322 -11.512 -10.505 1.00 0.00 C ATOM 0 H LEU A 4 -11.400 -14.029 -13.234 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.027 -11.381 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.102 -14.143 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.877 -12.623 -9.834 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.380 -13.479 -11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.396 -13.549 -9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.047 -14.699 -9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.816 -13.167 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.401 -11.452 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.821 -10.975 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.055 -11.063 -11.461 1.00 0.00 H new ATOM 63 N ARG A 5 -8.556 -11.651 -11.737 1.00 0.00 N ATOM 64 CA ARG A 5 -7.102 -11.735 -11.790 1.00 0.00 C ATOM 65 C ARG A 5 -6.483 -11.242 -10.488 1.00 0.00 C ATOM 66 O ARG A 5 -7.051 -10.382 -9.815 1.00 0.00 O ATOM 67 CB ARG A 5 -6.558 -10.922 -12.958 1.00 0.00 C ATOM 68 CG ARG A 5 -7.025 -11.430 -14.308 1.00 0.00 C ATOM 69 CD ARG A 5 -6.260 -10.763 -15.422 1.00 0.00 C ATOM 70 NE ARG A 5 -6.740 -11.167 -16.742 1.00 0.00 N ATOM 71 CZ ARG A 5 -6.180 -10.773 -17.883 1.00 0.00 C ATOM 72 NH1 ARG A 5 -5.126 -9.968 -17.864 1.00 0.00 N ATOM 73 NH2 ARG A 5 -6.677 -11.185 -19.042 1.00 0.00 N ATOM 0 H ARG A 5 -8.914 -10.748 -11.425 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.834 -12.782 -11.932 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.864 -9.882 -12.842 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.469 -10.939 -12.928 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.889 -12.510 -14.363 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.091 -11.237 -14.426 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.346 -9.681 -15.322 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.202 -11.009 -15.331 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.550 -11.786 -16.791 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.743 -9.650 -16.974 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.698 -9.667 -18.740 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.488 -11.803 -19.058 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.248 -10.883 -19.917 1.00 0.00 H new ATOM 87 N LYS A 6 -5.327 -11.803 -10.129 1.00 0.00 N ATOM 88 CA LYS A 6 -4.628 -11.407 -8.907 1.00 0.00 C ATOM 89 C LYS A 6 -4.189 -9.953 -8.986 1.00 0.00 C ATOM 90 O LYS A 6 -4.264 -9.210 -8.007 1.00 0.00 O ATOM 91 CB LYS A 6 -3.414 -12.307 -8.663 1.00 0.00 C ATOM 92 CG LYS A 6 -3.772 -13.743 -8.307 1.00 0.00 C ATOM 93 CD LYS A 6 -4.404 -13.841 -6.928 1.00 0.00 C ATOM 94 CE LYS A 6 -4.621 -15.288 -6.517 1.00 0.00 C ATOM 95 NZ LYS A 6 -5.602 -15.975 -7.400 1.00 0.00 N ATOM 0 H LYS A 6 -4.857 -12.531 -10.666 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.320 -11.519 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.790 -12.309 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.815 -11.882 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.461 -14.141 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.874 -14.361 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.764 -13.346 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.358 -13.314 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.670 -15.820 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.973 -15.324 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.773 -16.938 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.496 -15.444 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.223 -16.024 -8.367 1.00 0.00 H new ATOM 109 N THR A 7 -3.723 -9.561 -10.159 1.00 0.00 N ATOM 110 CA THR A 7 -3.285 -8.197 -10.385 1.00 0.00 C ATOM 111 C THR A 7 -4.432 -7.341 -10.896 1.00 0.00 C ATOM 112 O THR A 7 -5.046 -7.648 -11.920 1.00 0.00 O ATOM 113 CB THR A 7 -2.120 -8.127 -11.389 1.00 0.00 C ATOM 114 OG1 THR A 7 -2.200 -9.227 -12.306 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.775 -8.142 -10.678 1.00 0.00 C ATOM 0 H THR A 7 -3.639 -10.171 -10.972 1.00 0.00 H new ATOM 0 HA THR A 7 -2.939 -7.814 -9.425 1.00 0.00 H new ATOM 0 HB THR A 7 -2.202 -7.188 -11.937 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.457 -9.176 -12.943 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.027 -8.092 -11.415 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.708 -7.284 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.679 -9.061 -10.100 1.00 0.00 H new ATOM 123 N ALA A 8 -4.712 -6.267 -10.180 1.00 0.00 N ATOM 124 CA ALA A 8 -5.781 -5.358 -10.552 1.00 0.00 C ATOM 125 C ALA A 8 -5.247 -4.182 -11.354 1.00 0.00 C ATOM 126 O ALA A 8 -4.091 -3.784 -11.201 1.00 0.00 O ATOM 127 CB ALA A 8 -6.509 -4.870 -9.316 1.00 0.00 C ATOM 0 H ALA A 8 -4.210 -6.002 -9.332 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.484 -5.902 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.308 -4.189 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.934 -5.721 -8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.809 -4.348 -8.664 1.00 0.00 H new ATOM 133 N VAL A 9 -6.097 -3.625 -12.203 1.00 0.00 N ATOM 134 CA VAL A 9 -5.715 -2.498 -13.031 1.00 0.00 C ATOM 135 C VAL A 9 -6.460 -1.243 -12.594 1.00 0.00 C ATOM 136 O VAL A 9 -7.693 -1.215 -12.553 1.00 0.00 O ATOM 137 CB VAL A 9 -6.000 -2.766 -14.526 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.605 -1.565 -15.385 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.266 -4.017 -14.991 1.00 0.00 C ATOM 0 H VAL A 9 -7.059 -3.938 -12.335 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.642 -2.352 -12.906 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.072 -2.926 -14.642 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.816 -1.781 -16.432 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.176 -0.691 -15.073 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.540 -1.365 -15.264 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.477 -4.192 -16.046 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.193 -3.882 -14.853 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.602 -4.874 -14.407 1.00 0.00 H new ATOM 149 N LEU A 10 -5.702 -0.212 -12.279 1.00 0.00 N ATOM 150 CA LEU A 10 -6.265 1.057 -11.852 1.00 0.00 C ATOM 151 C LEU A 10 -5.965 2.095 -12.917 1.00 0.00 C ATOM 152 O LEU A 10 -4.817 2.225 -13.344 1.00 0.00 O ATOM 153 CB LEU A 10 -5.655 1.483 -10.511 1.00 0.00 C ATOM 154 CG LEU A 10 -6.627 1.661 -9.331 1.00 0.00 C ATOM 155 CD1 LEU A 10 -7.735 2.650 -9.664 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.214 0.326 -8.908 1.00 0.00 C ATOM 0 H LEU A 10 -4.683 -0.228 -12.311 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.342 0.960 -11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.908 0.742 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.128 2.425 -10.662 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.057 2.068 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.402 2.751 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.298 3.620 -9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.299 2.288 -10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.898 0.477 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.756 -0.115 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.411 -0.344 -8.602 1.00 0.00 H new ATOM 168 N LYS A 11 -6.971 2.842 -13.350 1.00 0.00 N ATOM 169 CA LYS A 11 -6.744 3.847 -14.375 1.00 0.00 C ATOM 170 C LYS A 11 -7.002 5.237 -13.822 1.00 0.00 C ATOM 171 O LYS A 11 -8.026 5.490 -13.181 1.00 0.00 O ATOM 172 CB LYS A 11 -7.618 3.617 -15.613 1.00 0.00 C ATOM 173 CG LYS A 11 -7.254 2.375 -16.406 1.00 0.00 C ATOM 174 CD LYS A 11 -8.124 2.235 -17.644 1.00 0.00 C ATOM 175 CE LYS A 11 -7.741 1.012 -18.458 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.595 0.860 -19.669 1.00 0.00 N ATOM 0 H LYS A 11 -7.932 2.773 -13.015 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.701 3.761 -14.680 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.660 3.543 -15.301 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.542 4.487 -16.265 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.205 2.423 -16.700 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.369 1.493 -15.777 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.171 2.163 -17.348 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.028 3.129 -18.261 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.696 1.089 -18.758 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.830 0.121 -17.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.301 0.014 -20.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.590 0.761 -19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.491 1.699 -20.275 1.00 0.00 H new ATOM 190 N LEU A 12 -6.061 6.130 -14.064 1.00 0.00 N ATOM 191 CA LEU A 12 -6.182 7.500 -13.615 1.00 0.00 C ATOM 192 C LEU A 12 -6.409 8.403 -14.812 1.00 0.00 C ATOM 193 O LEU A 12 -5.620 8.393 -15.756 1.00 0.00 O ATOM 194 CB LEU A 12 -4.918 7.940 -12.871 1.00 0.00 C ATOM 195 CG LEU A 12 -5.140 8.463 -11.450 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.806 8.727 -10.772 1.00 0.00 C ATOM 197 CD2 LEU A 12 -5.986 9.727 -11.465 1.00 0.00 C ATOM 0 H LEU A 12 -5.200 5.927 -14.572 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.028 7.571 -12.931 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.231 7.095 -12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.427 8.719 -13.454 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.676 7.701 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.978 9.099 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.232 7.801 -10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.249 9.471 -11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.130 10.080 -10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.480 10.497 -12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.955 9.511 -11.915 1.00 0.00 H new ATOM 209 N TYR A 13 -7.475 9.178 -14.789 1.00 0.00 N ATOM 210 CA TYR A 13 -7.769 10.081 -15.881 1.00 0.00 C ATOM 211 C TYR A 13 -7.328 11.477 -15.475 1.00 0.00 C ATOM 212 O TYR A 13 -7.814 12.019 -14.484 1.00 0.00 O ATOM 213 CB TYR A 13 -9.269 10.059 -16.177 1.00 0.00 C ATOM 214 CG TYR A 13 -9.776 8.699 -16.615 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.193 7.758 -15.680 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.838 8.356 -17.959 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.656 6.516 -16.071 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.302 7.114 -18.358 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.707 6.199 -17.411 1.00 0.00 C ATOM 220 OH TYR A 13 -11.166 4.962 -17.801 1.00 0.00 O ATOM 0 H TYR A 13 -8.151 9.200 -14.026 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.238 9.776 -16.783 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.812 10.371 -15.285 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.489 10.789 -16.956 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.154 8.002 -14.629 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.519 9.069 -18.705 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.976 5.798 -15.331 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.346 6.863 -19.408 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.509 5.014 -18.717 1.00 0.00 H new ATOM 230 N VAL A 14 -6.410 12.059 -16.226 1.00 0.00 N ATOM 231 CA VAL A 14 -5.893 13.378 -15.899 1.00 0.00 C ATOM 232 C VAL A 14 -5.997 14.328 -17.076 1.00 0.00 C ATOM 233 O VAL A 14 -6.119 13.901 -18.228 1.00 0.00 O ATOM 234 CB VAL A 14 -4.420 13.307 -15.429 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.314 12.563 -14.102 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.545 12.644 -16.487 1.00 0.00 C ATOM 0 H VAL A 14 -6.007 11.641 -17.065 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.509 13.759 -15.084 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.062 14.326 -15.281 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.271 12.524 -13.789 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.901 13.084 -13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.695 11.549 -14.222 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.514 12.605 -16.135 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.903 11.631 -16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.591 13.221 -17.411 1.00 0.00 H new ATOM 246 N ALA A 15 -5.936 15.617 -16.784 1.00 0.00 N ATOM 247 CA ALA A 15 -6.017 16.629 -17.817 1.00 0.00 C ATOM 248 C ALA A 15 -4.708 17.398 -17.883 1.00 0.00 C ATOM 249 O ALA A 15 -4.422 18.233 -17.021 1.00 0.00 O ATOM 250 CB ALA A 15 -7.187 17.570 -17.571 1.00 0.00 C ATOM 0 H ALA A 15 -5.831 15.985 -15.838 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.188 16.138 -18.775 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.224 18.319 -18.362 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.117 17.001 -17.567 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.060 18.065 -16.608 1.00 0.00 H new ATOM 256 N GLY A 16 -3.920 17.117 -18.919 1.00 0.00 N ATOM 257 CA GLY A 16 -2.639 17.778 -19.084 1.00 0.00 C ATOM 258 C GLY A 16 -1.696 17.489 -17.933 1.00 0.00 C ATOM 259 O GLY A 16 -1.506 16.333 -17.556 1.00 0.00 O ATOM 0 H GLY A 16 -4.148 16.441 -19.648 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.181 17.452 -20.018 