USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 737 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 74 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -8.26! C(o=-8.3!,f=-9.1!) USER MOD Set 2.1: A 80 GLN : amide:sc= 0.635 K(o=1.3,f=-1.6!) USER MOD Set 2.2: A 81 GLN : amide:sc= 0.707 K(o=1.3,f=-0.041) USER MOD Set 3.1: A 45 SER OG : rot 31:sc= 0.292 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -107:sc= 0.47 (180deg=-0.507) USER MOD Set 4.1: A 20 LYS NZ :NH3+ -130:sc= 0.779 (180deg=-0.0148) USER MOD Set 4.2: A 59 HIS : no HE2:sc= 0.614 K(o=1.4,f=-3.9!) USER MOD Set 4.3: A 61 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Set 5.1: A 18 SER OG : rot -170:sc= -0.0977 USER MOD Set 5.2: A 63 LYS NZ :NH3+ -170:sc= -0.861 (180deg=-1.18) USER MOD Single : A 1 ALA N :NH3+ -124:sc= 0.119 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -109:sc= -2.32 (180deg=-6.87!) USER MOD Single : A 17 ASN : amide:sc= 0.322 K(o=0.32,f=-3.8!) USER MOD Single : A 22 ASN : amide:sc= 0.44 K(o=0.44,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= 0.259 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -5.96 K(o=-6,f=-7.9!) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00388 USER MOD Single : A 35 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 36 TYR OH : rot 60:sc= -0.365 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 88:sc= -0.979 USER MOD Single : A 55 SER OG : rot 180:sc= -0.168 USER MOD Single : A 57 SER OG : rot 130:sc= 0.0225 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= 0.907 F(o=-0.25,f=0.91) USER MOD Single : A 71 TYR OH : rot -55:sc= -0.126 USER MOD Single : A 79 ASN : amide:sc= -6.05! C(o=-6.1!,f=-9.6!) USER MOD Single : A 83 LYS NZ :NH3+ -152:sc= -0.108 (180deg=-0.641) USER MOD Single : A 84 SER OG : rot 174:sc= 0.131 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -174:sc= 1.5 USER MOD Single : A 94 SER OG : rot 85:sc= 0.0155 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.119 F(o=-0.91,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.518 20.857 10.890 1.00 0.00 N ATOM 2 CA ALA A 1 3.891 19.506 10.955 1.00 0.00 C ATOM 3 C ALA A 1 3.894 18.862 9.565 1.00 0.00 C ATOM 4 O ALA A 1 4.268 19.481 8.589 1.00 0.00 O ATOM 5 CB ALA A 1 2.446 19.625 11.446 1.00 0.00 C ATOM 0 H1 ALA A 1 5.306 20.907 11.567 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.876 21.028 9.929 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.810 21.580 11.129 1.00 0.00 H new ATOM 0 HA ALA A 1 4.463 18.888 11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.994 18.634 11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.435 20.074 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.878 20.252 10.758 1.00 0.00 H new ATOM 13 N GLY A 2 3.470 17.627 9.514 1.00 0.00 N ATOM 14 CA GLY A 2 3.424 16.907 8.208 1.00 0.00 C ATOM 15 C GLY A 2 1.988 16.484 7.880 1.00 0.00 C ATOM 16 O GLY A 2 1.089 16.643 8.682 1.00 0.00 O ATOM 0 H GLY A 2 3.154 17.086 10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.810 17.550 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.068 16.029 8.247 1.00 0.00 H new ATOM 20 N PRO A 3 1.817 15.955 6.697 1.00 0.00 N ATOM 21 CA PRO A 3 0.493 15.491 6.214 1.00 0.00 C ATOM 22 C PRO A 3 -0.114 14.398 7.094 1.00 0.00 C ATOM 23 O PRO A 3 0.520 13.877 7.991 1.00 0.00 O ATOM 24 CB PRO A 3 0.776 14.882 4.831 1.00 0.00 C ATOM 25 CG PRO A 3 2.256 15.160 4.486 1.00 0.00 C ATOM 26 CD PRO A 3 2.919 15.797 5.715 1.00 0.00 C ATOM 0 HA PRO A 3 -0.213 16.321 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.581 13.810 4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.120 15.320 4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.764 14.234 4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.328 15.826 3.626 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.713 15.163 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.371 16.758 5.468 1.00 0.00 H new ATOM 34 N SER A 4 -1.342 14.078 6.789 1.00 0.00 N ATOM 35 CA SER A 4 -2.000 12.916 7.451 1.00 0.00 C ATOM 36 C SER A 4 -1.808 11.679 6.570 1.00 0.00 C ATOM 37 O SER A 4 -1.550 11.796 5.388 1.00 0.00 O ATOM 38 CB SER A 4 -3.496 13.216 7.578 1.00 0.00 C ATOM 39 OG SER A 4 -3.536 14.391 8.375 1.00 0.00 O ATOM 0 H SER A 4 -1.919 14.572 6.108 1.00 0.00 H new ATOM 0 HA SER A 4 -1.569 12.740 8.436 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.956 13.377 6.603 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.031 12.393 8.051 1.00 0.00 H new ATOM 0 HG SER A 4 -4.468 14.663 8.510 1.00 0.00 H new ATOM 45 N ALA A 5 -1.945 10.523 7.161 1.00 0.00 N ATOM 46 CA ALA A 5 -1.723 9.272 6.379 1.00 0.00 C ATOM 47 C ALA A 5 -2.739 9.197 5.235 1.00 0.00 C ATOM 48 O ALA A 5 -3.858 9.650 5.376 1.00 0.00 O ATOM 49 CB ALA A 5 -1.924 8.079 7.318 1.00 0.00 C ATOM 0 H ALA A 5 -2.198 10.390 8.140 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.716 9.261 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.767 7.152 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.210 8.139 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.938 8.096 7.716 1.00 0.00 H new ATOM 55 N PRO A 6 -2.331 8.627 4.130 1.00 0.00 N ATOM 56 CA PRO A 6 -3.210 8.531 2.939 1.00 0.00 C ATOM 57 C PRO A 6 -4.371 7.572 3.202 1.00 0.00 C ATOM 58 O PRO A 6 -4.387 6.861 4.185 1.00 0.00 O ATOM 59 CB PRO A 6 -2.306 7.951 1.839 1.00 0.00 C ATOM 60 CG PRO A 6 -1.013 7.443 2.524 1.00 0.00 C ATOM 61 CD PRO A 6 -0.988 8.020 3.952 1.00 0.00 C ATOM 0 HA PRO A 6 -3.642 9.496 2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.810 7.137 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.072 8.711 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.996 6.353 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.133 7.762 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.803 7.241 4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.198 8.762 4.067 1.00 0.00 H new ATOM 69 N LYS A 7 -5.322 7.585 2.308 1.00 0.00 N ATOM 70 CA LYS A 7 -6.436 6.599 2.397 1.00 0.00 C ATOM 71 C LYS A 7 -6.202 5.528 1.334 1.00 0.00 C ATOM 72 O LYS A 7 -5.938 5.845 0.191 1.00 0.00 O ATOM 73 CB LYS A 7 -7.758 7.321 2.112 1.00 0.00 C ATOM 74 CG LYS A 7 -8.243 8.006 3.396 1.00 0.00 C ATOM 75 CD LYS A 7 -9.643 8.584 3.155 1.00 0.00 C ATOM 76 CE LYS A 7 -9.548 9.743 2.156 1.00 0.00 C ATOM 77 NZ LYS A 7 -10.892 10.361 1.969 1.00 0.00 N ATOM 0 H LYS A 7 -5.376 8.233 1.522 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.476 6.146 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.621 8.059 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.506 6.611 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.267 7.291 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.553 8.799 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.307 7.810 2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.072 8.933 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.841 10.490 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.168 9.381 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.822 11.146 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.555 9.647 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.238 10.721 2.881 1.00 0.00 H new ATOM 91 N LEU A 8 -6.286 4.288 1.729 1.00 0.00 N ATOM 92 CA LEU A 8 -5.980 3.201 0.759 1.00 0.00 C ATOM 93 C LEU A 8 -7.269 2.513 0.305 1.00 0.00 C ATOM 94 O LEU A 8 -7.946 1.867 1.079 1.00 0.00 O ATOM 95 CB LEU A 8 -5.064 2.173 1.442 1.00 0.00 C ATOM 96 CG LEU A 8 -3.894 2.898 2.134 1.00 0.00 C ATOM 97 CD1 LEU A 8 -3.043 1.860 2.873 1.00 0.00 C ATOM 98 CD2 LEU A 8 -3.010 3.591 1.086 1.00 0.00 C ATOM 0 H LEU A 8 -6.549 3.984 2.666 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.486 3.626 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.630 1.596 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.682 1.466 0.705 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.290 3.641 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.210 2.359 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.655 1.351 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.658 1.131 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.186 4.101 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.612 2.847 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.604 4.318 0.532 1.00 0.00 H new ATOM 110 N GLU A 9 -7.573 2.682 -0.954 1.00 0.00 N ATOM 111 CA GLU A 9 -8.782 2.028 -1.531 1.00 0.00 C ATOM 112 C GLU A 9 -8.357 0.714 -2.191 1.00 0.00 C ATOM 113 O GLU A 9 -7.338 0.658 -2.851 1.00 0.00 O ATOM 114 CB GLU A 9 -9.377 2.984 -2.573 1.00 0.00 C ATOM 115 CG GLU A 9 -10.381 2.239 -3.463 1.00 0.00 C ATOM 116 CD GLU A 9 -10.896 3.200 -4.540 1.00 0.00 C ATOM 117 OE1 GLU A 9 -10.045 3.746 -5.226 1.00 0.00 O ATOM 118 OE2 GLU A 9 -12.106 3.333 -4.617 1.00 0.00 O ATOM 0 H GLU A 9 -7.034 3.247 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.525 1.812 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.871 3.817 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.581 3.407 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.906 1.374 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.211 1.864 -2.864 1.00 0.00 H new ATOM 125 N GLY A 10 -9.155 -0.304 -2.017 1.00 0.00 N ATOM 126 CA GLY A 10 -8.735 -1.655 -2.485 1.00 0.00 C ATOM 127 C GLY A 10 -9.412 -2.055 -3.793 1.00 0.00 C ATOM 128 O GLY A 10 -10.624 -2.069 -3.893 1.00 0.00 O ATOM 0 H GLY A 10 -10.073 -0.260 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.653 -1.670 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.971 -2.392 -1.717 1.00 0.00 H new ATOM 132 N GLN A 11 -8.603 -2.361 -4.770 1.00 0.00 N ATOM 133 CA GLN A 11 -9.140 -2.922 -6.040 1.00 0.00 C ATOM 134 C GLN A 11 -8.512 -4.301 -6.268 1.00 0.00 C ATOM 135 O GLN A 11 -7.305 -4.426 -6.348 1.00 0.00 O ATOM 136 CB GLN A 11 -8.742 -1.986 -7.187 1.00 0.00 C ATOM 137 CG GLN A 11 -9.329 -0.596 -6.921 1.00 0.00 C ATOM 138 CD GLN A 11 -8.780 0.385 -7.961 1.00 0.00 C ATOM 139 OE1 GLN A 11 -7.598 0.667 -8.004 1.00 0.00 O ATOM 140 NE2 GLN A 11 -9.603 0.928 -8.815 1.00 0.00 N ATOM 0 H GLN A 11 -7.590 -2.246 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.225 -3.014 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.656 -1.928 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.110 -2.375 -8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.417 -0.631 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.069 -0.264 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.596 0.696 -8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.254 1.585 -9.513 1.00 0.00 H new ATOM 149 N MET A 12 -9.339 -5.308 -6.334 1.00 0.00 N ATOM 150 CA MET A 12 -8.804 -6.680 -6.567 1.00 0.00 C ATOM 151 C MET A 12 -9.059 -7.087 -8.019 1.00 0.00 C ATOM 152 O MET A 12 -10.158 -6.959 -8.522 1.00 0.00 O ATOM 153 CB MET A 12 -9.518 -7.652 -5.618 1.00 0.00 C ATOM 154 CG MET A 12 -8.916 -9.050 -5.795 1.00 0.00 C ATOM 155 SD MET A 12 -9.289 -10.277 -4.517 1.00 0.00 S ATOM 156 CE MET A 12 -8.315 -9.525 -3.189 1.00 0.00 C ATOM 0 H MET A 12 -10.352 -5.242 -6.238 1.00 0.00 H new ATOM 0 HA MET A 12 -7.731 -6.702 -6.378 1.00 0.00 H new ATOM 0 HB2 MET A 12 -9.406 -7.321 -4.585 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.587 -7.672 -5.832 