USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 739 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 79 ASN : amide:sc= -3.44! C(o=-3!,f=-1!) USER MOD Set 1.2: A 84 SER OG : rot -100:sc= 0.472 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 159:sc= -0.0404 (180deg=-0.531) USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.161 X(o=-0.2,f=-0.04) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -127:sc= -8.51! (180deg=-9.96!) USER MOD Set 3.2: A 64 HIS : no HD1:sc= 0 X(o=-8.5,f=-9) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= -0.0548 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Set 5.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 7 SER OG : rot 70:sc= -0.571 USER MOD Set 6.2: A 25 GLN : amide:sc= -1.04 K(o=-1.6,f=-2.2) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 17 SER OG : rot -96:sc= 1.26 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.42 (180deg=-1.05) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.641 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc=-0.00766 (180deg=-0.244) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 152:sc= 0.821 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= -2.39 (180deg=-2.42) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -133:sc= -0.0132 (180deg=-0.651) USER MOD Single : A 54 GLN : amide:sc= -0.114 K(o=-0.11,f=-4.3!) USER MOD Single : A 56 ASN : amide:sc= -0.892 K(o=-0.89,f=-0.086) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0126) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -173:sc= -0.175 (180deg=-0.222) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc=-0.00244 K(o=-0.0024,f=-1.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 170:sc= 0 USER MOD Single : A 89 TYR OH : rot -122:sc= 0.0525 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 93 MET CE :methyl -149:sc= -0.907 (180deg=-3.81!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 9.391 11.105 -4.792 1.00 0.00 N ATOM 66 CA PRO A 5 9.419 9.639 -5.135 1.00 0.00 C ATOM 67 C PRO A 5 8.620 8.786 -4.131 1.00 0.00 C ATOM 68 O PRO A 5 7.923 9.327 -3.272 1.00 0.00 O ATOM 69 CB PRO A 5 10.918 9.281 -5.106 1.00 0.00 C ATOM 70 CG PRO A 5 11.648 10.569 -5.328 1.00 0.00 C ATOM 71 CD PRO A 5 10.751 11.691 -4.798 1.00 0.00 C ATOM 0 HA PRO A 5 8.952 9.438 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.195 8.834 -4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.162 8.554 -5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.606 10.563 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.861 10.714 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.054 12.003 -3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.800 12.574 -5.436 1.00 0.00 H new ATOM 79 N PRO A 6 8.706 7.473 -4.222 1.00 0.00 N ATOM 80 CA PRO A 6 7.969 6.539 -3.309 1.00 0.00 C ATOM 81 C PRO A 6 8.221 6.786 -1.823 1.00 0.00 C ATOM 82 O PRO A 6 9.311 7.182 -1.410 1.00 0.00 O ATOM 83 CB PRO A 6 8.492 5.156 -3.730 1.00 0.00 C ATOM 84 CG PRO A 6 8.835 5.333 -5.156 1.00 0.00 C ATOM 85 CD PRO A 6 9.484 6.713 -5.216 1.00 0.00 C ATOM 0 HA PRO A 6 6.891 6.664 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.361 4.860 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.736 4.383 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.518 4.556 -5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.949 5.282 -5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.543 6.675 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.412 7.153 -6.211 1.00 0.00 H new ATOM 93 N SER A 7 7.169 6.558 -1.039 1.00 0.00 N ATOM 94 CA SER A 7 7.201 6.758 0.410 1.00 0.00 C ATOM 95 C SER A 7 6.472 5.596 1.106 1.00 0.00 C ATOM 96 O SER A 7 5.579 5.804 1.928 1.00 0.00 O ATOM 97 CB SER A 7 6.513 8.101 0.712 1.00 0.00 C ATOM 98 OG SER A 7 7.446 8.982 1.326 1.00 0.00 O ATOM 0 H SER A 7 6.269 6.229 -1.390 1.00 0.00 H new ATOM 0 HA SER A 7 8.226 6.779 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.131 8.542 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.657 7.944 1.369 1.00 0.00 H new ATOM 0 HG SER A 7 8.119 9.256 0.668 1.00 0.00 H new ATOM 104 N ILE A 8 6.834 4.368 0.747 1.00 0.00 N ATOM 105 CA ILE A 8 6.177 3.185 1.306 1.00 0.00 C ATOM 106 C ILE A 8 7.196 2.231 1.903 1.00 0.00 C ATOM 107 O ILE A 8 8.165 1.842 1.251 1.00 0.00 O ATOM 108 CB ILE A 8 5.404 2.468 0.197 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.578 3.486 -0.626 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.493 1.385 0.795 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.263 3.839 0.056 1.00 0.00 C ATOM 0 H ILE A 8 7.574 4.164 0.076 1.00 0.00 H new ATOM 0 HA ILE A 8 5.497 3.505 2.095 1.00 0.00 H new ATOM 0 HB ILE A 8 6.117 1.985 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.164 4.393 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.374 3.073 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.950 0.884 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.099 0.657 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.783 1.845 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.716 4.556 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.664 2.937 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.466 4.277 1.033 1.00 0.00 H new ATOM 123 N HIS A 9 6.951 1.843 3.143 1.00 0.00 N ATOM 124 CA HIS A 9 7.825 0.908 3.846 1.00 0.00 C ATOM 125 C HIS A 9 7.018 -0.309 4.284 1.00 0.00 C ATOM 126 O HIS A 9 6.115 -0.194 5.111 1.00 0.00 O ATOM 127 CB HIS A 9 8.409 1.603 5.075 1.00 0.00 C ATOM 128 CG HIS A 9 9.390 2.656 4.644 1.00 0.00 C ATOM 129 ND1 HIS A 9 8.997 3.965 4.406 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.744 2.626 4.405 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.087 4.660 4.040 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.181 3.891 4.022 1.00 0.00 N ATOM 0 H HIS A 9 6.151 2.161 3.690 1.00 0.00 H new ATOM 0 HA HIS A 9 8.631 0.587 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.610 2.055 5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.903 0.873 5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.373 1.753 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.081 5.711 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.131 4.171 3.780 1.00 0.00 H new ATOM 140 N GLY A 10 7.334 -1.478 3.722 1.00 0.00 N ATOM 141 CA GLY A 10 6.603 -2.700 4.067 1.00 0.00 C ATOM 142 C GLY A 10 7.299 -3.472 5.174 1.00 0.00 C ATOM 143 O GLY A 10 8.525 -3.460 5.287 1.00 0.00 O ATOM 0 H GLY A 10 8.079 -1.604 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.591 -2.443 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.511 -3.332 3.184 1.00 0.00 H new ATOM 147 N GLN A 11 6.498 -4.138 5.994 1.00 0.00 N ATOM 148 CA GLN A 11 7.025 -4.919 7.109 1.00 0.00 C ATOM 149 C GLN A 11 6.008 -5.994 7.498 1.00 0.00 C ATOM 150 O GLN A 11 4.815 -5.702 7.578 1.00 0.00 O ATOM 151 CB GLN A 11 7.283 -3.981 8.298 1.00 0.00 C ATOM 152 CG GLN A 11 8.187 -4.660 9.328 1.00 0.00 C ATOM 153 CD GLN A 11 8.520 -3.679 10.446 1.00 0.00 C ATOM 154 OE1 GLN A 11 7.698 -2.829 10.787 1.00 0.00 O ATOM 155 NE2 GLN A 11 9.672 -3.752 11.054 1.00 0.00 N ATOM 0 H GLN A 11 5.482 -4.154 5.910 1.00 0.00 H new ATOM 0 HA GLN A 11 7.959 -5.401 6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.748 -3.060 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.337 -3.704 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.690 -5.539 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.103 -5.006 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.354 -4.456 10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.891 -3.105 11.811 1.00 0.00 H new ATOM 164 N PRO A 12 6.419 -7.226 7.731 1.00 0.00 N ATOM 165 CA PRO A 12 5.457 -8.299 8.104 1.00 0.00 C ATOM 166 C PRO A 12 4.928 -8.108 9.524 1.00 0.00 C ATOM 167 O PRO A 12 5.643 -8.329 10.500 1.00 0.00 O ATOM 168 CB PRO A 12 6.285 -9.589 7.993 1.00 0.00 C ATOM 169 CG PRO A 12 7.698 -9.159 8.228 1.00 0.00 C ATOM 170 CD PRO A 12 7.806 -7.732 7.676 1.00 0.00 C ATOM 0 HA PRO A 12 4.574 -8.306 7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.968 -10.327 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.170 -10.049 7.012 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.942 -9.185 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.397 -9.826 7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.479 -7.121 8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.194 -7.726 6.657 1.00 0.00 H new ATOM 178 N SER A 13 3.668 -7.708 9.629 1.00 0.00 N ATOM 179 CA SER A 13 3.057 -7.508 10.935 1.00 0.00 C ATOM 180 C SER A 13 2.671 -8.856 11.527 1.00 0.00 C ATOM 181 O SER A 13 3.405 -9.428 12.333 1.00 0.00 O ATOM 182 CB SER A 13 1.812 -6.633 10.800 1.00 0.00 C ATOM 183 OG SER A 13 1.039 -6.728 11.990 1.00 0.00 O ATOM 0 H SER A 13 3.056 -7.518 8.836 1.00 0.00 H new ATOM 0 HA SER A 13 3.772 -7.012 11.592 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.099 -5.597 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.220 -6.952 9.942 1.00 0.00 H new ATOM 0 HG SER A 13 0.240 -6.166 11.907 1.00 0.00 H new ATOM 189 N SER A 14 1.522 -9.366 11.100 1.00 0.00 N ATOM 190 CA SER A 14 1.038 -10.661 11.571 1.00 0.00 C ATOM 191 C SER A 14 0.349 -11.392 10.424 1.00 0.00 C ATOM 192 O SER A 14 -0.460 -10.806 9.705 1.00 0.00 O ATOM 193 CB SER A 14 0.047 -10.457 12.716 1.00 0.00 C ATOM 194 OG SER A 14 0.664 -9.698 13.748 1.00 0.00 O ATOM 0 H SER A 14 0.908 -8.904 10.429 1.00 0.00 H new ATOM 0 HA SER A 14 1.881 -11.253 11.928 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.843 -9.942 12.354 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.279 -11.422 13.105 1.00 0.00 H new ATOM 0 HG SER A 14 0.028 -9.566 14.482 1.00 0.00 H new ATOM 200 N GLY A 15 0.671 -12.670 10.262 1.00 0.00 N ATOM 201 CA GLY A 15 0.070 -13.466 9.200 1.00 0.00 C ATOM 202 C GLY A 15 0.636 -13.092 7.830 1.00 0.00 C ATOM 203 O GLY A 15 1.814 -12.759 7.699 1.00 0.00 O ATOM 0 H GLY A 15 1.339 -13.173 10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.248 -14.524 9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.010 -13.319 9.201 1.00 0.00 H new ATOM 207 N LYS A 16 -0.218 -13.163 6.815 1.00 0.00 N ATOM 208 CA LYS A 16 0.185 -12.848 5.444 1.00 0.00 C ATOM 209 C LYS A 16 0.026 -11.363 5.165 1.00 0.00 C ATOM 210 O LYS A 16 0.371 -10.885 4.087 1.00 0.00 O ATOM 211 CB LYS A 16 -0.664 -13.672 4.465 1.00 0.00 C ATOM 212 CG LYS A 16 -0.894 -15.076 5.058 1.00 0.00 C ATOM 213 CD LYS A 16 -1.173 -16.115 3.952 1.00 0.00 C ATOM 214 CE LYS A 16 -2.642 -16.062 3.506 1.00 0.00 C ATOM 215 NZ LYS A 16 -2.836 -14.927 2.564 1.00 0.00 N ATOM 0 H LYS A 16 -1.196 -13.436 6.913 1.00 0.00 H new ATOM 0 HA LYS A 16 1.237 -13.102 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.619 -13.178 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.160 -13.748 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.018 -15.379 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.734 -15.046 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.523 -15.926 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.936 -17.114 4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.921 -16.999 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.292 -15.944 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.619 -14.329 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.964 -14.362 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.061 -15.296 1.618 1.00 0.00 H new ATOM 229 N SER A 17 -0.502 -10.636 6.137 1.00 0.00 N ATOM 230 CA SER A 17 -0.697 -9.207 5.969 1.00 0.00 C ATOM 231 C SER A 17 0.642 -8.471 5.996 1.00 0.00 C ATOM 232 O SER A 17 1.559 -8.867 