USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 689 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 80 ASN : amide:sc= 1.07 K(o=1.1,f=-0.28) USER MOD Set 1.2: A 81 ASN : amide:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.1: A 30 SER OG : rot 139:sc= 1.25 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.947 K(o=2.2,f=-6.3!) USER MOD Single : A 22 HIS : no HD1:sc= -2.49 X(o=-2.5,f=-2.8!) USER MOD Single : A 25 GLN : amide:sc= -0.641 K(o=-0.64,f=0) USER MOD Single : A 27 SER OG : rot -174:sc= 0.00865 USER MOD Single : A 39 LYS NZ :NH3+ 131:sc= 0.635 (180deg=0.501) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0614 (180deg=-0.348) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.99) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 62 GLN : amide:sc= -0.388 K(o=-0.39,f=-9.6!) USER MOD Single : A 64 LYS NZ :NH3+ -117:sc= -0.471 (180deg=-0.876) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.59) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 86 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.56) USER MOD Single : A 88 THR OG1 : rot -2:sc= 2.02 USER MOD Single : A 93 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 96 SER OG : rot 136:sc= 1.11 USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= -0.0678 (180deg=-0.468) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.714 -11.549 -1.917 1.00 0.00 N ATOM 2 CA GLY A 15 3.549 -11.600 -3.118 1.00 0.00 C ATOM 3 C GLY A 15 4.899 -11.003 -2.860 1.00 0.00 C ATOM 4 O GLY A 15 5.734 -10.901 -3.756 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.661 -12.634 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.059 -11.062 -3.929 1.00 0.00 H new ATOM 8 N LEU A 16 5.142 -10.639 -1.625 1.00 0.00 N ATOM 9 CA LEU A 16 6.322 -9.941 -1.268 1.00 0.00 C ATOM 10 C LEU A 16 6.574 -10.018 0.198 1.00 0.00 C ATOM 11 O LEU A 16 5.781 -10.577 0.934 1.00 0.00 O ATOM 12 CB LEU A 16 6.300 -8.478 -1.747 1.00 0.00 C ATOM 13 CG LEU A 16 4.990 -7.681 -1.745 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.233 -7.790 -0.442 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.321 -6.241 -2.010 1.00 0.00 C ATOM 0 H LEU A 16 4.513 -10.827 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 16 7.147 -10.435 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.013 -7.927 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.682 -8.467 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 16 4.342 -8.096 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.316 -7.204 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.985 -8.834 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.852 -7.410 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.404 -5.652 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.987 -5.871 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.813 -6.153 -2.979 1.00 0.00 H new ATOM 27 N ARG A 17 7.646 -9.418 0.625 1.00 0.00 N ATOM 28 CA ARG A 17 8.024 -9.471 2.001 1.00 0.00 C ATOM 29 C ARG A 17 7.802 -8.152 2.673 1.00 0.00 C ATOM 30 O ARG A 17 7.998 -8.040 3.885 1.00 0.00 O ATOM 31 CB ARG A 17 9.468 -9.863 2.150 1.00 0.00 C ATOM 32 CG ARG A 17 9.798 -11.210 1.551 1.00 0.00 C ATOM 33 CD ARG A 17 11.198 -11.651 1.914 1.00 0.00 C ATOM 34 NE ARG A 17 12.228 -10.683 1.512 1.00 0.00 N ATOM 35 CZ ARG A 17 13.541 -10.924 1.525 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.004 -12.116 1.877 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.379 -9.964 1.185 1.00 0.00 N ATOM 0 H ARG A 17 8.278 -8.882 0.031 1.00 0.00 H new ATOM 0 HA ARG A 17 7.397 -10.225 2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.092 -9.103 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.725 -9.874 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.080 -11.951 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.701 -11.161 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.256 -11.808 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.405 -12.611 1.440 1.00 0.00 H new ATOM 0 HE ARG A 17 11.918 -9.762 1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.355 -12.858 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.009 -12.291 1.884 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.022 -9.047 0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.384 -10.138 1.192 1.00 0.00 H new ATOM 51 N GLU A 18 7.435 -7.120 1.912 1.00 0.00 N ATOM 52 CA GLU A 18 7.185 -5.835 2.584 1.00 0.00 C ATOM 53 C GLU A 18 6.253 -4.873 1.825 1.00 0.00 C ATOM 54 O GLU A 18 6.511 -4.582 0.660 1.00 0.00 O ATOM 55 CB GLU A 18 8.553 -5.185 2.819 1.00 0.00 C ATOM 56 CG GLU A 18 8.595 -3.826 3.482 1.00 0.00 C ATOM 57 CD GLU A 18 9.898 -3.632 4.186 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.036 -4.147 5.314 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.807 -3.002 3.619 1.00 0.00 O ATOM 0 H GLU A 18 7.309 -7.134 0.900 1.00 0.00 H new ATOM 0 HA GLU A 18 6.652 -6.040 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.147 -5.869 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.051 -5.100 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.458 -3.045 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.773 -3.735 4.192 1.00 0.00 H new ATOM 66 N ILE A 19 5.134 -4.435 2.476 1.00 0.00 N ATOM 67 CA ILE A 19 4.383 -3.279 2.002 1.00 0.00 C ATOM 68 C ILE A 19 4.294 -2.258 3.109 1.00 0.00 C ATOM 69 O ILE A 19 3.733 -2.493 4.193 1.00 0.00 O ATOM 70 CB ILE A 19 2.960 -3.591 1.424 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.050 -4.171 0.032 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.027 -2.363 1.441 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.583 -3.190 -0.987 1.00 0.00 C ATOM 0 H ILE A 19 4.754 -4.872 3.316 1.00 0.00 H new ATOM 0 HA ILE A 19 4.941 -2.890 1.150 1.00 0.00 H new ATOM 0 HB ILE A 19 2.518 -4.337 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.694 -5.050 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.061 -4.507 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.056 -2.638 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.901 -2.016 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.464 -1.566 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.623 -3.668 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.926 -2.321 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.585 -2.872 -0.697 1.00 0.00 H new ATOM 85 N ARG A 20 4.883 -1.173 2.861 1.00 0.00 N ATOM 86 CA ARG A 20 4.860 -0.078 3.752 1.00 0.00 C ATOM 87 C ARG A 20 4.094 1.025 3.114 1.00 0.00 C ATOM 88 O ARG A 20 4.478 1.545 2.066 1.00 0.00 O ATOM 89 CB ARG A 20 6.254 0.380 4.106 1.00 0.00 C ATOM 90 CG ARG A 20 7.003 -0.520 5.073 1.00 0.00 C ATOM 91 CD ARG A 20 8.393 0.035 5.312 1.00 0.00 C ATOM 92 NE ARG A 20 9.051 -0.555 6.464 1.00 0.00 N ATOM 93 CZ ARG A 20 10.355 -0.472 6.724 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.191 0.055 5.825 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.818 -0.924 7.879 1.00 0.00 N ATOM 0 H ARG A 20 5.416 -1.003 2.008 1.00 0.00 H new ATOM 0 HA ARG A 20 4.381 -0.382 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.836 0.464 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.193 1.379 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.461 -0.588 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.068 -1.530 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.003 -0.136 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.328 1.114 5.451 1.00 0.00 H new ATOM 0 HE ARG A 20 8.471 -1.072 7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.832 0.397 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.188 0.116 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.178 -1.331 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.815 -0.865 8.087 1.00 0.00 H new ATOM 109 N ILE A 21 3.029 1.393 3.715 1.00 0.00 N ATOM 110 CA ILE A 21 2.190 2.384 3.145 1.00 0.00 C ATOM 111 C ILE A 21 2.576 3.654 3.749 1.00 0.00 C ATOM 112 O ILE A 21 2.727 3.725 4.942 1.00 0.00 O ATOM 113 CB ILE A 21 0.754 2.226 3.553 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.479 0.854 4.182 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.140 2.495 2.345 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.745 0.834 5.037 1.00 0.00 C ATOM 0 H ILE A 21 2.711 1.022 4.610 1.00 0.00 H new ATOM 0 HA ILE A 21 2.290 2.318 2.062 1.00 0.00 H new ATOM 0 HB ILE A 21 0.526 2.955 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.373 0.113 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.339 0.558 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.185 2.382 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.030 3.510 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.096 1.785 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.883 -0.165 5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.633 1.552 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.614 1.100 4.435 1.00 0.00 H new ATOM 128 N HIS A 22 2.745 4.629 2.990 1.00 0.00 N ATOM 129 CA HIS A 22 3.014 5.903 3.567 1.00 0.00 C ATOM 130 C HIS A 22 1.670 6.580 3.684 1.00 0.00 C ATOM 131 O HIS A 22 1.005 6.799 2.673 1.00 0.00 O ATOM 132 CB HIS A 22 4.013 6.700 2.679 1.00 0.00 C ATOM 133 CG HIS A 22 5.355 6.003 2.488 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.333 6.431 1.606 1.00 0.00 N ATOM 135 CD2 HIS A 22 5.855 4.874 3.055 1.00 0.00 C ATOM 136 CE1 HIS A 22 7.352 5.592 1.646 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.081 4.651 2.513 1.00 0.00 N ATOM 0 H HIS A 22 2.708 4.601 1.971 1.00 0.00 H new ATOM 0 HA HIS A 22 3.490 5.831 4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.560 6.871 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.183 7.679 3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.367 4.265 3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.257 5.670 1.061 1.00 0.00 H new ATOM 0 HE2 HIS A 22 7.695 3.871 2.746 1.00 0.00 H new ATOM 146 N LEU A 23 1.267 6.889 4.903 1.00 0.00 N ATOM 147 CA LEU A 23 -0.038 7.461 5.137 1.00 0.00 C ATOM 148 C LEU A 23 -0.012 8.955 5.248 1.00 0.00 C ATOM 149 O LEU A 23 -0.071 9.627 4.251 1.00 0.00 O ATOM 150 CB LEU A 23 -0.772 6.796 6.333 1.00 0.00 C ATOM 151 CG LEU A 23 -2.125 7.424 6.757 1.00 0.00 C ATOM 152 CD1 LEU A 23 -3.113 7.474 5.602 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.711 6.671 7.931 1.00 0.00 C ATOM 0 H LEU A 23 1.828 6.752 5.744 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.624 7.235 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.946 5.749 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.104 6.814 7.194 