USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=27 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 42 LYS NZ :NH3+ 177:sc= 0.625 (180deg=0) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0.556 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.589 X(o=-0.47,f=-0.51) USER MOD Set 2.2: A 87 THR OG1 : rot 180:sc= 0.116 USER MOD Set 3.1: A 79 ASN : amide:sc= -2.99! C(o=-3.2!,f=-10!) USER MOD Set 3.2: A 84 SER OG : rot 30:sc= -0.193 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -157:sc= 0.913 (180deg=0) USER MOD Set 4.2: A 21 SER OG : rot 120:sc= -0.419 USER MOD Single : A 7 SER OG : rot 38:sc= -0.257 USER MOD Single : A 9 HIS : no HD1:sc=-0.00346 X(o=-0.0035,f=-0.15) USER MOD Single : A 11 GLN :FLIP amide:sc= -2.95! C(o=-4.9!,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.323 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc=-0.00808 (180deg=-1.38!) USER MOD Single : A 17 SER OG : rot 60:sc= -2.24 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.593 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -42:sc= 0.0517! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0865 (180deg=-0.598) USER MOD Single : A 54 GLN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -1.51! C(o=-2.4!,f=-1.5!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -145:sc= -1.3 (180deg=-1.8) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -158:sc= -1.01 (180deg=-2.63!) USER MOD Single : A 96 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.000538) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 9.937 11.220 -4.297 1.00 0.00 N ATOM 66 CA PRO A 5 10.053 9.737 -4.468 1.00 0.00 C ATOM 67 C PRO A 5 9.120 8.956 -3.533 1.00 0.00 C ATOM 68 O PRO A 5 8.630 9.505 -2.546 1.00 0.00 O ATOM 69 CB PRO A 5 11.523 9.476 -4.123 1.00 0.00 C ATOM 70 CG PRO A 5 12.252 10.712 -4.560 1.00 0.00 C ATOM 71 CD PRO A 5 11.250 11.877 -4.464 1.00 0.00 C ATOM 0 HA PRO A 5 9.765 9.409 -5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.652 9.299 -3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.899 8.593 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.119 10.894 -3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.621 10.603 -5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.478 12.529 -3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.273 12.496 -5.361 1.00 0.00 H new ATOM 79 N PRO A 6 8.870 7.691 -3.814 1.00 0.00 N ATOM 80 CA PRO A 6 7.988 6.834 -2.967 1.00 0.00 C ATOM 81 C PRO A 6 8.127 7.104 -1.469 1.00 0.00 C ATOM 82 O PRO A 6 9.067 7.761 -1.020 1.00 0.00 O ATOM 83 CB PRO A 6 8.446 5.425 -3.338 1.00 0.00 C ATOM 84 CG PRO A 6 8.743 5.532 -4.787 1.00 0.00 C ATOM 85 CD PRO A 6 9.381 6.920 -4.972 1.00 0.00 C ATOM 0 HA PRO A 6 6.930 7.019 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.326 5.125 -2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.671 4.685 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.421 4.742 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.835 5.434 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.470 6.865 -4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.087 7.374 -5.918 1.00 0.00 H new ATOM 93 N SER A 7 7.150 6.611 -0.711 1.00 0.00 N ATOM 94 CA SER A 7 7.108 6.810 0.733 1.00 0.00 C ATOM 95 C SER A 7 6.353 5.649 1.393 1.00 0.00 C ATOM 96 O SER A 7 5.384 5.852 2.126 1.00 0.00 O ATOM 97 CB SER A 7 6.391 8.141 1.000 1.00 0.00 C ATOM 98 OG SER A 7 7.357 9.162 1.207 1.00 0.00 O ATOM 0 H SER A 7 6.370 6.066 -1.079 1.00 0.00 H new ATOM 0 HA SER A 7 8.114 6.838 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.749 8.397 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.747 8.051 1.875 1.00 0.00 H new ATOM 0 HG SER A 7 8.118 9.019 0.607 1.00 0.00 H new ATOM 104 N ILE A 8 6.775 4.424 1.097 1.00 0.00 N ATOM 105 CA ILE A 8 6.108 3.239 1.632 1.00 0.00 C ATOM 106 C ILE A 8 7.113 2.281 2.253 1.00 0.00 C ATOM 107 O ILE A 8 8.095 1.896 1.617 1.00 0.00 O ATOM 108 CB ILE A 8 5.371 2.515 0.496 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.551 3.517 -0.347 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.460 1.423 1.069 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.242 3.890 0.336 1.00 0.00 C ATOM 0 H ILE A 8 7.572 4.225 0.492 1.00 0.00 H new ATOM 0 HA ILE A 8 5.405 3.559 2.401 1.00 0.00 H new ATOM 0 HB ILE A 8 6.110 2.048 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.141 4.417 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.341 3.083 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.943 0.916 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.061 0.701 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.728 1.874 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.694 4.596 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.640 2.993 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.453 4.348 1.302 1.00 0.00 H new ATOM 123 N HIS A 9 6.846 1.879 3.490 1.00 0.00 N ATOM 124 CA HIS A 9 7.711 0.933 4.199 1.00 0.00 C ATOM 125 C HIS A 9 6.905 -0.316 4.539 1.00 0.00 C ATOM 126 O HIS A 9 5.962 -0.249 5.324 1.00 0.00 O ATOM 127 CB HIS A 9 8.233 1.583 5.495 1.00 0.00 C ATOM 128 CG HIS A 9 9.581 1.016 5.860 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.695 1.186 5.052 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.008 0.279 6.938 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.728 0.565 5.650 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.365 -0.005 6.802 1.00 0.00 N ATOM 0 H HIS A 9 6.037 2.192 4.027 1.00 0.00 H new ATOM 0 HA HIS A 9 8.559 0.663 3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.309 2.662 5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.526 1.410 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.387 -0.033 7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.730 0.532 5.247 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.955 -0.534 7.444 1.00 0.00 H new ATOM 140 N GLY A 10 7.271 -1.452 3.951 1.00 0.00 N ATOM 141 CA GLY A 10 6.546 -2.696 4.213 1.00 0.00 C ATOM 142 C GLY A 10 7.172 -3.480 5.352 1.00 0.00 C ATOM 143 O GLY A 10 8.390 -3.490 5.527 1.00 0.00 O ATOM 0 H GLY A 10 8.052 -1.539 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.508 -2.468 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.536 -3.309 3.311 1.00 0.00 H new ATOM 147 N GLN A 11 6.319 -4.153 6.118 1.00 0.00 N ATOM 148 CA GLN A 11 6.777 -4.968 7.242 1.00 0.00 C ATOM 149 C GLN A 11 5.830 -6.163 7.424 1.00 0.00 C ATOM 150 O GLN A 11 4.650 -5.966 7.713 1.00 0.00 O ATOM 151 CB GLN A 11 6.796 -4.130 8.527 1.00 0.00 C ATOM 152 CG GLN A 11 7.651 -4.824 9.596 1.00 0.00 C ATOM 153 CD GLN A 11 6.977 -6.112 10.053 1.00 0.00 C ATOM 154 OE1 GLN A 11 5.679 -6.142 10.197 1.00 0.00 O flip ATOM 155 NE2 GLN A 11 7.649 -7.117 10.286 1.00 0.00 N flip ATOM 0 H GLN A 11 5.308 -4.151 5.983 1.00 0.00 H new ATOM 0 HA GLN A 11 7.786 -5.326 7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.196 -3.138 