6.717 1.00 0.00 O ATOM 233 CB SER A 17 -1.602 -8.672 7.079 1.00 0.00 C ATOM 234 OG SER A 17 -0.907 -8.720 8.317 1.00 0.00 O ATOM 0 H SER A 17 -0.800 -11.007 7.039 1.00 0.00 H new ATOM 0 HA SER A 17 -1.168 -9.035 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.902 -7.648 6.857 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.514 -9.266 7.138 1.00 0.00 H new ATOM 0 HG SER A 17 -1.141 -9.545 8.792 1.00 0.00 H new ATOM 240 N PHE A 18 0.746 -7.396 5.208 1.00 0.00 N ATOM 241 CA PHE A 18 1.975 -6.593 5.144 1.00 0.00 C ATOM 242 C PHE A 18 1.661 -5.155 5.549 1.00 0.00 C ATOM 243 O PHE A 18 0.773 -4.522 4.976 1.00 0.00 O ATOM 244 CB PHE A 18 2.552 -6.629 3.699 1.00 0.00 C ATOM 245 CG PHE A 18 4.047 -6.927 3.707 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.539 -8.079 4.338 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.943 -6.050 3.076 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.917 -8.345 4.336 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.313 -6.317 3.074 1.00 0.00 C ATOM 250 CZ PHE A 18 6.802 -7.461 3.706 1.00 0.00 C ATOM 0 H PHE A 18 -0.005 -7.060 4.605 1.00 0.00 H new ATOM 0 HA PHE A 18 2.717 -7.004 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.031 -7.388 3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.372 -5.672 3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.858 -8.761 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.569 -5.162 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.296 -9.233 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.995 -5.638 2.583 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.863 -7.665 3.709 1.00 0.00 H new ATOM 260 N LYS A 19 2.393 -4.642 6.528 1.00 0.00 N ATOM 261 CA LYS A 19 2.181 -3.277 6.991 1.00 0.00 C ATOM 262 C LYS A 19 2.968 -2.290 6.142 1.00 0.00 C ATOM 263 O LYS A 19 4.182 -2.156 6.301 1.00 0.00 O ATOM 264 CB LYS A 19 2.630 -3.152 8.452 1.00 0.00 C ATOM 265 CG LYS A 19 2.310 -1.734 8.997 1.00 0.00 C ATOM 266 CD LYS A 19 3.579 -1.032 9.485 1.00 0.00 C ATOM 267 CE LYS A 19 3.205 0.371 9.947 1.00 0.00 C ATOM 268 NZ LYS A 19 2.312 0.284 11.138 1.00 0.00 N ATOM 0 H LYS A 19 3.134 -5.146 7.015 1.00 0.00 H new ATOM 0 HA LYS A 19 1.119 -3.047 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.127 -3.904 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.700 -3.345 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.839 -1.138 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.594 -1.809 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.032 -1.592 10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.317 -0.984 8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.104 0.935 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.703 0.908 9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.342 1.183 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.337 0.096 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.633 -0.487 11.757 1.00 0.00 H new ATOM 282 N LEU A 20 2.268 -1.583 5.252 1.00 0.00 N ATOM 283 CA LEU A 20 2.913 -0.589 4.395 1.00 0.00 C ATOM 284 C LEU A 20 2.677 0.803 4.979 1.00 0.00 C ATOM 285 O LEU A 20 1.618 1.398 4.782 1.00 0.00 O ATOM 286 CB LEU A 20 2.350 -0.636 2.956 1.00 0.00 C ATOM 287 CG LEU A 20 1.993 -2.073 2.539 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.105 -2.026 1.294 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.261 -2.856 2.205 1.00 0.00 C ATOM 0 H LEU A 20 1.263 -1.680 5.107 1.00 0.00 H new ATOM 0 HA LEU A 20 3.979 -0.812 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.463 -0.006 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.085 -0.226 2.263 1.00 0.00 H new ATOM 0 HG LEU A 20 1.472 -2.562 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.848 -3.041 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.193 -1.472 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.640 -1.531 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.995 -3.871 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.785 -2.367 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.909 -2.890 3.081 1.00 0.00 H new ATOM 301 N SER A 21 3.654 1.304 5.718 1.00 0.00 N ATOM 302 CA SER A 21 3.527 2.613 6.339 1.00 0.00 C ATOM 303 C SER A 21 3.626 3.714 5.296 1.00 0.00 C ATOM 304 O SER A 21 4.651 3.843 4.624 1.00 0.00 O ATOM 305 CB SER A 21 4.635 2.798 7.375 1.00 0.00 C ATOM 306 OG SER A 21 4.469 4.053 8.024 1.00 0.00 O ATOM 0 H SER A 21 4.537 0.828 5.902 1.00 0.00 H new ATOM 0 HA SER A 21 2.552 2.674 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.603 1.991 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.611 2.752 6.892 1.00 0.00 H new ATOM 0 HG SER A 21 5.178 4.173 8.690 1.00 0.00 H new ATOM 312 N ILE A 22 2.576 4.529 5.174 1.00 0.00 N ATOM 313 CA ILE A 22 2.608 5.624 4.219 1.00 0.00 C ATOM 314 C ILE A 22 3.403 6.760 4.863 1.00 0.00 C ATOM 315 O ILE A 22 3.019 7.262 5.919 1.00 0.00 O ATOM 316 CB ILE A 22 1.177 6.117 3.891 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.156 4.969 3.951 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.152 6.714 2.482 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.445 3.880 2.911 1.00 0.00 C ATOM 0 H ILE A 22 1.714 4.451 5.714 1.00 0.00 H new ATOM 0 HA ILE A 22 3.066 5.293 3.287 1.00 0.00 H new ATOM 0 HB ILE A 22 0.906 6.866 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.166 4.528 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.846 5.367 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.145 7.061 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.845 7.553 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.448 5.954 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.303 3.091 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.408 4.313 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.435 3.461 3.089 1.00 0.00 H new ATOM 331 N THR A 23 4.513 7.159 4.251 1.00 0.00 N ATOM 332 CA THR A 23 5.327 8.230 4.822 1.00 0.00 C ATOM 333 C THR A 23 4.790 9.580 4.379 1.00 0.00 C ATOM 334 O THR A 23 4.581 9.815 3.191 1.00 0.00 O ATOM 335 CB THR A 23 6.794 8.068 4.396 1.00 0.00 C ATOM 336 OG1 THR A 23 7.335 6.903 5.003 1.00 0.00 O ATOM 337 CG2 THR A 23 7.606 9.291 4.835 1.00 0.00 C ATOM 0 H THR A 23 4.866 6.768 3.378 1.00 0.00 H new ATOM 0 HA THR A 23 5.277 8.173 5.909 1.00 0.00 H new ATOM 0 HB THR A 23 6.842 7.976 3.311 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.271 6.797 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.645 9.167 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.195 10.187 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.557 9.390 5.919 1.00 0.00 H new ATOM 345 N LYS A 24 4.557 10.460 5.343 1.00 0.00 N ATOM 346 CA LYS A 24 4.039 11.775 5.028 1.00 0.00 C ATOM 347 C LYS A 24 4.922 12.433 3.972 1.00 0.00 C ATOM 348 O LYS A 24 6.084 12.765 4.203 1.00 0.00 O ATOM 349 CB LYS A 24 3.889 12.628 6.313 1.00 0.00 C ATOM 350 CG LYS A 24 5.202 13.301 6.751 1.00 0.00 C ATOM 351 CD LYS A 24 6.289 12.252 7.057 1.00 0.00 C ATOM 352 CE LYS A 24 5.879 11.382 8.258 1.00 0.00 C ATOM 353 NZ LYS A 24 5.197 12.219 9.288 1.00 0.00 N ATOM 0 H LYS A 24 4.717 10.287 6.335 1.00 0.00 H new ATOM 0 HA LYS A 24 3.038 11.687 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.133 13.395 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.526 11.994 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.550 13.971 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.023 13.912 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.450 11.622 6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.235 12.751 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.214 10.584 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.759 10.906 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.241 11.740 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.671 13.142 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.202 12.359 9.018 1.00 0.00 H new ATOM 367 N GLN A 25 4.351 12.573 2.787 1.00 0.00 N ATOM 368 CA GLN A 25 5.053 13.155 1.647 1.00 0.00 C ATOM 369 C GLN A 25 4.783 14.657 1.576 1.00 0.00 C ATOM 370 O GLN A 25 3.911 15.171 2.274 1.00 0.00 O ATOM 371 CB GLN A 25 4.569 12.475 0.357 1.00 0.00 C ATOM 372 CG GLN A 25 5.223 11.081 0.207 1.00 0.00 C ATOM 373 CD GLN A 25 6.549 11.194 -0.539 1.00 0.00 C ATOM 374 OE1 GLN A 25 7.593 11.426 0.072 1.00 0.00 O ATOM 375 NE2 GLN A 25 6.568 11.034 -1.834 1.00 0.00 N ATOM 0 H GLN A 25 3.392 12.289 2.585 1.00 0.00 H new ATOM 0 HA GLN A 25 6.125 12.999 1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.484 12.375 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.817 13.095 -0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.388 10.642 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.551 10.413 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.702 10.842 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.449 11.101 -2.343 1.00 0.00 H new ATOM 384 N ASP A 26 5.534 15.354 0.726 1.00 0.00 N ATOM 385 CA ASP A 26 5.355 16.796 0.580 1.00 0.00 C ATOM 386 C ASP A 26 3.895 17.119 0.271 1.00 0.00 C ATOM 387 O ASP A 26 3.487 18.279 0.296 1.00 0.00 O ATOM 388 CB ASP A 26 6.251 17.328 -0.533 1.00 0.00 C ATOM 389 CG ASP A 26 6.284 18.850 -0.486 1.00 0.00 C ATOM 390 OD1 ASP A 26 7.051 19.387 0.297 1.00 0.00 O ATOM 391 OD2 ASP A 26 5.545 19.458 -1.237 1.00 0.00 O ATOM 0 H ASP A 26 6.262 14.951 0.136 1.00 0.00 H new ATOM 0 HA ASP A 26 5.632 17.277 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.260 16.930 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.881 16.993 -1.502 1.00 0.00 H new ATOM 396 N ASP A 27 3.119 16.071 0.003 1.00 0.00 N ATOM 397 CA ASP A 27 1.691 16.204 -0.283 1.00 0.00 C ATOM 398 C ASP A 27 1.391 17.294 -1.308 1.00 0.00 C ATOM 399 O ASP A 27 0.358 17.959 -1.236 1.00 0.00 O ATOM 400 CB ASP A 27 0.934 16.479 1.021 1.00 0.00 C ATOM 401 CG ASP A 27 1.264 17.870 1.556 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.112 18.827 0.815 1.00 0.00 O ATOM 403 OD2 ASP A 27 1.651 17.956 2.709 1.00 0.00 O ATOM 0 H ASP A 27 3.460 15.110 -0.022 1.00 0.00 H new ATOM 0 HA ASP A 27 1.356 15.264 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.139 16.396 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.196 15.727 1.765 1.00 0.00 H new ATOM 408 N GLY A 28 2.284 17.454 -2.273 1.00 0.00 N ATOM 409 CA GLY A 28 2.094 18.447 -3.327 1.00 0.00 C ATOM 410 C GLY A 28 2.094 19.872 -2.774 1.00 0.00 C ATOM 411 O GLY A 28 2.186 20.836 -3.536 1.00 0.00 O ATOM 0 H GLY A 28 3.145 16.913 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.886 18.345 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.151 18.256 -3.840 1.00 0.00 H new ATOM 415 N GLY A 29 1.990 20.005 -1.448 1.00 0.00 N ATOM 416 CA GLY A 29 1.977 21.323 -0.805 1.00 0.00 C ATOM 417 C GLY A 29 0.633 21.599 -0.140 1.00 0.00 C ATOM 418 O GLY A 29 0.406 22.690 0.381 1.00 0.00 O ATOM 0 H GLY A 29 1.914 19.220 -0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.772 21.375 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.184 22.094 -1.547 1.00 0.00 H new ATOM 422 N ALA A 30 -0.265 20.608 -0.159 1.00 0.00 N ATOM 423 CA ALA A 30 -1.589 20.770 0.453 1.00 0.00 C ATOM 424 C ALA A 30 -1.910 19.572 1.355 1.00 0.00 C ATOM 425 O ALA A 30 -1.399 18.474 1.133 1.00 0.00 O ATOM 426 CB ALA A 30 -2.642 20.904 -0.655 1.00 0.00 C ATOM 0 H ALA A 30 -0.103 19.696 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.596 21.669 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.628 21.025 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.414 21.774 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.633 20.008 -1.276 1.00 