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.255 -9.445 -6.753 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.833 -8.946 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.438 -10.140 -2.988 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.998 -8.527 -3.491 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.923 -9.455 -2.287 1.00 0.00 H new ATOM 166 N GLY A 13 -8.027 -7.573 -8.654 1.00 0.00 N ATOM 167 CA GLY A 13 -8.137 -7.916 -10.100 1.00 0.00 C ATOM 168 C GLY A 13 -8.644 -9.345 -10.306 1.00 0.00 C ATOM 169 O GLY A 13 -8.402 -10.226 -9.504 1.00 0.00 O ATOM 0 H GLY A 13 -7.114 -7.747 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.814 -7.216 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.163 -7.803 -10.576 1.00 0.00 H new ATOM 173 N GLU A 14 -9.275 -9.552 -11.430 1.00 0.00 N ATOM 174 CA GLU A 14 -9.886 -10.882 -11.724 1.00 0.00 C ATOM 175 C GLU A 14 -8.845 -12.005 -11.808 1.00 0.00 C ATOM 176 O GLU A 14 -9.162 -13.116 -12.184 1.00 0.00 O ATOM 177 CB GLU A 14 -10.624 -10.780 -13.066 1.00 0.00 C ATOM 178 CG GLU A 14 -9.622 -10.400 -14.165 1.00 0.00 C ATOM 179 CD GLU A 14 -10.365 -10.289 -15.499 1.00 0.00 C ATOM 180 OE1 GLU A 14 -10.755 -11.336 -15.988 1.00 0.00 O ATOM 181 OE2 GLU A 14 -10.502 -9.163 -15.950 1.00 0.00 O ATOM 0 H GLU A 14 -9.395 -8.853 -12.163 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.563 -11.133 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.102 -11.730 -13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.415 -10.033 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.139 -9.453 -13.923 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.835 -11.151 -14.233 1.00 0.00 H new ATOM 188 N ASP A 15 -7.627 -11.698 -11.449 1.00 0.00 N ATOM 189 CA ASP A 15 -6.572 -12.751 -11.439 1.00 0.00 C ATOM 190 C ASP A 15 -6.691 -13.598 -10.170 1.00 0.00 C ATOM 191 O ASP A 15 -6.218 -14.717 -10.126 1.00 0.00 O ATOM 192 CB ASP A 15 -5.199 -12.074 -11.457 1.00 0.00 C ATOM 193 CG ASP A 15 -5.151 -11.047 -12.594 1.00 0.00 C ATOM 194 OD1 ASP A 15 -5.701 -9.978 -12.384 1.00 0.00 O ATOM 195 OD2 ASP A 15 -4.567 -11.393 -13.608 1.00 0.00 O ATOM 0 H ASP A 15 -7.319 -10.769 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.692 -13.392 -12.312 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.011 -11.584 -10.502 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.416 -12.820 -11.593 1.00 0.00 H new ATOM 200 N GLY A 16 -7.308 -13.038 -9.163 1.00 0.00 N ATOM 201 CA GLY A 16 -7.521 -13.813 -7.906 1.00 0.00 C ATOM 202 C GLY A 16 -6.606 -13.316 -6.784 1.00 0.00 C ATOM 203 O GLY A 16 -6.984 -13.324 -5.630 1.00 0.00 O ATOM 0 H GLY A 16 -7.671 -12.085 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.562 -13.726 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.331 -14.870 -8.092 1.00 0.00 H new ATOM 207 N ASN A 17 -5.411 -12.939 -7.149 1.00 0.00 N ATOM 208 CA ASN A 17 -4.454 -12.416 -6.131 1.00 0.00 C ATOM 209 C ASN A 17 -3.817 -11.102 -6.600 1.00 0.00 C ATOM 210 O ASN A 17 -3.024 -10.512 -5.893 1.00 0.00 O ATOM 211 CB ASN A 17 -3.366 -13.471 -5.895 1.00 0.00 C ATOM 212 CG ASN A 17 -2.806 -13.947 -7.237 1.00 0.00 C ATOM 213 OD1 ASN A 17 -2.322 -13.170 -8.035 1.00 0.00 O ATOM 214 ND2 ASN A 17 -2.843 -15.222 -7.514 1.00 0.00 N ATOM 0 H ASN A 17 -5.056 -12.970 -8.105 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.991 -12.214 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.566 -13.052 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.779 -14.315 -5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.466 -15.563 -8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.249 -15.877 -6.846 1.00 0.00 H new ATOM 221 N SER A 18 -4.175 -10.677 -7.782 1.00 0.00 N ATOM 222 CA SER A 18 -3.684 -9.357 -8.268 1.00 0.00 C ATOM 223 C SER A 18 -4.317 -8.243 -7.433 1.00 0.00 C ATOM 224 O SER A 18 -5.507 -8.015 -7.500 1.00 0.00 O ATOM 225 CB SER A 18 -4.111 -9.180 -9.727 1.00 0.00 C ATOM 226 OG SER A 18 -3.080 -9.825 -10.461 1.00 0.00 O ATOM 0 H SER A 18 -4.782 -11.183 -8.427 1.00 0.00 H new ATOM 0 HA SER A 18 -2.598 -9.312 -8.182 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.083 -9.635 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.194 -8.127 -9.995 1.00 0.00 H new ATOM 0 HG SER A 18 -3.185 -9.628 -11.415 1.00 0.00 H new ATOM 232 N ILE A 19 -3.497 -7.564 -6.682 1.00 0.00 N ATOM 233 CA ILE A 19 -4.012 -6.527 -5.748 1.00 0.00 C ATOM 234 C ILE A 19 -3.500 -5.149 -6.160 1.00 0.00 C ATOM 235 O ILE A 19 -2.308 -4.963 -6.306 1.00 0.00 O ATOM 236 CB ILE A 19 -3.410 -6.857 -4.376 1.00 0.00 C ATOM 237 CG1 ILE A 19 -4.154 -8.027 -3.728 1.00 0.00 C ATOM 238 CG2 ILE A 19 -3.431 -5.627 -3.454 1.00 0.00 C ATOM 239 CD1 ILE A 19 -5.526 -7.551 -3.233 1.00 0.00 C ATOM 0 H ILE A 19 -2.484 -7.684 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.102 -6.517 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.371 -7.149 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.276 -8.837 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.573 -8.425 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.999 -5.889 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.850 -4.823 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.460 -5.295 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.056 -8.385 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.392 -6.756 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.106 -7.174 -4.075 1.00 0.00 H new ATOM 251 N LYS A 20 -4.404 -4.219 -6.316 1.00 0.00 N ATOM 252 CA LYS A 20 -3.987 -2.806 -6.531 1.00 0.00 C ATOM 253 C LYS A 20 -4.466 -1.958 -5.350 1.00 0.00 C ATOM 254 O LYS A 20 -5.632 -1.949 -5.007 1.00 0.00 O ATOM 255 CB LYS A 20 -4.612 -2.294 -7.831 1.00 0.00 C ATOM 256 CG LYS A 20 -3.831 -2.886 -9.011 1.00 0.00 C ATOM 257 CD LYS A 20 -4.361 -2.280 -10.314 1.00 0.00 C ATOM 258 CE LYS A 20 -3.707 -3.004 -11.495 1.00 0.00 C ATOM 259 NZ LYS A 20 -2.289 -2.572 -11.646 1.00 0.00 N ATOM 0 H LYS A 20 -5.411 -4.378 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.901 -2.740 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.661 -2.584 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.580 -1.205 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.767 -2.674 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.940 -3.970 -9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.445 -2.380 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.137 -1.214 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.751 -4.082 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.258 -2.792 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.111 -2.304 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.107 -1.756 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.658 -3.355 -11.381 1.00 0.00 H new ATOM 273 N VAL A 21 -3.522 -1.287 -4.749 1.00 0.00 N ATOM 274 CA VAL A 21 -3.808 -0.424 -3.571 1.00 0.00 C ATOM 275 C VAL A 21 -3.804 1.031 -4.041 1.00 0.00 C ATOM 276 O VAL A 21 -2.752 1.587 -4.287 1.00 0.00 O ATOM 277 CB VAL A 21 -2.644 -0.609 -2.598 1.00 0.00 C ATOM 278 CG1 VAL A 21 -2.856 0.249 -1.350 1.00 0.00 C ATOM 279 CG2 VAL A 21 -2.508 -2.081 -2.199 1.00 0.00 C ATOM 0 H VAL A 21 -2.542 -1.302 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.763 -0.674 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.727 -0.293 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.020 0.108 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.917 1.299 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.782 -0.047 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.674 -2.195 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.428 -2.414 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.325 -2.684 -3.089 1.00 0.00 H new ATOM 289 N ASN A 22 -4.967 1.615 -4.133 1.00 0.00 N ATOM 290 CA ASN A 22 -5.059 2.984 -4.715 1.00 0.00 C ATOM 291 C ASN A 22 -4.864 4.014 -3.603 1.00 0.00 C ATOM 292 O ASN A 22 -5.551 3.975 -2.602 1.00 0.00 O ATOM 293 CB ASN A 22 -6.449 3.152 -5.331 1.00 0.00 C ATOM 294 CG ASN A 22 -6.469 4.391 -6.233 1.00 0.00 C ATOM 295 OD1 ASN A 22 -5.453 4.836 -6.731 1.00 0.00 O ATOM 296 ND2 ASN A 22 -7.613 4.967 -6.479 1.00 0.00 N ATOM 0 H ASN A 22 -5.852 1.207 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.293 3.127 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.711 2.266 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.196 3.251 -4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.652 5.786 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.469 4.599 -6.064 1.00 0.00 H new ATOM 303 N LEU A 23 -3.965 4.930 -3.833 1.00 0.00 N ATOM 304 CA LEU A 23 -3.562 5.866 -2.747 1.00 0.00 C ATOM 305 C LEU A 23 -4.291 7.198 -2.918 1.00 0.00 C ATOM 306 O LEU A 23 -3.979 7.977 -3.797 1.00 0.00 O ATOM 307 CB LEU A 23 -2.046 6.095 -2.845 1.00 0.00 C ATOM 308 CG LEU A 23 -1.328 4.746 -3.016 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.175 5.002 -3.151 1.00 0.00 C ATOM 310 CD2 LEU A 23 -1.571 3.879 -1.775 1.00 0.00 C ATOM 0 H LEU A 23 -3.492 5.071 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.819 5.445 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.821 6.747 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.686 6.598 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.707 4.236 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.696 4.053 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.360 5.632 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.540 5.504 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.063 2.922 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.183 4.389 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.641 3.709 -1.654 1.00 0.00 H new ATOM 322 N ILE A 24 -5.252 7.419 -2.064 1.00 0.00 N ATOM 323 CA ILE A 24 -6.036 8.683 -2.138 1.00 0.00 C ATOM 324 C ILE A 24 -5.409 9.703 -1.188 1.00 0.00 C ATOM 325 O ILE A 24 -5.165 9.398 -0.036 1.00 0.00 O ATOM 326 CB ILE A 24 -7.475 8.386 -1.681 1.00 0.00 C ATOM 327 CG1 ILE A 24 -7.953 7.038 -2.256 1.00 0.00 C ATOM 328 CG2 ILE A 24 -8.397 9.510 -2.169 1.00 0.00 C ATOM 329 CD1 ILE A 24 -7.832 7.044 -3.784 1.00 0.00 C ATOM 0 H ILE A 24 -5.528 6.779 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.038 9.076 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.501 8.329 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.358 6.225 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.988 6.857 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.419 9.307 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.067 10.460 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.361 9.563 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.172 6.087 -4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.446 7.845 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.791 7.204 -4.066 1.00 0.00 H new ATOM 341 N LYS A 25 -5.187 10.886 -1.691 1.00 0.00 N ATOM 342 CA LYS A 25 -4.509 11.937 -0.878 1.00 0.00 C ATOM 343 C LYS A 25 -5.548 12.927 -0.351 1.00 0.00 C ATOM 344 O LYS A 25 -6.530 13.205 -1.010 1.00 0.00 O ATOM 345 CB LYS A 25 -3.520 12.672 -1.792 1.00 0.00 C ATOM 346 CG LYS A 25 -2.353 11.727 -2.121 1.00 0.00 C ATOM 347 CD LYS A 25 -1.910 11.953 -3.577 1.00 0.00 C ATOM 348 CE LYS A 25 -2.520 10.856 -4.461 1.00 0.00 