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.930 8.453 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.047 7.921 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.697 8.074 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.304 6.463 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.660 7.124 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.875 5.631 7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.020 6.715 8.773 1.00 0.00 H new ATOM 165 N CYS A 24 0.134 9.427 6.457 1.00 0.00 N ATOM 166 CA CYS A 24 0.099 10.852 6.826 1.00 0.00 C ATOM 167 C CYS A 24 -1.228 11.551 6.504 1.00 0.00 C ATOM 168 O CYS A 24 -2.122 11.026 5.823 1.00 0.00 O ATOM 169 CB CYS A 24 1.186 11.661 6.137 1.00 0.00 C ATOM 170 SG CYS A 24 2.887 11.267 6.548 1.00 0.00 S ATOM 0 H CYS A 24 0.288 8.818 7.260 1.00 0.00 H new ATOM 0 HA CYS A 24 0.248 10.828 7.905 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.063 11.544 5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.019 12.714 6.364 1.00 0.00 H new ATOM 175 N GLN A 25 -1.327 12.739 7.036 1.00 0.00 N ATOM 176 CA GLN A 25 -2.326 13.711 6.706 1.00 0.00 C ATOM 177 C GLN A 25 -1.578 15.033 6.650 1.00 0.00 C ATOM 178 O GLN A 25 -1.696 15.898 7.524 1.00 0.00 O ATOM 179 CB GLN A 25 -3.509 13.715 7.708 1.00 0.00 C ATOM 180 CG GLN A 25 -4.357 12.437 7.636 1.00 0.00 C ATOM 181 CD GLN A 25 -5.496 12.363 8.641 1.00 0.00 C ATOM 182 OE1 GLN A 25 -6.544 11.752 8.366 1.00 0.00 O ATOM 183 NE2 GLN A 25 -5.314 12.938 9.801 1.00 0.00 N ATOM 0 H GLN A 25 -0.677 13.069 7.749 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.809 13.491 5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.121 13.831 8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.144 14.578 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.772 12.351 6.632 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.704 11.577 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.442 13.431 9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.044 12.893 10.512 1.00 0.00 H new ATOM 192 N ARG A 26 -0.703 15.101 5.661 1.00 0.00 N ATOM 193 CA ARG A 26 0.258 16.169 5.485 1.00 0.00 C ATOM 194 C ARG A 26 0.206 16.731 4.051 1.00 0.00 C ATOM 195 O ARG A 26 -0.308 17.837 3.830 1.00 0.00 O ATOM 196 CB ARG A 26 1.673 15.624 5.783 1.00 0.00 C ATOM 197 CG ARG A 26 2.790 16.638 5.646 1.00 0.00 C ATOM 198 CD ARG A 26 4.156 15.986 5.793 1.00 0.00 C ATOM 199 NE ARG A 26 5.245 16.965 5.661 1.00 0.00 N ATOM 200 CZ ARG A 26 6.387 16.788 4.964 1.00 0.00 C ATOM 201 NH1 ARG A 26 6.585 15.674 4.245 1.00 0.00 N ATOM 202 NH2 ARG A 26 7.312 17.744 4.971 1.00 0.00 N ATOM 0 H ARG A 26 -0.643 14.387 4.935 1.00 0.00 H new ATOM 0 HA ARG A 26 0.015 16.979 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.687 15.225 6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.874 14.790 5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.722 17.127 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.673 17.414 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.223 15.497 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.272 15.210 5.037 1.00 0.00 H new ATOM 0 HE ARG A 26 5.127 17.858 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.868 14.949 4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.452 15.552 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.155 18.602 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.178 17.619 4.447 1.00 0.00 H new ATOM 216 N SER A 27 0.716 15.970 3.080 1.00 0.00 N ATOM 217 CA SER A 27 0.756 16.404 1.709 1.00 0.00 C ATOM 218 C SER A 27 -0.551 15.921 0.999 1.00 0.00 C ATOM 219 O SER A 27 -1.425 15.405 1.695 1.00 0.00 O ATOM 220 CB SER A 27 2.017 15.793 1.108 1.00 0.00 C ATOM 221 OG SER A 27 3.124 16.019 1.976 1.00 0.00 O ATOM 0 H SER A 27 1.108 15.041 3.236 1.00 0.00 H new ATOM 0 HA SER A 27 0.795 17.487 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.876 14.723 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.214 16.232 0.130 1.00 0.00 H new ATOM 0 HG SER A 27 3.946 15.704 1.546 1.00 0.00 H new ATOM 227 N PRO A 28 -0.732 16.145 -0.362 1.00 0.00 N ATOM 228 CA PRO A 28 -1.914 15.710 -1.149 1.00 0.00 C ATOM 229 C PRO A 28 -2.651 14.454 -0.619 1.00 0.00 C ATOM 230 O PRO A 28 -3.852 14.505 -0.366 1.00 0.00 O ATOM 231 CB PRO A 28 -1.306 15.427 -2.522 1.00 0.00 C ATOM 232 CG PRO A 28 -0.098 16.324 -2.623 1.00 0.00 C ATOM 233 CD PRO A 28 0.164 16.909 -1.249 1.00 0.00 C ATOM 0 HA PRO A 28 -2.693 16.472 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.025 14.378 -2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.020 15.639 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.768 15.760 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.272 17.118 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.208 16.793 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.059 17.976 -1.220 1.00 0.00 H new ATOM 241 N GLY A 29 -1.925 13.348 -0.449 1.00 0.00 N ATOM 242 CA GLY A 29 -2.534 12.125 0.072 1.00 0.00 C ATOM 243 C GLY A 29 -3.546 11.543 -0.880 1.00 0.00 C ATOM 244 O GLY A 29 -3.377 11.675 -2.076 1.00 0.00 O ATOM 0 H GLY A 29 -0.930 13.274 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.755 11.388 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.016 12.339 1.026 1.00 0.00 H new ATOM 248 N SER A 30 -4.567 10.867 -0.352 1.00 0.00 N ATOM 249 CA SER A 30 -5.661 10.339 -1.149 1.00 0.00 C ATOM 250 C SER A 30 -6.703 9.649 -0.280 1.00 0.00 C ATOM 251 O SER A 30 -6.423 9.108 0.839 1.00 0.00 O ATOM 252 CB SER A 30 -5.203 9.378 -2.263 1.00 0.00 C ATOM 253 OG SER A 30 -6.287 8.952 -3.077 1.00 0.00 O ATOM 0 H SER A 30 -4.653 10.673 0.646 1.00 0.00 H new ATOM 0 HA SER A 30 -6.107 11.209 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.456 9.872 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.721 8.508 -1.816 1.00 0.00 H new ATOM 0 HG SER A 30 -6.007 8.942 -4.016 1.00 0.00 H new ATOM 259 N GLN A 31 -7.841 9.557 -0.859 1.00 0.00 N ATOM 260 CA GLN A 31 -9.011 9.025 -0.264 1.00 0.00 C ATOM 261 C GLN A 31 -8.979 7.562 -0.471 1.00 0.00 C ATOM 262 O GLN A 31 -9.425 6.811 0.362 1.00 0.00 O ATOM 263 CB GLN A 31 -10.319 9.631 -0.850 1.00 0.00 C ATOM 264 CG GLN A 31 -10.605 9.327 -2.345 1.00 0.00 C ATOM 265 CD GLN A 31 -9.837 10.190 -3.354 1.00 0.00 C ATOM 266 OE1 GLN A 31 -8.753 10.682 -3.091 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.370 10.314 -4.536 1.00 0.00 N ATOM 0 H GLN A 31 -7.991 9.869 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.019 9.279 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.160 9.267 -0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.283 10.713 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.370 8.280 -2.536 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.673 9.452 -2.525 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.278 9.893 -4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.879 10.832 -5.265 1.00 0.00 H new ATOM 276 N GLY A 32 -8.377 7.162 -1.581 1.00 0.00 N ATOM 277 CA GLY A 32 -8.192 5.781 -1.840 1.00 0.00 C ATOM 278 C GLY A 32 -7.239 5.230 -0.844 1.00 0.00 C ATOM 279 O GLY A 32 -7.368 4.084 -0.415 1.00 0.00 O ATOM 0 H GLY A 32 -8.017 7.788 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.145 5.255 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.809 5.635 -2.850 1.00 0.00 H new ATOM 283 N VAL A 33 -6.326 6.103 -0.402 1.00 0.00 N ATOM 284 CA VAL A 33 -5.354 5.725 0.598 1.00 0.00 C ATOM 285 C VAL A 33 -6.075 5.464 1.886 1.00 0.00 C ATOM 286 O VAL A 33 -6.153 4.344 2.316 1.00 0.00 O ATOM 287 CB VAL A 33 -4.284 6.815 0.831 1.00 0.00 C ATOM 288 CG1 VAL A 33 -3.229 6.365 1.834 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.639 7.172 -0.454 1.00 0.00 C ATOM 0 H VAL A 33 -6.250 7.067 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.836 4.835 0.241 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.785 7.690 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.495 7.159 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.706 6.143 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.731 5.470 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.886 7.941 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.164 6.288 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.391 7.550 -1.146 1.00 0.00 H new ATOM 299 N ARG A 34 -6.637 6.515 2.470 1.00 0.00 N ATOM 300 CA ARG A 34 -7.369 6.426 3.746 1.00 0.00 C ATOM 301 C ARG A 34 -8.412 5.324 3.765 1.00 0.00 C ATOM 302 O ARG A 34 -8.520 4.585 4.736 1.00 0.00 O ATOM 303 CB ARG A 34 -7.993 7.746 4.124 1.00 0.00 C ATOM 304 CG ARG A 34 -9.034 8.295 3.187 1.00 0.00 C ATOM 305 CD ARG A 34 -9.100 9.805 3.298 1.00 0.00 C ATOM 306 NE ARG A 34 -9.320 10.244 4.679 1.00 0.00 N ATOM 307 CZ ARG A 34 -8.937 11.420 5.190 1.00 0.00 C ATOM 308 NH1 ARG A 34 -8.251 12.288 4.461 1.00 0.00 N ATOM 309 NH2 ARG A 34 -9.210 11.690 6.456 1.00 0.00 N ATOM 0 H ARG A 34 -6.603 7.457 2.080 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.619 6.166 4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.446 7.638 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.197 8.484 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.797 8.009 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.007 7.864 3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.172 10.237 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.904 10.180 2.666 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.806 9.599 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.008 12.064 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.966 13.180 4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.706 11.006 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.925 12.582 6.860 1.00 0.00 H new ATOM 323 N ASP A 35 -9.165 5.221 2.696 1.00 0.00 N ATOM 324 CA ASP A 35 -10.151 4.168 2.550 1.00 0.00 C ATOM 325 C ASP A 35 -9.521 2.835 2.680 1.00 0.00 C ATOM 326 O ASP A 35 -10.019 1.999 3.413 1.00 0.00 O ATOM 327 CB ASP A 35 -10.938 4.239 1.252 1.00 0.00 C ATOM 328 CG ASP A 35 -12.229 5.028 1.339 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.241 6.257 1.121 1.00 0.00 O ATOM 330 OD2 ASP A 35 -13.284 4.415 1.603 1.00 0.00 O ATOM 0 H ASP A 35 -9.115 5.861 1.903 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.865 4.323 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.306 4.685 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.169 3.225 0.926 1.00 0.00 H new ATOM 335 N PHE A 36 -8.434 2.634 1.975 1.00 0.00 N ATOM 336 CA PHE A 36 -7.649 1.439 2.122 1.00 0.00 C ATOM 337 C PHE A 36 -7.302 1.268 3.576 