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.780 -3.992 8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.640 -5.045 9.194 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.794 -4.158 10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.662 -7.090 10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.192 -7.976 10.592 1.00 0.00 H new ATOM 164 N PRO A 12 6.287 -7.389 7.257 1.00 0.00 N ATOM 165 CA PRO A 12 5.396 -8.574 7.411 1.00 0.00 C ATOM 166 C PRO A 12 4.602 -8.535 8.715 1.00 0.00 C ATOM 167 O PRO A 12 5.138 -8.814 9.787 1.00 0.00 O ATOM 168 CB PRO A 12 6.357 -9.777 7.391 1.00 0.00 C ATOM 169 CG PRO A 12 7.590 -9.299 6.686 1.00 0.00 C ATOM 170 CD PRO A 12 7.667 -7.782 6.908 1.00 0.00 C ATOM 0 HA PRO A 12 4.645 -8.616 6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.589 -10.110 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.912 -10.625 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.478 -9.793 7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.542 -9.532 5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.365 -7.533 7.707 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.012 -7.267 6.012 1.00 0.00 H new ATOM 178 N SER A 13 3.318 -8.213 8.611 1.00 0.00 N ATOM 179 CA SER A 13 2.455 -8.172 9.782 1.00 0.00 C ATOM 180 C SER A 13 2.009 -9.587 10.125 1.00 0.00 C ATOM 181 O SER A 13 2.189 -10.505 9.323 1.00 0.00 O ATOM 182 CB SER A 13 1.230 -7.298 9.509 1.00 0.00 C ATOM 183 OG SER A 13 0.322 -7.409 10.597 1.00 0.00 O ATOM 0 H SER A 13 2.855 -7.978 7.733 1.00 0.00 H new ATOM 0 HA SER A 13 3.008 -7.746 10.619 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.532 -6.259 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.746 -7.609 8.583 1.00 0.00 H new ATOM 0 HG SER A 13 -0.464 -6.849 10.426 1.00 0.00 H new ATOM 189 N SER A 14 1.433 -9.769 11.306 1.00 0.00 N ATOM 190 CA SER A 14 0.977 -11.096 11.715 1.00 0.00 C ATOM 191 C SER A 14 0.266 -11.795 10.556 1.00 0.00 C ATOM 192 O SER A 14 -0.751 -11.311 10.057 1.00 0.00 O ATOM 193 CB SER A 14 0.025 -10.977 12.904 1.00 0.00 C ATOM 194 OG SER A 14 -0.446 -12.271 13.261 1.00 0.00 O ATOM 0 H SER A 14 1.271 -9.030 11.990 1.00 0.00 H new ATOM 0 HA SER A 14 1.845 -11.687 12.006 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.537 -10.518 13.750 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.814 -10.330 12.649 1.00 0.00 H new ATOM 0 HG SER A 14 -1.056 -12.198 14.025 1.00 0.00 H new ATOM 200 N GLY A 15 0.812 -12.932 10.132 1.00 0.00 N ATOM 201 CA GLY A 15 0.228 -13.691 9.027 1.00 0.00 C ATOM 202 C GLY A 15 0.796 -13.239 7.684 1.00 0.00 C ATOM 203 O GLY A 15 1.945 -12.807 7.597 1.00 0.00 O ATOM 0 H GLY A 15 1.653 -13.347 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.425 -14.754 9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.855 -13.564 9.028 1.00 0.00 H new ATOM 207 N LYS A 16 -0.016 -13.361 6.638 1.00 0.00 N ATOM 208 CA LYS A 16 0.410 -12.980 5.292 1.00 0.00 C ATOM 209 C LYS A 16 0.260 -11.477 5.088 1.00 0.00 C ATOM 210 O LYS A 16 0.660 -10.936 4.059 1.00 0.00 O ATOM 211 CB LYS A 16 -0.430 -13.738 4.249 1.00 0.00 C ATOM 212 CG LYS A 16 -0.814 -15.117 4.799 1.00 0.00 C ATOM 213 CD LYS A 16 -1.265 -16.031 3.653 1.00 0.00 C ATOM 214 CE LYS A 16 -2.567 -15.502 3.053 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.160 -16.537 2.159 1.00 0.00 N ATOM 0 H LYS A 16 -0.969 -13.719 6.694 1.00 0.00 H new ATOM 0 HA LYS A 16 1.461 -13.242 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.328 -13.169 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.135 -13.849 3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.036 -15.561 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.615 -15.016 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.492 -16.076 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.409 -17.047 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.269 -15.247 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.376 -14.588 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.550 -16.080 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.424 -17.217 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.920 -17.037 2.663 1.00 0.00 H new ATOM 229 N SER A 17 -0.325 -10.815 6.069 1.00 0.00 N ATOM 230 CA SER A 17 -0.535 -9.380 5.988 1.00 0.00 C ATOM 231 C SER A 17 0.793 -8.623 5.999 1.00 0.00 C ATOM 232 O SER A 17 1.729 -9.005 6.701 1.00 0.00 O ATOM 233 CB SER A 17 -1.380 -8.928 7.168 1.00 0.00 C ATOM 234 OG SER A 17 -1.524 -7.523 7.110 1.00 0.00 O ATOM 0 H SER A 17 -0.663 -11.246 6.930 1.00 0.00 H new ATOM 0 HA SER A 17 -1.046 -9.162 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.357 -9.410 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.908 -9.221 8.106 1.00 0.00 H new ATOM 0 HG SER A 17 -1.963 -7.274 6.270 1.00 0.00 H new ATOM 240 N PHE A 18 0.857 -7.534 5.227 1.00 0.00 N ATOM 241 CA PHE A 18 2.064 -6.699 5.154 1.00 0.00 C ATOM 242 C PHE A 18 1.706 -5.264 5.547 1.00 0.00 C ATOM 243 O PHE A 18 0.844 -4.640 4.927 1.00 0.00 O ATOM 244 CB PHE A 18 2.640 -6.741 3.711 1.00 0.00 C ATOM 245 CG PHE A 18 4.127 -7.054 3.714 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.567 -8.383 3.684 1.00 0.00 C ATOM 247 CD2 PHE A 18 5.060 -6.013 3.722 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.941 -8.663 3.664 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.427 -6.296 3.706 1.00 0.00 C ATOM 250 CZ PHE A 18 6.867 -7.611 3.676 1.00 0.00 C ATOM 0 H PHE A 18 0.087 -7.208 4.642 1.00 0.00 H new ATOM 0 HA PHE A 18 2.821 -7.077 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.110 -7.494 3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.470 -5.782 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.850 -9.191 3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.722 -4.987 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.285 -9.687 3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.144 -5.489 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.926 -7.825 3.662 1.00 0.00 H new ATOM 260 N LYS A 19 2.367 -4.746 6.577 1.00 0.00 N ATOM 261 CA LYS A 19 2.098 -3.384 7.034 1.00 0.00 C ATOM 262 C LYS A 19 2.885 -2.379 6.203 1.00 0.00 C ATOM 263 O LYS A 19 4.104 -2.275 6.336 1.00 0.00 O ATOM 264 CB LYS A 19 2.500 -3.238 8.509 1.00 0.00 C ATOM 265 CG LYS A 19 2.216 -1.790 9.017 1.00 0.00 C ATOM 266 CD LYS A 19 3.498 -1.149 9.565 1.00 0.00 C ATOM 267 CE LYS A 19 3.211 0.297 9.973 1.00 0.00 C ATOM 268 NZ LYS A 19 4.456 0.921 10.500 1.00 0.00 N ATOM 0 H LYS A 19 3.085 -5.240 7.107 1.00 0.00 H new ATOM 0 HA LYS A 19 1.032 -3.188 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.947 -3.956 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.559 -3.469 8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.820 -1.184 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.454 -1.815 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.862 -1.715 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.283 -1.176 