C ATOM 349 NZ LYS A 25 -2.195 11.118 -5.892 1.00 0.00 N ATOM 0 H LYS A 25 -5.447 11.172 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.989 11.488 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.018 12.990 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.150 13.572 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.520 11.910 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.658 10.690 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.233 12.936 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.822 11.932 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.134 9.881 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.601 10.826 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.075 11.267 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.599 11.967 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.684 10.303 -6.287 1.00 0.00 H new ATOM 363 N GLN A 26 -5.309 13.431 0.830 1.00 0.00 N ATOM 364 CA GLN A 26 -6.318 14.333 1.463 1.00 0.00 C ATOM 365 C GLN A 26 -5.672 15.595 2.046 1.00 0.00 C ATOM 366 O GLN A 26 -5.534 16.591 1.362 1.00 0.00 O ATOM 367 CB GLN A 26 -7.048 13.550 2.567 1.00 0.00 C ATOM 368 CG GLN A 26 -6.064 12.620 3.300 1.00 0.00 C ATOM 369 CD GLN A 26 -6.144 11.205 2.713 1.00 0.00 C ATOM 370 OE1 GLN A 26 -5.717 10.248 3.329 1.00 0.00 O ATOM 371 NE2 GLN A 26 -6.671 11.022 1.534 1.00 0.00 N ATOM 0 H GLN A 26 -4.467 13.260 1.381 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.023 14.661 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.501 14.243 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.858 12.964 2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.048 13.005 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.298 12.595 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.033 11.818 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.722 10.083 1.138 1.00 0.00 H new ATOM 380 N ASP A 27 -5.281 15.527 3.291 1.00 0.00 N ATOM 381 CA ASP A 27 -4.751 16.745 3.972 1.00 0.00 C ATOM 382 C ASP A 27 -3.229 16.677 4.099 1.00 0.00 C ATOM 383 O ASP A 27 -2.699 15.864 4.831 1.00 0.00 O ATOM 384 CB ASP A 27 -5.370 16.813 5.372 1.00 0.00 C ATOM 385 CG ASP A 27 -6.894 16.736 5.246 1.00 0.00 C ATOM 386 OD1 ASP A 27 -7.449 17.718 4.782 1.00 0.00 O ATOM 387 OD2 ASP A 27 -7.414 15.695 5.612 1.00 0.00 O ATOM 0 H ASP A 27 -5.305 14.684 3.864 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.007 17.628 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.001 15.992 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.079 17.739 5.868 1.00 0.00 H new ATOM 392 N ASP A 28 -2.567 17.534 3.368 1.00 0.00 N ATOM 393 CA ASP A 28 -1.078 17.564 3.414 1.00 0.00 C ATOM 394 C ASP A 28 -0.582 19.007 3.529 1.00 0.00 C ATOM 395 O ASP A 28 0.428 19.272 4.152 1.00 0.00 O ATOM 396 CB ASP A 28 -0.549 16.949 2.114 1.00 0.00 C ATOM 397 CG ASP A 28 -1.504 15.847 1.642 1.00 0.00 C ATOM 398 OD1 ASP A 28 -1.407 14.765 2.197 1.00 0.00 O ATOM 399 OD2 ASP A 28 -2.294 16.157 0.763 1.00 0.00 O ATOM 0 H ASP A 28 -2.995 18.215 2.741 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.723 17.003 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.457 17.718 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.448 16.537 2.274 1.00 0.00 H new ATOM 404 N GLY A 29 -1.307 19.902 2.914 1.00 0.00 N ATOM 405 CA GLY A 29 -0.909 21.339 2.939 1.00 0.00 C ATOM 406 C GLY A 29 -0.623 21.814 1.514 1.00 0.00 C ATOM 407 O GLY A 29 0.418 22.375 1.236 1.00 0.00 O ATOM 0 H GLY A 29 -2.161 19.699 2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.704 21.940 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.025 21.472 3.562 1.00 0.00 H new ATOM 411 N GLY A 30 -1.567 21.572 0.644 1.00 0.00 N ATOM 412 CA GLY A 30 -1.351 21.881 -0.800 1.00 0.00 C ATOM 413 C GLY A 30 -0.798 20.638 -1.500 1.00 0.00 C ATOM 414 O GLY A 30 -0.224 20.718 -2.567 1.00 0.00 O ATOM 0 H GLY A 30 -2.478 21.174 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.289 22.188 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.655 22.713 -0.907 1.00 0.00 H new ATOM 418 N SER A 31 -1.003 19.514 -0.864 1.00 0.00 N ATOM 419 CA SER A 31 -0.454 18.226 -1.377 1.00 0.00 C ATOM 420 C SER A 31 0.999 18.350 -1.866 1.00 0.00 C ATOM 421 O SER A 31 1.281 18.110 -3.024 1.00 0.00 O ATOM 422 CB SER A 31 -1.348 17.756 -2.529 1.00 0.00 C ATOM 423 OG SER A 31 -0.911 16.428 -2.778 1.00 0.00 O ATOM 0 H SER A 31 -1.536 19.434 0.002 1.00 0.00 H new ATOM 0 HA SER A 31 -0.446 17.507 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.402 17.785 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.230 18.387 -3.410 1.00 0.00 H new ATOM 0 HG SER A 31 -1.437 16.042 -3.510 1.00 0.00 H new ATOM 429 N PRO A 32 1.891 18.722 -0.980 1.00 0.00 N ATOM 430 CA PRO A 32 3.339 18.717 -1.288 1.00 0.00 C ATOM 431 C PRO A 32 3.908 17.331 -0.966 1.00 0.00 C ATOM 432 O PRO A 32 4.968 17.203 -0.386 1.00 0.00 O ATOM 433 CB PRO A 32 3.929 19.764 -0.325 1.00 0.00 C ATOM 434 CG PRO A 32 2.836 20.095 0.726 1.00 0.00 C ATOM 435 CD PRO A 32 1.568 19.312 0.345 1.00 0.00 C ATOM 0 HA PRO A 32 3.563 18.938 -2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.824 19.377 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.224 20.662 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.170 19.818 1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.634 21.166 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.340 18.540 1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.698 19.966 0.289 1.00 0.00 H new ATOM 443 N ILE A 33 3.175 16.323 -1.362 1.00 0.00 N ATOM 444 CA ILE A 33 3.564 14.933 -0.993 1.00 0.00 C ATOM 445 C ILE A 33 4.728 14.437 -1.850 1.00 0.00 C ATOM 446 O ILE A 33 4.916 14.851 -2.977 1.00 0.00 O ATOM 447 CB ILE A 33 2.345 14.013 -1.194 1.00 0.00 C ATOM 448 CG1 ILE A 33 1.254 14.371 -0.168 1.00 0.00 C ATOM 449 CG2 ILE A 33 2.759 12.540 -1.015 1.00 0.00 C ATOM 450 CD1 ILE A 33 1.718 14.004 1.250 1.00 0.00 C ATOM 0 H ILE A 33 2.327 16.403 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 33 3.886 14.921 0.048 1.00 0.00 H new ATOM 0 HB ILE A 33 1.957 14.153 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.030 15.437 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.332 13.840 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.890 11.898 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.524 12.285 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.156 12.393 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.938 14.262 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.919 12.934 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.627 14.555 1.489 1.00 0.00 H new ATOM 462 N ARG A 34 5.473 13.546 -1.257 1.00 0.00 N ATOM 463 CA ARG A 34 6.643 12.933 -1.940 1.00 0.00 C ATOM 464 C ARG A 34 6.526 11.411 -1.851 1.00 0.00 C ATOM 465 O ARG A 34 6.560 10.845 -0.774 1.00 0.00 O ATOM 466 CB ARG A 34 7.920 13.399 -1.233 1.00 0.00 C ATOM 467 CG ARG A 34 8.105 14.895 -1.498 1.00 0.00 C ATOM 468 CD ARG A 34 9.417 15.354 -0.858 1.00 0.00 C ATOM 469 NE ARG A 34 9.638 16.779 -1.235 1.00 0.00 N ATOM 470 CZ ARG A 34 10.744 17.123 -1.837 1.00 0.00 C ATOM 471 NH1 ARG A 34 10.905 16.803 -3.091 1.00 0.00 N ATOM 472 NH2 ARG A 34 11.651 17.775 -1.163 1.00 0.00 N ATOM 0 H ARG A 34 5.315 13.211 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 34 6.675 13.232 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.850 13.210 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.781 12.840 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.121 15.089 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.267 15.457 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.370 15.249 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.246 14.736 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 34 8.929 17.481 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.173 16.292 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.763 17.063 -3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.489 18.007 -0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.522 18.052 -1.616 1.00 0.00 H new ATOM 486 N HIS A 35 6.356 10.826 -3.008 1.00 0.00 N ATOM 487 CA HIS A 35 6.231 9.343 -3.163 1.00 0.00 C ATOM 488 C HIS A 35 5.570 8.603 -1.990 1.00 0.00 C ATOM 489 O HIS A 35 5.016 9.189 -1.082 1.00 0.00 O ATOM 490 CB HIS A 35 7.637 8.772 -3.390 1.00 0.00 C ATOM 491 CG HIS A 35 8.532 9.126 -2.200 1.00 0.00 C ATOM 492 ND1 HIS A 35 9.503 9.983 -2.228 1.00 0.00 N ATOM 493 CD2 HIS A 35 8.524 8.662 -0.897 1.00 0.00 C ATOM 494 CE1 HIS A 35 10.055 10.051 -1.056 1.00 0.00 C ATOM 495 NE2 HIS A 35 9.476 9.246 -0.200 1.00 0.00 N ATOM 0 H HIS A 35 6.296 11.337 -3.889 1.00 0.00 H new ATOM 0 HA HIS A 35 5.562 9.182 -4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.586 7.690 -3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.061 9.176 -4.310 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.836 7.926 -0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.890 10.693 -0.815 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.710 9.104 0.783 1.00 0.00 H new ATOM 503 N TYR A 36 5.626 7.300 -2.067 1.00 0.00 N ATOM 504 CA TYR A 36 5.099 6.466 -0.950 1.00 0.00 C ATOM 505 C TYR A 36 6.070 5.336 -0.621 1.00 0.00 C ATOM 506 O TYR A 36 6.758 4.834 -1.487 1.00 0.00 O ATOM 507 CB TYR A 36 3.780 5.826 -1.382 1.00 0.00 C ATOM 508 CG TYR A 36 2.754 6.921 -1.667 1.00 0.00 C ATOM 509 CD1 TYR A 36 2.226 7.667 -0.633 1.00 0.00 C ATOM 510 CD2 TYR A 36 2.321 7.157 -2.956 1.00 0.00 C ATOM 511 CE1 TYR A 36 1.276 8.635 -0.883 1.00 0.00 C ATOM 512 CE2 TYR A 36 1.368 8.120 -3.207 1.00 0.00 C ATOM 513 CZ TYR A 36 0.840 8.867 -2.173 1.00 0.00 C ATOM 514 OH TYR A 36 -0.113 9.833 -2.425 1.00 0.00 O ATOM 0 H TYR A 36 6.013 6.779 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 36 4.963 7.106 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.934 5.216 -2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.412 5.162 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.559 7.492 0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.732 6.583 -3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.871 9.214 -0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.032 8.292 -4.219 1.00 0.00 H new ATOM 0 HH TYR A 36 0.221 10.706 -2.131 1.00 0.00 H new ATOM 524 N LEU A 37 6.025 4.928 0.615 1.00 0.00 N ATOM 525 CA LEU A 37 6.851 3.780 1.083 1.00 0.00 C ATOM 526 C LEU A 37 5.870 2.649 1.382 1.00 0.00 C ATOM 527 O LEU A 37 5.061 2.771 2.282 1.00 0.00 O ATOM 528 CB LEU A 37 7.567 4.172 2.391 1.00 0.00 C ATOM 529 CG LEU A 37 7.900 5.674 2.397 1.00 0.00 C ATOM 530 CD1 LEU A 37 8.319 6.090 3.816 1.00 0.00 C ATOM 531 CD2 LEU A 37 9.068 5.933 1.441 1.00 0.00 C ATOM 0 H LEU A 37 5.439 5.350 1.335 1.00 0.00 H new ATOM 0 HA LEU A 37 7.596 3.491 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.934 3.931 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.483 3.591 2.499 1.00 0.00 H new ATOM 0 HG LEU A 37 7.027 6.246 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.557 7.154 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.501 5.893 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.197 5.519 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.309 6.996 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.938 