1.00 0.00 C ATOM 338 O PHE A 36 -7.773 0.353 4.199 1.00 0.00 O ATOM 339 CB PHE A 36 -6.419 1.514 1.182 1.00 0.00 C ATOM 340 CG PHE A 36 -5.125 0.830 1.580 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.297 1.438 2.481 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.682 -0.335 0.967 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.087 0.902 2.786 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.451 -0.854 1.253 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.652 -0.239 2.166 1.00 0.00 C ATOM 0 H PHE A 36 -8.072 3.294 1.286 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.204 0.550 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.721 1.104 0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.194 2.569 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.609 2.356 2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.319 -0.837 0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.461 1.380 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.113 -1.751 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.680 -0.648 2.401 1.00 0.00 H new ATOM 355 N ILE A 37 -6.667 2.271 4.104 1.00 0.00 N ATOM 356 CA ILE A 37 -6.124 2.305 5.474 1.00 0.00 C ATOM 357 C ILE A 37 -7.197 1.877 6.529 1.00 0.00 C ATOM 358 O ILE A 37 -6.886 1.209 7.498 1.00 0.00 O ATOM 359 CB ILE A 37 -5.677 3.753 5.906 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.822 4.553 4.899 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.022 3.771 7.275 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.530 3.940 4.473 1.00 0.00 C ATOM 0 H ILE A 37 -6.494 3.135 3.590 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.276 1.620 5.453 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.630 4.281 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.424 4.729 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.607 5.528 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.732 4.791 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.726 3.400 8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.137 3.135 7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.029 4.602 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.893 3.791 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.723 2.979 3.996 1.00 0.00 H new ATOM 374 N GLU A 38 -8.435 2.316 6.346 1.00 0.00 N ATOM 375 CA GLU A 38 -9.462 2.124 7.371 1.00 0.00 C ATOM 376 C GLU A 38 -10.500 1.085 7.003 1.00 0.00 C ATOM 377 O GLU A 38 -10.753 0.133 7.738 1.00 0.00 O ATOM 378 CB GLU A 38 -10.078 3.456 7.855 1.00 0.00 C ATOM 379 CG GLU A 38 -10.772 4.284 6.795 1.00 0.00 C ATOM 380 CD GLU A 38 -11.207 5.621 7.319 1.00 0.00 C ATOM 381 OE1 GLU A 38 -12.306 5.724 7.895 1.00 0.00 O ATOM 382 OE2 GLU A 38 -10.460 6.610 7.161 1.00 0.00 O ATOM 0 H GLU A 38 -8.754 2.803 5.508 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.940 1.705 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.796 3.237 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.287 4.059 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.099 4.428 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.641 3.741 6.422 1.00 0.00 H new ATOM 389 N LYS A 39 -11.091 1.288 5.853 1.00 0.00 N ATOM 390 CA LYS A 39 -12.164 0.472 5.345 1.00 0.00 C ATOM 391 C LYS A 39 -11.631 -0.829 4.861 1.00 0.00 C ATOM 392 O LYS A 39 -12.207 -1.898 5.112 1.00 0.00 O ATOM 393 CB LYS A 39 -12.820 1.179 4.143 1.00 0.00 C ATOM 394 CG LYS A 39 -13.848 0.338 3.383 1.00 0.00 C ATOM 395 CD LYS A 39 -14.287 1.025 2.103 1.00 0.00 C ATOM 396 CE LYS A 39 -15.193 0.133 1.253 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.505 -1.096 0.762 1.00 0.00 N ATOM 0 H LYS A 39 -10.831 2.049 5.225 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.885 0.312 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.306 2.089 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.037 1.485 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.420 -0.636 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.716 0.160 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.814 1.947 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.408 1.306 1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.065 -0.155 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.559 0.704 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.098 -1.928 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.345 -1.018 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.592 -1.200 1.248 1.00 0.00 H new ATOM 411 N ARG A 40 -10.522 -0.763 4.192 1.00 0.00 N ATOM 412 CA ARG A 40 -10.089 -1.887 3.491 1.00 0.00 C ATOM 413 C ARG A 40 -9.025 -2.630 4.249 1.00 0.00 C ATOM 414 O ARG A 40 -8.901 -3.772 4.064 1.00 0.00 O ATOM 415 CB ARG A 40 -9.631 -1.451 2.100 1.00 0.00 C ATOM 416 CG ARG A 40 -9.225 -2.558 1.163 1.00 0.00 C ATOM 417 CD ARG A 40 -10.359 -3.490 0.784 1.00 0.00 C ATOM 418 NE ARG A 40 -9.898 -4.474 -0.206 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.568 -5.549 -0.619 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.788 -5.785 -0.183 1.00 0.00 N ATOM 421 NH2 ARG A 40 -10.008 -6.389 -1.485 1.00 0.00 N ATOM 0 H ARG A 40 -9.919 0.057 4.128 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.912 -2.592 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.438 -0.885 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.788 -0.770 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.810 -2.119 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.429 -3.140 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.730 -4.003 1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.191 -2.916 0.376 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.977 -4.319 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.227 -5.142 0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.294 -6.610 -0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.066 -6.210 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.521 -7.212 -1.801 1.00 0.00 H new ATOM 435 N TYR A 41 -8.319 -1.952 5.144 1.00 0.00 N ATOM 436 CA TYR A 41 -7.153 -2.523 5.917 1.00 0.00 C ATOM 437 C TYR A 41 -7.278 -3.996 6.313 1.00 0.00 C ATOM 438 O TYR A 41 -6.519 -4.827 5.849 1.00 0.00 O ATOM 439 CB TYR A 41 -6.951 -1.709 7.160 1.00 0.00 C ATOM 440 CG TYR A 41 -5.751 -2.056 8.008 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.513 -1.491 7.766 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.879 -2.936 9.070 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.430 -1.800 8.559 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.822 -3.250 9.868 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.587 -2.682 9.613 1.00 0.00 C ATOM 446 OH TYR A 41 -2.509 -2.976 10.423 1.00 0.00 O ATOM 0 H TYR A 41 -8.517 -0.979 5.378 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.303 -2.474 5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.873 -0.661 6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.844 -1.804 7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.393 -0.799 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.841 -3.384 9.270 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.465 -1.357 8.359 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.947 -3.936 10.693 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.785 -3.610 11.117 1.00 0.00 H new ATOM 456 N VAL A 42 -8.180 -4.282 7.186 1.00 0.00 N ATOM 457 CA VAL A 42 -8.387 -5.628 7.679 1.00 0.00 C ATOM 458 C VAL A 42 -8.743 -6.606 6.531 1.00 0.00 C ATOM 459 O VAL A 42 -8.242 -7.743 6.472 1.00 0.00 O ATOM 460 CB VAL A 42 -9.439 -5.592 8.810 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.584 -4.682 8.419 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.927 -6.986 9.185 1.00 0.00 C ATOM 0 H VAL A 42 -8.810 -3.590 7.592 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.460 -6.016 8.101 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.964 -5.187 9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.322 -4.661 9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.206 -3.674 8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.050 -5.055 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.665 -6.911 9.984 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.382 -7.459 8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.084 -7.587 9.526 1.00 0.00 H new ATOM 472 N GLU A 43 -9.501 -6.111 5.583 1.00 0.00 N ATOM 473 CA GLU A 43 -9.882 -6.866 4.407 1.00 0.00 C ATOM 474 C GLU A 43 -8.684 -6.983 3.482 1.00 0.00 C ATOM 475 O GLU A 43 -8.577 -7.916 2.771 1.00 0.00 O ATOM 476 CB GLU A 43 -11.024 -6.157 3.678 1.00 0.00 C ATOM 477 CG GLU A 43 -12.259 -5.877 4.528 1.00 0.00 C ATOM 478 CD GLU A 43 -12.940 -7.131 5.011 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.534 -7.858 4.181 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.906 -7.423 6.217 1.00 0.00 O ATOM 0 H GLU A 43 -9.876 -5.163 5.603 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.216 -7.859 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.651 -5.212 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.321 -6.764 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.971 -5.272 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.967 -5.287 3.946 1.00 0.00 H new ATOM 487 N LEU A 44 -7.768 -6.040 3.555 1.00 0.00 N ATOM 488 CA LEU A 44 -6.603 -6.008 2.741 1.00 0.00 C ATOM 489 C LEU A 44 -5.607 -7.009 3.296 1.00 0.00 C ATOM 490 O LEU A 44 -4.898 -7.681 2.549 1.00 0.00 O ATOM 491 CB LEU A 44 -6.127 -4.550 2.780 1.00 0.00 C ATOM 492 CG LEU A 44 -4.661 -4.238 2.862 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.951 -4.366 1.547 1.00 0.00 C ATOM 494 CD2 LEU A 44 -4.460 -2.896 3.513 1.00 0.00 C ATOM 0 H LEU A 44 -7.829 -5.258 4.207 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.762 -6.297 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.513 -4.060 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.607 -4.076 3.636 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.194 -4.994 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.896 -4.126 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.048 -5.387 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.392 -3.677 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.394 -2.675 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.959 -2.127 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.881 -2.913 4.518 1.00 0.00 H new ATOM 506 N LYS A 45 -5.622 -7.141 4.602 1.00 0.00 N ATOM 507 CA LYS A 45 -4.804 -8.092 5.292 1.00 0.00 C ATOM 508 C LYS A 45 -5.269 -9.497 4.974 1.00 