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.794 18.854 -19.164 1.00 0.00 H new ATOM 263 N ASN A 17 -1.108 18.537 -17.374 1.00 0.00 N ATOM 264 CA ASN A 17 -0.183 18.380 -16.259 1.00 0.00 C ATOM 265 C ASN A 17 -0.458 19.433 -15.195 1.00 0.00 C ATOM 266 O ASN A 17 0.440 20.163 -14.775 1.00 0.00 O ATOM 267 CB ASN A 17 1.264 18.485 -16.752 1.00 0.00 C ATOM 268 CG ASN A 17 2.234 17.706 -15.887 1.00 0.00 C ATOM 269 OD1 ASN A 17 1.937 16.594 -15.451 1.00 0.00 O ATOM 270 ND2 ASN A 17 3.400 18.283 -15.634 1.00 0.00 N ATOM 0 H ASN A 17 -1.254 19.502 -17.672 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.329 17.394 -15.818 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.322 18.118 -17.777 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.562 19.533 -16.771 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.092 17.804 -15.058 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.606 19.206 -16.016 1.00 0.00 H new ATOM 277 N THR A 18 -1.717 19.516 -14.778 1.00 0.00 N ATOM 278 CA THR A 18 -2.119 20.469 -13.752 1.00 0.00 C ATOM 279 C THR A 18 -1.661 19.985 -12.387 1.00 0.00 C ATOM 280 O THR A 18 -1.417 18.792 -12.204 1.00 0.00 O ATOM 281 CB THR A 18 -3.649 20.671 -13.739 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.312 19.436 -13.436 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.138 21.202 -15.076 1.00 0.00 C ATOM 0 H THR A 18 -2.475 18.935 -15.135 1.00 0.00 H new ATOM 0 HA THR A 18 -1.649 21.425 -13.982 1.00 0.00 H new ATOM 0 HB THR A 18 -3.885 21.404 -12.967 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.282 19.578 -13.429 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.219 21.336 -15.041 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.660 22.160 -15.284 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.886 20.492 -15.864 1.00 0.00 H new ATOM 291 N PRO A 19 -1.530 20.895 -11.404 1.00 0.00 N ATOM 292 CA PRO A 19 -1.098 20.527 -10.049 1.00 0.00 C ATOM 293 C PRO A 19 -1.957 19.425 -9.436 1.00 0.00 C ATOM 294 O PRO A 19 -1.443 18.565 -8.731 1.00 0.00 O ATOM 295 CB PRO A 19 -1.229 21.841 -9.272 1.00 0.00 C ATOM 296 CG PRO A 19 -1.055 22.892 -10.313 1.00 0.00 C ATOM 297 CD PRO A 19 -1.738 22.353 -11.537 1.00 0.00 C ATOM 0 HA PRO A 19 -0.089 20.114 -10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.200 21.921 -8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.471 21.921 -8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.500 23.836 -9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.001 23.085 -10.504 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.797 22.612 -11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.296 22.744 -12.454 1.00 0.00 H new ATOM 305 N ASN A 20 -3.263 19.454 -9.705 1.00 0.00 N ATOM 306 CA ASN A 20 -4.162 18.426 -9.176 1.00 0.00 C ATOM 307 C ASN A 20 -3.807 17.064 -9.772 1.00 0.00 C ATOM 308 O ASN A 20 -3.735 16.063 -9.063 1.00 0.00 O ATOM 309 CB ASN A 20 -5.634 18.748 -9.488 1.00 0.00 C ATOM 310 CG ASN A 20 -6.110 20.012 -8.798 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.433 21.002 -9.451 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.162 19.984 -7.472 1.00 0.00 N ATOM 0 H ASN A 20 -3.717 20.166 -10.277 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.037 18.403 -8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.758 18.857 -10.565 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.259 17.911 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.479 20.805 -6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.885 19.141 -6.968 1.00 0.00 H new ATOM 319 N SER A 21 -3.588 17.047 -11.093 1.00 0.00 N ATOM 320 CA SER A 21 -3.211 15.833 -11.809 1.00 0.00 C ATOM 321 C SER A 21 -1.826 15.363 -11.392 1.00 0.00 C ATOM 322 O SER A 21 -1.611 14.172 -11.181 1.00 0.00 O ATOM 323 CB SER A 21 -3.241 16.081 -13.319 1.00 0.00 C ATOM 324 OG SER A 21 -4.553 16.386 -13.763 1.00 0.00 O ATOM 0 H SER A 21 -3.668 17.872 -11.688 1.00 0.00 H new ATOM 0 HA SER A 21 -3.930 15.054 -11.557 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.570 16.903 -13.569 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.873 15.199 -13.842 1.00 0.00 H new ATOM 0 HG SER A 21 -4.691 17.356 -13.734 1.00 0.00 H new ATOM 330 N VAL A 22 -0.890 16.298 -11.271 1.00 0.00 N ATOM 331 CA VAL A 22 0.469 15.962 -10.864 1.00 0.00 C ATOM 332 C VAL A 22 0.483 15.416 -9.438 1.00 0.00 C ATOM 333 O VAL A 22 1.131 14.406 -9.152 1.00 0.00 O ATOM 334 CB VAL A 22 1.413 17.182 -10.967 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.752 16.894 -10.310 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.602 17.593 -12.418 1.00 0.00 C ATOM 0 H VAL A 22 -1.046 17.290 -11.448 1.00 0.00 H new ATOM 0 HA VAL A 22 0.832 15.193 -11.547 1.00 0.00 H new ATOM 0 HB VAL A 22 0.950 18.012 -10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.396 17.769 -10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.598 16.661 -9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.225 16.045 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.270 18.453 -12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.035 16.764 -12.977 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.637 17.857 -12.850 1.00 0.00 H new ATOM 346 N ARG A 23 -0.252 16.083 -8.558 1.00 0.00 N ATOM 347 CA ARG A 23 -0.340 15.684 -7.161 1.00 0.00 C ATOM 348 C ARG A 23 -0.947 14.296 -7.044 1.00 0.00 C ATOM 349 O ARG A 23 -0.430 13.432 -6.333 1.00 0.00 O ATOM 350 CB ARG A 23 -1.230 16.668 -6.415 1.00 0.00 C ATOM 351 CG ARG A 23 -0.881 16.852 -4.951 1.00 0.00 C ATOM 352 CD ARG A 23 -0.072 18.118 -4.741 1.00 0.00 C ATOM 353 NE ARG A 23 0.222 18.355 -3.330 1.00 0.00 N ATOM 354 CZ ARG A 23 0.948 19.377 -2.888 1.00 0.00 C ATOM 355 NH1 ARG A 23 1.452 20.255 -3.747 1.00 0.00 N ATOM 356 NH2 ARG A 23 1.169 19.521 -1.588 1.00 0.00 N ATOM 0 H ARG A 23 -0.801 16.911 -8.791 1.00 0.00 H new ATOM 0 HA ARG A 23 0.663 15.676 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.175 17.636 -6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.264 16.330 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.795 16.897 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.314 15.991 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.862 18.047 -5.298 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.620 18.969 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.151 17.698 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.282 20.146 -4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.009 21.039 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.782 18.847 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.726 20.305 -1.249 1.00 0.00 H new ATOM 370 N ALA A 24 -2.055 14.098 -7.756 1.00 0.00 N ATOM 371 CA ALA A 24 -2.753 12.820 -7.743 1.00 0.00 C ATOM 372 C ALA A 24 -1.878 11.707 -8.314 1.00 0.00 C ATOM 373 O ALA A 24 -1.830 10.600 -7.776 1.00 0.00 O ATOM 374 CB ALA A 24 -4.051 12.919 -8.526 1.00 0.00 C ATOM 0 H ALA A 24 -2.486 14.808 -8.348 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.982 12.573 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.562 11.956 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.691 13.678 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.833 13.194 -9.558 1.00 0.00 H new ATOM 380 N LEU A 25 -1.189 12.019 -9.413 1.00 0.00 N ATOM 381 CA LEU A 25 -0.309 11.066 -10.083 1.00 0.00 C ATOM 382 C LEU A 25 0.830 10.618 -9.170 1.00 0.00 C ATOM 383 O LEU A 25 1.095 9.421 -9.052 1.00 0.00 O ATOM 384 CB LEU A 25 0.251 11.683 -11.370 1.00 0.00 C ATOM 385 CG LEU A 25 1.229 10.808 -12.156 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.563 9.515 -12.599 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.772 11.567 -13.358 1.00 0.00 C ATOM 0 H LEU A 25 -1.226 12.935 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.898 10.184 -10.335 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.584 11.938 -12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.752 12.617 -11.115 1.00 0.00 H new ATOM 0 HG LEU A 25 2.062 10.553 -11.500 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.278 8.910 -13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.224 8.962 -11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.291 9.745 -13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.466 10.931 -13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.947 11.852 -14.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.292 12.463 -13.018 1.00 0.00 H new ATOM 399 N LYS A 26 1.495 11.570 -8.519 1.00 0.00 N ATOM 400 CA LYS A 26 2.594 11.241 -7.614 1.00 0.00 C ATOM 401 C LYS A 26 2.097 10.419 -6.429 1.00 0.00 C ATOM 402 O LYS A 26 2.755 9.467 -6.003 1.00 0.00 O ATOM 403 CB LYS A 26 3.288 12.509 -7.110 1.00 0.00 C ATOM 404 CG LYS A 26 4.095 13.232 -8.178 1.00 0.00 C ATOM 405 CD LYS A 26 4.774 14.471 -7.617 1.00 0.00 C ATOM 406 CE LYS A 26 5.588 15.193 -8.680 1.00 0.00 C ATOM 407 NZ LYS A 26 6.699 14.349 -9.199 1.00 0.00 N ATOM 0 H LYS A 26 1.295 12.567 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 26 3.315 10.647 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.536 13.190 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.949 12.247 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.847 12.557 -8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.440 13.516 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.021 15.148 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.425 14.187 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.935 15.480 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.996 16.113 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.346 14.936 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.218 13.930 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.310 13.591 -9.796 1.00 0.00 H new ATOM 421 N THR A 27 0.932 10.791 -5.907 1.00 0.00 N ATOM 422 CA THR A 27 0.330 10.100 -4.773 1.00 0.00 C ATOM 423 C THR A 27 -0.061 8.664 -5.134 1.00 0.00 C ATOM 424 O THR A 27 0.229 7.731 -4.389 1.00 0.00 O ATOM 425 CB THR A 27 -0.912 10.874 -4.285 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.533 12.202 -3.907 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.562 10.192 -3.097 1.00 0.00 C ATOM 0 H THR A 27 0.382 11.576 -6.256 1.00 0.00 H new ATOM 0 HA THR A 27 1.071 10.057 -3.975 1.00 0.00 H new ATOM 0 HB THR A 27 -1.630 10.901 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.318 12.722 -4.710 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.433 10.765 -2.780 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.872 9.186 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.848 10.134 -2.275 1.00 0.00 H new ATOM 435 N LEU A 28 -0.693 8.491 -6.291 1.00 0.00 N ATOM 436 CA LEU A 28 -1.131 7.165 -6.731 1.00 0.00 C ATOM 437 C LEU A 28 0.041 6.269 -7.119 1.00 0.00 C ATOM 438 O LEU A 28 0.137 5.132 -6.658 1.00 0.00 O ATOM 439 CB LEU A 28 -2.082 7.287 -7.930 1.00 0.00 C ATOM 440 CG LEU A 28 -3.549 6.920 -7.667 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.654 5.577 -6.961 1.00 0.00 C ATOM 442 CD2 LEU A 28 -4.241 8.010 -6.863 1.00 0.00 C ATOM 0 H LEU A 28 -0.914 9.246 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.646 6.708 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.045 8.314 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.707 6.650 -8.732 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.055 6.835 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.703 5.339 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.205 4.803 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.129 5.625 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.280 7.729 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.733 8.135 -5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.207 8.948 -7.417 1.00 0.00 H new ATOM 454 N ALA A 29 0.937 6.787 -7.963 1.00 0.00 N ATOM 455 CA ALA A 29 2.076 6.010 -8.446 1.00 0.00 C ATOM 456 C ALA A 29 3.017 5.562 -7.334 1.00 0.00 C ATOM 457 O ALA A 29 3.402 4.402 -7.293 1.00 0.00 O ATOM 458 CB ALA A 29 2.850 6.808 -9.485 1.00 0.00 C ATOM 0 H ALA A 29 0.894 7.740 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 29 1.665 5.105 -8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.697 6.220 -9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.196 7.043 -10.325 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.212 7.733 -9.037 1.00 0.00 H new ATOM 464 N ASN A 30 3.364 6.459 -6.418 1.00 0.00 N ATOM 465 CA ASN A 30 4.283 6.104 -5.335 1.00 0.00 C ATOM 466 C ASN A 30 3.674 5.049 -4.418 1.00 0.00 C ATOM 467 O ASN A 30 4.349 4.096 -4.028 1.00 0.00 O ATOM 468 CB ASN A 30 4.699 7.344 -4.535 1.00 0.00 C ATOM 469 CG ASN A 30 5.662 7.018 -3.409 1.00 0.00 C ATOM 470 OD1 ASN A 30 5.263 6.900 -2.252 1.00 0.00 O ATOM 471 ND2 ASN A 30 6.938 6.872 -3.741 1.00 0.00 N ATOM 0 H ASN A 30 3.031 7.423 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 30 5.178 5.679 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.163 8.066 -5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.810 7.819 -4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.630 6.653 -3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.227 6.978 -4.713 1.00 0.00 H new ATOM 478 N ILE A 31 2.404 5.216 -4.079 1.00 0.00 N ATOM 479 CA ILE A 31 1.724 4.259 -3.224 1.00 0.00 C ATOM 480 C ILE A 31 1.636 2.886 -3.898 1.00 0.00 C ATOM 481 O ILE A 31 1.902 1.861 -3.279 1.00 0.00 