5.364 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.789 5.624 0.434 1.00 0.00 H new ATOM 543 N VAL A 38 5.910 1.602 0.601 1.00 0.00 N ATOM 544 CA VAL A 38 4.895 0.527 0.780 1.00 0.00 C ATOM 545 C VAL A 38 5.549 -0.774 1.234 1.00 0.00 C ATOM 546 O VAL A 38 6.503 -1.233 0.636 1.00 0.00 O ATOM 547 CB VAL A 38 4.196 0.288 -0.560 1.00 0.00 C ATOM 548 CG1 VAL A 38 3.105 -0.775 -0.366 1.00 0.00 C ATOM 549 CG2 VAL A 38 3.543 1.595 -1.022 1.00 0.00 C ATOM 0 H VAL A 38 6.591 1.447 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 38 4.182 0.841 1.542 1.00 0.00 H new ATOM 0 HB VAL A 38 4.918 -0.049 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.599 -0.954 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.559 -1.702 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.382 -0.424 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.042 1.434 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.814 1.919 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.308 2.363 -1.139 1.00 0.00 H new ATOM 559 N LYS A 39 4.990 -1.320 2.280 1.00 0.00 N ATOM 560 CA LYS A 39 5.468 -2.621 2.824 1.00 0.00 C ATOM 561 C LYS A 39 4.246 -3.493 3.111 1.00 0.00 C ATOM 562 O LYS A 39 3.268 -3.020 3.653 1.00 0.00 O ATOM 563 CB LYS A 39 6.193 -2.328 4.143 1.00 0.00 C ATOM 564 CG LYS A 39 6.757 -3.629 4.723 1.00 0.00 C ATOM 565 CD LYS A 39 7.261 -3.360 6.147 1.00 0.00 C ATOM 566 CE LYS A 39 8.465 -2.414 6.091 1.00 0.00 C ATOM 567 NZ LYS A 39 9.059 -2.272 7.450 1.00 0.00 N ATOM 0 H LYS A 39 4.207 -0.910 2.789 1.00 0.00 H new ATOM 0 HA LYS A 39 6.132 -3.128 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.999 -1.614 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.505 -1.870 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.988 -4.401 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.570 -3.999 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.466 -2.919 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.543 -4.297 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.211 -2.801 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.156 -1.439 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.875 -1.629 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.347 -1.884 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.370 -3.204 7.792 1.00 0.00 H new ATOM 581 N TYR A 40 4.292 -4.738 2.721 1.00 0.00 N ATOM 582 CA TYR A 40 3.126 -5.613 3.034 1.00 0.00 C ATOM 583 C TYR A 40 3.560 -7.038 3.366 1.00 0.00 C ATOM 584 O TYR A 40 4.656 -7.458 3.054 1.00 0.00 O ATOM 585 CB TYR A 40 2.143 -5.594 1.853 1.00 0.00 C ATOM 586 CG TYR A 40 2.563 -6.569 0.748 1.00 0.00 C ATOM 587 CD1 TYR A 40 3.820 -6.504 0.182 1.00 0.00 C ATOM 588 CD2 TYR A 40 1.650 -7.479 0.251 1.00 0.00 C ATOM 589 CE1 TYR A 40 4.155 -7.332 -0.867 1.00 0.00 C ATOM 590 CE2 TYR A 40 1.983 -8.306 -0.802 1.00 0.00 C ATOM 591 CZ TYR A 40 3.240 -8.238 -1.368 1.00 0.00 C ATOM 592 OH TYR A 40 3.579 -9.056 -2.427 1.00 0.00 O ATOM 0 H TYR A 40 5.061 -5.177 2.215 1.00 0.00 H new ATOM 0 HA TYR A 40 2.628 -5.223 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.145 -5.853 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.085 -4.585 1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.545 -5.800 0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.666 -7.544 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.142 -7.272 -1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.258 -9.009 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 40 3.998 -9.874 -2.087 1.00 0.00 H new ATOM 602 N ARG A 41 2.675 -7.725 4.034 1.00 0.00 N ATOM 603 CA ARG A 41 2.961 -9.130 4.441 1.00 0.00 C ATOM 604 C ARG A 41 1.701 -9.989 4.345 1.00 0.00 C ATOM 605 O ARG A 41 0.610 -9.479 4.188 1.00 0.00 O ATOM 606 CB ARG A 41 3.447 -9.136 5.892 1.00 0.00 C ATOM 607 CG ARG A 41 2.317 -8.693 6.832 1.00 0.00 C ATOM 608 CD ARG A 41 2.774 -8.933 8.275 1.00 0.00 C ATOM 609 NE ARG A 41 1.574 -8.904 9.161 1.00 0.00 N ATOM 610 CZ ARG A 41 1.358 -9.898 9.979 1.00 0.00 C ATOM 611 NH1 ARG A 41 2.299 -10.245 10.814 1.00 0.00 N ATOM 612 NH2 ARG A 41 0.208 -10.515 9.936 1.00 0.00 N ATOM 0 H ARG A 41 1.761 -7.372 4.317 1.00 0.00 H new ATOM 0 HA ARG A 41 3.721 -9.539 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.786 -10.135 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.302 -8.468 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.084 -7.639 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.406 -9.255 6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.282 -9.894 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.488 -8.168 8.579 1.00 0.00 H new ATOM 0 HE ARG A 41 0.929 -8.115 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.186 -9.742 10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.147 -11.019 11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.505 -10.218 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.023 -11.294 10.568 1.00 0.00 H new ATOM 626 N ALA A 42 1.882 -11.268 4.530 1.00 0.00 N ATOM 627 CA ALA A 42 0.730 -12.204 4.404 1.00 0.00 C ATOM 628 C ALA A 42 0.614 -13.062 5.663 1.00 0.00 C ATOM 629 O ALA A 42 1.473 -13.038 6.521 1.00 0.00 O ATOM 630 CB ALA A 42 0.999 -13.117 3.208 1.00 0.00 C ATOM 0 H ALA A 42 2.775 -11.704 4.762 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.195 -11.642 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.171 -13.816 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.097 -12.514 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.921 -13.673 3.375 1.00 0.00 H new ATOM 636 N LEU A 43 -0.482 -13.764 5.751 1.00 0.00 N ATOM 637 CA LEU A 43 -0.647 -14.757 6.851 1.00 0.00 C ATOM 638 C LEU A 43 0.215 -16.001 6.594 1.00 0.00 C ATOM 639 O LEU A 43 -0.224 -17.122 6.768 1.00 0.00 O ATOM 640 CB LEU A 43 -2.126 -15.156 6.901 1.00 0.00 C ATOM 641 CG LEU A 43 -2.470 -15.642 8.313 1.00 0.00 C ATOM 642 CD1 LEU A 43 -2.605 -14.426 9.236 1.00 0.00 C ATOM 643 CD2 LEU A 43 -3.811 -16.382 8.267 1.00 0.00 C ATOM 0 H LEU A 43 -1.271 -13.693 5.109 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.330 -14.318 7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.753 -14.306 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.328 -15.942 6.174 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.688 -16.306 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.850 -14.760 10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.664 -13.877 9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.398 -13.775 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.067 -16.733 9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.588 -15.706 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.733 -17.234 7.592 1.00 0.00 H new ATOM 655 N ALA A 44 1.430 -15.761 6.185 1.00 0.00 N ATOM 656 CA ALA A 44 2.392 -16.876 5.960 1.00 0.00 C ATOM 657 C ALA A 44 3.807 -16.382 6.272 1.00 0.00 C ATOM 658 O ALA A 44 4.520 -16.972 7.062 1.00 0.00 O ATOM 659 CB ALA A 44 2.311 -17.301 4.490 1.00 0.00 C ATOM 0 H ALA A 44 1.801 -14.830 5.995 1.00 0.00 H new ATOM 0 HA ALA A 44 2.152 -17.722 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.010 -18.117 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.298 -17.633 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.567 -16.455 3.852 1.00 0.00 H new ATOM 665 N SER A 45 4.174 -15.306 5.630 1.00 0.00 N ATOM 666 CA SER A 45 5.501 -14.676 5.898 1.00 0.00 C ATOM 667 C SER A 45 5.326 -13.163 6.061 1.00 0.00 C ATOM 668 O SER A 45 4.383 -12.588 5.554 1.00 0.00 O ATOM 669 CB SER A 45 6.423 -14.963 4.710 1.00 0.00 C ATOM 670 OG SER A 45 5.636 -14.624 3.578 1.00 0.00 O ATOM 0 H SER A 45 3.608 -14.832 4.926 1.00 0.00 H new ATOM 0 HA SER A 45 5.932 -15.083 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.333 -14.365 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.729 -16.009 4.685 1.00 0.00 H new ATOM 0 HG SER A 45 5.022 -13.897 3.812 1.00 0.00 H new ATOM 676 N GLU A 46 6.253 -12.542 6.744 1.00 0.00 N ATOM 677 CA GLU A 46 6.088 -11.087 7.028 1.00 0.00 C ATOM 678 C GLU A 46 6.631 -10.215 5.890 1.00 0.00 C ATOM 679 O GLU A 46 6.845 -10.679 4.788 1.00 0.00 O ATOM 680 CB GLU A 46 6.803 -10.737 8.339 1.00 0.00 C ATOM 681 CG GLU A 46 8.314 -10.933 8.166 1.00 0.00 C ATOM 682 CD GLU A 46 9.016 -10.561 9.475 1.00 0.00 C ATOM 683 OE1 GLU A 46 8.877 -11.340 10.404 1.00 0.00 O ATOM 684 OE2 GLU A 46 9.649 -9.518 9.471 1.00 0.00 O ATOM 0 H GLU A 46 7.102 -12.971 7.111 1.00 0.00 H new ATOM 0 HA GLU A 46 5.021 -10.882 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.589 -9.705 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.434 -11.369 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.532 -11.968 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.684 -10.312 7.350 1.00 0.00 H new ATOM 691 N TRP A 47 6.816 -8.964 6.218 1.00 0.00 N ATOM 692 CA TRP A 47 7.275 -7.937 5.235 1.00 0.00 C ATOM 693 C TRP A 47 8.030 -8.489 4.022 1.00 0.00 C ATOM 694 O TRP A 47 9.102 -9.049 4.140 1.00 0.00 O ATOM 695 CB TRP A 47 8.185 -6.948 5.976 1.00 0.00 C ATOM 696 CG TRP A 47 7.604 -6.657 7.365 1.00 0.00 C ATOM 697 CD1 TRP A 47 8.297 -6.744 8.538 1.00 0.00 C ATOM 698 CD2 TRP A 47 6.318 -6.321 7.639 1.00 0.00 C ATOM 699 NE1 TRP A 47 7.384 -6.460 9.441 1.00 0.00 N ATOM 700 CE2 TRP A 47 6.167 -6.194 9.005 1.00 0.00 C ATOM 701 CE3 TRP A 47 5.233 -6.118 6.807 1.00 0.00 C ATOM 702 CZ2 TRP A 47 4.934 -5.869 9.542 1.00 0.00 C ATOM 703 CZ3 TRP A 47 4.000 -5.799 7.342 1.00 0.00 C ATOM 704 CH2 TRP A 47 3.850 -5.673 8.708 1.00 0.00 C ATOM 0 H TRP A 47 6.663 -8.600 7.158 1.00 0.00 H new ATOM 0 HA TRP A 47 6.376 -7.471 4.832 1.00 0.00 H new ATOM 0 HB2 TRP A 47 9.189 -7.362 6.070 1.00 0.00 H new ATOM 0 HB3 TRP A 47 8.274 -6.023 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.339 -6.986 8.688 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.607 -6.446 10.436 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.349 -6.209 5.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.819 -5.769 10.