8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.843 0.862 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.429 0.324 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.209 1.720 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.994 0.216 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.035 1.263 9.707 1.00 0.00 H new ATOM 282 N LEU A 20 2.181 -1.627 5.358 1.00 0.00 N ATOM 283 CA LEU A 20 2.828 -0.615 4.521 1.00 0.00 C ATOM 284 C LEU A 20 2.595 0.761 5.135 1.00 0.00 C ATOM 285 O LEU A 20 1.474 1.270 5.128 1.00 0.00 O ATOM 286 CB LEU A 20 2.263 -0.659 3.094 1.00 0.00 C ATOM 287 CG LEU A 20 1.997 -2.111 2.690 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.458 -2.154 1.262 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.296 -2.906 2.775 1.00 0.00 C ATOM 0 H LEU A 20 1.171 -1.697 5.234 1.00 0.00 H new ATOM 0 HA LEU A 20 3.898 -0.818 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.340 -0.081 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.967 -0.201 2.399 1.00 0.00 H new ATOM 0 HG LEU A 20 1.261 -2.548 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.269 -3.189 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.529 -1.587 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.191 -1.718 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.109 -3.941 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.034 -2.470 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.675 -2.876 3.797 1.00 0.00 H new ATOM 301 N SER A 21 3.653 1.346 5.688 1.00 0.00 N ATOM 302 CA SER A 21 3.547 2.647 6.328 1.00 0.00 C ATOM 303 C SER A 21 3.643 3.770 5.302 1.00 0.00 C ATOM 304 O SER A 21 4.644 3.886 4.595 1.00 0.00 O ATOM 305 CB SER A 21 4.666 2.802 7.360 1.00 0.00 C ATOM 306 OG SER A 21 4.834 1.573 8.054 1.00 0.00 O ATOM 0 H SER A 21 4.588 0.940 5.705 1.00 0.00 H new ATOM 0 HA SER A 21 2.576 2.711 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.596 3.085 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.422 3.600 8.062 1.00 0.00 H new ATOM 0 HG SER A 21 5.747 1.243 7.918 1.00 0.00 H new ATOM 312 N ILE A 22 2.612 4.615 5.240 1.00 0.00 N ATOM 313 CA ILE A 22 2.628 5.737 4.313 1.00 0.00 C ATOM 314 C ILE A 22 3.345 6.892 5.010 1.00 0.00 C ATOM 315 O ILE A 22 2.862 7.398 6.023 1.00 0.00 O ATOM 316 CB ILE A 22 1.188 6.173 3.937 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.197 5.005 4.057 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.164 6.682 2.497 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.523 3.882 3.064 1.00 0.00 C ATOM 0 H ILE A 22 1.771 4.543 5.812 1.00 0.00 H new ATOM 0 HA ILE A 22 3.137 5.449 3.393 1.00 0.00 H new ATOM 0 HB ILE A 22 0.890 6.961 4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.220 4.611 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.816 5.367 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.151 6.988 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.836 7.535 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.488 5.887 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.199 3.074 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.474 4.270 2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.526 3.503 3.260 1.00 0.00 H new ATOM 331 N THR A 23 4.499 7.301 4.490 1.00 0.00 N ATOM 332 CA THR A 23 5.243 8.389 5.119 1.00 0.00 C ATOM 333 C THR A 23 4.756 9.731 4.593 1.00 0.00 C ATOM 334 O THR A 23 4.693 9.954 3.386 1.00 0.00 O ATOM 335 CB THR A 23 6.750 8.224 4.867 1.00 0.00 C ATOM 336 OG1 THR A 23 7.223 7.100 5.596 1.00 0.00 O ATOM 337 CG2 THR A 23 7.496 9.479 5.329 1.00 0.00 C ATOM 0 H THR A 23 4.932 6.907 3.655 1.00 0.00 H new ATOM 0 HA THR A 23 5.070 8.355 6.195 1.00 0.00 H new ATOM 0 HB THR A 23 6.925 8.076 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.184 6.988 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.564 9.355 5.147 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.132 10.344 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.325 9.633 6.394 1.00 0.00 H new ATOM 345 N LYS A 24 4.403 10.614 5.515 1.00 0.00 N ATOM 346 CA LYS A 24 3.909 11.933 5.159 1.00 0.00 C ATOM 347 C LYS A 24 4.805 12.569 4.109 1.00 0.00 C ATOM 348 O LYS A 24 5.908 13.025 4.409 1.00 0.00 O ATOM 349 CB LYS A 24 3.882 12.811 6.414 1.00 0.00 C ATOM 350 CG LYS A 24 2.985 12.156 7.496 1.00 0.00 C ATOM 351 CD LYS A 24 3.535 12.449 8.901 1.00 0.00 C ATOM 352 CE LYS A 24 4.696 11.491 9.227 1.00 0.00 C ATOM 353 NZ LYS A 24 5.052 11.620 10.668 1.00 0.00 N ATOM 0 H LYS A 24 4.450 10.439 6.519 1.00 0.00 H new ATOM 0 HA LYS A 24 2.904 11.841 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.893 12.943 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.503 13.803 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.967 12.536 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.938 11.079 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.879 13.482 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.742 12.337 9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.409 10.464 9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.560 11.724 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.836 10.974 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.342 12.599 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.227 11.378 11.253 1.00 0.00 H new ATOM 367 N GLN A 25 4.317 12.598 2.877 1.00 0.00 N ATOM 368 CA GLN A 25 5.073 13.183 1.779 1.00 0.00 C ATOM 369 C GLN A 25 4.909 14.699 1.787 1.00 0.00 C ATOM 370 O GLN A 25 3.949 15.223 2.353 1.00 0.00 O ATOM 371 CB GLN A 25 4.589 12.612 0.444 1.00 0.00 C ATOM 372 CG GLN A 25 4.956 11.127 0.353 1.00 0.00 C ATOM 373 CD GLN A 25 4.500 10.562 -0.988 1.00 0.00 C ATOM 374 OE1 GLN A 25 4.744 11.168 -2.031 1.00 0.00 O ATOM 375 NE2 GLN A 25 3.850 9.431 -1.024 1.00 0.00 N ATOM 0 H GLN A 25 3.405 12.225 2.613 1.00 0.00 H new ATOM 0 HA GLN A 25 6.128 12.938 1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.510 12.736 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.042 13.160 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.033 11.002 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.486 10.577 1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.649 8.931 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.543 9.047 -1.918 1.00 0.00 H new ATOM 384 N ASP A 26 5.847 15.401 1.164 1.00 0.00 N ATOM 385 CA ASP A 26 5.789 16.858 1.118 1.00 0.00 C ATOM 386 C ASP A 26 4.420 17.326 0.631 1.00 0.00 C ATOM 387 O ASP A 26 4.104 18.514 0.690 1.00 0.00 O ATOM 388 CB ASP A 26 6.880 17.392 0.186 1.00 0.00 C ATOM 389 CG ASP A 26 7.089 18.885 0.424 1.00 0.00 C ATOM 390 OD1 ASP A 26 6.220 19.500 1.018 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.118 19.392 0.008 1.00 0.00 O ATOM 0 H ASP A 26 6.650 14.991 0.687 1.00 0.00 H new ATOM 0 HA ASP A 26 5.951 17.244 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.812 16.854 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.599 17.217 -0.853 1.00 0.00 H new ATOM 396 N ASP A 27 3.611 16.385 0.157 1.00 0.00 N ATOM 397 CA ASP A 27 2.276 16.709 -0.333 1.00 0.00 C ATOM 398 C ASP A 27 2.373 17.600 -1.571 1.00 0.00 C ATOM 399 O ASP A 27 3.113 18.584 -1.580 1.00 0.00 O ATOM 400 CB ASP A 27 1.470 17.415 0.772 1.00 0.00 C ATOM 401 CG ASP A 27 1.879 16.871 2.137 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.455 15.777 2.470 1.00 0.00 O ATOM 403 OD2 ASP A 27 2.610 17.558 2.831 1.00 0.00 O ATOM 0 H ASP A 27 3.855 15.396 0.102 1.00 0.00 H new ATOM 0 HA ASP A 27 1.764 15.787 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.644 18.490 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.403 17.259 0.613 1.00 0.00 H new ATOM 408 N GLY A 28 1.636 17.236 -2.617 1.00 0.00 N ATOM 409 CA GLY A 28 1.652 17.998 -3.863 1.00 0.00 C ATOM 410 C GLY A 28 1.682 19.504 -3.607 1.00 0.00 C ATOM 411 O GLY A 28 2.061 20.281 -4.480 1.00 0.00 O ATOM 0 H GLY A 28 1.022 16.421 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.523 17.712 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.771 17.747 -4.454 1.00 0.00 H new ATOM 415 N GLY A 29 1.287 19.913 -2.401 1.00 0.00 N ATOM 416 CA GLY A 29 1.283 21.336 -2.043 1.00 0.00 C ATOM 417 C GLY A 29 0.030 21.712 -1.254 1.00 0.00 C ATOM 418 O GLY A 29 -0.312 22.889 -1.143 1.00 0.00 O ATOM 0 H GLY A 29 0.968 19.288 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.169 21.566 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.339 21.940 -2.949 1.00 0.00 H new ATOM 422 N ALA A 30 -0.650 20.711 -0.700 1.00 0.00 N ATOM 423 CA ALA A 30 -1.857 20.956 0.078 1.00 0.00 C ATOM 424 C ALA A 30 -2.107 19.781 1.022 1.00 0.00 C ATOM 425 O ALA A 30 -1.696 18.656 0.736 1.00 0.00 O ATOM 426 CB ALA A 30 -3.054 21.147 -0.866 1.00 0.00 C ATOM 0 H ALA A 30 -0.386 19.729 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.730 21.863 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.954 21.330 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.869 21.998 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.190 20.249 -1.468 1.00 0.00 H new ATOM 432 N PRO A 31 -2.758 20.009 2.137 1.00 0.00 N ATOM 433 CA PRO A 31 -3.035 18.926 3.119 1.00 0.00 C ATOM 434 C PRO A 31 -3.960 17.859 2.538 1.00 0.00 C ATOM 435 O PRO A 31 -4.924 18.169 1.838 1.00 0.00 O ATOM 436 CB PRO A 31 -3.680 19.660 4.309 1.00 0.00 C ATOM 437 CG PRO A 31 -4.237 20.923 3.729 1.00 0.00 C ATOM 438 CD PRO A 31 -3.302 21.303 2.583 1.00 0.00 C ATOM 0 HA PRO A 31 -2.135 18.383 3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.464 19.057 4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.946 19.873 5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.255 20.772 3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.277 21.713 4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.837 21.811 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.512 21.977 2.916 1.00 0.00 H new ATOM 446 N ILE A 32 -3.647 16.604 2.833 1.00 0.00 N ATOM 447 CA ILE A 32 -4.434 15.476 2.341 1.00 0.00 C ATOM 448 C ILE A 32 -5.566 15.129 3.306 1.00 0.00 C ATOM 449 O ILE A 32 -5.353 15.018 4.515 1.00 0.00 O ATOM 450 CB ILE A 32 -3.515 14.256 2.179 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.509 14.501 1.019 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.360 13.002 1.900 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.112 14.007 1.400 1.00 0.00 C ATOM 0 H ILE A 32 -2.851 16.339 3.413 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.874 15.753 1.383 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.953 14.103 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.850 13.986 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.472 15.564 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.704 12.139 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.043 12.831 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.933 13.146 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.424 14.188 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.766 14.542 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.149 12.939 1.613 1.00 0.00 H new ATOM 465 N LEU A 33 -6.764 14.939 2.762 1.00 0.00 N ATOM 466 CA LEU A 33 -7.923 14.581 3.575 1.00 0.00 C ATOM 467 C LEU A 33 -8.032 13.058 3.698 1.00 0.00 C ATOM 468 O LEU A 33 -8.610 12.543 4.655 1.00 0.00 O ATOM 469 CB LEU A 33 -9.204 15.147 2.944 1.00 0.00 C ATOM 470 CG LEU A 33 -9.345 16.632 3.295 1.00 0.00 C ATOM 471 CD1 LEU A 33 -8.165 17.413 2.712 1.00 0.00 C ATOM 472 CD2 LEU A 33 -10.653 17.172 2.709 1.00 0.00 C ATOM 0 H LEU A 33 -6.958 15.026 1.764 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.798 15.008 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.173 15.021 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.072 14.595 3.304 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.355 16.748 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.268 18.469 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.234 17.030 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.152 17.297 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.755 18.228 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.642 17.054 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.494 16.618 3.126 1.00 0.00 H new ATOM 484 N GLU A 34 -7.477 12.344 2.718 1.00 0.00 N ATOM 485 CA GLU A 34 -7.525 10.881 2.728 1.00 0.00 C ATOM 486 C GLU A 34 -6.527 10.284 1.742 1.00 0.00 C ATOM 487 O GLU A 34 -6.023 10.969 0.852 1.00 0.00 O ATOM 488 CB GLU A 34 -8.927 10.401 2.352 1.00 0.00 C ATOM 489 CG GLU A 34 -9.386 11.113 1.079 1.00 0.00 C ATOM 490 CD GLU A 34 -10.800 10.674 0.715 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.614 10.556 1.617 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.049 10.458 -0.461 1.00 0.00 O ATOM 0 H GLU A 34 -6.994 12.749 1.916 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.268 10.552 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.924 9.322 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.623 10.604 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.359 12.193 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.704 10.886 0.260 1.00 0.00 H new ATOM 499 N TYR A 35 -6.266 8.985 1.901 1.00 0.00 N ATOM 500 CA TYR A 35 -5.345 8.264 1.017 1.00 0.00 C ATOM 501 C TYR A 35 -6.080 7.132 0.306 1.00 0.00 C ATOM 502 O TYR A 35 -6.546 6.186 0.940 1.00 0.00 O ATOM 503 CB TYR A 35 -4.202 7.662 1.849 1.00 0.00 C ATOM 504 CG TYR A 35 -3.076 8.651 2.045 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.300 9.827 2.760 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.803 8.371 1.541 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.247 10.729 2.975 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.751 9.269 1.747 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.972 10.447 2.464 1.00 0.00 C ATOM 510 OH TYR A 35 0.073 11.323 2.679 1.00 0.00 O ATOM 0 H TYR A 35 -6.680 8.409 2.634 