O ATOM 482 CB ILE A 31 0.339 4.775 -2.796 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.529 5.918 -1.802 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.519 3.669 -2.202 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.740 6.659 -1.482 1.00 0.00 C ATOM 0 H ILE A 31 1.828 6.001 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 31 2.316 4.140 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.192 5.137 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.949 5.519 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.258 6.621 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.488 4.076 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.662 2.882 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.023 3.255 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.526 7.456 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.150 7.089 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.464 5.970 -1.048 1.00 0.00 H new ATOM 497 N LEU A 32 1.273 2.874 -5.175 1.00 0.00 N ATOM 498 CA LEU A 32 1.159 1.625 -5.925 1.00 0.00 C ATOM 499 C LEU A 32 2.523 0.984 -6.226 1.00 0.00 C ATOM 500 O LEU A 32 2.611 -0.230 -6.384 1.00 0.00 O ATOM 501 CB LEU A 32 0.365 1.846 -7.214 1.00 0.00 C ATOM 502 CG LEU A 32 -1.130 2.114 -7.004 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.785 2.549 -8.305 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.817 0.875 -6.452 1.00 0.00 C ATOM 0 H LEU A 32 1.053 3.712 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 32 0.619 0.922 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.799 2.688 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.478 0.968 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.236 2.922 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.846 2.734 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.310 3.462 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.669 1.763 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.878 1.081 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.699 0.050 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.367 0.605 -5.497 1.00 0.00 H new ATOM 516 N GLU A 33 3.582 1.792 -6.327 1.00 0.00 N ATOM 517 CA GLU A 33 4.920 1.258 -6.618 1.00 0.00 C ATOM 518 C GLU A 33 5.679 0.876 -5.347 1.00 0.00 C ATOM 519 O GLU A 33 6.792 0.358 -5.423 1.00 0.00 O ATOM 520 CB GLU A 33 5.760 2.264 -7.413 1.00 0.00 C ATOM 521 CG GLU A 33 5.167 2.643 -8.759 1.00 0.00 C ATOM 522 CD GLU A 33 6.081 3.539 -9.569 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.214 3.111 -9.875 1.00 0.00 O ATOM 524 OE2 GLU A 33 5.665 4.669 -9.898 1.00 0.00 O ATOM 0 H GLU A 33 3.543 2.805 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 33 4.763 0.359 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.885 3.168 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.754 1.846 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.957 1.737 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.214 3.149 -8.602 1.00 0.00 H new ATOM 531 N LYS A 34 5.100 1.147 -4.186 1.00 0.00 N ATOM 532 CA LYS A 34 5.754 0.809 -2.926 1.00 0.00 C ATOM 533 C LYS A 34 4.818 0.025 -2.009 1.00 0.00 C ATOM 534 O LYS A 34 5.090 -1.126 -1.667 1.00 0.00 O ATOM 535 CB LYS A 34 6.238 2.087 -2.225 1.00 0.00 C ATOM 536 CG LYS A 34 6.965 1.835 -0.913 1.00 0.00 C ATOM 537 CD LYS A 34 8.270 1.084 -1.128 1.00 0.00 C ATOM 538 CE LYS A 34 9.031 0.913 0.175 1.00 0.00 C ATOM 539 NZ LYS A 34 10.312 0.179 -0.021 1.00 0.00 N ATOM 0 H LYS A 34 4.189 1.595 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 34 6.613 0.176 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.902 2.629 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.380 2.732 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.169 2.786 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.322 1.263 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.062 0.106 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.889 1.624 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.237 1.893 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.410 0.374 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.801 0.083 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.115 -0.766 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.916 0.706 -0.683 1.00 0.00 H new ATOM 553 N GLU A 35 3.716 0.659 -1.626 1.00 0.00 N ATOM 554 CA GLU A 35 2.729 0.049 -0.737 1.00 0.00 C ATOM 555 C GLU A 35 2.048 -1.167 -1.372 1.00 0.00 C ATOM 556 O GLU A 35 1.817 -2.174 -0.704 1.00 0.00 O ATOM 557 CB GLU A 35 1.678 1.096 -0.344 1.00 0.00 C ATOM 558 CG GLU A 35 2.211 2.177 0.589 1.00 0.00 C ATOM 559 CD GLU A 35 2.734 1.621 1.899 1.00 0.00 C ATOM 560 OE1 GLU A 35 2.010 0.834 2.542 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.868 1.976 2.281 1.00 0.00 O ATOM 0 H GLU A 35 3.480 1.607 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 35 3.255 -0.305 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.291 1.567 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.839 0.593 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.010 2.722 0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.417 2.895 0.796 1.00 0.00 H new ATOM 568 N PHE A 36 1.726 -1.069 -2.659 1.00 0.00 N ATOM 569 CA PHE A 36 1.059 -2.165 -3.365 1.00 0.00 C ATOM 570 C PHE A 36 1.876 -2.649 -4.561 1.00 0.00 C ATOM 571 O PHE A 36 1.313 -3.113 -5.558 1.00 0.00 O ATOM 572 CB PHE A 36 -0.336 -1.733 -3.823 1.00 0.00 C ATOM 573 CG PHE A 36 -1.250 -1.369 -2.687 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.383 -0.052 -2.284 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.966 -2.348 -2.016 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.211 0.286 -1.233 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.798 -2.016 -0.965 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.920 -0.697 -0.573 1.00 0.00 C ATOM 0 H PHE A 36 1.914 -0.248 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 36 0.967 -2.996 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.242 -0.878 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.788 -2.541 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.832 0.721 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.872 -3.381 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.304 1.318 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.353 -2.787 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.570 -0.435 0.249 1.00 0.00 H new ATOM 588 N LYS A 37 3.198 -2.533 -4.459 1.00 0.00 N ATOM 589 CA LYS A 37 4.092 -2.949 -5.539 1.00 0.00 C ATOM 590 C LYS A 37 3.911 -4.425 -5.881 1.00 0.00 C ATOM 591 O LYS A 37 3.992 -5.293 -5.011 1.00 0.00 O ATOM 592 CB LYS A 37 5.551 -2.688 -5.151 1.00 0.00 C ATOM 593 CG LYS A 37 6.500 -2.608 -6.339 1.00 0.00 C ATOM 594 CD LYS A 37 7.251 -3.915 -6.552 1.00 0.00 C ATOM 595 CE LYS A 37 7.992 -3.918 -7.879 1.00 0.00 C ATOM 596 NZ LYS A 37 9.098 -2.921 -7.903 1.00 0.00 N ATOM 0 H LYS A 37 3.675 -2.155 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 37 3.837 -2.361 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.606 -1.755 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.887 -3.481 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.936 -2.362 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.214 -1.800 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.959 -4.066 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.549 -4.749 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.397 -4.913 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.292 -3.702 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.577 -2.956 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.710 -1.968 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.781 -3.141 -7.150 1.00 0.00 H new ATOM 610 N GLY A 38 3.666 -4.699 -7.160 1.00 0.00 N ATOM 611 CA GLY A 38 3.490 -6.065 -7.610 1.00 0.00 C ATOM 612 C GLY A 38 2.056 -6.547 -7.519 1.00 0.00 C ATOM 613 O GLY A 38 1.740 -7.645 -7.978 1.00 0.00 O ATOM 0 H GLY A 38 3.586 -3.995 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.828 -6.146 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.125 -6.721 -7.014 1.00 0.00 H new ATOM 617 N VAL A 39 1.179 -5.738 -6.931 1.00 0.00 N ATOM 618 CA VAL A 39 -0.219 -6.128 -6.791 1.00 0.00 C ATOM 619 C VAL A 39 -1.117 -5.348 -7.752 1.00 0.00 C ATOM 620 O VAL A 39 -2.031 -5.919 -8.355 1.00 0.00 O ATOM 621 CB VAL A 39 -0.726 -5.957 -5.340 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.154 -6.469 -5.196 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.200 -6.663 -4.359 1.00 0.00 C ATOM 0 H VAL A 39 1.408 -4.820 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.271 -7.187 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.725 -4.892 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.486 -6.337 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.810 -5.910 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.189 -7.527 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.175 -6.530 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.238 -7.726 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.201 -6.239 -4.434 1.00 0.00 H new ATOM 633 N TYR A 40 -0.869 -4.050 -7.906 1.00 0.00 N ATOM 634 CA TYR A 40 -1.702 -3.249 -8.799 1.00 0.00 C ATOM 635 C TYR A 40 -0.920 -2.691 -9.980 1.00 0.00 C ATOM 636 O TYR A 40 0.251 -2.331 -9.860 1.00 0.00 O ATOM 637 CB TYR A 40 -2.355 -2.085 -8.059 1.00 0.00 C ATOM 638 CG TYR A 40 -3.589 -2.420 -7.269 1.00 0.00 C ATOM 639 CD1 TYR A 40 -3.510 -2.983 -6.005 1.00 0.00 C ATOM 640 CD2 TYR A 40 -4.843 -2.133 -7.784 1.00 0.00 C ATOM 641 CE1 TYR A 40 -4.650 -3.254 -5.279 1.00 0.00 C ATOM 642 CE2 TYR A 40 -5.985 -2.403 -7.067 1.00 0.00 C ATOM 643 CZ TYR A 40 -5.884 -2.960 -5.817 1.00 0.00 C ATOM 644 OH TYR A 40 -7.021 -3.219 -5.103 1.00 0.00 O ATOM 0 H TYR A 40 -0.119 -3.541 -7.438 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.468 -3.927 -9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.619 -1.652 -7.381 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.611 -1.315 -8.786 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.543 -3.212 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.925 -1.690 -8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.576 -3.694 -4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.955 -2.178 -7.485 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.798 -3.181 -5.700 1.00 0.00 H new ATOM 654 N ALA A 41 -1.592 -2.626 -11.125 1.00 0.00 N ATOM 655 CA ALA A 41 -1.013 -2.059 -12.330 1.00 0.00 C ATOM 656 C ALA A 41 -1.639 -0.687 -12.567 1.00 0.00 C ATOM 657 O ALA A 41 -2.863 -0.564 -12.638 1.00 0.00 O ATOM 658 CB ALA A 41 -1.247 -2.976 -13.522 1.00 0.00 C ATOM 0 H ALA A 41 -2.548 -2.964 -11.240 1.00 0.00 H new ATOM 0 HA ALA A 41 0.065 -1.953 -12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.805 -2.533 -14.414 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.785 -3.945 -13.332 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.318 -3.108 -13.675 1.00 0.00 H new ATOM 664 N LEU A 42 -0.810 0.345 -12.681 1.00 0.00 N ATOM 665 CA LEU A 42 -1.322 1.701 -12.868 1.00 0.00 C ATOM 666 C LEU A 42 -1.333 2.125 -14.334 1.00 0.00 C ATOM 667 O LEU A 42 -0.337 1.999 -15.047 1.00 0.00 O ATOM 668 CB LEU A 42 -0.506 2.702 -12.041 1.00 0.00 C ATOM 669 CG LEU A 42 -0.954 4.165 -12.150 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.379 4.337 -11.643 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.004 5.072 -11.383 1.00 0.00 C ATOM 0 H LEU A 42 0.207 0.273 -12.648 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.355 1.698 -12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.550 2.403 -10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.538 2.635 -12.348 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.931 4.448 -13.202 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.673 5.383 -11.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.053 3.720 -12.236 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.433 4.032 -10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.337 6.106 -11.471 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.006 4.783 -10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.001 4.978 -11.795 1.00 0.00 H new ATOM 683 N LYS A 43 -2.485 2.630 -14.760 1.00 0.00 N ATOM 684 CA LYS A 43 -2.689 3.112 -16.113 1.00 0.00 C ATOM 685 C LYS A 43 -3.207 4.540 -16.042 1.00 0.00 C ATOM 686 O LYS A 43 -4.089 4.849 -15.250 1.00 0.00 O ATOM 687 CB LYS A 43 -3.687 2.234 -16.871 1.00 0.00 C ATOM 688 CG LYS A 43 -3.060 1.374 -17.958 1.00 0.00 C ATOM 689 CD LYS A 43 -2.217 0.251 -17.379 1.00 0.00 C ATOM 690 CE LYS A 43 -1.737 -0.690 -18.469 1.00 0.00 C ATOM 691 NZ LYS A 43 -0.901 -1.795 -17.926 1.00 0.00 N ATOM 0 H LYS A 43 -3.310 2.715 -14.166 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.742 3.075 -16.651 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.197 1.585 -16.159 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.447 2.873 -17.321 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.846 0.952 -18.585 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.440 1.998 -18.602 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.360 0.670 -16.853 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.801 -0.305 -16.645 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.598 -1.109 -18.990 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.161 -0.128 -19.