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.152 -5.648 6.690 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.886 -5.421 9.125 1.00 0.00 H new ATOM 715 N LYS A 48 7.419 -8.307 2.882 1.00 0.00 N ATOM 716 CA LYS A 48 8.109 -8.595 1.594 1.00 0.00 C ATOM 717 C LYS A 48 9.064 -7.438 1.279 1.00 0.00 C ATOM 718 O LYS A 48 8.991 -6.398 1.903 1.00 0.00 O ATOM 719 CB LYS A 48 7.032 -8.659 0.498 1.00 0.00 C ATOM 720 CG LYS A 48 6.466 -10.082 0.416 1.00 0.00 C ATOM 721 CD LYS A 48 5.558 -10.331 1.626 1.00 0.00 C ATOM 722 CE LYS A 48 4.859 -11.684 1.454 1.00 0.00 C ATOM 723 NZ LYS A 48 5.875 -12.765 1.308 1.00 0.00 N ATOM 0 H LYS A 48 6.462 -7.968 2.789 1.00 0.00 H new ATOM 0 HA LYS A 48 8.667 -9.530 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.233 -7.951 0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.459 -8.370 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.904 -10.210 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.278 -10.809 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.144 -10.324 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.820 -9.534 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.222 -11.886 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.212 -11.660 0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.897 -13.090 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.812 -12.399 1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.626 -13.561 1.929 1.00 0.00 H new ATOM 737 N PRO A 49 9.938 -7.643 0.328 1.00 0.00 N ATOM 738 CA PRO A 49 10.866 -6.578 -0.125 1.00 0.00 C ATOM 739 C PRO A 49 10.095 -5.290 -0.437 1.00 0.00 C ATOM 740 O PRO A 49 9.364 -5.218 -1.405 1.00 0.00 O ATOM 741 CB PRO A 49 11.522 -7.149 -1.392 1.00 0.00 C ATOM 742 CG PRO A 49 11.142 -8.652 -1.474 1.00 0.00 C ATOM 743 CD PRO A 49 10.086 -8.934 -0.392 1.00 0.00 C ATOM 0 HA PRO A 49 11.603 -6.316 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.175 -6.616 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.605 -7.028 -1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.749 -8.893 -2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.022 -9.277 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.142 -9.253 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.409 -9.729 0.280 1.00 0.00 H new ATOM 751 N GLU A 50 10.267 -4.314 0.414 1.00 0.00 N ATOM 752 CA GLU A 50 9.499 -3.044 0.270 1.00 0.00 C ATOM 753 C GLU A 50 9.632 -2.427 -1.123 1.00 0.00 C ATOM 754 O GLU A 50 10.540 -2.737 -1.868 1.00 0.00 O ATOM 755 CB GLU A 50 10.043 -2.036 1.287 1.00 0.00 C ATOM 756 CG GLU A 50 9.077 -1.960 2.470 1.00 0.00 C ATOM 757 CD GLU A 50 9.131 -0.553 3.070 1.00 0.00 C ATOM 758 OE1 GLU A 50 8.460 0.298 2.509 1.00 0.00 O ATOM 759 OE2 GLU A 50 9.844 -0.408 4.050 1.00 0.00 O ATOM 0 H GLU A 50 10.909 -4.342 1.206 1.00 0.00 H new ATOM 0 HA GLU A 50 8.447 -3.275 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.033 -2.340 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.152 -1.055 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.063 -2.191 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.346 -2.701 3.223 1.00 0.00 H new ATOM 766 N ILE A 51 8.705 -1.557 -1.423 1.00 0.00 N ATOM 767 CA ILE A 51 8.783 -0.804 -2.708 1.00 0.00 C ATOM 768 C ILE A 51 8.539 0.688 -2.459 1.00 0.00 C ATOM 769 O ILE A 51 7.827 1.057 -1.546 1.00 0.00 O ATOM 770 CB ILE A 51 7.718 -1.357 -3.671 1.00 0.00 C ATOM 771 CG1 ILE A 51 7.820 -0.611 -5.010 1.00 0.00 C ATOM 772 CG2 ILE A 51 6.321 -1.124 -3.081 1.00 0.00 C ATOM 773 CD1 ILE A 51 7.048 -1.391 -6.081 1.00 0.00 C ATOM 0 H ILE A 51 7.900 -1.336 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 51 9.774 -0.924 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 51 7.881 -2.424 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.413 0.395 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.865 -0.505 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.568 -1.516 -3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.242 -1.635 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.160 -0.055 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.117 -0.866 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.476 -2.388 -6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.002 -1.474 -5.787 1.00 0.00 H new ATOM 785 N ARG A 52 9.147 1.507 -3.273 1.00 0.00 N ATOM 786 CA ARG A 52 8.885 2.971 -3.174 1.00 0.00 C ATOM 787 C ARG A 52 8.184 3.445 -4.449 1.00 0.00 C ATOM 788 O ARG A 52 8.606 3.145 -5.548 1.00 0.00 O ATOM 789 CB ARG A 52 10.214 3.715 -3.018 1.00 0.00 C ATOM 790 CG ARG A 52 9.918 5.114 -2.457 1.00 0.00 C ATOM 791 CD ARG A 52 11.181 5.974 -2.548 1.00 0.00 C ATOM 792 NE ARG A 52 11.353 6.398 -3.966 1.00 0.00 N ATOM 793 CZ ARG A 52 11.323 7.667 -4.263 1.00 0.00 C ATOM 794 NH1 ARG A 52 12.358 8.409 -3.975 1.00 0.00 N ATOM 795 NH2 ARG A 52 10.258 8.157 -4.838 1.00 0.00 N ATOM 0 H ARG A 52 9.809 1.229 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 52 8.251 3.173 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.879 3.170 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.722 3.791 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.107 5.579 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.588 5.040 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.096 6.845 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.051 5.409 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 52 11.493 5.701 -4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.174 7.994 -3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.351 9.404 -4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.466 7.549 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.218 9.148 -5.077 1.00 0.00 H new ATOM 809 N LEU A 53 7.123 4.178 -4.255 1.00 0.00 N ATOM 810 CA LEU A 53 6.315 4.656 -5.410 1.00 0.00 C ATOM 811 C LEU A 53 6.971 5.875 -6.066 1.00 0.00 C ATOM 812 O LEU A 53 7.898 6.453 -5.534 1.00 0.00 O ATOM 813 CB LEU A 53 4.957 5.094 -4.853 1.00 0.00 C ATOM 814 CG LEU A 53 4.073 3.876 -4.532 1.00 0.00 C ATOM 815 CD1 LEU A 53 3.346 3.441 -5.808 1.00 0.00 C ATOM 816 CD2 LEU A 53 4.901 2.704 -3.985 1.00 0.00 C ATOM 0 H LEU A 53 6.779 4.468 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 53 6.227 3.863 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.105 5.688 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.452 5.733 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 53 3.356 4.163 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.716 2.578 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.726 4.261 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.078 3.174 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.243 1.862 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.642 2.405 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.407 3.012 -3.070 1.00 0.00 H new ATOM 828 N PRO A 54 6.481 6.220 -7.228 1.00 0.00 N ATOM 829 CA PRO A 54 6.844 7.500 -7.879 1.00 0.00 C ATOM 830 C PRO A 54 6.165 8.648 -7.127 1.00 0.00 C ATOM 831 O PRO A 54 5.144 8.453 -6.498 1.00 0.00 O ATOM 832 CB PRO A 54 6.272 7.390 -9.302 1.00 0.00 C ATOM 833 CG PRO A 54 5.478 6.060 -9.393 1.00 0.00 C ATOM 834 CD PRO A 54 5.610 5.335 -8.044 1.00 0.00 C ATOM 0 HA PRO A 54 7.918 7.688 -7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.623 8.238 -9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.075 7.407 -10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.430 6.257 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.867 5.438 -10.199 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.637 5.193 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.053 4.346 -8.167 1.00 0.00 H new ATOM 842 N SER A 55 6.736 9.818 -7.212 1.00 0.00 N ATOM 843 CA SER A 55 6.140 10.968 -6.474 1.00 0.00 C ATOM 844 C SER A 55 4.954 11.533 -7.257 1.00 0.00 C ATOM 845 O SER A 55 5.113 12.074 -8.335 1.00 0.00 O ATOM 846 CB SER A 55 7.208 12.048 -6.300 1.00 0.00 C ATOM 847 OG SER A 55 6.623 12.927 -5.352 1.00 0.00 O ATOM 0 H SER A 55 7.576 10.027 -7.751 1.00 0.00 H new ATOM 0 HA SER A 55 5.787 10.635 -5.498 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.148 11.631 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.426 12.555 -7.240 1.00 0.00 H new ATOM 0 HG SER A 55 7.239 13.666 -5.167 1.00 0.00 H new ATOM 853 N GLY A 56 3.787 11.381 -6.690 1.00 0.00 N ATOM 854 CA GLY A 56 2.551 11.807 -7.405 1.00 0.00 C ATOM 855 C GLY A 56 2.003 10.620 -8.198 1.00 0.00 C ATOM 856 O GLY A 56 1.648 10.748 -9.354 1.00 0.00 O ATOM 0 H GLY A 56 3.637 10.981 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.806 12.160 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.771 12.639 -8.075 1.00 0.00 H new ATOM 860 N SER A 57 1.944 9.492 -7.545 1.00 0.00 N ATOM 861 CA SER A 57 1.496 8.249 -8.235 1.00 0.00 C ATOM 862 C SER A 57 0.009 7.988 -7.979 1.00 0.00 C ATOM 863 O SER A 57 -0.658 8.761 -7.322 1.00 0.00 O ATOM 864 CB SER A 57 2.319 7.077 -7.690 1.00 0.00 C ATOM 865 OG SER A 57 2.116 7.137 -6.286 1.00 0.00 O ATOM 0 H SER A 57 2.187 9.377 -6.561 1.00 0.00 H new ATOM 0 HA SER A 57 1.641 8.360 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.981 6.126 -8.102 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.374 7.177 -7.945 1.00 0.00 H new ATOM 0 HG SER A 57 1.855 6.252 -5.955 1.00 0.00 H new ATOM 871 N ASP A 58 -0.459 6.893 -8.515 1.00 0.00 N ATOM 872 CA ASP A 58 -1.900 6.540 -8.366 1.00 0.00 C ATOM 873 C ASP A 58 -2.061 5.355 -7.409 1.00 0.00 C ATOM 874 O ASP A 58 -2.762 5.446 -6.421 1.00 0.00 O ATOM 875 CB ASP A 58 -2.444 6.180 -9.755 1.00 0.00 C ATOM 876 CG ASP A 58 -3.830 5.540 -9.619 1.00 0.00 C ATOM 877 OD1 ASP A 58 -4.744 6.277 -9.284 1.00 0.00 O ATOM 878 OD2 ASP A 58 -3.883 4.344 -9.853 1.00 0.00 O ATOM 0 H ASP A 58 0.096 6.226 -9.051 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.453 7.382 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.505 7.075 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.763 5.492 -10.255 1.00 0.00 H new ATOM 883 N HIS A 59 -1.417 4.257 -7.709 1.00 0.00 N ATOM 884 CA HIS A 59 -1.534 3.091 -6.785 1.00 0.00 C ATOM 885 C HIS A 59 -0.248 2.264 -6.713 1.00 0.00 C ATOM 886 O HIS A 59 0.635 2.387 -7.539 1.00 0.00 O ATOM 887 CB HIS A 59 -2.693 2.201 -7.261 1.00 0.00 C ATOM 888 CG HIS A 59 -2.282 1.409 -8.504 1.00 0.00 C ATOM 889 ND1 HIS A 59 -2.585 1.732 -9.721 1.00 0.00 N ATOM 890 CD2 HIS A 59 -1.588 0.220 -8.628 1.00 0.00 C ATOM 891 CE1 HIS A 59 -2.128 0.830 -10.534 1.00 0.00 C ATOM 892 NE2 HIS A 59 -1.503 -0.127 -9.894 1.00 0.00 N ATOM 0 H HIS A 59 -0.830 4.118 -8.531 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.721 3.475 -5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.984 1.516 -6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.564 2.817 -7.486 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.103 2.566 -9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.175 -0.343 -7.804 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.248 0.864 -11.607 1.00 0.00 H new ATOM 900 N VAL A 60 -0.198 1.437 -5.704 1.00 0.00 N ATOM 901 CA VAL A 60 0.914 0.449 -5.582 1.00 0.00 C ATOM 902 C VAL A 60 0.328 -0.944 -5.835 1.00 0.00 C ATOM 903 O VAL A 60 -0.803 -1.204 -5.476 1.00 0.00 O ATOM 904 CB VAL A 60 1.531 0.541 -4.173 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.475 0.275 -3.086 1.00 0.00 C ATOM 906 CG2 VAL A 60 2.644 -0.508 -4.056 1.00 0.00 C ATOM 0 H VAL A 60 -0.886 1.403 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 60 1.703 0.652 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 60 1.927 1.546 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.939 0.347 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.323 1.013 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.059 -0.724 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.091 -0.455 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.225 -1.502 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.408 -0.313 -4.809 1.00 0.00 H new ATOM 916 N MET A 61 1.081 -1.801 -6.470 1.00 0.00 N ATOM 917 CA MET A 61 0.488 -3.110 -6.875 1.00 0.00 C ATOM 918 C MET A 61 1.335 -4.309 -6.445 1.00 0.00 C ATOM 919 O MET A 61 2.547 -4.244 -6.378 1.00 0.00 O ATOM 920 CB MET A 61 0.333 -3.118 -8.400 1.00 0.00 C ATOM 921 CG MET A 61 1.713 -3.024 -9.063 1.00 0.00 C ATOM 922 SD MET A 61 1.760 -2.564 -10.813 1.00 0.00 S ATOM 923 CE MET A 61 1.758 -0.769 -10.583 1.00 0.00 C ATOM 0 H MET A 61 2.059 -1.658 -6.722 1.00 0.00 H new ATOM 0 HA MET A 61 -0.475 -3.209 -6.374 