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.947 8.962 0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.584 7.348 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.821 6.769 1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.284 10.044 3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.631 7.458 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.418 11.638 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.231 9.052 1.352 1.00 0.00 H new ATOM 0 HH TYR A 35 0.885 10.973 2.257 1.00 0.00 H new ATOM 520 N ILE A 36 -6.144 7.213 -1.014 1.00 0.00 N ATOM 521 CA ILE A 36 -6.782 6.171 -1.808 1.00 0.00 C ATOM 522 C ILE A 36 -5.725 5.156 -2.205 1.00 0.00 C ATOM 523 O ILE A 36 -4.773 5.482 -2.916 1.00 0.00 O ATOM 524 CB ILE A 36 -7.404 6.783 -3.060 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.451 7.817 -2.645 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.069 5.685 -3.894 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.908 8.602 -3.874 1.00 0.00 C ATOM 0 H ILE A 36 -5.763 7.987 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.567 5.687 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.629 7.265 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.303 7.321 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.033 8.496 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.512 6.125 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.322 4.947 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.847 5.201 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.654 9.339 -3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.053 9.110 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.343 7.917 -4.602 1.00 0.00 H new ATOM 539 N VAL A 37 -5.879 3.929 -1.721 1.00 0.00 N ATOM 540 CA VAL A 37 -4.917 2.870 -2.000 1.00 0.00 C ATOM 541 C VAL A 37 -5.563 1.765 -2.817 1.00 0.00 C ATOM 542 O VAL A 37 -6.626 1.260 -2.461 1.00 0.00 O ATOM 543 CB VAL A 37 -4.426 2.289 -0.670 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.525 1.074 -0.942 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.665 3.371 0.135 1.00 0.00 C ATOM 0 H VAL A 37 -6.662 3.643 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.084 3.284 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.281 1.964 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.176 0.661 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.091 0.315 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.668 1.383 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.320 2.947 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.808 3.718 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.331 4.210 0.336 1.00 0.00 H new ATOM 555 N LYS A 38 -4.902 1.380 -3.905 1.00 0.00 N ATOM 556 CA LYS A 38 -5.407 0.315 -4.761 1.00 0.00 C ATOM 557 C LYS A 38 -4.305 -0.708 -4.999 1.00 0.00 C ATOM 558 O LYS A 38 -3.191 -0.350 -5.371 1.00 0.00 O ATOM 559 CB LYS A 38 -5.877 0.892 -6.098 1.00 0.00 C ATOM 560 CG LYS A 38 -7.021 1.885 -5.855 1.00 0.00 C ATOM 561 CD LYS A 38 -7.518 2.460 -7.192 1.00 0.00 C ATOM 562 CE LYS A 38 -8.527 1.502 -7.835 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.067 2.114 -9.083 1.00 0.00 N ATOM 0 H LYS A 38 -4.019 1.788 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.252 -0.168 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.049 1.391 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.212 0.089 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.841 1.387 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.680 2.693 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.982 3.433 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.675 2.618 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.047 0.550 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.339 1.292 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.752 1.465 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.539 3.012 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.287 2.293 -9.747 1.00 0.00 H new ATOM 577 N TYR A 39 -4.610 -1.985 -4.773 1.00 0.00 N ATOM 578 CA TYR A 39 -3.617 -3.050 -4.957 1.00 0.00 C ATOM 579 C TYR A 39 -4.220 -4.220 -5.729 1.00 0.00 C ATOM 580 O TYR A 39 -5.435 -4.413 -5.730 1.00 0.00 O ATOM 581 CB TYR A 39 -3.129 -3.542 -3.591 1.00 0.00 C ATOM 582 CG TYR A 39 -4.282 -4.151 -2.824 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.187 -3.325 -2.145 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.438 -5.540 -2.788 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.250 -3.892 -1.431 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.499 -6.109 -2.074 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.406 -5.284 -1.395 1.00 0.00 C ATOM 588 OH TYR A 39 -7.455 -5.843 -0.692 1.00 0.00 O ATOM 0 H TYR A 39 -5.527 -2.309 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.779 -2.647 -5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.337 -4.280 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.702 -2.713 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.065 -2.252 -2.172 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.739 -6.175 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.949 -3.256 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.619 -7.182 -2.046 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.418 -6.819 -0.770 1.00 0.00 H new ATOM 598 N ARG A 40 -3.360 -5.001 -6.387 1.00 0.00 N ATOM 599 CA ARG A 40 -3.824 -6.153 -7.162 1.00 0.00 C ATOM 600 C ARG A 40 -2.778 -7.265 -7.189 1.00 0.00 C ATOM 601 O ARG A 40 -1.638 -7.069 -6.771 1.00 0.00 O ATOM 602 CB ARG A 40 -4.144 -5.740 -8.601 1.00 0.00 C ATOM 603 CG ARG A 40 -2.895 -5.154 -9.305 1.00 0.00 C ATOM 604 CD ARG A 40 -2.965 -5.456 -10.807 1.00 0.00 C ATOM 605 NE ARG A 40 -1.855 -4.833 -11.517 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.640 -5.369 -11.505 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.412 -6.453 -10.818 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.323 -4.813 -12.188 1.00 0.00 N ATOM 0 H ARG A 40 -2.350 -4.859 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.725 -6.526 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.507 -6.604 -9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.945 -5.001 -8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.844 -4.077 -9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.989 -5.584 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.944 -6.534 -10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.910 -5.092 -11.211 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.015 -3.968 -12.033 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.167 -6.890 -10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.521 -6.864 -10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.142 -3.968 -12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.257 -5.223 -12.180 1.00 0.00 H new ATOM 622 N SER A 41 -3.174 -8.422 -7.710 1.00 0.00 N ATOM 623 CA SER