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.595 -2.413 -18.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.066 -1.397 -17.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.457 -2.348 -17.243 1.00 0.00 H new ATOM 705 N VAL A 44 -2.641 5.406 -16.855 1.00 0.00 N ATOM 706 CA VAL A 44 -3.026 6.810 -16.880 1.00 0.00 C ATOM 707 C VAL A 44 -3.528 7.207 -18.259 1.00 0.00 C ATOM 708 O VAL A 44 -2.882 6.950 -19.276 1.00 0.00 O ATOM 709 CB VAL A 44 -1.843 7.699 -16.447 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.180 9.178 -16.575 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.432 7.373 -15.018 1.00 0.00 C ATOM 0 H VAL A 44 -1.904 5.163 -17.517 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.842 6.957 -16.172 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.007 7.489 -17.114 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.324 9.775 -16.261 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.422 9.408 -17.613 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.036 9.412 -15.943 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.596 8.008 -14.726 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.273 7.550 -14.348 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.132 6.327 -14.955 1.00 0.00 H new ATOM 721 N ILE A 45 -4.698 7.836 -18.271 1.00 0.00 N ATOM 722 CA ILE A 45 -5.349 8.255 -19.493 1.00 0.00 C ATOM 723 C ILE A 45 -5.371 9.781 -19.571 1.00 0.00 C ATOM 724 O ILE A 45 -5.987 10.439 -18.729 1.00 0.00 O ATOM 725 CB ILE A 45 -6.804 7.725 -19.497 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.834 6.216 -19.211 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.522 8.039 -20.808 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.071 5.371 -20.207 1.00 0.00 C ATOM 0 H ILE A 45 -5.219 8.068 -17.425 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.804 7.858 -20.349 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.339 8.242 -18.700 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.425 6.040 -18.216 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.872 5.884 -19.192 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.539 7.650 -20.768 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.552 9.118 -20.957 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.988 7.573 -21.636 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.147 4.320 -19.926 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.493 5.512 -21.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.023 5.671 -20.211 1.00 0.00 H new ATOM 740 N ASP A 46 -4.692 10.350 -20.564 1.00 0.00 N ATOM 741 CA ASP A 46 -4.670 11.801 -20.722 1.00 0.00 C ATOM 742 C ASP A 46 -5.880 12.233 -21.540 1.00 0.00 C ATOM 743 O ASP A 46 -5.908 12.069 -22.761 1.00 0.00 O ATOM 744 CB ASP A 46 -3.371 12.249 -21.399 1.00 0.00 C ATOM 745 CG ASP A 46 -3.164 13.755 -21.344 1.00 0.00 C ATOM 746 OD1 ASP A 46 -4.165 14.507 -21.330 1.00 0.00 O ATOM 747 OD2 ASP A 46 -1.994 14.186 -21.296 1.00 0.00 O ATOM 0 H ASP A 46 -4.156 9.836 -21.263 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.713 12.272 -19.740 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.527 11.754 -20.919 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.380 11.926 -22.440 1.00 0.00 H new ATOM 752 N VAL A 47 -6.866 12.799 -20.859 1.00 0.00 N ATOM 753 CA VAL A 47 -8.111 13.223 -21.499 1.00 0.00 C ATOM 754 C VAL A 47 -7.946 14.413 -22.461 1.00 0.00 C ATOM 755 O VAL A 47 -8.795 14.622 -23.324 1.00 0.00 O ATOM 756 CB VAL A 47 -9.189 13.555 -20.444 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.401 12.369 -19.509 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.821 14.803 -19.654 1.00 0.00 C ATOM 0 H VAL A 47 -6.830 12.978 -19.855 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.428 12.373 -22.103 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.123 13.757 -20.968 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.164 12.619 -18.771 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.725 11.503 -20.087 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.466 12.136 -18.999 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.599 15.011 -18.919 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.872 14.643 -19.142 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.728 15.650 -20.334 1.00 0.00 H new ATOM 768 N LEU A 48 -6.879 15.201 -22.318 1.00 0.00 N ATOM 769 CA LEU A 48 -6.674 16.348 -23.206 1.00 0.00 C ATOM 770 C LEU A 48 -5.941 15.953 -24.485 1.00 0.00 C ATOM 771 O LEU A 48 -6.252 16.463 -25.561 1.00 0.00 O ATOM 772 CB LEU A 48 -5.927 17.484 -22.503 1.00 0.00 C ATOM 773 CG LEU A 48 -6.672 18.129 -21.331 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.823 19.221 -20.699 1.00 0.00 C ATOM 775 CD2 LEU A 48 -8.010 18.693 -21.790 1.00 0.00 C ATOM 0 H LEU A 48 -6.156 15.071 -21.610 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.667 16.707 -23.478 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.974 17.100 -22.139 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.700 18.257 -23.237 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.863 17.361 -20.581 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.367 19.669 -19.868 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.891 18.791 -20.333 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.602 19.986 -21.443 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.524 19.147 -20.942 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.842 19.447 -22.559 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.623 17.889 -22.198 1.00 0.00 H new ATOM 787 N LYS A 49 -4.965 15.054 -24.373 1.00 0.00 N ATOM 788 CA LYS A 49 -4.221 14.600 -25.547 1.00 0.00 C ATOM 789 C LYS A 49 -5.101 13.724 -26.427 1.00 0.00 C ATOM 790 O LYS A 49 -5.021 13.776 -27.654 1.00 0.00 O ATOM 791 CB LYS A 49 -2.949 13.853 -25.158 1.00 0.00 C ATOM 792 CG LYS A 49 -1.880 14.761 -24.577 1.00 0.00 C ATOM 793 CD LYS A 49 -0.617 13.990 -24.252 1.00 0.00 C ATOM 794 CE LYS A 49 0.449 14.901 -23.670 1.00 0.00 C ATOM 795 NZ LYS A 49 0.886 15.940 -24.642 1.00 0.00 N ATOM 0 H LYS A 49 -4.673 14.630 -23.493 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.924 15.485 -26.110 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.197 13.081 -24.430 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.549 13.346 -26.036 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.650 15.556 -25.287 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.259 15.240 -23.674 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.846 13.195 -23.543 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.237 13.512 -25.155 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.063 15.384 -22.772 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.309 14.304 -23.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.755 16.395 -24.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.071 15.497 -25.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.138 16.655 -24.745 1.00 0.00 H new ATOM 809 N ASN A 50 -5.937 12.915 -25.788 1.00 0.00 N ATOM 810 CA ASN A 50 -6.853 12.047 -26.510 1.00 0.00 C ATOM 811 C ASN A 50 -8.244 12.159 -25.908 1.00 0.00 C ATOM 812 O ASN A 50 -8.684 11.282 -25.159 1.00 0.00 O ATOM 813 CB ASN A 50 -6.388 10.596 -26.456 1.00 0.00 C ATOM 814 CG ASN A 50 -7.007 9.746 -27.552 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.176 9.913 -27.903 1.00 0.00 O ATOM 816 ND2 ASN A 50 -6.224 8.829 -28.104 1.00 0.00 N ATOM 0 H ASN A 50 -5.998 12.843 -24.772 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.875 12.363 -27.553 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.302 10.562 -26.544 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.642 10.172 -25.485 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.585 8.231 -28.847 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.261 8.722 -27.785 1.00 0.00 H new ATOM 823 N PRO A 51 -8.951 13.252 -26.223 1.00 0.00 N ATOM 824 CA PRO A 51 -10.304 13.488 -25.719 1.00 0.00 C ATOM 825 C PRO A 51 -11.304 12.443 -26.204 1.00 0.00 C ATOM 826 O PRO A 51 -12.376 12.283 -25.621 1.00 0.00 O ATOM 827 CB PRO A 51 -10.655 14.881 -26.250 1.00 0.00 C ATOM 828 CG PRO A 51 -9.728 15.104 -27.396 1.00 0.00 C ATOM 829 CD PRO A 51 -8.473 14.361 -27.064 1.00 0.00 C ATOM 0 HA PRO A 51 -10.347 13.420 -24.632 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.696 14.930 -26.569 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.521 15.642 -25.481 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.163 14.738 -28.326 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.527 16.166 -27.534 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.970 13.999 -27.961 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.761 14.992 -26.532 1.00 0.00 H new ATOM 837 N GLN A 52 -10.952 11.739 -27.279 1.00 0.00 N ATOM 838 CA GLN A 52 -11.806 10.690 -27.821 1.00 0.00 C ATOM 839 C GLN A 52 -11.961 9.585 -26.797 1.00 0.00 C ATOM 840 O GLN A 52 -13.054 9.065 -26.598 1.00 0.00 O ATOM 841 CB GLN A 52 -11.209 10.123 -29.111 1.00 0.00 C ATOM 842 CG GLN A 52 -11.239 11.095 -30.280 1.00 0.00 C ATOM 843 CD GLN A 52 -10.580 10.530 -31.523 1.00 0.00 C ATOM 844 OE1 GLN A 52 -11.173 9.735 -32.246 1.00 0.00 O ATOM 845 NE2 GLN A 52 -9.343 10.939 -31.777 1.00 0.00 N ATOM 0 H GLN A 52 -10.080 11.878 -27.790 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.783 11.115 -28.050 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.177 9.827 -28.923 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.754 9.221 -29.387 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.273 11.353 -30.507 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.735 12.018 -29.994 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.886 11.601 -31.150 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.850 10.591 -32.599 1.00 0.00 H new ATOM 854 N LEU A 53 -10.861 9.253 -26.125 1.00 0.00 N ATOM 855 CA LEU A 53 -10.888 8.213 -25.111 1.00 0.00 C ATOM 856 C LEU A 53 -11.654 8.703 -23.890 1.00 0.00 C ATOM 857 O LEU A 53 -12.360 7.935 -23.233 1.00 0.00 O ATOM 858 CB LEU A 53 -9.478 7.764 -24.731 1.00 0.00 C ATOM 859 CG LEU A 53 -8.713 7.046 -25.844 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.286 6.751 -25.408 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.430 5.765 -26.247 1.00 0.00 C ATOM 0 H LEU A 53 -9.949 9.688 -26.266 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.400 7.344 -25.523 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.905 8.637 -24.420 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.543 7.102 -23.868 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.675 7.702 -26.713 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.758 6.240 -26.213 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.776 7.686 -25.175 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.300 6.115 -24.523 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.870 5.269 -27.040 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.503 5.102 -25.385 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.431 6.006 -26.605 1.00 0.00 H new ATOM 873 N ALA A 54 -11.500 9.996 -23.588 1.00 0.00 N ATOM 874 CA ALA A 54 -12.187 10.608 -22.458 1.00 0.00 C ATOM 875 C ALA A 54 -13.691 10.570 -22.677 1.00 0.00 C ATOM 876 O ALA A 54 -14.453 10.290 -21.761 1.00 0.00 O ATOM 877 CB ALA A 54 -11.723 12.042 -22.269 1.00 0.00 C ATOM 0 H ALA A 54 -10.904 10.635 -24.114 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.947 10.043 -21.558 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.246 12.485 -21.421 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.649 12.055 -22.081 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.940 12.616 -23.169 1.00 0.00 H new ATOM 883 N GLU A 55 -14.103 10.872 -23.908 1.00 0.00 N ATOM 884 CA GLU A 55 -15.513 10.850 -24.283 1.00 0.00 C ATOM 885 C GLU A 55 -16.044 9.425 -24.244 1.00 0.00 C ATOM 886 O GLU A 55 -17.180 9.189 -23.831 1.00 0.00 O ATOM 887 CB GLU A 55 -15.721 11.454 -25.675 1.00 0.00 C ATOM 888 CG GLU A 55 -17.184 11.534 -26.089 1.00 0.00 C ATOM 889 CD GLU A 55 -17.377 12.171 -27.452 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.367 12.547 -28.083 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.541 12.294 -27.887 1.00 0.00 O ATOM 0 H GLU A 55 -13.474 11.136 -24.666 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.066 11.455 -23.564 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.290 12.455 -25.696 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.177 10.857 -26.407 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.609 10.530 -26.099 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.736 12.107 -25.344 1.00 0.00 H new ATOM 898 N GLU A 56 -15.215 8.479 -24.680 1.00 0.00 N ATOM 899 CA GLU A 56 -15.595 7.072 -24.691 1.00 0.00 C ATOM 900 C GLU A 56 -15.899 6.593 -23.273 1.00 0.00 C ATOM 901 O GLU A 56 -16.846 5.837 -23.058 1.00 0.00 O ATOM 902 CB GLU A 56 -14.477 6.225 -25.308 1.00 0.00 C ATOM 903 CG GLU A 56 -14.279 6.457 -26.804 1.00 0.00 C ATOM 904 CD GLU A 56 -15.521 6.151 -27.617 1.00 0.00 C ATOM 905 OE1 GLU A 56 -16.100 5.058 -27.432 1.00 0.00 O ATOM 906 OE2 GLU A 56 -15.915 7.003 -28.441 1.00 0.00 O ATOM 0 H GLU A 56 -14.275 8.664 -25.030 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.494 