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.172 -4.030 -8.719 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.290 -2.281 -8.716 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.306 -2.298 -8.507 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.207 -3.990 -8.954 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.299 -0.292 -11.449 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.191 -0.518 -9.687 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.783 -0.415 -10.474 1.00 0.00 H new ATOM 933 N LEU A 62 0.641 -5.376 -6.151 1.00 0.00 N ATOM 934 CA LEU A 62 1.320 -6.671 -5.854 1.00 0.00 C ATOM 935 C LEU A 62 0.542 -7.807 -6.524 1.00 0.00 C ATOM 936 O LEU A 62 -0.672 -7.803 -6.532 1.00 0.00 O ATOM 937 CB LEU A 62 1.368 -6.875 -4.328 1.00 0.00 C ATOM 938 CG LEU A 62 -0.031 -6.666 -3.718 1.00 0.00 C ATOM 939 CD1 LEU A 62 -0.605 -8.024 -3.288 1.00 0.00 C ATOM 940 CD2 LEU A 62 0.083 -5.765 -2.482 1.00 0.00 C ATOM 0 H LEU A 62 -0.377 -5.406 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 62 2.339 -6.664 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.726 -7.879 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.075 -6.175 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.684 -6.202 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.595 -7.880 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.680 -8.679 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.052 -8.478 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.906 -5.615 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.734 -6.237 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.502 -4.801 -2.772 1.00 0.00 H new ATOM 952 N LYS A 63 1.247 -8.741 -7.107 1.00 0.00 N ATOM 953 CA LYS A 63 0.540 -9.837 -7.834 1.00 0.00 C ATOM 954 C LYS A 63 1.171 -11.200 -7.544 1.00 0.00 C ATOM 955 O LYS A 63 2.282 -11.287 -7.060 1.00 0.00 O ATOM 956 CB LYS A 63 0.630 -9.558 -9.338 1.00 0.00 C ATOM 957 CG LYS A 63 -0.127 -8.262 -9.651 1.00 0.00 C ATOM 958 CD LYS A 63 -0.247 -8.119 -11.171 1.00 0.00 C ATOM 959 CE LYS A 63 -0.966 -6.806 -11.491 1.00 0.00 C ATOM 960 NZ LYS A 63 -2.427 -6.952 -11.237 1.00 0.00 N ATOM 0 H LYS A 63 2.266 -8.793 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.497 -9.865 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.673 -9.468 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.204 -10.388 -9.901 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.116 -8.282 -9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.400 -7.405 -9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.742 -8.129 -11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.799 -8.962 -11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.560 -6.001 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.795 -6.532 -12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.929 -6.123 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.777 -7.811 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.596 -7.024 -10.213 1.00 0.00 H new ATOM 974 N SER A 64 0.427 -12.231 -7.850 1.00 0.00 N ATOM 975 CA SER A 64 0.921 -13.622 -7.631 1.00 0.00 C ATOM 976 C SER A 64 1.149 -13.886 -6.140 1.00 0.00 C ATOM 977 O SER A 64 2.214 -14.305 -5.731 1.00 0.00 O ATOM 978 CB SER A 64 2.228 -13.823 -8.410 1.00 0.00 C ATOM 979 OG SER A 64 1.890 -13.448 -9.738 1.00 0.00 O ATOM 0 H SER A 64 -0.511 -12.167 -8.246 1.00 0.00 H new ATOM 0 HA SER A 64 0.171 -14.327 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.031 -13.203 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.569 -14.857 -8.360 1.00 0.00 H new ATOM 0 HG SER A 64 2.676 -13.544 -10.315 1.00 0.00 H new ATOM 985 N LEU A 65 0.130 -13.632 -5.363 1.00 0.00 N ATOM 986 CA LEU A 65 0.231 -13.891 -3.898 1.00 0.00 C ATOM 987 C LEU A 65 -0.366 -15.263 -3.570 1.00 0.00 C ATOM 988 O LEU A 65 -0.773 -15.993 -4.451 1.00 0.00 O ATOM 989 CB LEU A 65 -0.558 -12.804 -3.151 1.00 0.00 C ATOM 990 CG LEU A 65 0.246 -11.490 -3.077 1.00 0.00 C ATOM 991 CD1 LEU A 65 1.647 -11.750 -2.511 1.00 0.00 C ATOM 992 CD2 LEU A 65 0.389 -10.895 -4.480 1.00 0.00 C ATOM 0 H LEU A 65 -0.765 -13.258 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 65 1.278 -13.875 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.507 -12.626 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.793 -13.148 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.286 -10.797 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.201 -10.812 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.562 -12.170 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.175 -12.453 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.957 -9.967 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.911 -11.603 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.600 -10.691 -4.891 1.00 0.00 H new ATOM 1004 N ASP A 66 -0.407 -15.577 -2.303 1.00 0.00 N ATOM 1005 CA ASP A 66 -0.919 -16.915 -1.889 1.00 0.00 C ATOM 1006 C ASP A 66 -2.445 -16.954 -1.962 1.00 0.00 C ATOM 1007 O ASP A 66 -3.128 -16.071 -1.479 1.00 0.00 O ATOM 1008 CB ASP A 66 -0.481 -17.170 -0.443 1.00 0.00 C ATOM 1009 CG ASP A 66 1.047 -17.261 -0.388 1.00 0.00 C ATOM 1010 OD1 ASP A 66 1.657 -16.209 -0.496 1.00 0.00 O ATOM 1011 OD2 ASP A 66 1.516 -18.379 -0.243 1.00 0.00 O ATOM 0 H ASP A 66 -0.110 -14.968 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.520 -17.678 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.833 -16.366 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.926 -18.094 -0.073 1.00 0.00 H new ATOM 1016 N TRP A 67 -2.963 -17.991 -2.560 1.00 0.00 N ATOM 1017 CA TRP A 67 -4.447 -18.095 -2.665 1.00 0.00 C ATOM 1018 C TRP A 67 -5.046 -18.438 -1.299 1.00 0.00 C ATOM 1019 O TRP A 67 -4.394 -19.028 -0.460 1.00 0.00 O ATOM 1020 CB TRP A 67 -4.787 -19.198 -3.669 1.00 0.00 C ATOM 1021 CG TRP A 67 -4.336 -18.760 -5.065 1.00 0.00 C ATOM 1022 CD1 TRP A 67 -3.066 -18.850 -5.554 1.00 0.00 C ATOM 1023 CD2 TRP A 67 -5.139 -18.243 -6.026 1.00 0.00 C ATOM 1024 NE1 TRP A 67 -3.190 -18.385 -6.779 1.00 0.00 N ATOM 1025 CE2 TRP A 67 -4.394 -17.997 -7.161 1.00 0.00 C ATOM 1026 CE3 TRP A 67 -6.492 -17.961 -6.014 1.00 0.00 C ATOM 1027 CZ2 TRP A 67 -4.999 -17.479 -8.288 1.00 0.00 C ATOM 1028 CZ3 TRP A 67 -7.101 -17.441 -7.140 1.00 0.00 C ATOM 1029 CH2 TRP A 67 -6.353 -17.202 -8.279 1.00 0.00 C ATOM 0 H TRP A 67 -2.435 -18.759 -2.974 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.862 -17.144 -2.998 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.292 -20.128 -3.388 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.859 -19.394 -3.664 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.178 -19.213 -5.058 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.389 -18.327 -7.408 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -7.074 -18.147 -5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.415 -17.290 -9.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.158 -17.222 -7.131 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.827 -16.799 -9.162 1.00 0.00 H new ATOM 1040 N ASN A 68 -6.284 -18.061 -1.119 1.00 0.00 N ATOM 1041 CA ASN A 68 -6.964 -18.269 0.193 1.00 0.00 C ATOM 1042 C ASN A 68 -6.057 -17.829 1.348 1.00 0.00 C ATOM 1043 O ASN A 68 -5.875 -18.540 2.318 1.00 0.00 O ATOM 1044 CB ASN A 68 -7.319 -19.757 0.317 1.00 0.00 C ATOM 1045 CG ASN A 68 -8.424 -19.928 1.364 1.00 0.00 C ATOM 1046 OD1 ASN A 68 -9.622 -20.258 0.965 1.00 0.00 O flip ATOM 1047 ND2 ASN A 68 -8.209 -19.763 2.548 1.00 0.00 N flip ATOM 0 H ASN A 68 -6.859 -17.613 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.870 -17.666 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.651 -20.145 -0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.438 -20.330 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.275 -19.505 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.963 -19.882 3.225 1.00 0.00 H new ATOM 1054 N ALA A 69 -5.502 -16.656 1.200 1.00 0.00 N ATOM 1055 CA ALA A 69 -4.610 -16.102 2.259 1.00 0.00 C ATOM 1056 C ALA A 69 -5.040 -14.677 2.610 1.00 0.00 C ATOM 1057 O ALA A 69 -5.603 -13.984 1.787 1.00 0.00 O ATOM 1058 CB ALA A 69 -3.192 -16.053 1.690 1.00 0.00 C ATOM 0 H ALA A 69 -5.629 -16.054 0.386 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.661 -16.723 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.512 -15.651 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.875 -17.059 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.176 -15.414 0.807 1.00 0.00 H new ATOM 1064 N GLU A 70 -4.746 -14.274 3.818 1.00 0.00 N ATOM 1065 CA GLU A 70 -5.062 -12.877 4.234 1.00 0.00 C ATOM 1066 C GLU A 70 -3.807 -12.014 4.095 1.00 0.00 C ATOM 1067 O GLU A 70 -2.711 -12.491 4.306 1.00 0.00 O ATOM 1068 CB GLU A 70 -5.495 -12.894 5.703 1.00 0.00 C ATOM 1069 CG GLU A 70 -6.893 -13.510 5.801 1.00 0.00 C ATOM 1070 CD GLU A 70 -7.238 -13.726 7.278 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -7.471 -12.723 7.932 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -7.242 -14.883 7.669 1.00 0.00 O ATOM 0 H GLU A 70 -4.302 -14.851 4.533 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.857 -12.470 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.787 -13.470 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.500 -11.881 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.628 -12.854 5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.926 -14.458 5.264 1.00 0.00 H new ATOM 1079 N TYR A 71 -4.006 -10.771 3.742 1.00 0.00 N ATOM 1080 CA TYR A 71 -2.848 -9.860 3.519 1.00 0.00 C ATOM 1081 C TYR A 71 -3.016 -8.517 4.225 1.00 0.00 C ATOM 1082 O TYR A 71 -4.098 -7.964 4.275 1.00 0.00 O ATOM 1083 CB TYR A 71 -2.758 -9.587 2.019 1.00 0.00 C ATOM 1084 CG TYR A 71 -1.909 -10.676 1.370 1.00 0.00 C ATOM 1085 CD1 TYR A 71 -2.458 -11.910 1.093 1.00 0.00 C ATOM 1086 CD2 TYR A 71 -0.577 -10.450 1.093 1.00 0.00 C ATOM 1087 CE1 TYR A 71 -1.680 -12.911 0.550 1.00 0.00 C ATOM 1088 CE2 TYR A 71 0.201 -11.450 0.550 1.00 0.00 C ATOM 1089 CZ TYR A 71 -0.345 -12.689 0.280 1.00 0.00 C ATOM 1090 OH TYR A 71 0.446 -13.705 -0.217 1.00 0.00 O ATOM 0 H TYR A 71 -4.923 -10.348 3.599 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.955 -10.342 3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.755 -9.573 1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.316 -8.607 1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.502 -12.094 1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.141 -9.484 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.118 -13.874 0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.243 -11.263 0.335 1.00 0.00 H new ATOM 0 HH TYR A 71 0.396 -14.481 0.380 1.00 0.00 H new ATOM 1100 N GLU A 72 -1.897 -8.016 4.677 1.00 0.00 N ATOM 1101 CA GLU A 72 -1.840 -6.680 5.336 1.00 0.00 C ATOM 1102 C GLU A 72 -0.874 -5.796 4.552 1.00 0.00 C ATOM 1103 O GLU A 72 0.272 -6.157 4.375 1.00 0.00 O ATOM 1104 CB GLU A 72 -1.261 -6.853 6.746 1.00 0.00 C ATOM 1105 CG GLU A 72 -2.386 -7.167 7.731 1.00 0.00 C ATOM 1106 CD GLU A 72 -2.728 -8.658 7.647 1.00 0.00 C ATOM 1107 OE1 GLU A 72 -1.929 -9.414 8.175 1.00 0.00 O ATOM 1108 OE2 GLU A 72 -3.760 -8.952 7.067 1.00 0.00 O ATOM 0 H GLU A 72 -0.997 -8.491 4.614 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.836 -6.240 