0.00 H new ATOM 432 N PRO A 31 -2.726 19.757 2.369 1.00 0.00 N ATOM 433 CA PRO A 31 -3.090 18.653 3.312 1.00 0.00 C ATOM 434 C PRO A 31 -3.958 17.592 2.637 1.00 0.00 C ATOM 435 O PRO A 31 -4.791 17.905 1.785 1.00 0.00 O ATOM 436 CB PRO A 31 -3.843 19.374 4.439 1.00 0.00 C ATOM 437 CG PRO A 31 -4.416 20.590 3.792 1.00 0.00 C ATOM 438 CD PRO A 31 -3.391 21.023 2.742 1.00 0.00 C ATOM 0 HA PRO A 31 -2.219 18.105 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.626 18.743 4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.173 19.639 5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.379 20.371 3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.584 21.380 4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.870 21.493 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.682 21.745 3.147 1.00 0.00 H new ATOM 446 N ILE A 32 -3.746 16.333 3.019 1.00 0.00 N ATOM 447 CA ILE A 32 -4.494 15.214 2.442 1.00 0.00 C ATOM 448 C ILE A 32 -5.650 14.793 3.340 1.00 0.00 C ATOM 449 O ILE A 32 -5.458 14.473 4.511 1.00 0.00 O ATOM 450 CB ILE A 32 -3.542 14.026 2.232 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.513 14.377 1.117 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.359 12.779 1.843 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.093 14.026 1.566 1.00 0.00 C ATOM 0 H ILE A 32 -3.062 16.061 3.726 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.912 15.535 1.488 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.000 13.816 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.757 13.833 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.573 15.439 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.686 11.935 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.065 12.543 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.905 12.975 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.388 14.278 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.846 14.590 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.032 12.959 1.779 1.00 0.00 H new ATOM 465 N LEU A 33 -6.840 14.766 2.760 1.00 0.00 N ATOM 466 CA LEU A 33 -8.031 14.349 3.484 1.00 0.00 C ATOM 467 C LEU A 33 -8.010 12.837 3.703 1.00 0.00 C ATOM 468 O LEU A 33 -8.405 12.342 4.759 1.00 0.00 O ATOM 469 CB LEU A 33 -9.280 14.762 2.699 1.00 0.00 C ATOM 470 CG LEU A 33 -9.200 16.258 2.363 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.402 16.645 1.500 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.200 17.087 3.655 1.00 0.00 C ATOM 0 H LEU A 33 -7.007 15.028 1.789 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.050 14.836 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.358 14.176 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.176 14.557 3.285 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.278 16.457 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.350 17.707 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.391 16.062 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.323 16.442 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.143 18.147 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.117 16.893 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.340 16.810 4.265 1.00 0.00 H new ATOM 484 N GLU A 34 -7.557 12.112 2.680 1.00 0.00 N ATOM 485 CA GLU A 34 -7.490 10.654 2.743 1.00 0.00 C ATOM 486 C GLU A 34 -6.528 10.108 1.695 1.00 0.00 C ATOM 487 O GLU A 34 -6.066 10.833 0.814 1.00 0.00 O ATOM 488 CB GLU A 34 -8.877 10.049 2.493 1.00 0.00 C ATOM 489 CG GLU A 34 -9.587 10.838 1.391 1.00 0.00 C ATOM 490 CD GLU A 34 -10.937 10.197 1.082 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.645 9.874 2.021 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.239 10.034 -0.088 1.00 0.00 O ATOM 0 H GLU A 34 -7.232 12.511 1.799 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.135 10.381 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.782 9.003 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.466 10.073 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.729 11.872 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.971 10.860 0.492 1.00 0.00 H new ATOM 499 N TYR A 35 -6.247 8.807 1.803 1.00 0.00 N ATOM 500 CA TYR A 35 -5.352 8.124 0.870 1.00 0.00 C ATOM 501 C TYR A 35 -6.102 7.034 0.107 1.00 0.00 C ATOM 502 O TYR A 35 -6.641 6.105 0.705 1.00 0.00 O ATOM 503 CB TYR A 35 -4.204 7.465 1.654 1.00 0.00 C ATOM 504 CG TYR A 35 -3.130 8.474 1.996 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.425 9.559 2.828 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.830 8.316 1.493 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.425 10.485 3.155 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.833 9.239 1.827 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.130 10.321 2.656 1.00 0.00 C ATOM 510 OH TYR A 35 -0.139 11.221 2.990 1.00 0.00 O ATOM 0 H TYR A 35 -6.629 8.204 2.532 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.964 8.859 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.593 7.019 2.569 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.773 6.656 1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.424 9.683 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.599 7.481 0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.655 11.326 3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.168 9.114 1.442 1.00 0.00 H new ATOM 0 HH TYR A 35 0.701 10.958 2.559 1.00 0.00 H new ATOM 520 N ILE A 36 -6.092 7.134 -1.215 1.00 0.00 N ATOM 521 CA ILE A 36 -6.727 6.125 -2.056 1.00 0.00 C ATOM 522 C ILE A 36 -5.675 5.099 -2.436 1.00 0.00 C ATOM 523 O ILE A 36 -4.765 5.387 -3.211 1.00 0.00 O ATOM 524 CB ILE A 36 -7.294 6.762 -3.322 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.352 7.796 -2.924 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.926 5.671 -4.201 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.802 8.590 -4.153 1.00 0.00 C ATOM 0 H ILE A 36 -5.654 7.899 -1.728 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.546 5.656 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.500 7.254 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.208 7.296 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.945 8.473 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.332 6.123 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.167 4.936 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.728 5.179 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.554 9.322 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.945 9.105 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.228 7.909 -4.890 1.00 0.00 H new ATOM 539 N VAL A 37 -5.792 3.908 -1.866 1.00 0.00 N ATOM 540 CA VAL A 37 -4.835 2.839 -2.118 1.00 0.00 C ATOM 541 C VAL A 37 -5.469 1.717 -2.917 1.00 0.00 C ATOM 542 O VAL A 37 -6.514 1.184 -2.543 1.00 0.00 O ATOM 543 CB VAL A 37 -4.351 2.295 -0.778 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.341 1.171 -1.029 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.706 3.445 0.032 1.00 0.00 C ATOM 0 H VAL A 37 -6.543 3.657 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.001 3.238 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.187 1.892 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.990 0.777 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.819 0.373 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.494 1.562 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.358 3.063 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.862 3.853 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.443 4.230 0.200 1.00 0.00 H new ATOM 555 N LYS A 38 -4.824 1.351 -4.022 1.00 0.00 N ATOM 556 CA LYS A 38 -5.332 0.278 -4.873 1.00 0.00 C ATOM 557 C LYS A 38 -4.257 -0.783 -5.069 1.00 0.00 C ATOM 558 O LYS A 38 -3.095 -0.462 -5.269 1.00 0.00 O ATOM 559 CB LYS A 38 -5.745 0.842 -6.233 1.00 0.00 C ATOM 560 CG LYS A 38 -6.881 1.856 -6.055 1.00 0.00 C ATOM 561 CD LYS A 38 -7.304 2.418 -7.426 1.00 0.00 C ATOM 562 CE LYS A 38 -8.382 1.525 -8.052 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.685 1.789 -7.376 1.00 0.00 N ATOM 0 H LYS A 38 -3.956 1.777 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.200 -0.172 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.891 1.320 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.067 0.033 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.733 1.379 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.556 2.668 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.684 3.433 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.439 2.475 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.464 1.727 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.109 0.475 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.200 0.894 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.512 2.219 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.253 2.438 -7.957 1.00 0.00 H new ATOM 577 N TYR A 39 -4.646 -2.054 -5.014 1.00 0.00 N ATOM 578 CA TYR A 39 -3.681 -3.143 -5.189 1.00 0.00 C ATOM 579 C TYR A 39 -4.285 -4.302 -5.975 1.00 0.00 C ATOM 580 O TYR A 39 -5.490 -4.551 -5.916 1.00 0.00 O ATOM 581 CB TYR A 39 -3.228 -3.653 -3.819 1.00 0.00 C ATOM 582 CG TYR A 39 -4.435 -4.092 -3.026 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.233 -3.133 -2.391 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.759 -5.448 -2.935 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.356 -3.532 -1.663 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.886 -5.847 -2.202 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.684 -4.888 -1.565 1.00 0.00 C ATOM 588 OH TYR A 39 -7.797 -5.276 -0.850 1.00 0.00 O ATOM 0 H TYR A 39 -5.607 -2.356 -4.852 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.831 -2.751 -5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.535 -4.486 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.693 -2.868 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.980 -2.085 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.144 -6.186 -3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.972 -2.792 -1.175 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.139 -6.894 -2.129 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.883 -6.252 -0.882 1.00 0.00 H new ATOM 598 N ARG A 40 -3.423 -5.024 -6.691 1.00 0.00 N ATOM 599 CA ARG A 40 -3.843 -6.183 -7.478 1.00 0.00 C ATOM 600 C ARG A 40 -2.766 -7.255 -7.434 1.00 0.00 C ATOM 601 O ARG A 40 -1.685 -7.023 -6.905 1.00 0.00 O ATOM 602 CB ARG A 40 -4.103 -5.796 -8.938 1.00 0.00 C ATOM 603 CG ARG A 40 -2.831 -5.209 -9.587 1.00 0.00 C ATOM 604 CD ARG A 40 -2.920 -5.378 -11.105 1.00 0.00 C ATOM 605 NE ARG A 40 -1.773 -4.764 -11.764 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.591 -5.374 -11.793 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.441 -6.527 -11.203 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.414 -4.833 -12.423 1.00 0.00 N ATOM 0 H ARG A 40 -2.424 -4.825 -6.742 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.768 -6.564 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.431 -6.672 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.911 -5.066 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.731 -4.154 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.945 -5.715 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.964 -6.438 -11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.841 -4.925 -11.472 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.879 -3.853 -12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.229 -6.959 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.464 -6.997 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.296 -3.938 -12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.318 -5.305 -12.442 1.00 0.00 H new ATOM 622 N SER A 41 -3.060 -8.415 -8.009 1.00 0.00 N ATOM 623 CA SER A 41 -2.094 -9.508 -8.043 1.00 0.00 C ATOM 624 C SER A 41 -1.079 -9.282 -9.161 1.00 0.00 C ATOM 625 O SER A 41 -1.390 -8.649 -10.171 1.00 0.00 O ATOM 626 CB SER A 41 -2.827 -10.832 -8.265 1.00 0.00 C ATOM 627 OG SER A 41 -3.050 -11.024 -9.655 1.00 0.00 O ATOM 0 H SER A 41 -3.953 -8.623 -8.455 1.00 0.00 H new ATOM 0 HA SER A 41 -1.563 -9.543 -7.092 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.239 -11.657 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.777 -10.828 -7.731 1.00 0.00 H new ATOM 0 HG SER A 41 -3.088 -11.983 -9.851 1.00 0.00 H new ATOM 633 N LYS A 42 0.136 -9.792 -8.977 1.00 0.00 N ATOM 634 CA LYS A 42 1.181 -9.626 -9.986 1.00 0.00 C ATOM 635 C LYS A 42 0.949 -10.542 -11.185 1.00 0.00 C ATOM 636 O LYS A 42 1.833 -10.693 -12.028 1.00 0.00 O ATOM 637 CB LYS A 42 2.572 -9.909 -9.381 1.00 0.00 C ATOM 638 CG LYS A 42 3.086 -8.673 -8.641 1.00 0.00 C ATOM 639 CD LYS A 42 4.535 -8.889 -8.213 1.00 0.00 C ATOM 640 CE LYS A 42 5.029 -7.637 -7.488 1.00 0.00 C ATOM 641 NZ LYS A 42 6.448 -7.824 -7.079 1.00 0.00 N ATOM 0 H LYS A 42 0.420 -10.317 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 42 1.141 -8.592 -10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.514 -10.754 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.271 -10.186 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.015 -7.797 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.465 -8.477 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.609 -9.758 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.159 -9.091 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.939 -6.768 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.410 -7.444 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.772 -6.985 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.526 -8.663 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.039 -7.954 -7.925 1.00 0.00 H new ATOM 655 N ASP A 43 -0.240 -11.141 -11.267 1.00 0.00 N ATOM 656 CA ASP A 43 -0.571 -12.031 -12.383 1.00 0.00 C ATOM 657 C ASP A 43 -1.874 -11.601 -13.050 1.00 0.00 C ATOM 658 O ASP A 43 -2.026 -11.730 -14.264 1.00 0.00 O ATOM 659 CB ASP A 43 -0.702 -13.473 -11.888 1.00 0.00 C ATOM 660 CG ASP A 43 0.656 -13.992 -11.429 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.437 -13.196 -10.934 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.897 -15.179 -11.581 1.00 0.00 O ATOM 0 H ASP A 43 -0.985 -11.028 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 43 0.235 -11.971 -13.114 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.416 -13.520 -11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.092 -14.106 -12.685 1.00 0.00 H new ATOM 667 N LYS A 44 -2.814 -11.098 -12.247 1.00 0.00 N ATOM 668 CA LYS A 44 -4.115 -10.662 -12.769 1.00 0.00 C ATOM 669 C LYS A 44 -4.175 -9.143 -12.868 1.00 0.00 C ATOM 670 O LYS A 44 -4.219 -8.434 -11.862 1.00 0.00 O ATOM 671 CB LYS A 44 -5.242 -11.187 -11.864 1.00 0.00 C ATOM 672 CG LYS A 44 -5.154 -12.720 -11.777 1.00 0.00 C ATOM 673 CD LYS A 44 -5.810 -13.375 -13.015 1.00 0.00 C ATOM 674 CE LYS A 44 -5.164 -14.734 -13.277 1.00 0.00 C ATOM 675 NZ LYS A 44 -5.956 -15.470 -14.303 1.00 0.00 N ATOM 0 H LYS A 44 -2.702 -10.982 -11.240 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.245 -11.071 -13.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.158 -10.750 -10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.212 -10.889 -12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.110 -13.026 -11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.649 -13.067 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.881 -13.495 -12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.691 -12.730 -13.886 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.138 -14.601 -13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.119 -15.311 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.517 -16.396 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.927 -15.608 -13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.977 -14.920 -15.186 1.00 0.00 H new ATOM 689 N GLU A 45 -4.168 -8.663 -14.106 1.00 0.00 N ATOM 690 CA GLU A 45 -4.214 -7.225 -14.392 1.00 0.00 C ATOM 691 C GLU A 45 -5.598 -6.818 -14.888 1.00 0.00 C ATOM 692 O GLU A 45 -5.766 -5.754 -15.483 1.00 0.00 O ATOM 693 CB GLU A 45 -3.182 -6.887 -15.469 1.00 0.00 C ATOM 694 CG GLU A 45 -1.770 -7.070 -14.910 1.00 0.00 C ATOM 695 CD GLU A 45 -0.744 -6.841 -16.015 1.00 0.00 C ATOM 696 OE1 GLU A 45 -1.156 -6.574 -17.132 1.00 0.00 O ATOM 697 OE2 GLU A 45 0.439 -6.941 -15.731 1.00 0.00 O ATOM 0 H GLU A 45 -4.131 -9.251 -14.938 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.992 -6.682 -13.473 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.325 -7.530 -16.337 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.319 -5.860 -15.807 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.599 -6.370 -14.092 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.658 -8.074 -14.500 1.00 0.00 H new ATOM 704 N ASP A 46 -6.585 -7.686 -14.675 1.00 0.00 N ATOM 705 CA ASP A 46 -7.949 -7.416 -15.139 1.00 0.00 C ATOM 706 C ASP A 46 -8.814 -6.806 -14.037 1.00 0.00 C ATOM 707 O ASP A 46 -10.007 -6.579 -14.238 1.00 0.00 O ATOM 708 CB ASP A 46 -8.590 -8.719 -15.623 1.00 0.00 C ATOM 709 CG ASP A 46 -8.845 -9.647 -14.440 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.909 -9.895 -13.698 1.00 0.00 O ATOM 711 OD2 ASP A 46 -9.970 -10.093 -14.292 1.00 0.00 O ATOM 0 H ASP A 46 -6.470 -8.575 -14.189 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.888 -6.696 -15.955 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.528 -8.504 -16.136 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.937 -9.209 -16.345 1.00 0.00 H new ATOM 716 N GLN A 47 -8.225 -6.543 -12.872 1.00 0.00 N ATOM 717 CA GLN A 47 -8.995 -5.967 -11.771 1.00 0.00 C ATOM 718 C GLN A 47 -8.099 -5.326 -10.713 1.00 0.00 C ATOM 719 O GLN A 47 -7.083 -5.895 -10.313 1.00 0.00 O ATOM 720 CB GLN A 47 -9.848 -7.060 -11.127 1.00 0.00 C ATOM 721 CG GLN A 47 -8.951 -8.226 -10.705 1.00 0.00 C ATOM 722 CD GLN A 47 -9.803 -9.380 -10.186 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.026 -9.266 -10.114 1.00 0.00 O ATOM 724 NE2 GLN A 47 -9.222 -10.488 -9.816 1.00 0.00 N ATOM 0 H GLN A 47 -7.240 -6.714 -12.668 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.628 -5.181 -12.182 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.376 -6.661 -10.261 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.606 -7.406 -11.830 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.351 -8.559 -11.552 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.256 -7.899 -9.931 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.208 -10.577 -9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.782 -11.265 -9.465 1.00 0.00 H new ATOM 733 N TRP A 48 -8.501 -4.137 -10.257 1.00 0.00 N ATOM 734 CA TRP A 48 -7.759 -3.400 -9.228 1.00 0.00 C ATOM 735 C TRP A 48 -8.655 -3.191 -8.009 1.00 0.00 C ATOM 736 O TRP A 48 -9.741 -2.622 -8.114 1.00 0.00 O ATOM 737 CB TRP A 48 -7.299 -2.040 -9.788 1.00 0.00 C ATOM 738 CG TRP A 48 -5.997 -2.176 -10.527 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.869 -2.473 -11.843 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.643 -1.993 -10.016 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.521 -2.482 -12.167 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.728 -2.193 -11.074 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.131 -1.676 -8.748 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.348 -2.078 -10.877 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.746 -1.563 -8.547 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.855 -1.763 -9.609 1.00 0.00 C ATOM 0 H TRP A 48 -9.341 -3.661 -10.586 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.880 -3.973 -8.933 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.061 -1.641 -10.457 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.186 -1.326 -8.972 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.682 -2.670 -12.526 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.159 -2.678 -13.100 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.807 -1.518 -7.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.667 -2.232 -11.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.365 -1.320 -7.566 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.791 -1.674 -9.448 1.00 0.00 H new ATOM 757 N LEU A 49 -8.182 -3.653 -6.854 1.00 0.00 N ATOM 758 CA LEU A 49 -8.933 -3.516 -5.606 1.00 0.00 C ATOM 759 C LEU A 49 -8.723 -2.125 -5.021 1.00 0.00 C ATOM 760 O LEU A 49 -7.773 -1.443 -5.387 1.00 0.00 O ATOM 761 CB LEU A 49 -8.478 -4.576 -4.600 1.00 0.00 C ATOM 762 CG LEU A 49 -8.651 -5.976 -5.207 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.128 -7.029 -4.221 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.137 -6.238 -5.513 1.00 0.00 C ATOM 0 H LEU A 49 -7.283 -4.125 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.993 -3.658 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.434 -4.412 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.060 -4.493 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.084 -6.037 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.251 -8.023 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.072 -6.848 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.690 -6.965 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.250 -7.233 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.715 -6.173 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.499 -5.493 -6.222 1.00 0.00 H new ATOM 776 N GLU A 50 -9.624 -1.691 -4.132 1.00 0.00 N ATOM 777 CA GLU A 50 -9.521 -0.351 -3.524 1.00 0.00 C ATOM 778 C GLU A 50 -9.399 -0.423 -2.000 1.00 0.00 C ATOM 779 O GLU A 50 -9.837 -1.382 -1.366 1.00 0.00 O ATOM 780 CB GLU A 50 -10.740 0.491 -3.900 1.00 0.00 C ATOM 781 CG GLU A 50 -12.013 -0.191 -3.407 1.00 0.00 C ATOM 782 CD GLU A 50 -13.227 0.627 -3.833 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.201 1.155 -4.934 1.00 0.00 O ATOM 784 OE2 GLU A 50 -14.164 0.719 -3.056 1.00 0.00 O ATOM 0 H GLU A 50 -10.426 -2.238 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.615 0.114 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.656 1.485 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.783 0.623 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.079 -1.199 -3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.989 -0.288 -2.322 1.00 0.00 H new ATOM 791 N LYS A 51 -8.791 0.623 -1.434 1.00 0.00 N ATOM 792 CA LYS A 51 -8.585 0.724 0.008 1.00 0.00 C ATOM 793 C LYS A 51 -8.414 2.200 0.360 1.00 0.00 C ATOM 794 O LYS A 51 -7.450 2.834 -0.056 1.00 0.00 O ATOM 795 CB LYS A 51 -7.342 -0.115 0.383 1.00 0.00 C ATOM 796 CG LYS A 51 -6.755 0.224 1.790 1.00 0.00 C ATOM 797 CD LYS A 51 -7.267 -0.753 2.872 1.00 0.00 C ATOM 798 CE LYS A 51 -8.707 -0.413 3.273 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.006 -1.011 4.604 1.00 0.00 N ATOM 0 H LYS A 51 -8.431 1.418 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.434 0.336 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.606 -1.172 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.569 0.040 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.666 0.185 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.027 1.244 