0.00 C ATOM 509 O LYS A 45 -4.461 -10.383 4.698 1.00 0.00 O ATOM 510 CB LYS A 45 -4.829 -7.829 6.809 1.00 0.00 C ATOM 511 CG LYS A 45 -3.942 -8.760 7.616 1.00 0.00 C ATOM 512 CD LYS A 45 -3.934 -8.400 9.089 1.00 0.00 C ATOM 513 CE LYS A 45 -3.004 -9.313 9.882 1.00 0.00 C ATOM 514 NZ LYS A 45 -1.613 -9.282 9.365 1.00 0.00 N ATOM 0 H LYS A 45 -6.213 -6.581 5.216 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.773 -7.985 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.520 -6.800 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.855 -7.922 7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.289 -9.786 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.925 -8.719 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.618 -7.364 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.946 -8.474 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.007 -9.011 10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.381 -10.335 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.974 -9.719 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.563 -9.810 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.325 -8.296 9.202 1.00 0.00 H new ATOM 528 N LYS A 46 -6.573 -9.704 4.980 1.00 0.00 N ATOM 529 CA LYS A 46 -7.094 -11.020 4.695 1.00 0.00 C ATOM 530 C LYS A 46 -7.081 -11.309 3.205 1.00 0.00 C ATOM 531 O LYS A 46 -6.842 -12.451 2.806 1.00 0.00 O ATOM 532 CB LYS A 46 -8.506 -11.209 5.265 1.00 0.00 C ATOM 533 CG LYS A 46 -9.605 -10.444 4.537 1.00 0.00 C ATOM 534 CD LYS A 46 -10.560 -9.799 5.543 1.00 0.00 C ATOM 535 CE LYS A 46 -11.218 -10.819 6.471 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.193 -11.693 5.781 1.00 0.00 N ATOM 0 H LYS A 46 -7.276 -8.991 5.175 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.436 -11.735 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.750 -12.271 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.503 -10.902 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.163 -9.677 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.157 -11.120 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.013 -9.070 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.334 -9.252 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.445 -11.437 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.722 -10.291 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.604 -12.362 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.950 -11.111 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.712 -12.221 5.026 1.00 0.00 H new ATOM 550 N ALA A 47 -7.282 -10.275 2.379 1.00 0.00 N ATOM 551 CA ALA A 47 -7.423 -10.496 0.970 1.00 0.00 C ATOM 552 C ALA A 47 -6.081 -10.749 0.291 1.00 0.00 C ATOM 553 O ALA A 47 -6.010 -11.402 -0.765 1.00 0.00 O ATOM 554 CB ALA A 47 -8.151 -9.362 0.268 1.00 0.00 C ATOM 0 H ALA A 47 -7.347 -9.301 2.673 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.033 -11.394 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.229 -9.583 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.150 -9.255 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.597 -8.433 0.406 1.00 0.00 H new ATOM 560 N ASN A 48 -5.024 -10.247 0.900 1.00 0.00 N ATOM 561 CA ASN A 48 -3.700 -10.358 0.387 1.00 0.00 C ATOM 562 C ASN A 48 -2.873 -10.864 1.565 1.00 0.00 C ATOM 563 O ASN A 48 -2.396 -10.096 2.382 1.00 0.00 O ATOM 564 CB ASN A 48 -3.109 -9.003 -0.130 1.00 0.00 C ATOM 565 CG ASN A 48 -4.008 -8.157 -1.067 1.00 0.00 C ATOM 566 OD1 ASN A 48 -4.918 -8.664 -1.744 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.705 -6.863 -1.187 1.00 0.00 N ATOM 0 H ASN A 48 -5.079 -9.742 1.784 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.689 -11.019 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.853 -8.393 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.179 -9.218 -0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.223 -6.276 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.955 -6.460 -0.625 1.00 0.00 H new ATOM 574 N PRO A 49 -2.820 -12.174 1.713 1.00 0.00 N ATOM 575 CA PRO A 49 -2.170 -12.862 2.856 1.00 0.00 C ATOM 576 C PRO A 49 -0.699 -12.562 2.980 1.00 0.00 C ATOM 577 O PRO A 49 -0.219 -12.081 4.006 1.00 0.00 O ATOM 578 CB PRO A 49 -2.399 -14.342 2.542 1.00 0.00 C ATOM 579 CG PRO A 49 -2.655 -14.357 1.082 1.00 0.00 C ATOM 580 CD PRO A 49 -3.428 -13.110 0.800 1.00 0.00 C ATOM 0 HA PRO A 49 -2.585 -12.537 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.529 -14.946 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.244 -14.744 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.721 -14.376 0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.220 -15.243 0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.328 -12.793 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.493 -13.237 0.993 1.00 0.00 H new ATOM 588 N ASP A 50 -0.010 -12.819 1.937 1.00 0.00 N ATOM 589 CA ASP A 50 1.445 -12.579 1.864 1.00 0.00 C ATOM 590 C ASP A 50 1.718 -11.102 1.487 1.00 0.00 C ATOM 591 O ASP A 50 2.584 -10.770 0.673 1.00 0.00 O ATOM 592 CB ASP A 50 2.087 -13.565 0.859 1.00 0.00 C ATOM 593 CG ASP A 50 3.608 -13.473 0.776 1.00 0.00 C ATOM 594 OD1 ASP A 50 4.289 -13.794 1.767 1.00 0.00 O ATOM 595 OD2 ASP A 50 4.133 -13.097 -0.312 1.00 0.00 O ATOM 0 H ASP A 50 -0.409 -13.206 1.082 1.00 0.00 H new ATOM 0 HA ASP A 50 1.900 -12.757 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.811 -14.582 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.669 -13.381 -0.131 1.00 0.00 H new ATOM 600 N LEU A 51 0.970 -10.224 2.089 1.00 0.00 N ATOM 601 CA LEU A 51 1.109 -8.830 1.856 1.00 0.00 C ATOM 602 C LEU A 51 1.333 -8.148 3.231 1.00 0.00 C ATOM 603 O LEU A 51 0.385 -7.999 3.996 1.00 0.00 O ATOM 604 CB LEU A 51 -0.203 -8.325 1.191 1.00 0.00 C ATOM 605 CG LEU A 51 -0.267 -6.919 0.540 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.023 -5.780 1.495 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.666 -6.843 -0.613 1.00 0.00 C ATOM 0 H LEU A 51 0.241 -10.466 2.761 1.00 0.00 H new ATOM 0 HA LEU A 51 1.949 -8.601 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.472 -9.048 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.984 -8.363 1.951 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.294 -6.796 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.086 -4.834 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.775 -5.799 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.969 -5.881 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.611 -5.851 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.684 -7.031 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.389 -7.592 -1.355 1.00 0.00 H new ATOM 619 N PRO A 52 2.589 -7.868 3.620 1.00 0.00 N ATOM 620 CA PRO A 52 2.885 -7.087 4.834 1.00 0.00 C ATOM 621 C PRO A 52 2.302 -5.726 4.745 1.00 0.00 C ATOM 622 O PRO A 52 2.592 -5.022 3.814 1.00 0.00 O ATOM 623 CB PRO A 52 4.365 -6.907 4.806 1.00 0.00 C ATOM 624 CG PRO A 52 4.880 -7.989 3.962 1.00 0.00 C ATOM 625 CD PRO A 52 3.805 -8.347 2.982 1.00 0.00 C ATOM 0 HA PRO A 52 2.494 -7.586 5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.633 -5.932 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.785 -6.960 5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.783 -7.672 3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.149 -8.854 4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.967 -7.868 2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.767 -9.421 2.803 1.00 0.00 H new ATOM 633 N ILE A 53 1.589 -5.339 5.746 1.00 0.00 N ATOM 634 CA ILE A 53 0.835 -4.088 5.735 1.00 0.00 C ATOM 635 C ILE A 53 1.264 -3.237 6.922 1.00 0.00 C ATOM 636 O ILE A 53 0.833 -3.466 8.066 1.00 0.00 O ATOM 637 CB ILE A 53 -0.701 -4.395 5.799 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.049 -5.339 4.664 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.553 -3.122 5.697 1.00 0.00 C ATOM 640 CD1 ILE A 53 -2.448 -5.842 4.657 1.00 0.00 C ATOM 0 H ILE A 53 1.498 -5.871 6.612 1.00 0.00 H new ATOM 0 HA ILE A 53 1.037 -3.540 4.815 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.922 -4.850 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.860 -4.829 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.374 -6.194 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.609 -3.386 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.308 -2.453 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.348 -2.622 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.591 -6.508 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.643 -6.387 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.137 -5.001 4.579 1.00 0.00 H new ATOM 652 N LEU A 54 2.172 -2.325 6.678 1.00 0.00 N ATOM 653 CA LEU A 54 2.685 -1.472 7.737 1.00 0.00 C ATOM 654 C LEU A 54 2.430 -0.006 7.435 1.00 0.00 C ATOM 655 O LEU A 54 2.865 0.504 6.396 1.00 0.00 O ATOM 656 CB LEU A 54 4.213 -1.681 7.965 1.00 0.00 C ATOM 657 CG LEU A 54 4.716 -3.078 8.415 1.00 0.00 C ATOM 658 CD1 LEU A 54 3.959 -3.591 9.624 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.718 -4.093 7.277 1.00 0.00 C ATOM 0 H LEU A 54 2.575 -2.149 5.758 1.00 0.00 H new ATOM 0 HA LEU A 54 2.152 -1.756 8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.723 -1.430 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.538 -0.957 8.712 1.00 0.00 H new ATOM 0 HG LEU A 54 5.755 -2.947 8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.343 -4.571 9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.089 -2.898 10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.899 -3.673 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.079 -5.053 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.705 -4.210 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.372 -3.743 6.478 1.00 0.00 H new ATOM 671 N ILE A 55 1.728 0.665 8.331 1.00 0.00 N ATOM 672 CA ILE A 55 1.495 2.092 8.231 1.00 0.00 C ATOM 673 C ILE A 55 2.801 2.819 8.515 1.00 0.00 C ATOM 674 O ILE A 55 3.379 2.719 9.607 1.00 0.00 O ATOM 675 CB ILE A 55 0.350 2.604 9.208 1.00 0.00 C ATOM 676 CG1 ILE A 55 -1.072 2.336 8.651 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.503 4.095 9.559 1.00 0.00 C ATOM 678 CD1 ILE A 55 -1.412 3.159 7.430 1.00 0.00 C ATOM 0 H ILE A 55 1.303 0.232 9.151 1.00 0.00 H new ATOM 0 HA ILE A 55 1.148 2.307 7.220 1.00 0.00 H new ATOM 0 HB ILE A 55 0.470 2.023 10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.162 1.279 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.803 2.542 9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.303 4.396 10.228 