6.960 -25.297 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.543 6.441 -24.790 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.698 5.171 -25.140 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.988 7.494 -26.970 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.457 5.835 -27.158 1.00 0.00 H new ATOM 913 N ASP A 57 -15.094 7.034 -22.304 1.00 0.00 N ATOM 914 CA ASP A 57 -15.318 6.655 -20.909 1.00 0.00 C ATOM 915 C ASP A 57 -16.086 7.748 -20.160 1.00 0.00 C ATOM 916 O ASP A 57 -16.210 7.698 -18.936 1.00 0.00 O ATOM 917 CB ASP A 57 -13.999 6.312 -20.198 1.00 0.00 C ATOM 918 CG ASP A 57 -13.404 4.996 -20.660 1.00 0.00 C ATOM 919 OD1 ASP A 57 -14.122 4.211 -21.314 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.213 4.754 -20.370 1.00 0.00 O ATOM 0 H ASP A 57 -14.292 7.645 -22.457 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.931 5.754 -20.907 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.279 7.112 -20.373 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.172 6.269 -19.123 1.00 0.00 H new ATOM 925 N LYS A 58 -16.597 8.724 -20.920 1.00 0.00 N ATOM 926 CA LYS A 58 -17.397 9.837 -20.385 1.00 0.00 C ATOM 927 C LYS A 58 -16.739 10.538 -19.196 1.00 0.00 C ATOM 928 O LYS A 58 -17.354 10.710 -18.142 1.00 0.00 O ATOM 929 CB LYS A 58 -18.800 9.351 -20.015 1.00 0.00 C ATOM 930 CG LYS A 58 -19.613 8.890 -21.217 1.00 0.00 C ATOM 931 CD LYS A 58 -21.000 8.424 -20.808 1.00 0.00 C ATOM 932 CE LYS A 58 -21.809 7.963 -22.010 1.00 0.00 C ATOM 933 NZ LYS A 58 -23.168 7.496 -21.622 1.00 0.00 N ATOM 0 H LYS A 58 -16.467 8.766 -21.931 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.466 10.582 -21.178 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.717 8.529 -19.304 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.335 10.156 -19.510 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.699 9.707 -21.934 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.090 8.078 -21.721 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.914 7.608 -20.091 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.524 9.236 -20.305 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.897 8.782 -22.723 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.279 7.156 -22.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.686 7.191 -22.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -23.085 6.697 -20.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.684 8.273 -21.163 1.00 0.00 H new ATOM 947 N ILE A 59 -15.494 10.951 -19.376 1.00 0.00 N ATOM 948 CA ILE A 59 -14.761 11.644 -18.326 1.00 0.00 C ATOM 949 C ILE A 59 -15.003 13.150 -18.413 1.00 0.00 C ATOM 950 O ILE A 59 -14.532 13.813 -19.338 1.00 0.00 O ATOM 951 CB ILE A 59 -13.247 11.354 -18.431 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.989 9.846 -18.385 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.478 12.065 -17.324 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.470 9.183 -17.112 1.00 0.00 C ATOM 0 H ILE A 59 -14.969 10.818 -20.240 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.122 11.278 -17.365 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.891 11.738 -19.387 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.481 9.376 -19.237 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.920 9.666 -18.496 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.415 11.845 -17.420 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.635 13.141 -17.405 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.834 11.719 -16.354 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.253 8.116 -17.153 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.959 9.625 -16.256 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.545 9.330 -17.009 1.00 0.00 H new ATOM 966 N LEU A 60 -15.750 13.685 -17.448 1.00 0.00 N ATOM 967 CA LEU A 60 -16.063 15.113 -17.425 1.00 0.00 C ATOM 968 C LEU A 60 -15.278 15.857 -16.345 1.00 0.00 C ATOM 969 O LEU A 60 -15.321 17.086 -16.280 1.00 0.00 O ATOM 970 CB LEU A 60 -17.566 15.319 -17.207 1.00 0.00 C ATOM 971 CG LEU A 60 -18.474 14.693 -18.271 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.935 14.894 -17.907 1.00 0.00 C ATOM 973 CD2 LEU A 60 -18.179 15.286 -19.643 1.00 0.00 C ATOM 0 H LEU A 60 -16.148 13.153 -16.674 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.770 15.525 -18.391 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.835 14.906 -16.235 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.767 16.390 -17.166 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.272 13.623 -18.309 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.566 14.443 -18.673 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.139 14.422 -16.946 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.150 15.961 -17.841 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.834 14.829 -20.385 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.353 16.362 -19.619 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.140 15.092 -19.907 1.00 0.00 H new ATOM 985 N ALA A 61 -14.560 15.122 -15.503 1.00 0.00 N ATOM 986 CA ALA A 61 -13.782 15.737 -14.432 1.00 0.00 C ATOM 987 C ALA A 61 -12.477 14.986 -14.197 1.00 0.00 C ATOM 988 O ALA A 61 -12.440 13.762 -14.276 1.00 0.00 O ATOM 989 CB ALA A 61 -14.597 15.787 -13.146 1.00 0.00 C ATOM 0 H ALA A 61 -14.500 14.104 -15.540 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.538 16.754 -14.738 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.003 16.248 -12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.501 16.374 -13.310 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.871 14.775 -12.849 1.00 0.00 H new ATOM 995 N THR A 62 -11.418 15.730 -13.894 1.00 0.00 N ATOM 996 CA THR A 62 -10.105 15.157 -13.646 1.00 0.00 C ATOM 997 C THR A 62 -9.465 15.791 -12.411 1.00 0.00 C ATOM 998 O THR A 62 -9.718 16.957 -12.104 1.00 0.00 O ATOM 999 CB THR A 62 -9.159 15.384 -14.845 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.052 16.787 -15.116 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.639 14.660 -16.092 1.00 0.00 C ATOM 0 H THR A 62 -11.449 16.746 -13.814 1.00 0.00 H new ATOM 0 HA THR A 62 -10.248 14.088 -13.490 1.00 0.00 H new ATOM 0 HB THR A 62 -8.183 14.978 -14.579 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.156 17.100 -14.873 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.945 14.847 -16.911 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.688 13.589 -15.895 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.629 15.024 -16.366 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.622 15.033 -11.692 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.331 13.640 -12.027 1.00 0.00 C ATOM 1011 C PRO A 63 -9.468 12.693 -11.642 1.00 0.00 C ATOM 1012 O PRO A 63 -10.219 12.945 -10.700 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.072 13.338 -11.218 1.00 0.00 C ATOM 1014 CG PRO A 63 -7.136 14.251 -10.048 1.00 0.00 C ATOM 1015 CD PRO A 63 -7.864 15.489 -10.507 1.00 0.00 C ATOM 0 HA PRO A 63 -8.206 13.496 -13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.046 12.295 -10.903 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.173 13.515 -11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.660 13.779 -9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.135 14.499 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.527 15.874 -9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.170 16.291 -10.760 1.00 0.00 H new ATOM 1023 N THR A 64 -9.576 11.606 -12.384 1.00 0.00 N ATOM 1024 CA THR A 64 -10.589 10.589 -12.129 1.00 0.00 C ATOM 1025 C THR A 64 -9.909 9.265 -11.816 1.00 0.00 C ATOM 1026 O THR A 64 -9.110 8.771 -12.612 1.00 0.00 O ATOM 1027 CB THR A 64 -11.527 10.383 -13.336 1.00 0.00 C ATOM 1028 OG1 THR A 64 -11.331 11.423 -14.296 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.988 10.346 -12.900 1.00 0.00 C ATOM 0 H THR A 64 -8.969 11.400 -13.177 1.00 0.00 H new ATOM 0 HA THR A 64 -11.188 10.933 -11.286 1.00 0.00 H new ATOM 0 HB THR A 64 -11.283 9.423 -13.791 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.755 12.247 -13.977 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.625 10.200 -13.773 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.138 9.524 -12.200 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.247 11.287 -12.416 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.219 8.695 -10.664 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.631 7.427 -10.262 1.00 0.00 C ATOM 1039 C LEU A 65 -10.654 6.312 -10.438 1.00 0.00 C ATOM 1040 O LEU A 65 -11.696 6.320 -9.793 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.182 7.500 -8.798 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.450 6.262 -8.269 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.140 6.061 -9.016 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.197 6.388 -6.774 1.00 0.00 C ATOM 0 H LEU A 65 -10.875 9.090 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.762 7.219 -10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.529 8.365 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.059 7.675 -8.176 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.082 5.390 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.632 5.178 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.344 5.926 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.504 6.935 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.676 5.499 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.585 7.269 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.148 6.486 -6.251 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.367 5.361 -11.313 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.291 4.259 -11.551 1.00 0.00 C ATOM 1058 C ALA A 66 -10.554 2.942 -11.746 1.00 0.00 C ATOM 1059 O ALA A 66 -9.545 2.874 -12.447 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.170 4.554 -12.757 1.00 0.00 C ATOM 0 H ALA A 66 -9.511 5.328 -11.866 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.921 4.160 -10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.854 3.721 -12.921 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.742 5.464 -12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.544 4.689 -13.639 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.074 1.892 -11.120 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.487 0.571 -11.231 1.00 0.00 C ATOM 1068 C LYS A 67 -11.271 -0.226 -12.254 1.00 0.00 C ATOM 1069 O LYS A 67 -12.352 -0.731 -11.962 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.521 -0.136 -9.868 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.166 -1.620 -9.922 1.00 0.00 C ATOM 1072 CD LYS A 67 -9.842 -2.191 -8.544 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.061 -2.819 -7.879 1.00 0.00 C ATOM 1074 NZ LYS A 67 -11.760 -3.780 -8.777 1.00 0.00 N ATOM 0 H LYS A 67 -11.904 1.935 -10.529 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.448 0.654 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.828 0.367 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.518 -0.028 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.998 -2.174 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.310 -1.762 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.056 -2.940 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.451 -1.398 -7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.752 -3.334 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.755 -2.033 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.652 -3.360 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.154 -3.994 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.962 -4.657 -8.257 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.725 -0.328 -13.450 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.374 -1.063 -14.520 1.00 0.00 C ATOM 1090 C VAL A 68 -11.328 -2.563 -14.266 1.00 0.00 C ATOM 1091 O VAL A 68 -12.299 -3.276 -14.523 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.755 -0.724 -15.888 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.301 -1.625 -16.988 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -10.998 0.739 -16.228 1.00 0.00 C ATOM 0 H VAL A 68 -9.831 0.090 -13.706 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.420 -0.755 -14.538 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.681 -0.899 -15.822 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.842 -1.357 -17.939 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.071 -2.665 -16.754 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.381 -1.499 -17.058 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.555 0.966 -17.198 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.070 0.931 -16.265 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.543 1.370 -15.465 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.202 -3.039 -13.747 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.051 -4.473 -13.505 1.00 0.00 C ATOM 1106 C LEU A 69 -9.591 -4.763 -12.080 1.00 0.00 C ATOM 1107 O LEU A 69 -8.748 -4.051 -11.540 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.050 -5.080 -14.497 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.427 -4.955 -15.977 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.280 -5.418 -16.861 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.684 -5.756 -16.283 1.00 0.00 C ATOM 0 H LEU A 69 -9.396 -2.470 -13.490 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.031 -4.928 -13.646 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.081 -4.604 -14.346 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.926 -6.137 -14.260 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.628 -3.905 -16.188 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.566 -5.322 -17.908 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.401 -4.804 -16.667 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.050 -6.461 -16.642 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.933 -5.653 -17.339 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.511 -6.807 -16.052 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.510 -5.383 -15.677 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.134 -5.827 -11.451 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.156 -6.693 -12.062 1.00 0.00 C ATOM 1125 C PRO A 70 -12.540 -6.032 -12.092 1.00 0.00 C ATOM 1126 O PRO A 70 -12.832 -5.167 -11.269 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.162 -7.915 -11.142 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.761 -7.378 -9.812 1.00 0.00 C ATOM 1129 CD PRO A 70 -9.770 -6.280 -10.095 1.00 0.00 C ATOM 0 HA PRO A 70 -10.934 -6.923 -13.104 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.148 -8.378 -11.103 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.465 -8.678 -11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.625 -6.995 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.315 -8.157 -9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.848 -5.472 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.744 -6.646 -10.056 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.403 -6.423 -13.054 1.00 0.00 N ATOM 1138 CA PRO A 71 -14.763 -5.877 -13.179 1.00 0.00 C ATOM 1139 C PRO A 71 -15.611 -6.144 -11.934 1.00 0.00 C ATOM 1140 O PRO A 71 -15.420 -7.157 -11.258 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.344 -6.625 -14.385 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.154 -7.088 -15.148 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.120 -7.411 -14.109 1.00 0.00 C ATOM 0 HA PRO A 71 -14.754 -4.793 -13.297 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.964 -7.464 -14.070 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.974 -5.973 -14.990 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.391 -7.963 -15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.799 -6.315 -15.830 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.218 -8.433 -13.744 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.108 -7.308 -14.499 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.576 -5.256 -11.611 1.00 0.00 N ATOM 1152 CA PRO A 72 -16.874 -4.039 -12.387 1.00 0.00 C ATOM 1153 C PRO A 72 -15.892 -2.895 -12.125 1.00 0.00 C ATOM 1154 O PRO A 72 -15.085 -2.953 -11.199 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.270 -3.663 -11.893 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.293 -4.125 -10.479 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.472 -5.389 -10.444 1.00 0.00 C ATOM 0 HA PRO A 72 -16.801 -4.215 -13.460 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.442 -2.589 -11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.046 -4.150 -12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.875 -3.369 -9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.314 -4.313 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.909 -5.475 -9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.100 -6.277 -10.520 1.00 0.00 H new ATOM 1165 N VAL A 73 -15.973 -1.857 -12.955 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.100 -0.694 -12.821 1.00 0.00 C ATOM 1167 C VAL A 73 -15.512 0.147 -11.607 1.00 0.00 C ATOM 1168 O VAL A 73 -16.667 0.563 -11.491 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.142 0.183 -14.096 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.244 1.404 -13.954 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -14.750 -0.633 -15.321 1.00 0.00 C ATOM 0 H VAL A 73 -16.635 -1.798 -13.728 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.082 -1.057 -12.680 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.165 0.534 -14.228 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.294 2.001 -14.865 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.578 2.005 -13.108 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.216 1.082 -13.787 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.786 0.001 -16.207 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.739 -1.020 -15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.444 -1.465 -15.442 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.561 0.392 -10.708 1.00 0.00 N ATOM 1182 CA ARG A 74 -14.826 1.174 -9.500 1.00 0.00 C ATOM 1183 C ARG A 74 -14.334 2.601 -9.661 1.00 0.00 C ATOM 1184 O ARG A 74 -13.133 2.834 -9.745 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.116 0.559 -8.288 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.327 -0.935 -8.120 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.793 -1.277 -7.894 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.289 -0.754 -6.622 1.00 0.00 N ATOM 1189 CZ ARG A 74 -17.570 -0.781 -6.262 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.478 -1.303 -7.076 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -17.938 -0.287 -5.087 1.00 0.00 N ATOM 0 H ARG A 74 -13.600 0.061 -10.792 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.905 1.169 -9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.047 0.754 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.462 1.065 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.965 -1.455 -9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.736 -1.293 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.390 -0.870 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.920 -2.359 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.615 -0.345 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.195 -1.684 -7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.460 -1.323 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.239 0.113 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.919 -0.307 -4.810 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.248 3.558 -9.678 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.850 4.949 -9.805 1.00 0.00 C ATOM 1207 C ARG A 75 -14.813 5.617 -8.441 1.00 0.00 C ATOM 1208 O ARG A 75 -15.826 5.709 -7.746 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.777 5.717 -10.739 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.607 5.355 -12.203 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.501 6.199 -13.090 1.00 0.00 C ATOM 1212 NE ARG A 75 -17.914 5.877 -12.913 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.903 6.540 -13.509 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.629 7.554 -14.322 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.164 6.188 -13.294 1.00 0.00 N ATOM 0 H ARG A 75 -16.253 3.401 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.850 4.965 -10.239 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.810 5.530 -10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.599 6.785 -10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.566 5.495 -12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.840 4.300 -12.348 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.340 7.254 -12.867 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.223 6.047 -14.133 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.157 5.100 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.660 7.825 -14.490 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.387 8.061 -14.778 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.377 5.409 -12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.921 6.697 -13.751 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.634 6.078 -8.071 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.428 6.747 -6.800 1.00 0.00 C ATOM 1231 C ILE A 76 -13.246 8.247 -7.036 1.00 0.00 C ATOM 1232 O ILE A 76 -12.291 8.669 -7.689 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.194 6.169 -6.079 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.362 4.655 -5.924 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.999 6.832 -4.718 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -11.169 3.970 -5.314 1.00 0.00 C ATOM 0 H ILE A 76 -12.792 6.000 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.301 6.584 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.305 6.373 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.238 4.458 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.558 4.219 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.122 6.407 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.856 7.904 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.879 6.658 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.364 2.900 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.294 4.135 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.984 4.378 -4.320 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.168 9.050 -6.511 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.107 10.497 -6.695 1.00 0.00 C ATOM 1250 C ILE A 77 -13.943 11.219 -5.361 1.00 0.00 C ATOM 1251 O ILE A 77 -14.710 11.000 -4.424 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.372 11.025 -7.413 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.600 10.267 -8.724 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.254 12.521 -7.688 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.810 9.359 -8.694 1.00 0.00 C ATOM 0 H ILE A 77 -14.961 8.726 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.236 10.702 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.227 10.860 -6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.715 10.986 -9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.715 9.672 -8.949 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.154 12.870 -8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.136 13.056 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.387 12.707 -8.322 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.910 8.854 -9.655 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.688 8.617 -7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.704 9.951 -8.500 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.929 12.076 -5.286 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.668 12.825 -4.072 1.00 0.00 C ATOM 1269 C GLY A 78 -11.316 13.500 -4.114 1.00 0.00 C ATOM 1270 O GLY A 78 -10.706 13.606 -5.180 1.00 0.00 O ATOM 0 H GLY A 78 -12.280 12.265 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.446 13.576 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.714 12.155 -3.213 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.839 13.960 -2.963 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.537 14.614 -2.889 1.00 0.00 C ATOM 1276 C ASP A 79 -8.446 13.550 -2.851 1.00 0.00 C ATOM 1277 O ASP A 79 -8.188 12.946 -1.810 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.454 15.503 -1.642 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.153 16.283 -1.552 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.340 16.205 -2.497 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.948 16.971 -0.532 1.00 0.00 O ATOM 0 H ASP A 79 -11.331 13.893 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.400 15.246 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.290 16.202 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.561 14.882 -0.753 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.801 13.333 -3.992 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.758 12.319 -4.102 1.00 0.00 C ATOM 1288 C LEU A 80 -5.377 12.868 -3.755 1.00 0.00 C ATOM 1289 O LEU A 80 -4.397 12.126 -3.758 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.729 11.736 -5.516 1.00 0.00 C ATOM 1291 CG LEU A 80 -8.019 11.053 -5.975 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.891 10.612 -7.424 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.345 9.863 -5.083 1.00 0.00 C ATOM 0 H LEU A 80 -7.982 13.846 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.000 11.538 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.495 12.538 -6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.915 11.013 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.836 11.770 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.815 10.127 -7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.704 11.482 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.062 9.910 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.266 9.392 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.530 9.141 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.473 10.203 -4.055 1.00 0.00 H new ATOM 1305 N SER A 81 -5.292 14.165 -3.480 1.00 0.00 N ATOM 1306 CA SER A 81 -4.015 14.778 -3.117 1.00 0.00 C ATOM 1307 C SER A 81 -3.559 14.266 -1.752 1.00 0.00 C ATOM 1308 O SER A 81 -2.380 14.335 -1.404 1.00 0.00 O ATOM 1309 CB SER A 81 -4.131 16.303 -3.108 1.00 0.00 C ATOM 1310 OG SER A 81 -4.433 16.799 -4.401 1.00 0.00 O ATOM 0 H SER A 81 -6.083 14.809 -3.500 1.00 0.00 H new ATOM 0 HA SER A 81 -3.270 14.500 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.909 16.608 