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.221 -1.775 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.620 -0.705 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.840 0.668 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.403 -0.794 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.983 -0.781 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.895 -2.044 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.349 -0.627 5.313 1.00 0.00 H new ATOM 813 N LYS A 52 -9.359 2.744 1.122 1.00 0.00 N ATOM 814 CA LYS A 52 -9.302 4.156 1.508 1.00 0.00 C ATOM 815 C LYS A 52 -8.756 4.297 2.926 1.00 0.00 C ATOM 816 O LYS A 52 -9.071 3.491 3.803 1.00 0.00 O ATOM 817 CB LYS A 52 -10.710 4.760 1.450 1.00 0.00 C ATOM 818 CG LYS A 52 -11.352 4.481 0.084 1.00 0.00 C ATOM 819 CD LYS A 52 -10.547 5.159 -1.031 1.00 0.00 C ATOM 820 CE LYS A 52 -11.393 5.231 -2.304 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.740 3.850 -2.748 1.00 0.00 N ATOM 0 H LYS A 52 -10.167 2.237 1.483 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.642 4.681 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.327 4.338 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.660 5.835 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.396 3.406 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.378 4.848 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.251 6.161 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.630 4.601 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.301 5.804 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.844 5.750 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.562 3.758 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.156 3.162 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.745 3.665 -2.554 1.00 0.00 H new ATOM 835 N VAL A 53 -7.929 5.324 3.153 1.00 0.00 N ATOM 836 CA VAL A 53 -7.339 5.554 4.476 1.00 0.00 C ATOM 837 C VAL A 53 -7.484 7.015 4.888 1.00 0.00 C ATOM 838 O VAL A 53 -7.704 7.896 4.057 1.00 0.00 O ATOM 839 CB VAL A 53 -5.839 5.156 4.491 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.479 4.477 5.812 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.537 4.210 3.326 1.00 0.00 C ATOM 0 H VAL A 53 -7.655 6.004 2.444 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.877 4.929 5.189 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.240 6.061 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.424 4.205 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.672 5.162 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.085 3.579 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.482 3.936 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.147 3.312 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.766 4.708 2.384 1.00 0.00 H new ATOM 851 N GLN A 54 -7.337 7.250 6.181 1.00 0.00 N ATOM 852 CA GLN A 54 -7.423 8.597 6.727 1.00 0.00 C ATOM 853 C GLN A 54 -6.117 9.338 6.458 1.00 0.00 C ATOM 854 O GLN A 54 -5.046 8.732 6.423 1.00 0.00 O ATOM 855 CB GLN A 54 -7.697 8.529 8.236 1.00 0.00 C ATOM 856 CG GLN A 54 -7.881 9.938 8.805 1.00 0.00 C ATOM 857 CD GLN A 54 -9.117 10.595 8.200 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.004 11.356 7.239 1.00 0.00 O ATOM 859 NE2 GLN A 54 -10.296 10.342 8.696 1.00 0.00 N ATOM 0 H GLN A 54 -7.157 6.524 6.875 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.241 9.134 6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.590 7.934 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.870 8.030 8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.980 9.890 9.889 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.999 10.542 8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.390 9.711 9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.125 10.775 8.288 1.00 0.00 H new ATOM 868 N GLY A 55 -6.213 10.644 6.248 1.00 0.00 N ATOM 869 CA GLY A 55 -5.030 11.447 5.963 1.00 0.00 C ATOM 870 C GLY A 55 -4.142 11.605 7.193 1.00 0.00 C ATOM 871 O GLY A 55 -3.154 12.339 7.162 1.00 0.00 O ATOM 0 H GLY A 55 -7.089 11.167 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.459 10.981 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.336 12.431 5.607 1.00 0.00 H new ATOM 875 N ASN A 56 -4.498 10.915 8.275 1.00 0.00 N ATOM 876 CA ASN A 56 -3.728 10.979 9.520 1.00 0.00 C ATOM 877 C ASN A 56 -3.229 9.590 9.906 1.00 0.00 C ATOM 878 O ASN A 56 -2.336 9.452 10.743 1.00 0.00 O ATOM 879 CB ASN A 56 -4.610 11.527 10.645 1.00 0.00 C ATOM 880 CG ASN A 56 -3.760 11.818 11.877 1.00 0.00 C ATOM 881 OD1 ASN A 56 -4.192 11.576 13.004 1.00 0.00 O ATOM 882 ND2 ASN A 56 -2.568 12.331 11.729 1.00 0.00 N ATOM 0 H ASN A 56 -5.314 10.305 8.317 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.873 11.637 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.111 12.437 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.389 10.806 10.892 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.994 12.532 12.548 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.211 12.531 10.795 1.00 0.00 H new ATOM 889 N LYS A 57 -3.810 8.561 9.296 1.00 0.00 N ATOM 890 CA LYS A 57 -3.406 7.193 9.599 1.00 0.00 C ATOM 891 C LYS A 57 -1.961 6.959 9.160 1.00 0.00 C ATOM 892 O LYS A 57 -1.129 6.508 9.945 1.00 0.00 O ATOM 893 CB LYS A 57 -4.356 6.209 8.883 1.00 0.00 C ATOM 894 CG LYS A 57 -5.363 5.611 9.888 1.00 0.00 C ATOM 895 CD LYS A 57 -6.395 4.751 9.157 1.00 0.00 C ATOM 896 CE LYS A 57 -7.346 4.114 10.175 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.332 5.130 10.639 1.00 0.00 N ATOM 0 H LYS A 57 -4.551 8.646 8.600 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.466 7.027 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.891 6.724 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.779 5.410 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.835 5.008 10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.866 6.412 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.958 5.362 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.893 3.976 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.865 3.268 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.781 3.726 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.029 4.677 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.837 5.882 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.820 5.541 9.818 1.00 0.00 H new ATOM 911 N ASP A 58 -1.678 7.287 7.903 1.00 0.00 N ATOM 912 CA ASP A 58 -0.340 7.128 7.364 1.00 0.00 C ATOM 913 C ASP A 58 0.152 5.687 7.515 1.00 0.00 C ATOM 914 O ASP A 58 1.326 5.452 7.804 1.00 0.00 O ATOM 915 CB ASP A 58 0.615 8.088 8.075 1.00 0.00 C ATOM 916 CG ASP A 58 0.179 9.527 7.826 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.006 9.884 6.672 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.008 10.247 8.795 1.00 0.00 O ATOM 0 H ASP A 58 -2.359 7.663 7.243 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.367 7.361 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.624 7.881 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.632 7.938 7.713 1.00 0.00 H new ATOM 923 N HIS A 59 -0.751 4.718 7.319 1.00 0.00 N ATOM 924 CA HIS A 59 -0.399 3.297 7.442 1.00 0.00 C ATOM 925 C HIS A 59 -1.613 2.412 7.125 1.00 0.00 C ATOM 926 O HIS A 59 -2.755 2.813 7.350 1.00 0.00 O ATOM 927 CB HIS A 59 0.156 3.003 8.868 1.00 0.00 C ATOM 928 CG HIS A 59 -0.863 2.297 9.734 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.738 2.981 10.564 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.146 0.963 9.904 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.499 2.064 11.191 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.179 0.820 10.824 1.00 0.00 N ATOM 0 H HIS A 59 -1.726 4.890 7.076 1.00 0.00 H new ATOM 0 HA HIS A 59 0.382 3.063 6.718 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.053 2.389 8.789 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.451 3.939 9.343 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.643 0.150 9.400 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.274 2.305 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.602 -0.049 11.149 1.00 0.00 H new ATOM 940 N ILE A 60 -1.356 1.202 6.616 1.00 0.00 N ATOM 941 CA ILE A 60 -2.443 0.270 6.295 1.00 0.00 C ATOM 942 C ILE A 60 -1.999 -1.183 6.435 1.00 0.00 C ATOM 943 O ILE A 60 -0.826 -1.513 6.271 1.00 0.00 O ATOM 944 CB ILE A 60 -2.957 0.491 4.860 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.762 0.602 3.896 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.812 1.760 4.791 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.236 1.114 2.535 1.00 0.00 C ATOM 0 H ILE A 60 -0.420 0.849 6.420 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.244 0.469 7.007 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.576 -0.358 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.013 1.278 4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.284 -0.371 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.168 1.904 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.665 1.661 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.212 2.620 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.385 1.190 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.968 0.421 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.693 2.096 2.655 1.00 0.00 H new ATOM 959 N ILE A 61 -2.971 -2.046 6.731 1.00 0.00 N ATOM 960 CA ILE A 61 -2.716 -3.478 6.877 1.00 0.00 C ATOM 961 C ILE A 61 -3.585 -4.238 5.876 1.00 0.00 C ATOM 962 O ILE A 61 -4.810 -4.251 5.999 1.00 0.00 O ATOM 963 CB ILE A 61 -3.070 -3.917 8.301 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.385 -2.995 9.321 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.632 -5.366 8.527 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.857 -2.994 9.151 1.00 0.00 C ATOM 0 H ILE A 61 -3.944 -1.777 6.875 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.663 -3.689 6.688 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.150 -3.850 8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.765 -1.980 9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.639 -3.318 10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.888 -5.669 9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.141 -6.015 7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.554 -5.447 8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.409 -2.330 9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.475 -4.005 9.292 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.603 -2.646 8.150 1.00 0.00 H new ATOM 978 N LEU A 62 -2.948 -4.850 4.876 1.00 0.00 N ATOM 979 CA LEU A 62 -3.676 -5.588 3.839 1.00 0.00 C ATOM 980 C LEU A 62 -3.685 -7.077 4.162 1.00 0.00 C ATOM 981 O LEU A 62 -2.648 -7.713 4.161 1.00 0.00 O ATOM 982 CB LEU A 62 -2.995 -5.359 2.488 1.00 0.00 C ATOM 983 CG LEU A 62 -2.808 -3.857 2.254 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.081 -3.641 0.927 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.180 -3.164 2.212 1.00 0.00 C ATOM 0 H LEU A 62 -1.934 -4.850 4.761 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.705 -5.231 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.029 -5.864 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.598 -5.790 1.688 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.219 -3.432 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.946 -2.573 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.107 -4.129 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.671 -4.066 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.043 -2.096 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.775 -3.584 