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.462 4.256 10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.458 4.690 8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.422 2.917 7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.356 4.219 7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.704 2.935 6.632 1.00 0.00 H new ATOM 690 N ARG A 56 3.276 3.467 7.521 1.00 0.00 N ATOM 691 CA ARG A 56 4.483 4.253 7.572 1.00 0.00 C ATOM 692 C ARG A 56 4.162 5.691 7.322 1.00 0.00 C ATOM 693 O ARG A 56 3.028 6.042 6.971 1.00 0.00 O ATOM 694 CB ARG A 56 5.490 3.798 6.541 1.00 0.00 C ATOM 695 CG ARG A 56 6.025 2.393 6.735 1.00 0.00 C ATOM 696 CD ARG A 56 6.885 2.229 7.991 1.00 0.00 C ATOM 697 NE ARG A 56 6.114 2.143 9.232 1.00 0.00 N ATOM 698 CZ ARG A 56 6.631 2.269 10.454 1.00 0.00 C ATOM 699 NH1 ARG A 56 7.870 2.735 10.615 1.00 0.00 N ATOM 700 NH2 ARG A 56 5.896 1.962 11.512 1.00 0.00 N ATOM 0 H ARG A 56 2.829 3.475 6.604 1.00 0.00 H new ATOM 0 HA ARG A 56 4.916 4.123 8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.030 3.861 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.330 4.493 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.186 1.699 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.616 2.115 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.492 1.329 7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.573 3.071 8.060 1.00 0.00 H new ATOM 0 HE ARG A 56 5.111 1.975 9.156 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.426 2.997 9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.261 2.830 11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.939 1.631 11.389 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.287 2.057 12.449 1.00 0.00 H new ATOM 714 N GLU A 57 5.135 6.506 7.489 1.00 0.00 N ATOM 715 CA GLU A 57 4.984 7.910 7.333 1.00 0.00 C ATOM 716 C GLU A 57 5.497 8.330 5.940 1.00 0.00 C ATOM 717 O GLU A 57 6.231 7.579 5.272 1.00 0.00 O ATOM 718 CB GLU A 57 5.711 8.615 8.474 1.00 0.00 C ATOM 719 CG GLU A 57 5.407 10.080 8.619 1.00 0.00 C ATOM 720 CD GLU A 57 6.042 10.648 9.836 1.00 0.00 C ATOM 721 OE1 GLU A 57 5.454 10.540 10.930 1.00 0.00 O ATOM 722 OE2 GLU A 57 7.150 11.215 9.733 1.00 0.00 O ATOM 0 H GLU A 57 6.079 6.214 7.743 1.00 0.00 H new ATOM 0 HA GLU A 57 3.935 8.201 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.459 8.114 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.785 8.496 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.761 10.615 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.328 10.226 8.668 1.00 0.00 H new ATOM 729 N CYS A 58 5.092 9.488 5.515 1.00 0.00 N ATOM 730 CA CYS A 58 5.362 10.025 4.202 1.00 0.00 C ATOM 731 C CYS A 58 6.612 10.898 4.210 1.00 0.00 C ATOM 732 O CYS A 58 7.247 11.095 5.257 1.00 0.00 O ATOM 733 CB CYS A 58 4.182 10.887 3.829 1.00 0.00 C ATOM 734 SG CYS A 58 3.887 12.206 5.054 1.00 0.00 S ATOM 0 H CYS A 58 4.539 10.118 6.095 1.00 0.00 H new ATOM 0 HA CYS A 58 5.520 9.209 3.497 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.354 11.333 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.291 10.265 3.744 1.00 0.00 H new ATOM 739 N SER A 59 6.990 11.389 3.040 1.00 0.00 N ATOM 740 CA SER A 59 8.094 12.311 2.909 1.00 0.00 C ATOM 741 C SER A 59 7.865 13.289 1.729 1.00 0.00 C ATOM 742 O SER A 59 7.991 14.503 1.897 1.00 0.00 O ATOM 743 CB SER A 59 9.429 11.555 2.776 1.00 0.00 C ATOM 744 OG SER A 59 9.636 10.696 3.906 1.00 0.00 O ATOM 0 H SER A 59 6.536 11.156 2.157 1.00 0.00 H new ATOM 0 HA SER A 59 8.148 12.909 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.430 10.966 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.251 12.267 2.698 1.00 0.00 H new ATOM 0 HG SER A 59 10.488 10.222 3.805 1.00 0.00 H new ATOM 750 N ASP A 60 7.485 12.768 0.552 1.00 0.00 N ATOM 751 CA ASP A 60 7.275 13.645 -0.628 1.00 0.00 C ATOM 752 C ASP A 60 5.782 14.006 -0.917 1.00 0.00 C ATOM 753 O ASP A 60 5.222 14.847 -0.232 1.00 0.00 O ATOM 754 CB ASP A 60 7.994 13.099 -1.874 1.00 0.00 C ATOM 755 CG ASP A 60 7.883 13.994 -3.091 1.00 0.00 C ATOM 756 OD1 ASP A 60 8.633 14.977 -3.195 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.065 13.703 -3.963 1.00 0.00 O ATOM 0 H ASP A 60 7.319 11.775 0.386 1.00 0.00 H new ATOM 0 HA ASP A 60 7.736 14.596 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.048 12.953 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.583 12.119 -2.118 1.00 0.00 H new ATOM 762 N VAL A 61 5.143 13.331 -1.902 1.00 0.00 N ATOM 763 CA VAL A 61 3.740 13.643 -2.357 1.00 0.00 C ATOM 764 C VAL A 61 2.720 13.164 -1.356 1.00 0.00 C ATOM 765 O VAL A 61 1.542 13.540 -1.393 1.00 0.00 O ATOM 766 CB VAL A 61 3.469 12.951 -3.708 1.00 0.00 C ATOM 767 CG1 VAL A 61 3.136 11.459 -3.581 1.00 0.00 C ATOM 768 CG2 VAL A 61 2.495 13.708 -4.594 1.00 0.00 C ATOM 0 H VAL A 61 5.571 12.557 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 61 3.653 14.725 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 61 4.423 12.987 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.958 11.040 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.971 10.938 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.242 11.336 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.352 13.163 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.538 13.807 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.895 14.699 -4.810 1.00 0.00 H new ATOM 778 N GLN A 62 3.220 12.285 -0.545 1.00 0.00 N ATOM 779 CA GLN A 62 2.576 11.643 0.607 1.00 0.00 C ATOM 780 C GLN A 62 2.364 10.118 0.454 1.00 0.00 C ATOM 781 O GLN A 62 3.192 9.348 0.950 1.00 0.00 O ATOM 782 CB GLN A 62 1.320 12.343 1.156 1.00 0.00 C ATOM 783 CG GLN A 62 0.929 11.825 2.501 1.00 0.00 C ATOM 784 CD GLN A 62 -0.323 12.433 3.036 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.279 13.455 3.652 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.412 11.752 2.918 1.00 0.00 N ATOM 0 H GLN A 62 4.177 11.954 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 62 3.331 11.780 1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.503 13.416 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.493 12.202 0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.801 10.744 2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.742 12.011 3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.415 10.883 2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.271 12.083 3.358 1.00 0.00 H new ATOM 795 N PRO A 63 1.318 9.641 -0.294 1.00 0.00 N ATOM 796 CA PRO A 63 0.966 8.232 -0.297 1.00 0.00 C ATOM 797 C PRO A 63 1.775 7.403 -1.262 1.00 0.00 C ATOM 798 O PRO A 63 1.458 7.333 -2.433 1.00 0.00 O ATOM 799 CB PRO A 63 -0.485 8.224 -0.739 1.00 0.00 C ATOM 800 CG PRO A 63 -0.654 9.444 -1.589 1.00 0.00 C ATOM 801 CD PRO A 63 0.453 10.405 -1.226 1.00 0.00 C ATOM 0 HA PRO A 63 1.153 7.794 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.719 7.320 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.156 8.248 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.605 9.185 -2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.629 9.899 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.006 10.725 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.058 11.305 -0.754 1.00 0.00 H new ATOM 809 N LYS A 64 2.823 6.827 -0.796 1.00 0.00 N ATOM 810 CA LYS A 64 3.614 5.940 -1.618 1.00 0.00 C ATOM 811 C LYS A 64 3.415 4.536 -1.158 1.00 0.00 C ATOM 812 O LYS A 64 3.151 4.275 0.044 1.00 0.00 O ATOM 813 CB LYS A 64 5.117 6.222 -1.550 1.00 0.00 C ATOM 814 CG LYS A 64 5.677 7.443 -2.260 1.00 0.00 C ATOM 815 CD LYS A 64 5.264 8.765 -1.678 1.00 0.00 C ATOM 816 CE LYS A 64 6.398 9.772 -1.810 1.00 0.00 C ATOM 817 NZ LYS A 64 6.986 9.840 -3.167 1.00 0.00 N ATOM 0 H LYS A 64 3.168 6.946 0.157 1.00 0.00 H new ATOM 0 HA LYS A 64 3.279 6.100 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.388 6.302 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.633 5.347 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.765 7.383 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.367 7.411 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.377 9.136 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.997 8.642 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.027 10.760 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.182 9.517 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.984 9.549 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.465 9.204 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.923 10.815 -3.524 1.00 0.00 H new ATOM 831 N LEU A 65 3.569 3.655 -2.091 1.00 0.00 N ATOM 832 CA LEU A 65 3.472 2.265 -1.873 1.00 0.00 C ATOM 833 C LEU A 65 4.842 1.734 -1.783 1.00 0.00 C ATOM 834 O LEU A 65 5.509 1.613 -2.798 1.00 0.00 O ATOM 835 CB LEU A 65 2.829 1.640 -3.072 1.00 0.00 C ATOM 836 CG LEU A 65 2.340 0.197 -2.913 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.456 0.052 -1.683 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.592 -0.232 -4.161 1.00 0.00 C ATOM 0 H LEU A 65 3.773 3.902 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 65 2.897 2.056 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.980 2.258 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.542 1.669 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 65 3.206 -0.450 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.123 -0.982 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.022 0.329 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.589 0.706 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.246 -1.259 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.735 0.424 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.256 -0.170 -5.023 1.00 0.00 H new ATOM 850 N TRP A 66 5.308 1.495 -0.625 1.00 0.00 N ATOM 851 CA TRP A 66 6.592 0.925 -0.520 1.00 0.00 C ATOM 852 C TRP A 66 6.469 -0.579 -0.574 1.00 0.00 C ATOM 853 O TRP A 66 5.802 -1.179 0.256 1.00 0.00 O ATOM 854 CB TRP A 66 7.343 1.364 0.754 1.00 0.00 C ATOM 855 CG TRP A 66 8.532 0.491 1.043 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.625 -0.496 1.980 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.739 0.482 0.340 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.837 -1.104 1.916 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.552 -0.516 0.895 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.211 1.229 -0.704 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.822 -0.765 0.409 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.445 0.979 -1.184 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.237 0.008 -0.646 1.00 0.00 C ATOM 0 H TRP A 66 4.830 1.681 0.257 1.00 0.00 H new ATOM 0 HA TRP A 66 7.186 1.285 -1.360 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.672 2.397 0.642 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.660 1.337 1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.842 -0.758 2.677 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.161 -1.862 2.517 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.603 2.009 -1.