A 41 -2.265 -9.555 -7.821 1.00 0.00 C ATOM 624 C SER A 41 -1.376 -9.391 -9.053 1.00 0.00 C ATOM 625 O SER A 41 -1.846 -8.993 -10.116 1.00 0.00 O ATOM 626 CB SER A 41 -3.066 -10.852 -7.940 1.00 0.00 C ATOM 627 OG SER A 41 -4.124 -10.837 -6.992 1.00 0.00 O ATOM 0 H SER A 41 -4.115 -8.598 -8.061 1.00 0.00 H new ATOM 0 HA SER A 41 -1.640 -9.596 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.467 -10.955 -8.948 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.418 -11.711 -7.766 1.00 0.00 H new ATOM 0 HG SER A 41 -3.794 -10.484 -6.139 1.00 0.00 H new ATOM 633 N LYS A 42 -0.094 -9.705 -8.908 1.00 0.00 N ATOM 634 CA LYS A 42 0.841 -9.591 -10.025 1.00 0.00 C ATOM 635 C LYS A 42 0.478 -10.551 -11.158 1.00 0.00 C ATOM 636 O LYS A 42 0.721 -10.261 -12.330 1.00 0.00 O ATOM 637 CB LYS A 42 2.276 -9.867 -9.552 1.00 0.00 C ATOM 638 CG LYS A 42 2.826 -8.631 -8.827 1.00 0.00 C ATOM 639 CD LYS A 42 4.307 -8.834 -8.505 1.00 0.00 C ATOM 640 CE LYS A 42 4.818 -7.639 -7.700 1.00 0.00 C ATOM 641 NZ LYS A 42 6.307 -7.645 -7.692 1.00 0.00 N ATOM 0 H LYS A 42 0.321 -10.038 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 42 0.776 -8.572 -10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.290 -10.729 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.910 -10.113 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.698 -7.746 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.265 -8.458 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.445 -9.755 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.880 -8.938 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.450 -6.710 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.438 -7.685 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.655 -6.805 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.648 -8.502 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.659 -7.632 -8.670 1.00 0.00 H new ATOM 655 N ASP A 43 -0.080 -11.696 -10.804 1.00 0.00 N ATOM 656 CA ASP A 43 -0.448 -12.702 -11.795 1.00 0.00 C ATOM 657 C ASP A 43 -1.477 -12.168 -12.782 1.00 0.00 C ATOM 658 O ASP A 43 -1.539 -12.619 -13.926 1.00 0.00 O ATOM 659 CB ASP A 43 -1.015 -13.932 -11.097 1.00 0.00 C ATOM 660 CG ASP A 43 -1.373 -14.997 -12.127 1.00 0.00 C ATOM 661 OD1 ASP A 43 -0.842 -14.936 -13.223 1.00 0.00 O ATOM 662 OD2 ASP A 43 -2.175 -15.858 -11.805 1.00 0.00 O ATOM 0 H ASP A 43 -0.289 -11.955 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 43 0.453 -12.966 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.285 -14.328 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.900 -13.659 -10.522 1.00 0.00 H new ATOM 667 N LYS A 44 -2.306 -11.232 -12.331 1.00 0.00 N ATOM 668 CA LYS A 44 -3.354 -10.669 -13.173 1.00 0.00 C ATOM 669 C LYS A 44 -3.338 -9.151 -13.120 1.00 0.00 C ATOM 670 O LYS A 44 -2.686 -8.544 -12.270 1.00 0.00 O ATOM 671 CB LYS A 44 -4.698 -11.185 -12.680 1.00 0.00 C ATOM 672 CG LYS A 44 -4.763 -12.696 -12.920 1.00 0.00 C ATOM 673 CD LYS A 44 -5.981 -13.293 -12.205 1.00 0.00 C ATOM 674 CE LYS A 44 -5.764 -13.260 -10.685 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.620 -14.297 -10.042 1.00 0.00 N ATOM 0 H LYS A 44 -2.272 -10.848 -11.387 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.184 -10.971 -14.206 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.821 -10.965 -11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.511 -10.684 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.824 -12.900 -13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.851 -13.169 -12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.878 -12.731 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.141 -14.319 -12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.715 -13.442 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.011 -12.274 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.475 -14.277 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.619 -14.103 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.364 -15.236 -10.410 1.00 0.00 H new ATOM 689 N GLU A 45 -4.058 -8.553 -14.051 1.00 0.00 N ATOM 690 CA GLU A 45 -4.147 -7.093 -14.154 1.00 0.00 C ATOM 691 C GLU A 45 -5.541 -6.672 -14.610 1.00 0.00 C ATOM 692 O GLU A 45 -5.740 -5.544 -15.059 1.00 0.00 O ATOM 693 CB GLU A 45 -3.124 -6.578 -15.175 1.00 0.00 C ATOM 694 CG GLU A 45 -1.703 -6.829 -14.668 1.00 0.00 C ATOM 695 CD GLU A 45 -0.691 -6.334 -15.697 1.00 0.00 C ATOM 696 OE1 GLU A 45 -1.115 -5.768 -16.691 1.00 0.00 O ATOM 697 OE2 GLU A 45 0.492 -6.534 -15.478 1.00 0.00 O ATOM 0 H GLU A 45 -4.597 -9.054 -14.757 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.942 -6.670 -13.170 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.271 -7.078 -16.132 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.274 -5.512 -15.346 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.550 -6.316 -13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.556 -7.893 -14.483 1.00 0.00 H new ATOM 704 N ASP A 46 -6.499 -7.591 -14.512 1.00 0.00 N ATOM 705 CA ASP A 46 -7.869 -7.313 -14.941 1.00 0.00 C ATOM 706 C ASP A 46 -8.716 -6.743 -13.806 1.00 0.00 C ATOM 707 O ASP A 46 -9.898 -6.457 -13.995 1.00 0.00 O ATOM 708 CB ASP A 46 -8.518 -8.599 -15.456 1.00 0.00 C ATOM 709 CG ASP A 46 -7.738 -9.134 -16.652 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.547 -8.384 -17.595 1.00 0.00 O ATOM 711 OD2 ASP A 46 -7.343 -10.287 -16.609 1.00 0.00 O ATOM 0 H ASP A 46 -6.354 -8.530 -14.141 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.821 -6.568 -15.735 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.542 -9.347 -14.663 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.552 -8.405 -15.743 1.00 0.00 H new ATOM 716 N GLN A 47 -8.123 -6.585 -12.622 1.00 0.00 N ATOM 717 CA GLN A 47 -8.869 -6.053 -11.478 1.00 0.00 C ATOM 718 C GLN A 47 -7.965 -5.271 -10.528 1.00 0.00 C ATOM 719 O GLN A 47 -6.768 -5.540 -10.420 1.00 0.00 O ATOM 720 CB GLN A 47 -9.532 -7.205 -10.715 1.00 0.00 C ATOM 721 CG GLN A 47 -8.514 -8.325 -10.492 1.00 0.00 C ATOM 722 CD GLN A 47 -9.162 -9.472 -9.724 1.00 0.00 C ATOM 723 OE1 GLN A 47 -10.238 -9.248 -9.022 1.00 0.00 O flip ATOM 724 NE2 GLN A 47 -8.673 -10.601 -9.763 1.00 0.00 N flip ATOM 0 H GLN A 47 -7.147 -6.812 -12.430 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.627 -5.370 -11.863 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.912 -6.849 -9.757 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.386 -7.583 -11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.140 -8.684 -11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.657 -7.944 -9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.831 -10.774 -10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.109 -11.364 -9.246 1.00 0.00 H new ATOM 733 N TRP A 48 -8.565 -4.306 -9.828 1.00 0.00 N ATOM 734 CA TRP A 48 -7.843 -3.479 -8.862 1.00 0.00 C ATOM 735 C TRP A 48 -8.724 -3.218 -7.641 1.00 0.00 C ATOM 736 O TRP A 48 -9.754 -2.548 -7.734 