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.696 -3.320 3.159 1.00 0.00 H new ATOM 997 N GLU A 63 -4.857 -7.614 4.466 1.00 0.00 N ATOM 998 CA GLU A 63 -4.984 -9.026 4.828 1.00 0.00 C ATOM 999 C GLU A 63 -5.112 -9.934 3.604 1.00 0.00 C ATOM 1000 O GLU A 63 -5.581 -9.517 2.543 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.213 -9.211 5.719 1.00 0.00 C ATOM 1002 CG GLU A 63 -6.035 -8.413 7.013 1.00 0.00 C ATOM 1003 CD GLU A 63 -7.265 -8.571 7.898 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -8.362 -8.595 7.363 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -7.093 -8.664 9.103 1.00 0.00 O ATOM 0 H GLU A 63 -5.736 -7.097 4.471 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.074 -9.311 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.108 -8.877 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.353 -10.267 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.148 -8.759 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.877 -7.360 6.781 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.689 -11.185 3.780 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.752 -12.187 2.720 1.00 0.00 C ATOM 1014 C HIS A 64 -3.946 -11.749 1.506 1.00 0.00 C ATOM 1015 O HIS A 64 -4.499 -11.233 0.535 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.204 -12.435 2.307 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.259 -13.635 1.401 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.104 -14.927 1.879 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -6.436 -13.756 0.043 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -6.186 -15.763 0.825 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -6.385 -15.100 -0.317 1.00 0.00 N ATOM 0 H HIS A 64 -4.296 -11.530 4.656 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.324 -13.111 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.823 -12.601 3.189 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.605 -11.559 1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.591 -12.934 -0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.101 -16.837 0.895 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.479 -15.494 -1.253 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.632 -11.963 1.569 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.732 -11.594 0.469 1.00 0.00 C ATOM 1031 C LEU A 65 -1.039 -12.830 -0.099 1.00 0.00 C ATOM 1032 O LEU A 65 -0.284 -12.743 -1.068 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.676 -10.618 0.984 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.354 -9.400 1.622 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.275 -8.454 2.154 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.218 -8.668 0.581 1.00 0.00 C ATOM 0 H LEU A 65 -2.164 -12.390 2.369 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.321 -11.127 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.037 -11.113 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.033 -10.299 0.164 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.996 -9.728 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.747 -7.584 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.328 -8.972 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.364 -8.131 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.694 -7.805 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.589 -8.335 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.984 -9.345 0.203 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.287 -13.974 0.528 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.670 -15.230 0.111 1.00 0.00 C ATOM 1050 C GLN A 66 0.855 -15.108 0.132 1.00 0.00 C ATOM 1051 O GLN A 66 1.410 -14.028 -0.067 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.160 -15.655 -1.297 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.383 -16.579 -1.180 1.00 0.00 C ATOM 1054 CD GLN A 66 -2.790 -17.088 -2.559 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.168 -18.004 -3.095 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -3.815 -16.550 -3.162 1.00 0.00 N ATOM 0 H GLN A 66 -1.913 -14.059 1.329 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.970 -16.003 0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.418 -14.772 -1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.358 -16.167 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.151 -17.421 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.213 -16.040 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.329 -15.791 -2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.102 -16.889 -4.080 1.00 0.00 H new ATOM 1065 N TRP A 67 1.525 -16.225 0.403 1.00 0.00 N ATOM 1066 CA TRP A 67 2.985 -16.240 0.481 1.00 0.00 C ATOM 1067 C TRP A 67 3.622 -16.555 -0.872 1.00 0.00 C ATOM 1068 O TRP A 67 4.831 -16.388 -1.041 1.00 0.00 O ATOM 1069 CB TRP A 67 3.424 -17.306 1.482 1.00 0.00 C ATOM 1070 CG TRP A 67 2.837 -17.010 2.824 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.731 -17.606 3.317 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.295 -16.076 3.846 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.476 -17.099 4.579 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.411 -16.155 4.951 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.374 -15.180 3.927 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.596 -15.374 6.090 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.562 -14.391 5.074 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.676 -14.489 6.154 1.00 0.00 C ATOM 0 H TRP A 67 1.083 -17.129 0.572 1.00 0.00 H new ATOM 0 HA TRP A 67 3.311 -15.248 0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.103 -18.291 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.512 -17.331 1.548 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.142 -18.356 2.810 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.692 -17.388 5.164 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.065 -15.097 3.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.908 -15.452 6.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.395 -13.705 5.123 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.827 -13.882 7.034 1.00 0.00 H new ATOM 1089 N THR A 68 2.822 -17.052 -1.818 1.00 0.00 N ATOM 1090 CA THR A 68 3.342 -17.430 -3.141 1.00 0.00 C ATOM 1091 C THR A 68 2.750 -16.577 -4.256 1.00 0.00 C ATOM 1092 O THR A 68 2.938 -16.884 -5.434 1.00 0.00 O ATOM 1093 CB THR A 68 3.022 -18.899 -3.415 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.618 -19.052 -3.575 1.00 0.00 O ATOM 1095 CG2 THR A 68 3.498 -19.755 -2.239 1.00 0.00 C ATOM 0 H THR A 68 1.820 -17.202 -1.698 1.00 0.00 H new ATOM 0 HA THR A 68 4.420 -17.266 -3.128 1.00 0.00 H new ATOM 0 HB THR A 68 3.531 -19.219 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.410 -19.993 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.269 -20.802 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.574 -19.636 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.990 -19.437 -1.329 1.00 0.00 H new ATOM 1103 N MET A 69 2.042 -15.507 -3.902 1.00 0.00 N ATOM 1104 CA MET A 69 1.444 -14.632 -4.913 1.00 0.00 C ATOM 1105 C MET A 69 1.696 -13.177 -4.560 1.00 0.00 C ATOM 1106 O MET A 69 1.254 -12.690 -3.518 1.00 0.00 O ATOM 1107 CB MET A 69 -0.062 -14.891 -5.010 1.00 0.00 C ATOM 1108 CG MET A 69 -0.715 -13.867 -5.962 1.00 0.00 C ATOM 1109 SD MET A 69 -2.083 -14.668 -6.852 1.00 0.00 S ATOM 1110 CE MET A 69 -1.392 -14.538 -8.523 1.00 0.00 C ATOM 0 H MET A 69 1.869 -15.226 -2.937 1.00 0.00 H new ATOM 0 HA MET A 69 1.903 -14.847 -5.878 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.242 -15.903 -5.373 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.516 -14.821 -4.021 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.084 -13.011 -5.397 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.023 -13.488 -6.669 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.135 -14.864 -9.251 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.117 -13.502 -8.724 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.507 -15.170 -8.601 1.00 0.00 H new ATOM 1120 N GLY A 70 2.424 -12.491 -5.430 1.00 0.00 N ATOM 1121 CA GLY A 70 2.750 -11.099 -5.205 1.00 0.00 C ATOM 1122 C GLY A 70 1.561 -10.191 -5.455 1.00 0.00 C ATOM 1123 O GLY A 70 0.631 -10.542 -6.181 1.00 0.00 O ATOM 0 H GLY A 70 2.798 -12.880 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.097 -10.969 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.572 -10.809 -5.859 1.00 0.00 H new ATOM 1127 N TYR A 71 1.614 -9.009 -4.855 1.00 0.00 N ATOM 1128 CA TYR A 71 0.559 -8.013 -5.008 1.00 0.00 C ATOM 1129 C TYR A 71 1.164 -6.619 -5.142 1.00 0.00 C ATOM 1130 O TYR A 71 1.956 -6.195 -4.300 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.384 -8.039 -3.792 1.00 0.00 C ATOM 1132 CG TYR A 71 -1.338 -9.206 -3.892 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.990 -10.446 -3.346 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.574 -9.040 -4.523 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.880 -11.523 -3.433 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.464 -10.117 -4.612 1.00 0.00 C ATOM 1137 CZ TYR A 71 -3.117 -11.359 -4.068 1.00 0.00 C ATOM 1138 OH TYR A 71 -3.998 -12.418 -4.150 1.00 0.00 O ATOM 0 H TYR A 71 2.383 -8.714 -4.253 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.007 -8.252 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.198 -8.114 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.945 -7.106 -3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.035 -10.572 -2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.842 -8.081 -4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.613 -12.480 -3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.419 -9.989 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.809 -12.133 -4.621 1.00 0.00 H new ATOM 1148 N GLU A 72 0.765 -5.891 -6.183 1.00 0.00 N ATOM 1149 CA GLU A 72 1.265 -4.530 -6.379 1.00 0.00 C ATOM 1150 C GLU A 72 0.384 -3.567 -5.590 1.00 0.00 C ATOM 1151 O GLU A 72 -0.785 -3.855 -5.348 1.00 0.00 O ATOM 1152 CB GLU A 72 1.249 -4.149 -7.877 1.00 0.00 C ATOM 1153 CG GLU A 72 1.380 -5.410 -8.738 1.00 0.00 C ATOM 1154 CD GLU A 72 1.926 -5.061 -10.122 1.00 0.00 C ATOM 1155 OE1 GLU A 72 2.166 -3.890 -10.368 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.102 -5.972 -10.915 1.00 0.00 O ATOM 0 H GLU A 72 0.108 -6.213 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 72 2.295 -4.472 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.323 -3.628 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.067 -3.463 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.043 -6.124 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.408 -5.893 -8.836 1.00 0.00 H new ATOM 1163 N VAL A 73 0.947 -2.432 -5.189 1.00 0.00 N ATOM 1164 CA VAL A 73 0.194 -1.438 -4.420 1.00 0.00 C ATOM 1165 C VAL A 73 0.368 -0.055 -5.037 1.00 0.00 C ATOM 1166 O VAL A 73 1.476 0.345 -5.376 1.00 0.00 O ATOM 1167 CB VAL A 73 0.684 -1.406 -2.962 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.430 -0.879 -2.049 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.093 -2.816 -2.525 1.00 0.00 C ATOM 0 H VAL A 73 1.915 -2.175 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.860 -1.716 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 73 1.546 -0.743 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.077 -0.859 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.707 0.129 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.300 -1.532 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.440 -2.791 