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.455 -1.528 0.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.816 1.561 -2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.220 -0.157 -1.062 1.00 0.00 H new ATOM 874 N ALA A 67 7.095 -1.152 -1.530 1.00 0.00 N ATOM 875 CA ALA A 67 7.117 -2.553 -1.691 1.00 0.00 C ATOM 876 C ALA A 67 8.541 -3.029 -1.700 1.00 0.00 C ATOM 877 O ALA A 67 9.425 -2.372 -2.272 1.00 0.00 O ATOM 878 CB ALA A 67 6.433 -2.950 -2.983 1.00 0.00 C ATOM 0 H ALA A 67 7.621 -0.645 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 67 6.581 -3.014 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.460 -4.034 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.397 -2.612 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.950 -2.489 -3.825 1.00 0.00 H new ATOM 884 N ARG A 68 8.762 -4.133 -1.062 1.00 0.00 N ATOM 885 CA ARG A 68 9.987 -4.779 -1.044 1.00 0.00 C ATOM 886 C ARG A 68 9.617 -6.234 -1.170 1.00 0.00 C ATOM 887 O ARG A 68 9.138 -6.885 -0.235 1.00 0.00 O ATOM 888 CB ARG A 68 10.761 -4.519 0.236 1.00 0.00 C ATOM 889 CG ARG A 68 12.200 -4.896 0.090 1.00 0.00 C ATOM 890 CD ARG A 68 12.975 -3.841 -0.684 1.00 0.00 C ATOM 891 NE ARG A 68 14.144 -4.416 -1.341 1.00 0.00 N ATOM 892 CZ ARG A 68 15.199 -3.731 -1.760 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.346 -2.449 -1.415 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.117 -4.334 -2.497 1.00 0.00 N ATOM 0 H ARG A 68 8.043 -4.613 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 68 10.647 -4.430 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.685 -3.464 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.316 -5.086 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.645 -5.026 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.276 -5.855 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.325 -3.383 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.290 -3.048 -0.006 1.00 0.00 H new ATOM 0 HE ARG A 68 14.150 -5.425 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.646 -1.995 -0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.158 -1.924 -1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.010 -5.319 -2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.932 -3.814 -2.823 1.00 0.00 H new ATOM 908 N TYR A 69 9.696 -6.672 -2.346 1.00 0.00 N ATOM 909 CA TYR A 69 9.245 -8.002 -2.722 1.00 0.00 C ATOM 910 C TYR A 69 10.253 -9.078 -2.310 1.00 0.00 C ATOM 911 O TYR A 69 11.382 -8.774 -1.960 1.00 0.00 O ATOM 912 CB TYR A 69 9.082 -8.116 -4.241 1.00 0.00 C ATOM 913 CG TYR A 69 8.445 -6.951 -4.969 1.00 0.00 C ATOM 914 CD1 TYR A 69 7.081 -6.766 -4.997 1.00 0.00 C ATOM 915 CD2 TYR A 69 9.235 -6.055 -5.670 1.00 0.00 C ATOM 916 CE1 TYR A 69 6.527 -5.726 -5.702 1.00 0.00 C ATOM 917 CE2 TYR A 69 8.690 -5.008 -6.370 1.00 0.00 C ATOM 918 CZ TYR A 69 7.334 -4.848 -6.386 1.00 0.00 C ATOM 919 OH TYR A 69 6.780 -3.812 -7.101 1.00 0.00 O ATOM 0 H TYR A 69 10.080 -6.132 -3.121 1.00 0.00 H new ATOM 0 HA TYR A 69 8.294 -8.154 -2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.069 -8.282 -4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.489 -9.006 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.439 -7.447 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.307 -6.184 -5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.455 -5.597 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.327 -4.318 -6.903 1.00 0.00 H new ATOM 0 HH TYR A 69 7.493 -3.288 -7.522 1.00 0.00 H new ATOM 929 N ALA A 70 9.838 -10.351 -2.413 1.00 0.00 N ATOM 930 CA ALA A 70 10.753 -11.494 -2.212 1.00 0.00 C ATOM 931 C ALA A 70 11.421 -11.827 -3.523 1.00 0.00 C ATOM 932 O ALA A 70 12.247 -12.737 -3.628 1.00 0.00 O ATOM 933 CB ALA A 70 10.038 -12.696 -1.627 1.00 0.00 C ATOM 0 H ALA A 70 8.878 -10.618 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 70 11.514 -11.212 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.747 -13.513 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.609 -12.429 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.243 -13.011 -2.303 1.00 0.00 H new ATOM 939 N PHE A 71 11.045 -11.072 -4.537 1.00 0.00 N ATOM 940 CA PHE A 71 11.789 -11.035 -5.765 1.00 0.00 C ATOM 941 C PHE A 71 13.058 -10.246 -5.435 1.00 0.00 C ATOM 942 O PHE A 71 14.059 -10.300 -6.128 1.00 0.00 O ATOM 943 CB PHE A 71 10.996 -10.324 -6.857 1.00 0.00 C ATOM 944 CG PHE A 71 9.650 -10.937 -7.161 1.00 0.00 C ATOM 945 CD1 PHE A 71 9.540 -12.004 -8.024 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.496 -10.436 -6.583 1.00 0.00 C ATOM 947 CE1 PHE A 71 8.309 -12.557 -8.305 1.00 0.00 C ATOM 948 CE2 PHE A 71 7.266 -10.985 -6.859 1.00 0.00 C ATOM 949 CZ PHE A 71 7.172 -12.047 -7.722 1.00 0.00 C ATOM 0 H PHE A 71 10.219 -10.473 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 71 12.007 -12.036 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.848 -9.285 -6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.590 -10.314 -7.771 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.427 -12.412 -8.486 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.563 -9.599 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.237 -13.393 -8.985 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.377 -10.581 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.208 -12.482 -7.943 1.00 0.00 H new ATOM 959 N GLY A 72 12.955 -9.505 -4.322 1.00 0.00 N ATOM 960 CA GLY A 72 14.041 -8.788 -3.744 1.00 0.00 C ATOM 961 C GLY A 72 14.195 -7.403 -4.308 1.00 0.00 C ATOM 962 O GLY A 72 15.126 -6.671 -3.944 1.00 0.00 O ATOM 0 H GLY A 72 12.082 -9.402 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.893 -8.721 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.964 -9.345 -3.905 1.00 0.00 H new ATOM 966 N GLN A 73 13.278 -7.035 -5.181 1.00 0.00 N ATOM 967 CA GLN A 73 13.243 -5.710 -5.765 1.00 0.00 C ATOM 968 C GLN A 73 12.392 -4.810 -4.886 1.00 0.00 C ATOM 969 O GLN A 73 11.696 -5.300 -3.961 1.00 0.00 O ATOM 970 CB GLN A 73 12.658 -5.759 -7.181 1.00 0.00 C ATOM 971 CG GLN A 73 13.421 -6.653 -8.138 1.00 0.00 C ATOM 972 CD GLN A 73 12.826 -6.649 -9.527 1.00 0.00 C ATOM 973 OE1 GLN A 73 12.253 -5.655 -9.973 1.00 0.00 O ATOM 974 NE2 GLN A 73 12.934 -7.742 -10.218 1.00 0.00 N ATOM 0 H GLN A 73 12.533 -7.651 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 73 14.258 -5.318 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.626 -6.104 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.634 -4.748 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.459 -6.324 -8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.428 -7.672 -7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.414 -8.550 -9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.538 -7.793 -11.157 1.00 0.00 H new ATOM 983 N GLU A 74 12.427 -3.535 -5.138 1.00 0.00 N ATOM 984 CA GLU A 74 11.670 -2.604 -4.359 1.00 0.00 C ATOM 985 C GLU A 74 10.898 -1.659 -5.259 1.00 0.00 C ATOM 986 O GLU A 74 11.075 -1.667 -6.473 1.00 0.00 O ATOM 987 CB GLU A 74 12.590 -1.781 -3.444 1.00 0.00 C ATOM 988 CG GLU A 74 13.483 -0.748 -4.145 1.00 0.00 C ATOM 989 CD GLU A 74 14.588 -1.339 -5.005 1.00 0.00 C ATOM 990 OE1 GLU A 74 14.316 -1.777 -6.138 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.758 -1.335 -4.570 1.00 0.00 O ATOM 0 H GLU A 74 12.978 -3.114 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 74 10.973 -3.177 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.972 -1.261 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.229 -2.469 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.856 -0.112 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.935 -0.106 -3.389 1.00 0.00 H new ATOM 998 N THR A 75 10.052 -0.872 -4.663 1.00 0.00 N ATOM 999 CA THR A 75 9.354 0.170 -5.338 1.00 0.00 C ATOM 1000 C THR A 75 8.704 0.991 -4.244 1.00 0.00 C ATOM 1001 O THR A 75 8.379 0.462 -3.199 1.00 0.00 O ATOM 1002 CB THR A 75 8.290 -0.375 -6.383 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.917 0.654 -7.329 1.00 0.00 O ATOM 1004 CG2 THR A 75 7.027 -0.874 -5.702 1.00 0.00 C ATOM 0 H THR A 75 9.826 -0.942 -3.671 1.00 0.00 H new ATOM 0 HA THR A 75 10.037 0.767 -5.942 1.00 0.00 H new ATOM 0 HB THR A 75 8.770 -1.206 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.262 0.294 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.327 -1.237 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.278 -1.685 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.568 -0.058 -5.144 1.00 0.00 H new ATOM 1012 N ASN A 76 8.624 2.250 -4.429 1.00 0.00 N ATOM 1013 CA ASN A 76 8.015 3.142 -3.459 1.00 0.00 C ATOM 1014 C ASN A 76 7.177 4.148 -4.206 1.00 0.00 C ATOM 1015 O ASN A 76 7.712 5.099 -4.782 1.00 0.00 O ATOM 1016 CB ASN A 76 9.095 3.796 -2.534 1.00 0.00 C ATOM 1017 CG ASN A 76 10.407 4.173 -3.251 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.525 5.251 -3.812 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.439 3.300 -3.182 1.00 0.00 N ATOM 0 H ASN A 76 8.977 2.721 -5.262 1.00 0.00 H new ATOM 0 HA ASN A 76 7.363 2.587 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.672 4.693 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.325 3.107 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.337 3.537 -3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.319 2.405 -2.708 1.00 0.00 H new ATOM 1026 N VAL A 77 5.846 3.931 -4.265 1.00 0.00 N ATOM 1027 CA VAL A 77 5.097 4.746 -5.234 1.00 0.00 C ATOM 1028 C VAL A 77 3.726 5.302 -4.916 1.00 0.00 C ATOM 1029 O VAL A 77 2.842 4.609 -4.466 1.00 0.00 O ATOM 1030 CB VAL A 77 5.163 4.115 -6.604 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.819 2.627 -6.559 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.370 4.838 -7.693 1.00 0.00 C ATOM 0 H VAL A 77 5.311 3.264 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 77 5.646 5.686 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 77 6.206 4.225 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.878 2.209 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.525 2.110 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.808 2.499 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.482 