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.196 16.740 -2.757 1.00 0.00 H new ATOM 0 HG SER A 81 -4.504 17.776 -4.368 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.518 13.768 -0.978 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.244 13.212 0.338 1.00 0.00 C ATOM 1318 C ASN A 82 -3.809 11.754 0.191 1.00 0.00 C ATOM 1319 O ASN A 82 -4.581 10.912 -0.275 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.484 13.322 1.223 1.00 0.00 C ATOM 1321 CG ASN A 82 -5.268 12.757 2.613 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -5.601 11.605 2.882 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -4.710 13.565 3.505 1.00 0.00 N ATOM 0 H ASN A 82 -5.502 13.739 -1.246 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.439 13.774 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.775 14.369 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.312 12.796 0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.542 13.237 4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.449 14.515 3.240 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.571 11.466 0.588 1.00 0.00 N ATOM 1331 CA ARG A 83 -2.013 10.117 0.461 1.00 0.00 C ATOM 1332 C ARG A 83 -2.817 9.083 1.250 1.00 0.00 C ATOM 1333 O ARG A 83 -2.977 7.950 0.797 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.541 10.087 0.882 1.00 0.00 C ATOM 1335 CG ARG A 83 0.388 10.809 -0.082 1.00 0.00 C ATOM 1336 CD ARG A 83 1.849 10.549 0.252 1.00 0.00 C ATOM 1337 NE ARG A 83 2.225 11.099 1.554 1.00 0.00 N ATOM 1338 CZ ARG A 83 2.659 12.344 1.736 1.00 0.00 C ATOM 1339 NH1 ARG A 83 2.770 13.170 0.703 1.00 0.00 N ATOM 1340 NH2 ARG A 83 2.982 12.761 2.954 1.00 0.00 N ATOM 0 H ARG A 83 -1.934 12.147 1.001 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.079 9.847 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.446 10.538 1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.220 9.049 0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.183 10.481 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.190 11.880 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.036 9.475 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.480 10.987 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 83 2.150 10.493 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.522 12.851 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.103 14.123 0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.897 12.128 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.315 13.715 3.095 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.316 9.459 2.424 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.110 8.542 3.239 1.00 0.00 C ATOM 1356 C GLU A 84 -5.371 8.072 2.522 1.00 0.00 C ATOM 1357 O GLU A 84 -5.674 6.887 2.554 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.480 9.184 4.573 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.313 9.260 5.538 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.608 10.111 6.759 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.583 10.892 6.718 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -2.865 9.997 7.754 1.00 0.00 O ATOM 0 H GLU A 84 -3.187 10.385 2.831 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.487 7.666 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.861 10.189 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.288 8.614 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.048 8.253 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.445 9.667 5.019 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.100 8.974 1.865 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.309 8.558 1.152 1.00 0.00 C ATOM 1371 C LYS A 85 -6.956 7.603 0.020 1.00 0.00 C ATOM 1372 O LYS A 85 -7.658 6.619 -0.208 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.100 9.744 0.605 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.815 10.570 1.657 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.608 11.695 1.008 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.939 11.193 0.468 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.842 10.729 1.558 1.00 0.00 N ATOM 0 H LYS A 85 -5.884 9.969 1.811 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.944 8.047 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.420 10.393 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.836 9.374 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.484 9.932 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.089 10.986 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.784 12.486 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.026 12.132 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.427 11.990 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.762 10.375 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.829 10.766 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.600 9.751 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.729 11.345 2.388 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.871 7.897 -0.685 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.416 7.038 -1.769 1.00 0.00 C ATOM 1393 C VAL A 86 -5.021 5.660 -1.230 1.00 0.00 C ATOM 1394 O VAL A 86 -5.399 4.635 -1.792 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.240 7.681 -2.541 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.632 6.699 -3.530 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.722 8.931 -3.259 1.00 0.00 C ATOM 0 H VAL A 86 -5.292 8.721 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.243 6.914 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.464 7.955 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.808 7.178 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.261 5.826 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.391 6.388 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.891 9.382 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.513 8.665 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.108 9.643 -2.530 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.291 5.650 -0.117 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.853 4.403 0.512 1.00 0.00 C ATOM 1409 C LEU A 87 -5.031 3.620 1.083 1.00 0.00 C ATOM 1410 O LEU A 87 -5.134 2.413 0.872 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.854 4.693 1.630 1.00 0.00 C ATOM 1412 CG LEU A 87 -1.441 4.164 1.412 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -0.489 4.789 2.425 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.424 2.643 1.519 1.00 0.00 C ATOM 0 H LEU A 87 -3.989 6.494 0.370 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.377 3.800 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.800 5.772 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.241 4.269 2.556 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.109 4.438 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.518 4.406 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.489 5.872 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.815 4.537 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.409 2.278 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.767 2.344 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.084 2.218 0.763 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.908 4.307 1.802 1.00 0.00 N ATOM 1427 CA ILE A 88 -7.073 3.669 2.404 1.00 0.00 C ATOM 1428 C ILE A 88 -7.992 3.068 1.338 1.00 0.00 C ATOM 1429 O ILE A 88 -8.435 1.924 1.468 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.836 4.669 3.300 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.989 4.971 4.542 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.206 4.125 3.693 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.438 6.187 5.318 1.00 0.00 C ATOM 0 H ILE A 88 -5.835 5.308 1.983 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.723 2.849 3.031 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.005 5.591 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.011 4.104 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.953 5.112 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.719 4.851 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.796 3.943 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.083 3.191 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.786 6.330 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.389 7.067 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.463 6.043 5.658 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.269 3.833 0.282 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.121 3.350 -0.803 1.00 0.00 C ATOM 1447 C ALA A 89 -8.486 2.155 -1.517 1.00 0.00 C ATOM 1448 O ALA A 89 -9.173 1.182 -1.829 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.431 4.469 -1.785 1.00 0.00 C ATOM 0 H ALA A 89 -7.919 4.783 0.156 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.060 3.013 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.066 4.086 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.948 5.276 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.502 4.848 -2.210 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.177 2.227 -1.765 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.462 1.133 -2.427 1.00 0.00 C ATOM 1457 C LEU A 90 -6.427 -0.107 -1.536 1.00 0.00 C ATOM 1458 O LEU A 90 -6.548 -1.232 -2.021 1.00 0.00 O ATOM 1459 CB LEU A 90 -5.035 1.545 -2.811 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.930 2.566 -3.945 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -3.495 3.048 -4.085 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -5.422 1.965 -5.255 1.00 0.00 C ATOM 0 H LEU A 90 -6.593 3.026 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.004 0.896 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.544 1.955 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.481 0.651 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.563 3.420 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.433 3.774 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.176 3.515 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.846 2.200 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.339 2.707 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.816 1.095 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.464 1.663 -5.148 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.260 0.110 -0.228 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.210 -0.982 0.741 1.00 0.00 C ATOM 1476 C ARG A 91 -7.528 -1.755 0.756 1.00 0.00 C ATOM 1477 O ARG A 91 -7.536 -2.989 0.736 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.920 -0.426 2.141 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.785 -1.495 3.214 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.428 -0.888 4.563 1.00 0.00 C ATOM 1481 NE ARG A 91 -6.492 -0.027 5.075 1.00 0.00 N ATOM 1482 CZ ARG A 91 -6.372 0.730 6.163 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -5.235 0.730 6.849 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -7.388 1.482 6.563 1.00 0.00 N ATOM 0 H ARG A 91 -6.157 1.038 0.183 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.411 -1.664 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.000 0.157 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.721 0.258 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.721 -2.048 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.017 -2.211 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.231 -1.686 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.508 -0.311 4.469 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.378 -0.005 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.454 0.150 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.143 1.310 7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.262 1.480 6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.296 2.062 7.397 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.640 -1.023 0.791 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.968 -1.639 0.801 1.00 0.00 C ATOM 1500 C LEU A 92 -10.245 -2.383 -0.500 1.00 0.00 C ATOM 1501 O LEU A 92 -10.839 -3.462 -0.489 1.00 0.00 O ATOM 1502 CB LEU A 92 -11.052 -0.585 1.052 1.00 0.00 C ATOM 1503 CG LEU A 92 -11.513 -0.448 2.509 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -10.326 -0.287 3.446 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -12.469 0.727 2.654 1.00 0.00 C ATOM 0 H LEU A 92 -8.649 -0.003 0.813 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.989 -2.364 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.679 0.382 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.918 -0.826 0.436 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.038 -1.362 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.682 -0.192 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.678 -1.160 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.765 0.607 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.787 0.811 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.965 1.645 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.341 0.567 2.019 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.818 -1.804 -1.621 1.00 0.00 N ATOM 1518 CA LEU A 93 -10.015 -2.438 -2.921 1.00 0.00 C ATOM 1519 C LEU A 93 -9.233 -3.746 -2.997 1.00 0.00 C ATOM 1520 O LEU A 93 -9.724 -4.747 -3.521 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.577 -1.512 -4.058 