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.236 -3.484 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.895 -3.178 -3.168 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.732 0.674 -5.168 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.704 2.021 -5.731 1.00 0.00 C ATOM 1181 C GLN A 74 -1.314 2.998 -4.736 1.00 0.00 C ATOM 1182 O GLN A 74 -2.525 3.021 -4.516 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.468 2.032 -7.049 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.532 3.452 -7.613 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.177 3.432 -8.994 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.259 2.380 -9.629 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.635 4.543 -9.502 1.00 0.00 N ATOM 0 H GLN A 74 -1.660 0.355 -4.891 1.00 0.00 H new ATOM 0 HA GLN A 74 0.324 2.326 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.981 1.370 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.477 1.648 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.105 4.093 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.529 3.873 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.565 5.412 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.063 4.542 -10.428 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.448 3.792 -4.129 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.857 4.780 -3.133 1.00 0.00 C ATOM 1198 C ILE A 75 -1.076 6.141 -3.789 1.00 0.00 C ATOM 1199 O ILE A 75 -0.254 6.600 -4.567 1.00 0.00 O ATOM 1200 CB ILE A 75 0.249 4.842 -2.044 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.067 3.876 -0.888 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.451 6.259 -1.494 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.147 2.444 -1.366 1.00 0.00 C ATOM 0 H ILE A 75 0.556 3.774 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.804 4.495 -2.675 1.00 0.00 H new ATOM 0 HB ILE A 75 1.178 4.539 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.576 4.088 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.096 4.012 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.235 6.247 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.741 6.926 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.479 6.612 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.075 1.752 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.514 2.239 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.183 2.316 -1.679 1.00 0.00 H new ATOM 1215 N THR A 76 -2.192 6.784 -3.452 1.00 0.00 N ATOM 1216 CA THR A 76 -2.505 8.106 -3.991 1.00 0.00 C ATOM 1217 C THR A 76 -3.106 8.966 -2.892 1.00 0.00 C ATOM 1218 O THR A 76 -4.172 8.661 -2.365 1.00 0.00 O ATOM 1219 CB THR A 76 -3.470 8.003 -5.174 1.00 0.00 C ATOM 1220 OG1 THR A 76 -2.995 7.014 -6.076 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.538 9.349 -5.890 1.00 0.00 C ATOM 0 H THR A 76 -2.893 6.413 -2.810 1.00 0.00 H new ATOM 0 HA THR A 76 -1.585 8.566 -4.352 1.00 0.00 H new ATOM 0 HB THR A 76 -4.463 7.730 -4.817 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.610 6.942 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.225 9.278 -6.733 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.892 10.112 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.546 9.619 -6.252 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.406 10.035 -2.542 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.863 10.934 -1.491 1.00 0.00 C ATOM 1231 C ALA A 77 -3.743 12.021 -2.105 1.00 0.00 C ATOM 1232 O ALA A 77 -3.352 12.658 -3.080 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.630 11.537 -0.802 1.00 0.00 C ATOM 0 H ALA A 77 -1.519 10.302 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.457 10.399 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.950 12.214 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.026 10.738 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.038 12.088 -1.533 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.947 12.206 -1.556 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.882 13.195 -2.096 1.00 0.00 C ATOM 1241 C ALA A 78 -5.917 14.466 -1.256 1.00 0.00 C ATOM 1242 O ALA A 78 -6.426 14.478 -0.137 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.281 12.583 -2.157 1.00 0.00 C ATOM 0 H ALA A 78 -5.294 11.690 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.542 13.469 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.981 13.315 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.266 11.704 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.595 12.292 -1.154 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.392 15.542 -1.835 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.368 16.853 -1.187 1.00 0.00 C ATOM 1251 C ASN A 79 -6.207 17.820 -2.005 1.00 0.00 C ATOM 1252 O ASN A 79 -6.835 17.426 -2.986 1.00 0.00 O ATOM 1253 CB ASN A 79 -3.910 17.364 -1.064 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.007 16.643 -2.061 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -1.875 16.289 -1.732 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -3.449 16.396 -3.264 1.00 0.00 N ATOM 0 H ASN A 79 -4.972 15.532 -2.764 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.783 16.775 -0.182 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.878 18.438 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.545 17.201 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.856 15.908 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.388 16.691 -3.533 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.230 19.079 -1.590 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.014 20.091 -2.297 1.00 0.00 C ATOM 1265 C ARG A 80 -6.848 19.919 -3.813 1.00 0.00 C ATOM 1266 O ARG A 80 -7.767 20.196 -4.584 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.571 21.507 -1.843 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.788 22.362 -1.440 1.00 0.00 C ATOM 1269 CD ARG A 80 -8.251 21.963 -0.033 1.00 0.00 C ATOM 1270 NE ARG A 80 -9.380 22.788 0.382 1.00 0.00 N ATOM 1271 CZ ARG A 80 -10.128 22.448 1.427 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -9.872 21.345 2.077 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -11.123 23.208 1.796 1.00 0.00 N ATOM 0 H ARG A 80 -5.722 19.425 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.070 19.968 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.884 21.425 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.028 21.998 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.526 23.420 -1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.598 22.220 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.537 20.911 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.429 22.078 0.674 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.599 23.638 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.100 20.747 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.444 21.081 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.328 24.065 1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.695 22.945 2.598 1.00 0.00 H new ATOM 1287 N LEU A 81 -5.671 19.447 -4.217 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.383 19.215 -5.629 1.00 0.00 C ATOM 1289 C LEU A 81 -6.297 18.113 -6.160 1.00 0.00 C ATOM 1290 O LEU A 81 -6.820 18.198 -7.270 1.00 0.00 O ATOM 1291 CB LEU A 81 -3.915 18.788 -5.792 1.00 0.00 C ATOM 1292 CG LEU A 81 -2.986 20.010 -5.744 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.305 20.856 -4.510 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -1.538 19.521 -5.659 1.00 0.00 C ATOM 0 H LEU A 81 -4.902 19.218 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.557 20.133 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.645 18.088 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.786 18.264 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.129 20.615 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.643 21.721 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.341 21.193 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.159 20.257 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.866 20.378 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.409 18.922 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.307 18.914 -6.534 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.467 17.073 -5.342 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.299 15.919 -5.690 1.00 0.00 C ATOM 1308 C GLY A 82 -6.477 14.643 -5.574 1.00 0.00 C ATOM 1309 O GLY A 82 -6.913 13.651 -4.993 1.00 0.00 O ATOM 0 H GLY A 82 -6.033 17.006 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.163 15.868 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.681 16.026 -6.705 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.268 14.699 -6.112 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.342 13.574 -6.054 1.00 0.00 C ATOM 1315 C TYR A 83 -2.917 14.109 -6.156 1.00 0.00 C ATOM 1316 O TYR A 83 -2.657 15.025 -6.935 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.621 12.591 -7.193 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.111 12.450 -7.384 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -6.818 11.477 -6.675 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.780 13.300 -8.275 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.200 11.349 -6.850 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.163 13.174 -8.454 1.00 0.00 C ATOM 1323 CZ TYR A 83 -8.875 12.197 -7.741 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.237 12.064 -7.915 1.00 0.00 O ATOM 0 H TYR A 83 -4.902 15.518 -6.598 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.471 13.042 -5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.158 12.945 -8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.179 11.621 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.298 10.823 -5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.230 14.051 -8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.747 10.598 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.681 13.828 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.550 12.728 -8.565 1.00 0.00 H new ATOM 1334 N SER A 84 -1.997 13.560 -5.366 1.00 0.00 N ATOM 1335 CA SER A 84 -0.613 14.037 -5.396 1.00 0.00 C ATOM 1336 C SER A 84 0.376 12.923 -5.099 1.00 0.00 C ATOM 1337 O SER A 84 0.029 11.888 -4.530 1.00 0.00 O ATOM 1338 CB SER A 84 -0.423 15.153 -4.371 1.00 0.00 C ATOM 1339 OG SER A 84 -1.219 16.271 -4.745 1.00 0.00 O ATOM 0 H SER A 84 -2.177 12.800 -4.710 1.00 0.00 H new ATOM 0 HA SER A 84 -0.421 14.409 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.708 14.804 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.627 15.440 -4.319 1.00 0.00 H new ATOM 0 HG SER A 84 -0.656 16.939 -5.189 1.00 0.00 H new ATOM 1345 N GLU A 85 1.622 13.184 -5.483 1.00 0.00 N ATOM 1346 CA GLU A 85 2.738 12.264 -5.275 1.00 0.00 C ATOM 1347 C GLU A 85 2.301 10.807 -5.100 1.00 0.00 C ATOM 1348 O GLU A 85 2.585 10.189 -4.077 1.00 0.00 O ATOM 1349 CB GLU A 85 3.559 12.723 -4.056 1.00 0.00 C ATOM 1350 CG GLU A 85 2.648 13.149 -2.898 1.00 0.00 C ATOM 1351 CD GLU A 85 1.922 11.947 -2.309 1.00 0.00 C ATOM 1352 OE1 GLU A 85 2.595 11.020 -1.886 1.00 0.00 O ATOM 1353 OE2 GLU A 85 0.705 11.971 -2.283 1.00 0.00 O ATOM 0 H GLU A 85 1.889 14.049 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 85 3.348 12.292 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.212 11.914 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.202 13.556 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.241 13.636 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.922 13.881 -3.251 1.00 0.00 H new ATOM 1360 N