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.525 -7.657 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.742 -5.944 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.080 -6.908 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.266 -6.566 7.500 1.00 0.00 H new ATOM 1115 N VAL A 73 -1.360 -4.673 4.094 1.00 0.00 N ATOM 1116 CA VAL A 73 -0.489 -3.716 3.357 1.00 0.00 C ATOM 1117 C VAL A 73 -0.415 -2.408 4.150 1.00 0.00 C ATOM 1118 O VAL A 73 -1.433 -1.831 4.470 1.00 0.00 O ATOM 1119 CB VAL A 73 -1.141 -3.431 1.995 1.00 0.00 C ATOM 1120 CG1 VAL A 73 -0.249 -2.482 1.189 1.00 0.00 C ATOM 1121 CG2 VAL A 73 -1.298 -4.742 1.214 1.00 0.00 C ATOM 0 H VAL A 73 -2.330 -4.377 4.200 1.00 0.00 H new ATOM 0 HA VAL A 73 0.511 -4.129 3.225 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.119 -2.977 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.712 -2.280 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.126 -1.547 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.727 -2.943 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.761 -4.537 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.318 -5.192 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.927 -5.429 1.779 1.00 0.00 H new ATOM 1131 N TYR A 74 0.779 -1.976 4.448 1.00 0.00 N ATOM 1132 CA TYR A 74 0.947 -0.685 5.175 1.00 0.00 C ATOM 1133 C TYR A 74 1.618 0.313 4.227 1.00 0.00 C ATOM 1134 O TYR A 74 2.641 0.017 3.642 1.00 0.00 O ATOM 1135 CB TYR A 74 1.859 -0.924 6.387 1.00 0.00 C ATOM 1136 CG TYR A 74 1.067 -1.573 7.530 1.00 0.00 C ATOM 1137 CD1 TYR A 74 0.332 -0.789 8.399 1.00 0.00 C ATOM 1138 CD2 TYR A 74 1.131 -2.937 7.751 1.00 0.00 C ATOM 1139 CE1 TYR A 74 -0.312 -1.356 9.479 1.00 0.00 C ATOM 1140 CE2 TYR A 74 0.483 -3.502 8.831 1.00 0.00 C ATOM 1141 CZ TYR A 74 -0.241 -2.715 9.703 1.00 0.00 C ATOM 1142 OH TYR A 74 -0.893 -3.281 10.779 1.00 0.00 O ATOM 0 H TYR A 74 1.647 -2.461 4.220 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.016 -0.298 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.692 -1.566 6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.285 0.022 6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.261 0.276 8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.692 -3.564 7.074 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.876 -0.731 10.155 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.543 -4.568 8.995 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.737 -4.248 10.784 1.00 0.00 H new ATOM 1152 N VAL A 75 1.006 1.458 4.085 1.00 0.00 N ATOM 1153 CA VAL A 75 1.561 2.494 3.165 1.00 0.00 C ATOM 1154 C VAL A 75 1.870 3.782 3.933 1.00 0.00 C ATOM 1155 O VAL A 75 1.008 4.336 4.582 1.00 0.00 O ATOM 1156 CB VAL A 75 0.514 2.806 2.085 1.00 0.00 C ATOM 1157 CG1 VAL A 75 1.066 3.892 1.151 1.00 0.00 C ATOM 1158 CG2 VAL A 75 0.234 1.545 1.262 1.00 0.00 C ATOM 0 H VAL A 75 0.146 1.721 4.566 1.00 0.00 H new ATOM 0 HA VAL A 75 2.480 2.116 2.717 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.406 3.148 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.328 4.119 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.279 4.793 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.983 3.536 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.509 1.768 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.155 1.209 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.144 0.760 1.917 1.00 0.00 H new ATOM 1168 N VAL A 76 3.098 4.211 3.833 1.00 0.00 N ATOM 1169 CA VAL A 76 3.512 5.502 4.456 1.00 0.00 C ATOM 1170 C VAL A 76 3.764 6.508 3.336 1.00 0.00 C ATOM 1171 O VAL A 76 4.084 6.115 2.232 1.00 0.00 O ATOM 1172 CB VAL A 76 4.847 5.283 5.182 1.00 0.00 C ATOM 1173 CG1 VAL A 76 5.034 6.357 6.260 1.00 0.00 C ATOM 1174 CG2 VAL A 76 4.859 3.898 5.838 1.00 0.00 C ATOM 0 H VAL A 76 3.842 3.717 3.340 1.00 0.00 H new ATOM 0 HA VAL A 76 2.744 5.856 5.144 1.00 0.00 H new ATOM 0 HB VAL A 76 5.660 5.350 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.983 6.197 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.034 7.343 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.218 6.296 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.808 3.747 6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.042 3.829 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.735 3.132 5.073 1.00 0.00 H new ATOM 1184 N ALA A 77 3.689 7.777 3.634 1.00 0.00 N ATOM 1185 CA ALA A 77 3.971 8.781 2.566 1.00 0.00 C ATOM 1186 C ALA A 77 5.003 9.784 3.071 1.00 0.00 C ATOM 1187 O ALA A 77 5.141 9.970 4.264 1.00 0.00 O ATOM 1188 CB ALA A 77 2.667 9.512 2.228 1.00 0.00 C ATOM 0 H ALA A 77 3.450 8.157 4.550 1.00 0.00 H new ATOM 0 HA ALA A 77 4.361 8.284 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.855 10.250 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.927 8.793 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.290 10.014 3.119 1.00 0.00 H new ATOM 1194 N GLU A 78 5.714 10.409 2.170 1.00 0.00 N ATOM 1195 CA GLU A 78 6.670 11.462 2.622 1.00 0.00 C ATOM 1196 C GLU A 78 6.130 12.812 2.158 1.00 0.00 C ATOM 1197 O GLU A 78 5.231 12.859 1.346 1.00 0.00 O ATOM 1198 CB GLU A 78 8.025 11.171 1.972 1.00 0.00 C ATOM 1199 CG GLU A 78 9.093 12.094 2.568 1.00 0.00 C ATOM 1200 CD GLU A 78 10.406 11.878 1.811 1.00 0.00 C ATOM 1201 OE1 GLU A 78 11.004 10.841 2.052 1.00 0.00 O ATOM 1202 OE2 GLU A 78 10.728 12.756 1.028 1.00 0.00 O ATOM 0 H GLU A 78 5.677 10.242 1.164 1.00 0.00 H new ATOM 0 HA GLU A 78 6.785 11.474 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.300 10.129 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.962 11.321 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.779 13.135 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.228 11.880 3.628 1.00 0.00 H new ATOM 1209 N ASN A 79 6.641 13.882 2.704 1.00 0.00 N ATOM 1210 CA ASN A 79 6.201 15.220 2.221 1.00 0.00 C ATOM 1211 C ASN A 79 7.363 16.212 2.296 1.00 0.00 C ATOM 1212 O ASN A 79 8.221 16.110 3.152 1.00 0.00 O ATOM 1213 CB ASN A 79 5.038 15.678 3.110 1.00 0.00 C ATOM 1214 CG ASN A 79 4.566 17.076 2.699 1.00 0.00 C ATOM 1215 OD1 ASN A 79 5.281 18.046 2.853 1.00 0.00 O ATOM 1216 ND2 ASN A 79 3.369 17.225 2.198 1.00 0.00 N ATOM 0 H ASN A 79 7.334 13.888 3.453 1.00 0.00 H new ATOM 0 HA ASN A 79 5.877 15.167 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.212 14.971 3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.352 15.686 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.037 18.154 1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.766 16.413 2.067 1.00 0.00 H new ATOM 1223 N GLN A 80 7.343 17.159 1.398 1.00 0.00 N ATOM 1224 CA GLN A 80 8.421 18.189 1.343 1.00 0.00 C ATOM 1225 C GLN A 80 8.889 18.622 2.738 1.00 0.00 C ATOM 1226 O GLN A 80 10.072 18.756 2.981 1.00 0.00 O ATOM 1227 CB GLN A 80 7.861 19.407 0.604 1.00 0.00 C ATOM 1228 CG GLN A 80 9.011 20.350 0.233 1.00 0.00 C ATOM 1229 CD GLN A 80 8.433 21.736 -0.064 1.00 0.00 C ATOM 1230 OE1 GLN A 80 7.886 22.388 0.803 1.00 0.00 O ATOM 1231 NE2 GLN A 80 8.534 22.219 -1.272 1.00 0.00 N ATOM 0 H GLN A 80 6.616 17.264 0.690 1.00 0.00 H new ATOM 0 HA GLN A 80 9.284 17.762 0.832 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.332 19.090 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.138 19.927 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.731 20.408 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.546 19.969 -0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.993 21.674 -2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.154 23.141 -1.486 1.00 0.00 H new ATOM 1240 N GLN A 81 7.946 18.820 3.620 1.00 0.00 N ATOM 1241 CA GLN A 81 8.295 19.335 4.977 1.00 0.00 C ATOM 1242 C GLN A 81 7.982 18.323 6.089 1.00 0.00 C ATOM 1243 O GLN A 81 7.460 18.687 7.125 1.00 0.00 O ATOM 1244 CB GLN A 81 7.476 20.613 5.207 1.00 0.00 C ATOM 1245 CG GLN A 81 8.061 21.736 4.343 1.00 0.00 C ATOM 1246 CD GLN A 81 7.137 22.954 4.405 1.00 0.00 C ATOM 1247 OE1 GLN A 81 6.733 23.393 5.463 1.00 0.00 O ATOM 1248 NE2 GLN A 81 6.785 23.533 3.290 1.00 0.00 N ATOM 0 H GLN A 81 6.953 18.648 3.461 1.00 0.00 H new ATOM 0 HA GLN A 81 9.368 19.524 5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.431 20.443 4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.502 20.894 6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.057 22.002 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.169 21.399 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.121 23.169 2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.174 24.349 3.310 1.00 0.00 H new ATOM 1257 N GLY A 82 8.304 17.077 5.863 1.00 0.00 N ATOM 1258 CA GLY A 82 8.155 16.074 6.954 1.00 0.00 C ATOM 1259 C GLY A 82 7.747 14.711 6.393 1.00 0.00 C ATOM 1260 O GLY A 82 7.947 14.416 5.230 1.00 0.00 O ATOM 0 H GLY A 82 8.660 16.714 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.095 15.981 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.406 16.416 7.668 1.00 0.00 H new ATOM 1264 N LYS A 83 7.177 13.909 7.248 1.00 0.00 N ATOM 1265 CA LYS A 83 6.751 12.544 6.831 1.00 0.00 C ATOM 1266 C LYS A 83 5.296 12.322 7.254 1.00 0.00 C ATOM 1267 O LYS A 83 4.811 12.982 8.152 1.00 0.00 O ATOM 1268 CB LYS A 83 7.670 11.550 7.546 1.00 0.00 C ATOM 1269 CG LYS A 83 8.696 10.991 6.550 1.00 0.00 C ATOM 1270 CD LYS A 83 8.016 9.950 5.651 1.00 0.00 C ATOM 1271 CE LYS A 83 7.926 8.614 6.395 1.00 0.00 C ATOM 1272 NZ LYS A 83 9.289 8.041 6.580 1.00 0.00 N ATOM 0 H LYS A 83 6.987 14.141 8.223 1.00 0.00 H new ATOM 0 HA LYS A 83 6.818 12.415 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.182 12.042 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.082 10.737 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.108 11.798 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.530 10.537 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.019 10.291 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.581 9.827 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.449 8.760 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.303 7.917 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.226 7.004 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.892 8.313 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.702 8.405 7.462 1.00 0.00 H new ATOM 1286 N SER A 84 4.630 11.402 6.607 1.00 0.00 N ATOM 1287 CA SER A 84 3.182 11.202 6.901 1.00 0.00 C ATOM 1288 C SER A 84 2.939 9.752 7.314 1.00 0.00 C ATOM 1289 O SER A 84 3.165 8.843 6.537 1.00 0.00 O ATOM 1290 CB SER A 84 2.388 11.511 5.634 1.00 0.00 C ATOM 1291 OG SER A 84 1.034 11.414 6.052 1.00 0.00 O ATOM 0 H SER A 84 5.022 10.786 5.895 1.00 0.00 H new ATOM 0 HA SER A 84 2.869 11.859 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.618 12.505 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.613 10.801 4.838 1.00 0.00 H new ATOM 0 HG SER A 84 0.445 11.693 5.320 1.00 0.00 H new ATOM 1297 N LYS A 85 2.453 9.619 8.520 1.00 0.00 N ATOM 1298 CA LYS A 85 2.249 8.282 9.149 1.00 0.00 C ATOM 1299 C LYS A 85 1.634 7.256 8.198 1.00 0.00 C ATOM 1300 O LYS A 85 1.107 7.585 7.154 1.00 0.00 O ATOM 1301 CB LYS A 85 1.312 8.464 10.348 1.00 0.00 C ATOM 1302 CG LYS A 85 2.015 9.334 11.399 1.00 0.00 C ATOM 1303 CD LYS A 85 1.048 9.604 12.559 1.00 0.00 C ATOM 1304 CE LYS A 85 0.863 8.318 13.371 1.00 0.00 C ATOM 1305 NZ LYS A 85 -0.001 8.588 14.555 1.00 0.00 N ATOM 0 H LYS A 85 2.182 10.405 9.111 1.00 0.00 H new ATOM 0 HA LYS A 85 3.227 7.899 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.381 8.934 10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.051 7.495 10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.910 8.831 11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.338 10.274 10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.438 10.398 13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.087 9.947 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.411 7.546 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.832 7.939 13.