4.307 -8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.316 4.868 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.746 5.855 -7.802 1.00 0.00 H new ATOM 1042 N PRO A 78 3.614 6.627 -5.155 1.00 0.00 N ATOM 1043 CA PRO A 78 2.393 7.419 -5.086 1.00 0.00 C ATOM 1044 C PRO A 78 1.205 6.694 -5.661 1.00 0.00 C ATOM 1045 O PRO A 78 1.087 6.494 -6.878 1.00 0.00 O ATOM 1046 CB PRO A 78 2.738 8.647 -5.915 1.00 0.00 C ATOM 1047 CG PRO A 78 4.193 8.827 -5.671 1.00 0.00 C ATOM 1048 CD PRO A 78 4.755 7.445 -5.515 1.00 0.00 C ATOM 0 HA PRO A 78 2.103 7.648 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.524 8.492 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.166 9.519 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.667 9.350 -6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.369 9.424 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.216 7.098 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.524 7.414 -4.744 1.00 0.00 H new ATOM 1056 N LEU A 79 0.343 6.305 -4.783 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.802 5.528 -5.119 1.00 0.00 C ATOM 1058 C LEU A 79 -2.068 6.358 -4.961 1.00 0.00 C ATOM 1059 O LEU A 79 -3.184 5.856 -4.863 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.779 4.198 -4.325 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.635 4.192 -2.782 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.715 4.977 -2.092 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.697 2.757 -2.305 1.00 0.00 C ATOM 0 H LEU A 79 0.417 6.523 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.786 5.241 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.702 3.669 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.041 3.602 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 79 0.316 4.663 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.562 4.937 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.680 6.014 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.688 4.550 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.597 2.730 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.653 2.319 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.114 2.188 -2.758 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.843 7.651 -5.027 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.859 8.698 -4.877 1.00 0.00 C ATOM 1077 C ASN A 80 -4.057 8.588 -5.839 1.00 0.00 C ATOM 1078 O ASN A 80 -5.161 9.046 -5.528 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.183 10.098 -4.955 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.079 11.201 -5.521 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.110 11.435 -6.722 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -3.780 11.873 -4.677 1.00 0.00 N ATOM 0 H ASN A 80 -0.911 8.030 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.302 8.553 -3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.858 10.387 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.287 10.022 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.385 12.627 -5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.731 11.652 -3.682 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.868 7.948 -6.928 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.891 7.930 -7.978 1.00 0.00 C ATOM 1091 C ASN A 81 -5.775 6.685 -7.959 1.00 0.00 C ATOM 1092 O ASN A 81 -6.542 6.462 -8.899 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.258 8.094 -9.369 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.517 9.409 -9.548 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.103 10.418 -9.952 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.235 9.405 -9.278 1.00 0.00 N ATOM 0 H ASN A 81 -3.023 7.419 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.539 8.780 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.566 7.270 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.039 8.021 -10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.686 10.256 -9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.786 8.551 -8.946 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.721 5.902 -6.909 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.534 4.714 -6.829 1.00 0.00 C ATOM 1105 C PHE A 82 -7.445 4.834 -5.631 1.00 0.00 C ATOM 1106 O PHE A 82 -7.233 5.682 -4.768 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.679 3.451 -6.676 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.645 3.204 -7.740 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -3.376 3.752 -7.632 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -4.930 2.397 -8.825 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -2.416 3.503 -8.589 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -3.974 2.147 -9.787 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.715 2.699 -9.668 1.00 0.00 C ATOM 0 H PHE A 82 -5.123 6.066 -6.099 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.106 4.626 -7.753 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.172 3.498 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.346 2.590 -6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.137 4.382 -6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.912 1.957 -8.921 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.432 3.937 -8.494 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.211 1.519 -10.633 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.965 2.501 -10.419 1.00 0.00 H new ATOM 1123 N SER A 83 -8.441 4.009 -5.587 1.00 0.00 N ATOM 1124 CA SER A 83 -9.383 3.989 -4.488 1.00 0.00 C ATOM 1125 C SER A 83 -9.038 2.807 -3.550 1.00 0.00 C ATOM 1126 O SER A 83 -8.097 2.079 -3.828 1.00 0.00 O ATOM 1127 CB SER A 83 -10.811 3.900 -5.041 1.00 0.00 C ATOM 1128 OG SER A 83 -11.799 4.142 -4.036 1.00 0.00 O ATOM 0 H SER A 83 -8.635 3.320 -6.314 1.00 0.00 H new ATOM 0 HA SER A 83 -9.318 4.907 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.932 4.623 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.970 2.912 -5.473 1.00 0.00 H new ATOM 0 HG SER A 83 -12.692 4.077 -4.433 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.816 2.623 -2.468 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.540 1.614 -1.420 1.00 0.00 C ATOM 1136 C ALA A 84 -9.338 0.194 -1.988 1.00 0.00 C ATOM 1137 O ALA A 84 -8.230 -0.429 -1.923 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.719 1.548 -0.480 1.00 0.00 C ATOM 0 H ALA A 84 -10.658 3.171 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.621 1.925 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.525 0.807 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.872 2.524 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.613 1.265 -1.036 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.405 -0.307 -2.565 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.446 -1.644 -3.110 1.00 0.00 C ATOM 1146 C ASP A 85 -9.446 -1.763 -4.248 1.00 0.00 C ATOM 1147 O ASP A 85 -8.697 -2.755 -4.339 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.874 -2.001 -3.567 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.898 -2.098 -2.418 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.080 -1.112 -1.645 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.577 -3.147 -2.291 1.00 0.00 O ATOM 0 H ASP A 85 -11.279 0.208 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.168 -2.358 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.214 -1.250 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.847 -2.953 -4.096 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.381 -0.728 -5.073 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.434 -0.679 -6.173 1.00 0.00 C ATOM 1158 C GLN A 86 -7.002 -0.709 -5.761 1.00 0.00 C ATOM 1159 O GLN A 86 -6.267 -1.471 -6.348 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.722 0.420 -7.184 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.837 0.056 -8.146 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.502 -1.189 -8.944 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -10.386 -1.959 -9.316 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -8.235 -1.378 -9.232 1.00 0.00 N ATOM 0 H GLN A 86 -9.979 0.095 -4.998 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.602 -1.622 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.990 1.334 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.815 0.634 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.760 -0.105 -7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.017 0.888 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.533 -0.715 -8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.953 -2.188 -9.784 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.585 0.082 -4.764 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.209 -0.027 -4.310 1.00 0.00 C ATOM 1175 C VAL A 87 -4.943 -1.437 -3.858 1.00 0.00 C ATOM 1176 O VAL A 87 -4.026 -2.029 -4.316 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.737 1.005 -3.210 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.671 2.410 -3.724 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.579 0.968 -2.003 1.00 0.00 C ATOM 0 H VAL A 87 -7.158 0.773 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.609 0.239 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.729 0.688 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.341 3.074 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.965 2.461 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.658 2.718 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.211 1.696 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.608 1.210 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.543 -0.029 -1.564 1.00 0.00 H new ATOM 1189 N THR A 88 -5.835 -2.026 -3.062 1.00 0.00 N ATOM 1190 CA THR A 88 -5.563 -3.380 -2.554 1.00 0.00 C ATOM 1191 C THR A 88 -5.420 -4.476 -3.626 1.00 0.00 C ATOM 1192 O THR A 88 -4.479 -5.310 -3.596 1.00 0.00 O ATOM 1193 CB THR A 88 -6.530 -3.790 -1.453 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.890 -3.710 -1.905 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.357 -2.867 -0.305 1.00 0.00 C ATOM 0 H THR A 88 -6.718 -1.613 -2.762 1.00 0.00 H new ATOM 0 HA THR A 88 -4.567 -3.296 -2.119 1.00 0.00 H new ATOM 0 HB THR A 88 -6.318 -4.820 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.909 -3.377 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.044 -3.147 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.332 -2.928 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.568 -1.846 -0.624 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.283 -4.438 -4.568 