PRO A 86 1.658 10.225 -6.081 1.00 0.00 N ATOM 1361 CA PRO A 86 1.229 8.803 -5.984 1.00 0.00 C ATOM 1362 C PRO A 86 2.443 7.884 -5.933 1.00 0.00 C ATOM 1363 O PRO A 86 3.484 8.203 -6.509 1.00 0.00 O ATOM 1364 CB PRO A 86 0.411 8.566 -7.260 1.00 0.00 C ATOM 1365 CG PRO A 86 0.894 9.610 -8.222 1.00 0.00 C ATOM 1366 CD PRO A 86 1.281 10.825 -7.371 1.00 0.00 C ATOM 0 HA PRO A 86 0.653 8.597 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.571 7.562 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.658 8.667 -7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.748 9.247 -8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.116 9.869 -8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.108 11.380 -7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.450 11.522 -7.263 1.00 0.00 H new ATOM 1374 N THR A 87 2.308 6.735 -5.265 1.00 0.00 N ATOM 1375 CA THR A 87 3.403 5.781 -5.181 1.00 0.00 C ATOM 1376 C THR A 87 2.988 4.412 -5.658 1.00 0.00 C ATOM 1377 O THR A 87 2.144 3.748 -5.056 1.00 0.00 O ATOM 1378 CB THR A 87 3.932 5.630 -3.761 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.306 6.897 -3.239 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.139 4.694 -3.786 1.00 0.00 C ATOM 0 H THR A 87 1.457 6.450 -4.780 1.00 0.00 H new ATOM 0 HA THR A 87 4.186 6.185 -5.823 1.00 0.00 H new ATOM 0 HB THR A 87 3.154 5.213 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.491 6.814 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.529 4.576 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.837 3.721 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.913 5.116 -4.427 1.00 0.00 H new ATOM 1388 N VAL A 88 3.646 3.972 -6.708 1.00 0.00 N ATOM 1389 CA VAL A 88 3.415 2.642 -7.247 1.00 0.00 C ATOM 1390 C VAL A 88 4.443 1.709 -6.617 1.00 0.00 C ATOM 1391 O VAL A 88 5.571 1.587 -7.093 1.00 0.00 O ATOM 1392 CB VAL A 88 3.562 2.647 -8.776 1.00 0.00 C ATOM 1393 CG1 VAL A 88 2.251 3.104 -9.425 1.00 0.00 C ATOM 1394 CG2 VAL A 88 4.683 3.612 -9.176 1.00 0.00 C ATOM 0 H VAL A 88 4.349 4.515 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 88 2.403 2.308 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 88 3.801 1.639 -9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.363 3.105 -10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.449 2.422 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.008 4.110 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.789 3.617 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.439 4.617 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.620 3.290 -8.721 1.00 0.00 H new ATOM 1404 N TYR A 89 4.046 1.068 -5.524 1.00 0.00 N ATOM 1405 CA TYR A 89 4.942 0.155 -4.804 1.00 0.00 C ATOM 1406 C TYR A 89 4.690 -1.279 -5.260 1.00 0.00 C ATOM 1407 O TYR A 89 3.544 -1.710 -5.357 1.00 0.00 O ATOM 1408 CB TYR A 89 4.719 0.285 -3.293 1.00 0.00 C ATOM 1409 CG TYR A 89 5.599 -0.694 -2.535 1.00 0.00 C ATOM 1410 CD1 TYR A 89 6.991 -0.695 -2.724 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.023 -1.602 -1.631 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.795 -1.596 -2.021 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.834 -2.500 -0.926 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.218 -2.498 -1.122 1.00 0.00 C ATOM 1415 OH TYR A 89 8.015 -3.385 -0.428 1.00 0.00 O ATOM 0 H TYR A 89 3.116 1.159 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 89 5.977 0.417 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.941 1.303 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.671 0.098 -3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.441 0.003 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.954 -1.608 -1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.864 -1.596 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.389 -3.195 -0.230 1.00 0.00 H new ATOM 0 HH TYR A 89 7.728 -4.302 -0.620 1.00 0.00 H new ATOM 1425 N GLU A 90 5.762 -2.012 -5.562 1.00 0.00 N ATOM 1426 CA GLU A 90 5.632 -3.394 -6.029 1.00 0.00 C ATOM 1427 C GLU A 90 6.592 -4.320 -5.288 1.00 0.00 C ATOM 1428 O GLU A 90 7.760 -3.992 -5.082 1.00 0.00 O ATOM 1429 CB GLU A 90 5.926 -3.451 -7.529 1.00 0.00 C ATOM 1430 CG GLU A 90 7.195 -2.647 -7.824 1.00 0.00 C ATOM 1431 CD GLU A 90 7.567 -2.787 -9.295 1.00 0.00 C ATOM 1432 OE1 GLU A 90 8.142 -3.803 -9.645 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.260 -1.881 -10.054 1.00 0.00 O ATOM 0 H GLU A 90 6.723 -1.676 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 90 4.614 -3.729 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.054 -4.485 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.085 -3.046 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.036 -1.597 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.014 -3.001 -7.197 1.00 0.00 H new ATOM 1440 N PHE A 91 6.083 -5.485 -4.895 1.00 0.00 N ATOM 1441 CA PHE A 91 6.900 -6.465 -4.183 1.00 0.00 C ATOM 1442 C PHE A 91 6.154 -7.782 -4.011 1.00 0.00 C ATOM 1443 O PHE A 91 4.994 -7.801 -3.595 1.00 0.00 O ATOM 1444 CB PHE A 91 7.300 -5.913 -2.807 1.00 0.00 C ATOM 1445 CG PHE A 91 6.108 -5.960 -1.870 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.044 -5.070 -2.051 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.066 -6.897 -0.828 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.935 -5.117 -1.195 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.959 -6.943 0.027 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.893 -6.054 -0.157 1.00 0.00 C ATOM 0 H PHE A 91 5.118 -5.772 -5.055 1.00 0.00 H new ATOM 0 HA PHE A 91 7.795 -6.653 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.122 -6.498 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.657 -4.888 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.077 -4.346 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.888 -7.583 -0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.114 -4.430 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.927 -7.665 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.038 -6.092 0.502 1.00 0.00 H new ATOM 1460 N SER A 92 6.835 -8.885 -4.306 1.00 0.00 N ATOM 1461 CA SER A 92 6.230 -10.197 -4.157 1.00 0.00 C ATOM 1462 C SER A 92 6.279 -10.640 -2.702 1.00 0.00 C ATOM 1463 O SER A 92 7.024 -10.078 -1.898 1.00 0.00 O ATOM 1464 CB SER A 92 6.945 -11.219 -5.035 1.00 0.00 C ATOM 1465 OG SER A 92 8.347 -11.116 -4.835 1.00 0.00 O ATOM 0 H SER A 92 7.797 -8.894 -4.646 1.00 0.00 H new ATOM 0 HA SER A 92 5.189 -10.131 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.605 -12.225 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.703 -11.046 -6.084 1.00 0.00 H new ATOM 0 HG SER A 92 8.807 -11.774 -5.398 1.00 0.00 H new ATOM 1471 N MET A 93 5.464 -11.636 -2.357 1.00 0.00 N ATOM 1472 CA MET A 93 5.414 -12.124 -0.980 1.00 0.00 C ATOM 1473 C MET A 93 6.439 -13.246 -0.748 1.00 0.00 C ATOM 1474 O MET A 93 6.664 -14.072 -1.634 1.00 0.00 O ATOM 1475 CB MET A 93 4.005 -12.639 -0.683 1.00 0.00 C ATOM 1476 CG MET A 93 3.013 -11.483 -0.828 1.00 0.00 C ATOM 1477 SD MET A 93 3.265 -10.300 0.521 1.00 0.00 S ATOM 1478 CE MET A 93 2.698 -11.350 1.884 1.00 0.00 C ATOM 0 H MET A 93 4.837 -12.116 -3.003 1.00 0.00 H new ATOM 0 HA MET A 93 5.662 -11.301 -0.310 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.746 -13.446 -1.369 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.959 -13.051 0.325 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.151 -10.989 -1.790 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.991 -11.862 -0.808 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.253 -10.729 2.661 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.955 -12.056 1.514 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.545 -11.898 2.298 1.00 0.00 H new ATOM 1488 N PRO A 94 7.056 -13.302 0.417 1.00 0.00 N ATOM 1489 CA PRO A 94 8.061 -14.364 0.751 1.00 0.00 C ATOM 1490 C PRO A 94 7.382 -15.714 0.985 1.00 0.00 C ATOM 1491 O PRO A 94 6.172 -15.768 1.168 1.00 0.00 O ATOM 1492 CB PRO A 94 8.713 -13.838 2.044 1.00 0.00 C ATOM 1493 CG PRO A 94 7.657 -13.003 2.687 1.00 0.00 C ATOM 1494 CD PRO A 94 6.869 -12.366 1.545 1.00 0.00 C ATOM 0 HA PRO A 94 8.780 -14.537 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.021 -14.657 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.605 -13.251 1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.008 -13.612 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.099 -12.241 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.815 -12.254 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.246 -11.372 1.306 1.00 0.00 H new ATOM 1502 N PRO A 95 8.131 -16.792 0.989 1.00 0.00 N ATOM 1503 CA PRO A 95 7.568 -18.160 1.224 1.00 0.00 C ATOM 1504 C PRO A 95 7.024 -18.306 2.647 1.00 0.00 C ATOM 1505 O PRO A 95 7.470 -17.619 3.567 1.00 0.00 O ATOM 1506 CB PRO A 95 8.766 -19.096 0.973 1.00 0.00 C ATOM 1507 CG PRO A 95 9.976 -18.245 1.206 1.00 0.00 C ATOM 1508 CD PRO A 95 9.588 -16.837 0.761 1.00 0.00 C ATOM 0 HA PRO A 95 6.720 -18.384 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.748 -19.951 1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.752 -19.493 -0.042 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.266 -18.257 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.829 -18.614 0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.109 -16.075 1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.836 -16.665 -0.286 1.00 0.00 H new ATOM 1516 N LYS A 96 6.040 -19.185 2.813 1.00 0.00 N ATOM 1517 CA LYS A 96 5.419 -19.397 4.119 1.00 0.00 C ATOM 1518 C LYS A 96 6.471 -19.399 5.236 1.00 0.00 C ATOM 1519 O LYS A 96 7.470 -20.112 5.141 1.00 0.00 O ATOM 1520 CB LYS A 96 4.670 -20.740 4.128 1.00 0.00 C ATOM 1521 CG LYS A 96 3.962 -20.978 5.492 1.00 0.00 C ATOM 1522 CD LYS A 96 2.580 -20.300 5.505 1.00 0.00 C ATOM 1523 CE LYS A 96 1.530 -21.202 4.837 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.017 -22.177 5.840 1.00 0.00 N ATOM 0 H LYS A 96 5.656 -19.760 2.064 1.00 0.00 H new ATOM 0 HA LYS A 96 4.721 -18.580 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.933 -20.754 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.371 -21.552 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.851 -22.048 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.576 -20.583 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.283 -20.086 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.632 -19.345 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.711 -20.599 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.971 -21.729 3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.306 -22.791 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.804 -22.758 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.583 -21.663 6.633 1.00 0.00 H new ATOM 1538 N PRO A 97 6.255 -18.657 6.304 1.00 0.00 N ATOM 1539 CA PRO A 97 7.202 -18.627 7.456 1.00 0.00 C ATOM 1540 C PRO A 97 7.069 -19.878 8.324 1.00 0.00 C ATOM 1541 O PRO A 97 6.230 -20.741 8.063 1.00 0.00 O ATOM 1542 CB PRO A 97 6.769 -17.382 8.235 1.00 0.00 C ATOM 1543 CG PRO A 97 5.308 -17.256 7.967 1.00 0.00 C ATOM 1544 CD PRO A 97 5.097 -17.763 6.542 1.00 0.00 C ATOM 0 HA PRO A 97 8.245 -18.601 7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.968 -17.493 9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.311 -16.497 7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.728 -17.843 8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.981 -16.221 8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.153 -18.299 6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.073 -16.942 5.826 1.00 0.00 H new