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.461 -0.285 -4.287 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.815 0.647 -5.300 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.849 -0.703 -4.751 1.00 0.00 C ATOM 0 H LEU A 93 -9.338 -0.905 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.079 -2.646 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.561 -1.173 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.543 -2.090 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.566 0.249 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.454 1.516 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.844 0.972 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.683 0.121 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.463 0.184 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.768 -1.259 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.312 -1.334 -3.992 1.00 0.00 H new ATOM 1536 N ALA A 94 -8.009 -3.721 -2.467 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.139 -4.895 -2.465 1.00 0.00 C ATOM 1538 C ALA A 94 -7.729 -6.024 -1.638 1.00 0.00 C ATOM 1539 O ALA A 94 -7.616 -7.194 -2.005 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.746 -4.534 -1.973 1.00 0.00 C ATOM 0 H ALA A 94 -7.598 -2.895 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.058 -5.248 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.116 -5.423 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.313 -3.778 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.809 -4.142 -0.958 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.351 -5.675 -0.514 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.970 -6.665 0.357 1.00 0.00 C ATOM 1548 C GLU A 95 -10.085 -7.391 -0.387 1.00 0.00 C ATOM 1549 O GLU A 95 -10.280 -8.595 -0.219 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.517 -5.990 1.617 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.433 -5.503 2.568 1.00 0.00 C ATOM 1552 CD GLU A 95 -8.981 -4.655 3.698 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -10.128 -4.170 3.579 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.266 -4.477 4.706 1.00 0.00 O ATOM 0 H GLU A 95 -8.438 -4.713 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.218 -7.395 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.139 -5.144 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.162 -6.693 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.910 -6.363 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.698 -4.924 2.008 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.821 -6.640 -1.203 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.907 -7.195 -2.000 1.00 0.00 C ATOM 1563 C GLU A 96 -11.369 -8.225 -2.992 1.00 0.00 C ATOM 1564 O GLU A 96 -11.973 -9.275 -3.209 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.621 -6.075 -2.765 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.422 -5.134 -1.873 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.506 -5.846 -1.089 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -15.278 -6.613 -1.702 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.583 -5.636 0.140 1.00 0.00 O ATOM 0 H GLU A 96 -10.681 -5.637 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.613 -7.684 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.881 -5.495 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.290 -6.520 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.746 -4.636 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.876 -4.357 -2.488 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.221 -7.906 -3.585 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.574 -8.784 -4.555 1.00 0.00 C ATOM 1578 C ILE A 97 -9.051 -10.051 -3.879 1.00 0.00 C ATOM 1579 O ILE A 97 -9.228 -11.156 -4.388 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.422 -8.041 -5.259 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.992 -6.831 -5.990 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.682 -8.957 -6.235 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.942 -5.877 -6.479 1.00 0.00 C ATOM 0 H ILE A 97 -9.716 -7.037 -3.408 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.315 -9.076 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.700 -7.716 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.583 -7.175 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.671 -6.300 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.876 -8.402 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.266 -9.806 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.377 -9.317 -6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.420 -5.041 -6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.366 -5.504 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.276 -6.392 -7.172 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.414 -9.873 -2.719 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.876 -11.001 -1.971 1.00 0.00 C ATOM 1597 C GLY A 98 -8.959 -11.937 -1.464 1.00 0.00 C ATOM 1598 O GLY A 98 -8.702 -13.115 -1.216 1.00 0.00 O ATOM 0 H GLY A 98 -8.261 -8.963 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.188 -11.558 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.298 -10.629 -1.125 1.00 0.00 H new ATOM 1602 N ASP A 99 -10.164 -11.399 -1.295 1.00 0.00 N ATOM 1603 CA ASP A 99 -11.311 -12.176 -0.825 1.00 0.00 C ATOM 1604 C ASP A 99 -11.654 -13.298 -1.803 1.00 0.00 C ATOM 1605 O ASP A 99 -12.019 -14.402 -1.395 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.528 -11.267 -0.629 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.706 -11.998 -0.019 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.600 -12.423 1.151 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.738 -12.140 -0.709 1.00 0.00 O ATOM 0 H ASP A 99 -10.374 -10.418 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 99 -11.041 -12.624 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -12.253 -10.430 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.823 -10.848 -1.591 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.544 -13.007 -3.095 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.849 -13.989 -4.125 1.00 0.00 C ATOM 1616 C TYR A 100 -10.630 -14.858 -4.416 1.00 0.00 C ATOM 1617 O TYR A 100 -9.660 -14.409 -5.025 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.307 -13.290 -5.409 1.00 0.00 C ATOM 1619 CG TYR A 100 -13.650 -12.603 -5.285 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -13.740 -11.266 -4.916 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -14.830 -13.293 -5.537 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.966 -10.637 -4.802 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -16.059 -12.671 -5.425 1.00 0.00 C ATOM 1624 CZ TYR A 100 -16.121 -11.344 -5.057 1.00 0.00 C ATOM 1625 OH TYR A 100 -17.344 -10.722 -4.945 1.00 0.00 O ATOM 0 H TYR A 100 -11.246 -12.099 -3.452 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.655 -14.626 -3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -11.558 -12.553 -5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.358 -14.024 -6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.837 -10.709 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.786 -14.333 -5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.018 -9.597 -4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.966 -13.222 -5.625 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.056 -11.360 -5.160 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.697 -16.109 -3.978 1.00 0.00 N ATOM 1636 CA LYS A 101 -9.606 -17.053 -4.186 1.00 0.00 C ATOM 1637 C LYS A 101 -9.706 -17.710 -5.560 1.00 0.00 C ATOM 1638 O LYS A 101 -10.801 -18.000 -6.044 1.00 0.00 O ATOM 1639 CB LYS A 101 -9.614 -18.129 -3.094 1.00 0.00 C ATOM 1640 CG LYS A 101 -9.471 -17.578 -1.681 1.00 0.00 C ATOM 1641 CD LYS A 101 -8.111 -16.930 -1.464 1.00 0.00 C ATOM 1642 CE LYS A 101 -7.951 -16.440 -0.035 1.00 0.00 C ATOM 1643 NZ LYS A 101 -8.025 -17.556 0.949 1.00 0.00 N ATOM 0 H LYS A 101 -11.497 -16.494 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.669 -16.499 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.544 -18.693 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.802 -18.831 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.257 -16.846 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.609 -18.384 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.324 -17.648 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.991 -16.094 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.994 -15.929 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.728 -15.709 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.680 -17.227 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.011 -17.874 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.435 -18.347 0.621 1.00 0.00 H new ATOM 1657 N ASP A 102 -8.553 -17.946 -6.179 1.00 0.00 N ATOM 1658 CA ASP A 102 -8.496 -18.574 -7.496 1.00 0.00 C ATOM 1659 C ASP A 102 -7.110 -19.167 -7.727 1.00 0.00 C ATOM 1660 O ASP A 102 -6.150 -18.790 -7.054 1.00 0.00 O ATOM 1661 CB ASP A 102 -8.824 -17.555 -8.593 1.00 0.00 C ATOM 1662 CG ASP A 102 -9.432 -18.199 -9.825 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -9.532 -19.445 -9.857 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -9.811 -17.457 -10.755 1.00 0.00 O ATOM 0 H ASP A 102 -7.641 -17.711 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.237 -19.372 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.516 -16.811 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.914 -17.026 -8.876 1.00 0.00 H new ATOM 1669 N ASP A 103 -7.006 -20.086 -8.680 1.00 0.00 N ATOM 1670 CA ASP A 103 -5.727 -20.722 -8.982 1.00 0.00 C ATOM 1671 C ASP A 103 -4.950 -19.890 -9.999 1.00 0.00 C ATOM 1672 O ASP A 103 -5.292 -19.858 -11.180 1.00 0.00 O ATOM 1673 CB ASP A 103 -5.950 -22.142 -9.520 1.00 0.00 C ATOM 1674 CG ASP A 103 -4.657 -22.920 -9.700 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -3.579 -22.386 -9.349 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -4.724 -24.069 -10.179 1.00 0.00 O ATOM 0 H ASP A 103 -7.786 -20.407 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.145 -20.785 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.602 -22.685 -8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.469 -22.085 -10.477 1.00 0.00 H new ATOM 1681 N ASP A 104 -3.911 -19.208 -9.521 1.00 0.00 N ATOM 1682 CA ASP A 104 -3.071 -18.363 -10.373 1.00 0.00 C ATOM 1683 C ASP A 104 -2.281 -19.191 -11.386 1.00 0.00 C ATOM 1684 O ASP A 104 -1.960 -18.713 -12.473 1.00 0.00 O ATOM 1685 CB ASP A 104 -2.111 -17.532 -9.517 1.00 0.00 C ATOM 1686 CG ASP A 104 -1.396 -16.464 -10.320 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -2.081 -15.576 -10.870 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -0.150 -16.512 -10.394 1.00 0.00 O ATOM 0 H ASP A 104 -3.628 -19.224 -8.541 1.00 0.00 H new ATOM 0 HA ASP A 104 -3.732 -17.696 -10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.667 -17.061 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.374 -18.192 -9.058 1.00 0.00 H new ATOM 1693 N ASP A 105 -1.965 -20.429 -11.023 1.00 0.00 N ATOM 1694 CA ASP A 105 -1.202 -21.309 -11.906 1.00 0.00 C ATOM 1695 C ASP A 105 -2.133 -22.053 -12.859 1.00 0.00 C ATOM 1696 O ASP A 105 -2.789 -23.018 -12.473 1.00 0.00 O ATOM 1697 CB ASP A 105 -0.388 -22.313 -11.084 1.00 0.00 C ATOM 1698 CG ASP A 105 0.531 -23.163 -11.940 1.00 0.00 C ATOM 1699 OD1 ASP A 105 0.854 -22.739 -13.071 1.00 0.00 O ATOM 1700 OD2 ASP A 105 0.932 -24.252 -11.479 1.00 0.00 O ATOM 0 H ASP A 105 -2.223 -20.846 -10.129 1.00 0.00 H new ATOM 0 HA ASP A 105 -0.519 -20.694 -12.493 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.206 -21.775 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.069 -22.963 -10.534 1.00 0.00 H new ATOM 1705 N LYS A 106 -2.181 -21.601 -14.105 1.00 0.00 N ATOM 1706 CA LYS A 106 -3.033 -22.228 -15.111 1.00 0.00 C ATOM 1707 C LYS A 106 -2.210 -23.116 -16.039 1.00 0.00 C ATOM 1708 O LYS A 106 -1.091 -22.703 -16.412 1.00 0.00 O ATOM 1709 CB LYS A 106 -3.771 -21.161 -15.924 1.00 0.00 C ATOM 1710 CG LYS A 106 -4.680 -20.272 -15.087 1.00 0.00 C ATOM 1711 CD LYS A 106 -5.490 -19.320 -15.955 1.00 0.00 C ATOM 1712 CE LYS A 106 -4.609 -18.258 -16.596 1.00 0.00 C ATOM 1713 NZ LYS A 106 -5.404 -17.281 -17.389 1.00 0.00 N ATOM 1714 OXT LYS A 106 -2.692 -24.213 -16.390 1.00 0.00 O ATOM 0 H LYS A 106 -1.642 -20.804 -14.444 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.766 -22.850 -14.597 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.039 -20.537 -16.436 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -4.366 -21.651 -16.694 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.356 -20.893 -14.499 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.079 -19.699 -14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.004 -19.885 -16.733 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -6.258 -18.839 -15.349 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.054 -17.730 -15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.874 -18.738 -17.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.767 -16.574 -17.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.914 -17.781 -18.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.088 -16.804 -16.767 1.00 0.00 H new TER 1728 LYS A 106