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.123 7.712 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.447 9.311 15.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.930 8.929 14.236 1.00 0.00 H new ATOM 1319 N ALA A 86 1.678 6.024 8.627 1.00 0.00 N ATOM 1320 CA ALA A 86 1.232 4.917 7.740 1.00 0.00 C ATOM 1321 C ALA A 86 -0.269 4.661 7.863 1.00 0.00 C ATOM 1322 O ALA A 86 -0.840 4.714 8.935 1.00 0.00 O ATOM 1323 CB ALA A 86 1.986 3.651 8.153 1.00 0.00 C ATOM 0 H ALA A 86 2.003 5.739 9.551 1.00 0.00 H new ATOM 0 HA ALA A 86 1.439 5.191 6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.678 2.821 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.058 3.814 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.760 3.416 9.193 1.00 0.00 H new ATOM 1329 N ALA A 87 -0.861 4.395 6.730 1.00 0.00 N ATOM 1330 CA ALA A 87 -2.284 3.959 6.698 1.00 0.00 C ATOM 1331 C ALA A 87 -2.284 2.460 6.401 1.00 0.00 C ATOM 1332 O ALA A 87 -1.426 1.982 5.685 1.00 0.00 O ATOM 1333 CB ALA A 87 -2.998 4.702 5.568 1.00 0.00 C ATOM 0 H ALA A 87 -0.413 4.462 5.816 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.790 4.168 7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.043 4.393 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.944 5.776 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.517 4.468 4.618 1.00 0.00 H new ATOM 1339 N HIS A 88 -3.235 1.756 6.955 1.00 0.00 N ATOM 1340 CA HIS A 88 -3.212 0.273 6.815 1.00 0.00 C ATOM 1341 C HIS A 88 -4.403 -0.233 5.997 1.00 0.00 C ATOM 1342 O HIS A 88 -5.539 0.134 6.230 1.00 0.00 O ATOM 1343 CB HIS A 88 -3.234 -0.337 8.218 1.00 0.00 C ATOM 1344 CG HIS A 88 -3.031 -1.849 8.113 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -3.667 -2.741 8.805 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -2.152 -2.584 7.338 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -3.230 -3.923 8.493 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -2.290 -3.868 7.584 1.00 0.00 N ATOM 0 H HIS A 88 -4.015 2.137 7.490 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.309 -0.025 6.282 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.450 0.105 8.832 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.183 -0.119 8.707 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -4.398 -2.545 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.452 -2.163 6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.597 -4.840 8.930 1.00 0.00 H new ATOM 1356 N PHE A 89 -4.084 -1.075 5.052 1.00 0.00 N ATOM 1357 CA PHE A 89 -5.108 -1.658 4.142 1.00 0.00 C ATOM 1358 C PHE A 89 -5.101 -3.175 4.337 1.00 0.00 C ATOM 1359 O PHE A 89 -4.054 -3.791 4.309 1.00 0.00 O ATOM 1360 CB PHE A 89 -4.670 -1.318 2.710 1.00 0.00 C ATOM 1361 CG PHE A 89 -5.539 -2.053 1.687 1.00 0.00 C ATOM 1362 CD1 PHE A 89 -6.789 -1.564 1.366 1.00 0.00 C ATOM 1363 CD2 PHE A 89 -5.063 -3.177 1.039 1.00 0.00 C ATOM 1364 CE1 PHE A 89 -7.556 -2.191 0.408 1.00 0.00 C ATOM 1365 CE2 PHE A 89 -5.826 -3.803 0.074 1.00 0.00 C ATOM 1366 CZ PHE A 89 -7.075 -3.311 -0.239 1.00 0.00 C ATOM 0 H PHE A 89 -3.131 -1.390 4.869 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.107 -1.271 4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.742 -0.242 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.624 -1.592 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.168 -0.686 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.088 -3.568 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.535 -1.805 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.445 -4.676 -0.435 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.677 -3.802 -0.990 1.00 0.00 H new ATOM 1376 N VAL A 90 -6.256 -3.744 4.549 1.00 0.00 N ATOM 1377 CA VAL A 90 -6.305 -5.212 4.810 1.00 0.00 C ATOM 1378 C VAL A 90 -7.283 -5.892 3.856 1.00 0.00 C ATOM 1379 O VAL A 90 -8.341 -5.365 3.571 1.00 0.00 O ATOM 1380 CB VAL A 90 -6.773 -5.442 6.255 1.00 0.00 C ATOM 1381 CG1 VAL A 90 -6.158 -6.753 6.755 1.00 0.00 C ATOM 1382 CG2 VAL A 90 -6.283 -4.298 7.148 1.00 0.00 C ATOM 0 H VAL A 90 -7.156 -3.265 4.553 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.312 -5.635 4.657 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.862 -5.485 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.477 -6.937 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.488 -7.575 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.071 -6.681 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.618 -4.466 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.194 -4.259 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.688 -3.354 6.785 1.00 0.00 H new ATOM 1392 N PHE A 91 -6.907 -7.048 3.378 1.00 0.00 N ATOM 1393 CA PHE A 91 -7.824 -7.777 2.453 1.00 0.00 C ATOM 1394 C PHE A 91 -7.494 -9.269 2.411 1.00 0.00 C ATOM 1395 O PHE A 91 -6.538 -9.715 3.014 1.00 0.00 O ATOM 1396 CB PHE A 91 -7.665 -7.176 1.049 1.00 0.00 C ATOM 1397 CG PHE A 91 -6.312 -7.601 0.469 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -5.173 -6.864 0.726 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -6.218 -8.746 -0.297 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -3.952 -7.268 0.225 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -4.998 -9.156 -0.794 1.00 0.00 C ATOM 1402 CZ PHE A 91 -3.864 -8.415 -0.532 1.00 0.00 C ATOM 0 H PHE A 91 -6.022 -7.513 3.582 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.850 -7.671 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.474 -7.515 0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.728 -6.089 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.238 -5.966 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.105 -9.324 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.066 -6.685 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.931 -10.056 -1.387 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.908 -8.734 -0.920 1.00 0.00 H new ATOM 1412 N ARG A 92 -8.297 -10.007 1.691 1.00 0.00 N ATOM 1413 CA ARG A 92 -8.001 -11.456 1.501 1.00 0.00 C ATOM 1414 C ARG A 92 -7.983 -11.786 0.007 1.00 0.00 C ATOM 1415 O ARG A 92 -8.726 -11.213 -0.767 1.00 0.00 O ATOM 1416 CB ARG A 92 -9.102 -12.277 2.184 1.00 0.00 C ATOM 1417 CG ARG A 92 -8.600 -13.717 2.369 1.00 0.00 C ATOM 1418 CD ARG A 92 -9.799 -14.650 2.566 1.00 0.00 C ATOM 1419 NE ARG A 92 -10.516 -14.761 1.265 1.00 0.00 N ATOM 1420 CZ ARG A 92 -11.818 -14.851 1.254 1.00 0.00 C ATOM 1421 NH1 ARG A 92 -12.526 -13.755 1.219 1.00 0.00 N ATOM 1422 NH2 ARG A 92 -12.369 -16.034 1.276 1.00 0.00 N ATOM 0 H ARG A 92 -9.141 -9.670 1.228 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.029 -11.693 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.357 -11.839 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.010 -12.268 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.022 -14.028 1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.935 -13.774 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.466 -15.632 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.464 -14.258 3.335 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.993 -14.767 0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.061 -12.848 1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.545 -13.806 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.784 -16.869 1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.385 -16.124 1.268 1.00 0.00 H new ATOM 1436 N THR A 93 -7.149 -12.722 -0.358 1.00 0.00 N ATOM 1437 CA THR A 93 -7.075 -13.130 -1.790 1.00 0.00 C ATOM 1438 C THR A 93 -8.233 -14.082 -2.104 1.00 0.00 C ATOM 1439 O THR A 93 -8.933 -14.517 -1.211 1.00 0.00 O ATOM 1440 CB THR A 93 -5.737 -13.848 -2.031 1.00 0.00 C ATOM 1441 OG1 THR A 93 -5.779 -14.989 -1.186 1.00 0.00 O ATOM 1442 CG2 THR A 93 -4.559 -13.033 -1.481 1.00 0.00 C ATOM 0 H THR A 93 -6.518 -13.220 0.270 1.00 0.00 H new ATOM 0 HA THR A 93 -7.144 -12.253 -2.434 1.00 0.00 H new ATOM 0 HB THR A 93 -5.610 -14.035 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.912 -15.445 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.628 -13.568 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.525 -12.063 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.686 -12.889 -0.408 1.00 0.00 H new ATOM 1450 N SER A 94 -8.426 -14.361 -3.365 1.00 0.00 N ATOM 1451 CA SER A 94 -9.527 -15.286 -3.762 1.00 0.00 C ATOM 1452 C SER A 94 -9.091 -16.738 -3.567 1.00 0.00 C ATOM 1453 O SER A 94 -8.016 -17.002 -3.069 1.00 0.00 O ATOM 1454 CB SER A 94 -9.835 -15.058 -5.244 1.00 0.00 C ATOM 1455 OG SER A 94 -10.136 -13.674 -5.319 1.00 0.00 O ATOM 0 H SER A 94 -7.871 -13.990 -4.136 1.00 0.00 H new ATOM 0 HA SER A 94 -10.406 -15.092 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.984 -15.317 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.675 -15.668 -5.576 1.00 0.00 H new ATOM 0 HG SER A 94 -9.305 -13.163 -5.414 1.00 0.00 H new ATOM 1461 N ALA A 95 -9.942 -17.652 -3.949 1.00 0.00 N ATOM 1462 CA ALA A 95 -9.589 -19.095 -3.817 1.00 0.00 C ATOM 1463 C ALA A 95 -9.128 -19.650 -5.168 1.00 0.00 C ATOM 1464 O ALA A 95 -9.593 -19.227 -6.208 1.00 0.00 O ATOM 1465 CB ALA A 95 -10.836 -19.856 -3.361 1.00 0.00 C ATOM 0 H ALA A 95 -10.863 -17.463 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.782 -19.211 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.599 -20.915 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.170 -19.464 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.628 -19.732 -4.099 1.00 0.00 H new ATOM 1471 N GLN A 96 -8.225 -20.590 -5.113 1.00 0.00 N ATOM 1472 CA GLN A 96 -7.689 -21.180 -6.374 1.00 0.00 C ATOM 1473 C GLN A 96 -8.523 -22.391 -6.802 1.00 0.00 C ATOM 1474 O GLN A 96 -9.150 -22.957 -5.922 1.00 0.00 O ATOM 1475 CB GLN A 96 -6.246 -21.627 -6.111 1.00 0.00 C ATOM 1476 CG GLN A 96 -5.519 -21.780 -7.451 1.00 0.00 C ATOM 1477 CD GLN A 96 -4.027 -21.999 -7.184 1.00 0.00 C ATOM 1478 OE1 GLN A 96 -3.170 -21.125 -7.635 1.00 0.00 O flip ATOM 1479 NE2 GLN A 96 -3.630 -22.965 -6.564 1.00 0.00 N flip ATOM 1480 OXT GLN A 96 -8.482 -22.683 -7.985 1.00 0.00 O ATOM 0 H GLN A 96 -7.835 -20.975 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.729 -20.438 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.733 -20.896 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.238 -22.572 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.930 -22.622 -8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.666 -20.890 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.295 -23.652 -6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.631 -23.089 -6.398 1.00 0.00 H new TER 1489 GLN A 96