1.00 0.00 O ATOM 737 CB TRP A 48 -7.426 -2.145 -9.500 1.00 0.00 C ATOM 738 CG TRP A 48 -6.168 -2.301 -10.303 1.00 0.00 C ATOM 739 CD1 TRP A 48 -6.105 -2.701 -11.595 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.795 -2.041 -9.887 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.779 -2.701 -11.996 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.932 -2.303 -10.977 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.220 -1.610 -8.678 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.548 -2.138 -10.870 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.832 -1.446 -8.569 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.997 -1.708 -9.661 1.00 0.00 C ATOM 0 H TRP A 48 -9.555 -4.078 -9.914 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.944 -4.012 -8.551 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.228 -1.779 -10.141 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.274 -1.398 -8.721 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.949 -2.975 -12.211 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.465 -2.963 -12.930 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.852 -1.404 -7.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.909 -2.342 -11.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.404 -1.115 -7.635 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.929 -1.578 -9.569 1.00 0.00 H new ATOM 757 N LEU A 49 -8.304 -3.751 -6.497 1.00 0.00 N ATOM 758 CA LEU A 49 -9.050 -3.574 -5.250 1.00 0.00 C ATOM 759 C LEU A 49 -8.843 -2.160 -4.717 1.00 0.00 C ATOM 760 O LEU A 49 -7.888 -1.493 -5.097 1.00 0.00 O ATOM 761 CB LEU A 49 -8.580 -4.596 -4.210 1.00 0.00 C ATOM 762 CG LEU A 49 -8.842 -6.021 -4.719 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.245 -7.027 -3.728 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.357 -6.269 -4.858 1.00 0.00 C ATOM 0 H LEU A 49 -7.454 -4.308 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.111 -3.729 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.517 -4.462 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.104 -4.435 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.376 -6.143 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.428 -8.041 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.171 -6.860 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.711 -6.896 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.528 -7.283 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.837 -6.144 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.779 -5.555 -5.566 1.00 0.00 H new ATOM 776 N GLU A 50 -9.752 -1.697 -3.850 1.00 0.00 N ATOM 777 CA GLU A 50 -9.659 -0.341 -3.284 1.00 0.00 C ATOM 778 C GLU A 50 -9.490 -0.378 -1.766 1.00 0.00 C ATOM 779 O GLU A 50 -9.907 -1.325 -1.102 1.00 0.00 O ATOM 780 CB GLU A 50 -10.915 0.457 -3.633 1.00 0.00 C ATOM 781 CG GLU A 50 -12.149 -0.336 -3.207 1.00 0.00 C ATOM 782 CD GLU A 50 -13.410 0.487 -3.442 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.472 1.161 -4.458 1.00 0.00 O ATOM 784 OE2 GLU A 50 -14.294 0.432 -2.603 1.00 0.00 O ATOM 0 H GLU A 50 -10.556 -2.235 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.781 0.139 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.898 1.424 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.948 0.656 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.204 -1.268 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.072 -0.604 -2.153 1.00 0.00 H new ATOM 791 N LYS A 51 -8.869 0.675 -1.231 1.00 0.00 N ATOM 792 CA LYS A 51 -8.630 0.785 0.204 1.00 0.00 C ATOM 793 C LYS A 51 -8.440 2.261 0.562 1.00 0.00 C ATOM 794 O LYS A 51 -7.468 2.885 0.152 1.00 0.00 O ATOM 795 CB LYS A 51 -7.388 -0.068 0.562 1.00 0.00 C ATOM 796 CG LYS A 51 -6.818 0.253 1.977 1.00 0.00 C ATOM 797 CD LYS A 51 -7.350 -0.740 3.027 1.00 0.00 C ATOM 798 CE LYS A 51 -8.854 -0.538 3.249 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.223 -1.049 4.599 1.00 0.00 N ATOM 0 H LYS A 51 -8.522 1.465 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.476 0.410 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.653 -1.124 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.611 0.100 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.729 0.212 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.092 1.269 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.160 -1.762 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.817 -0.603 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.107 0.519 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.421 -1.064 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.242 -0.914 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.994 -2.062 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.690 -0.528 5.325 1.00 0.00 H new ATOM 813 N LYS A 52 -9.378 2.818 1.332 1.00 0.00 N ATOM 814 CA LYS A 52 -9.298 4.230 1.731 1.00 0.00 C ATOM 815 C LYS A 52 -8.661 4.362 3.112 1.00 0.00 C ATOM 816 O LYS A 52 -8.884 3.525 3.987 1.00 0.00 O ATOM 817 CB LYS A 52 -10.707 4.837 1.775 1.00 0.00 C ATOM 818 CG LYS A 52 -11.420 4.653 0.426 1.00 0.00 C ATOM 819 CD LYS A 52 -10.907 5.672 -0.597 1.00 0.00 C ATOM 820 CE LYS A 52 -11.709 5.529 -1.895 1.00 0.00 C ATOM 821 NZ LYS A 52 -13.124 5.926 -1.651 1.00 0.00 N ATOM 0 H LYS A 52 -10.194 2.322 1.690 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.685 4.759 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.288 4.363 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.644 5.898 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.253 3.642 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.496 4.771 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.007 6.683 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.847 5.509 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.274 6.154 -2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.665 4.500 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.571 6.190 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.641 5.128 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.150 6.738 -1.001 1.00 0.00 H new ATOM 835 N VAL A 53 -7.866 5.421 3.308 1.00 0.00 N ATOM 836 CA VAL A 53 -7.204 5.649 4.597 1.00 0.00 C ATOM 837 C VAL A 53 -7.302 7.117 4.998 1.00 0.00 C ATOM 838 O VAL A 53 -7.542 7.993 4.167 1.00 0.00 O ATOM 839 CB VAL A 53 -5.725 5.207 4.542 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.275 4.676 5.906 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.542 4.124 3.476 1.00 0.00 C ATOM 0 H VAL A 53 -7.667 6.126 2.598 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.714 5.047 5.349 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.113 6.071 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.231 4.369 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.383 5.460 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.891 3.821 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.496 3.818 