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.300 -5.440 -5.625 1.00 0.00 C ATOM 1205 C ARG A 89 -5.191 -5.148 -6.623 1.00 0.00 C ATOM 1206 O ARG A 89 -4.532 -6.078 -7.108 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.683 -5.488 -6.299 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.855 -6.541 -7.392 1.00 0.00 C ATOM 1209 CD ARG A 89 -7.699 -7.958 -6.856 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.945 -8.963 -7.899 1.00 0.00 N ATOM 1211 CZ ARG A 89 -7.522 -10.232 -7.873 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -6.824 -10.685 -6.831 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -7.809 -11.053 -8.886 1.00 0.00 N ATOM 0 H ARG A 89 -7.006 -3.724 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.117 -6.426 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.435 -5.664 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.891 -4.508 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.840 -6.433 -7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.120 -6.369 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.693 -8.087 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.393 -8.113 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.485 -8.668 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.611 -10.063 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.503 -11.653 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.351 -10.713 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.486 -12.020 -8.866 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.967 -3.872 -6.912 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.852 -3.485 -7.771 1.00 0.00 C ATOM 1229 C ALA A 90 -2.556 -3.819 -7.086 1.00 0.00 C ATOM 1230 O ALA A 90 -1.645 -4.252 -7.747 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.895 -2.013 -8.158 1.00 0.00 C ATOM 0 H ALA A 90 -5.534 -3.096 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.934 -4.049 -8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.043 -1.780 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.820 -1.805 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.853 -1.399 -7.258 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.491 -3.626 -5.736 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.331 -4.060 -4.937 1.00 0.00 C ATOM 1239 C LEU A 91 -1.034 -5.473 -5.250 1.00 0.00 C ATOM 1240 O LEU A 91 0.005 -5.780 -5.772 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.535 -3.981 -3.380 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.925 -2.782 -2.616 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.460 -1.455 -3.083 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.140 -2.948 -1.123 1.00 0.00 C ATOM 0 H LEU A 91 -3.227 -3.176 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.527 -3.373 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.607 -3.987 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.127 -4.893 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 91 0.143 -2.779 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.995 -0.653 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.234 -1.323 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.540 -1.426 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.706 -2.098 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.208 -2.999 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.660 -3.867 -0.786 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.997 -6.322 -5.018 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.767 -7.756 -5.139 1.00 0.00 C ATOM 1258 C GLU A 92 -1.370 -8.109 -6.566 1.00 0.00 C ATOM 1259 O GLU A 92 -0.439 -8.888 -6.776 1.00 0.00 O ATOM 1260 CB GLU A 92 -2.995 -8.512 -4.597 1.00 0.00 C ATOM 1261 CG GLU A 92 -2.759 -9.917 -4.013 1.00 0.00 C ATOM 1262 CD GLU A 92 -2.705 -11.038 -5.016 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -1.629 -11.364 -5.512 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -3.743 -11.654 -5.284 1.00 0.00 O ATOM 0 H GLU A 92 -2.945 -6.060 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.922 -8.074 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.454 -7.898 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.720 -8.600 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.822 -9.907 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.553 -10.132 -3.298 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.009 -7.477 -7.507 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.656 -7.603 -8.908 1.00 0.00 C ATOM 1273 C ASN A 93 -0.177 -7.257 -9.121 1.00 0.00 C ATOM 1274 O ASN A 93 0.679 -8.167 -9.413 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.556 -6.678 -9.746 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.769 -7.373 -10.306 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.726 -7.931 -11.399 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.855 -7.347 -9.587 1.00 0.00 N ATOM 0 H ASN A 93 -2.797 -6.853 -7.332 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.809 -8.634 -9.227 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.879 -5.840 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.973 -6.262 -10.568 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.703 -7.799 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.857 -6.875 -8.683 1.00 0.00 H new ATOM 1285 N VAL A 94 0.146 -5.990 -8.849 1.00 0.00 N ATOM 1286 CA VAL A 94 1.463 -5.457 -9.065 1.00 0.00 C ATOM 1287 C VAL A 94 2.548 -6.171 -8.368 1.00 0.00 C ATOM 1288 O VAL A 94 3.601 -6.421 -8.956 1.00 0.00 O ATOM 1289 CB VAL A 94 1.639 -3.953 -8.807 1.00 0.00 C ATOM 1290 CG1 VAL A 94 0.948 -3.111 -9.861 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.233 -3.509 -7.410 1.00 0.00 C ATOM 0 H VAL A 94 -0.516 -5.312 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 94 1.552 -5.625 -10.138 1.00 0.00 H new ATOM 0 HB VAL A 94 2.713 -3.784 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.099 -2.055 -9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.367 -3.339 -10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.119 -3.333 -9.862 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.388 -2.435 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.181 -3.741 -7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.839 -4.033 -6.671 1.00 0.00 H new ATOM 1301 N LEU A 95 2.329 -6.526 -7.168 1.00 0.00 N ATOM 1302 CA LEU A 95 3.429 -7.035 -6.431 1.00 0.00 C ATOM 1303 C LEU A 95 3.575 -8.501 -6.429 1.00 0.00 C ATOM 1304 O LEU A 95 4.697 -8.996 -6.330 1.00 0.00 O ATOM 1305 CB LEU A 95 3.517 -6.409 -5.067 1.00 0.00 C ATOM 1306 CG LEU A 95 2.255 -6.430 -4.256 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.921 -7.782 -3.646 1.00 0.00 C ATOM 1308 CD2 LEU A 95 2.200 -5.303 -3.272 1.00 0.00 C ATOM 0 H LEU A 95 1.435 -6.481 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 95 4.312 -6.721 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.297 -6.920 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.834 -5.373 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 95 1.449 -6.261 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.994 -7.706 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.800 -8.519 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.729 -8.092 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.269 -5.358 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.045 -5.376 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.246 -4.353 -3.804 1.00 0.00 H new ATOM 1320 N SER A 96 2.506 -9.209 -6.527 1.00 0.00 N ATOM 1321 CA SER A 96 2.649 -10.612 -6.531 1.00 0.00 C ATOM 1322 C SER A 96 3.151 -11.073 -7.892 1.00 0.00 C ATOM 1323 O SER A 96 3.801 -12.131 -7.989 1.00 0.00 O ATOM 1324 CB SER A 96 1.364 -11.300 -6.175 1.00 0.00 C ATOM 1325 OG SER A 96 0.845 -10.812 -4.940 1.00 0.00 O ATOM 0 H SER A 96 1.554 -8.851 -6.603 1.00 0.00 H new ATOM 0 HA SER A 96 3.380 -10.884 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.632 -11.143 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.531 -12.375 -6.103 1.00 0.00 H new ATOM 0 HG SER A 96 -0.120 -10.667 -5.025 1.00 0.00 H new ATOM 1331 N GLY A 97 2.850 -10.307 -8.966 1.00 0.00 N ATOM 1332 CA GLY A 97 3.398 -10.722 -10.220 1.00 0.00 C ATOM 1333 C GLY A 97 3.338 -9.706 -11.313 1.00 0.00 C ATOM 1334 O GLY A 97 3.166 -10.082 -12.479 1.00 0.00 O ATOM 0 H GLY A 97 2.273 -9.466 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.439 -11.005 -10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.870 -11.617 -10.550 1.00 0.00 H new ATOM 1338 N LYS A 98 3.410 -8.426 -11.004 1.00 0.00 N ATOM 1339 CA LYS A 98 3.428 -7.482 -12.111 1.00 0.00 C ATOM 1340 C LYS A 98 4.822 -7.048 -12.351 1.00 0.00 C ATOM 1341 O LYS A 98 5.442 -7.331 -13.375 1.00 0.00 O ATOM 1342 CB LYS A 98 2.483 -6.299 -11.885 1.00 0.00 C ATOM 1343 CG LYS A 98 2.151 -5.433 -13.106 1.00 0.00 C ATOM 1344 CD LYS A 98 3.295 -4.535 -13.556 1.00 0.00 C ATOM 1345 CE LYS A 98 2.933 -3.803 -14.838 1.00 0.00 C ATOM 1346 NZ LYS A 98 2.705 -4.744 -15.964 1.00 0.00 N ATOM 0 H LYS A 98 3.454 -8.031 -10.064 1.00 0.00 H new ATOM 0 HA LYS A 98 3.054 -7.982 -13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.548 -6.685 -11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.921 -5.656 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.866 -6.083 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.285 -4.813 -12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.527 -3.813 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.192 -5.133 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.035 -3.207 -14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.733 -3.110 -15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.780 -4.231 -16.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.419 -5.500 -15.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.756 -5.161 -15.881 1.00 0.00 H new ATOM 1360 N ALA A 99 5.293 -6.402 -11.379 1.00 0.00 N ATOM 1361 CA ALA A 99 6.574 -5.777 -11.388 1.00 0.00 C ATOM 1362 C ALA A 99 7.628 -6.720 -10.838 1.00 0.00 C ATOM 1363 O ALA A 99 7.844 -6.741 -9.613 1.00 0.00 O ATOM 1364 CB ALA A 99 6.500 -4.495 -10.583 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.241 -7.463 -11.627 1.00 0.00 O ATOM 0 H ALA A 99 4.788 -6.276 -10.502 1.00 0.00 H new ATOM 0 HA ALA A 99 6.862 -5.534 -12.411 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.475 -4.008 -10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.762 -3.828 -11.028 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.210 -4.725 -9.558 1.00 0.00 H new