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.164 3.263 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.835 4.518 2.503 1.00 0.00 H new ATOM 851 N GLN A 54 -7.105 7.364 6.282 1.00 0.00 N ATOM 852 CA GLN A 54 -7.160 8.712 6.826 1.00 0.00 C ATOM 853 C GLN A 54 -5.854 9.448 6.533 1.00 0.00 C ATOM 854 O GLN A 54 -4.792 8.833 6.442 1.00 0.00 O ATOM 855 CB GLN A 54 -7.418 8.642 8.338 1.00 0.00 C ATOM 856 CG GLN A 54 -7.539 10.058 8.927 1.00 0.00 C ATOM 857 CD GLN A 54 -8.380 10.035 10.201 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.016 11.033 10.541 1.00 0.00 O ATOM 859 NE2 GLN A 54 -8.420 8.953 10.928 1.00 0.00 N ATOM 0 H GLN A 54 -6.904 6.642 6.973 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.974 9.263 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.332 8.081 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.605 8.106 8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.547 10.454 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.994 10.725 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.892 8.128 10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.979 8.932 11.781 1.00 0.00 H new ATOM 868 N GLY A 55 -5.944 10.762 6.362 1.00 0.00 N ATOM 869 CA GLY A 55 -4.770 11.569 6.051 1.00 0.00 C ATOM 870 C GLY A 55 -3.820 11.675 7.240 1.00 0.00 C ATOM 871 O GLY A 55 -2.798 12.358 7.165 1.00 0.00 O ATOM 0 H GLY A 55 -6.814 11.290 6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.243 11.131 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.086 12.568 5.749 1.00 0.00 H new ATOM 875 N ASN A 56 -4.160 11.000 8.338 1.00 0.00 N ATOM 876 CA ASN A 56 -3.327 11.026 9.547 1.00 0.00 C ATOM 877 C ASN A 56 -2.886 9.619 9.936 1.00 0.00 C ATOM 878 O ASN A 56 -1.966 9.448 10.735 1.00 0.00 O ATOM 879 CB ASN A 56 -4.113 11.648 10.705 1.00 0.00 C ATOM 880 CG ASN A 56 -3.164 12.013 11.841 1.00 0.00 C ATOM 881 OD1 ASN A 56 -3.112 11.318 12.856 1.00 0.00 O ATOM 882 ND2 ASN A 56 -2.407 13.070 11.731 1.00 0.00 N ATOM 0 H ASN A 56 -5.002 10.430 8.418 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.441 11.624 9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.641 12.537 10.361 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.868 10.947 11.061 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.770 13.322 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.452 13.644 10.889 1.00 0.00 H new ATOM 889 N LYS A 57 -3.545 8.609 9.372 1.00 0.00 N ATOM 890 CA LYS A 57 -3.201 7.225 9.682 1.00 0.00 C ATOM 891 C LYS A 57 -1.771 6.924 9.238 1.00 0.00 C ATOM 892 O LYS A 57 -0.975 6.378 10.001 1.00 0.00 O ATOM 893 CB LYS A 57 -4.204 6.280 8.978 1.00 0.00 C ATOM 894 CG LYS A 57 -5.230 5.750 9.995 1.00 0.00 C ATOM 895 CD LYS A 57 -6.327 4.964 9.278 1.00 0.00 C ATOM 896 CE LYS A 57 -7.287 4.372 10.311 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.358 3.604 9.616 1.00 0.00 N ATOM 0 H LYS A 57 -4.310 8.721 8.707 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.260 7.067 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.716 6.812 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.671 5.447 8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.733 5.111 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.669 6.581 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.869 5.617 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.886 4.168 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.744 3.720 10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.728 5.168 10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.010 3.202 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.883 4.238 8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.930 2.835 9.062 1.00 0.00 H new ATOM 911 N ASP A 58 -1.454 7.305 8.012 1.00 0.00 N ATOM 912 CA ASP A 58 -0.122 7.100 7.476 1.00 0.00 C ATOM 913 C ASP A 58 0.299 5.615 7.569 1.00 0.00 C ATOM 914 O ASP A 58 1.470 5.293 7.770 1.00 0.00 O ATOM 915 CB ASP A 58 0.862 8.063 8.214 1.00 0.00 C ATOM 916 CG ASP A 58 1.836 7.332 9.142 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.436 6.987 10.242 1.00 0.00 O ATOM 918 OD2 ASP A 58 2.965 7.128 8.731 1.00 0.00 O ATOM 0 H ASP A 58 -2.103 7.759 7.369 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.103 7.339 6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.429 8.629 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.287 8.784 8.796 1.00 0.00 H new ATOM 923 N HIS A 59 -0.661 4.702 7.401 1.00 0.00 N ATOM 924 CA HIS A 59 -0.357 3.270 7.468 1.00 0.00 C ATOM 925 C HIS A 59 -1.595 2.431 7.133 1.00 0.00 C ATOM 926 O HIS A 59 -2.729 2.888 7.280 1.00 0.00 O ATOM 927 CB HIS A 59 0.205 2.913 8.875 1.00 0.00 C ATOM 928 CG HIS A 59 -0.828 2.218 9.726 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.818 2.903 10.411 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.028 0.892 10.002 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.565 1.992 11.061 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.124 0.748 10.846 1.00 0.00 N ATOM 0 H HIS A 59 -1.640 4.923 7.220 1.00 0.00 H new ATOM 0 HA HIS A 59 0.404 3.037 6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.079 2.271 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.538 3.822 9.376 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.426 0.080 9.622 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.416 2.235 11.680 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.509 -0.119 11.220 1.00 0.00 H new ATOM 940 N ILE A 60 -1.358 1.197 6.693 1.00 0.00 N ATOM 941 CA ILE A 60 -2.448 0.285 6.348 1.00 0.00 C ATOM 942 C ILE A 60 -1.988 -1.164 6.449 1.00 0.00 C ATOM 943 O ILE A 60 -0.801 -1.466 6.326 1.00 0.00 O ATOM 944 CB ILE A 60 -2.961 0.563 4.914 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.824 1.150 4.074 1.00 0.00 C ATOM 946 CG2 ILE A 60 -4.138 1.541 4.934 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.311 1.387 2.648 1.00 0.00 C ATOM 0 H ILE A 60 -0.424 0.806 6.567 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.260 0.453 7.056 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.301 -0.377 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.481 2.087 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.973 0.469 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.480 1.720 3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.953 1.118 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.821 2.483 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.500 1.805 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.633 0.441 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.149 2.084 2.661 1.00 0.00 H new ATOM 959 N ILE A 61 -2.952 -2.052 6.662 1.00 0.00 N ATOM 960 CA ILE A 61 -2.678 -3.482 6.771 1.00 0.00 C ATOM 961 C ILE A 61 -3.472 -4.245 5.709 1.00 0.00 C ATOM 962 O ILE A 61 -4.688 -4.387 5.823 1.00 0.00 O ATOM 963 CB ILE A 61 -3.097 -3.961 8.165 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.409 -3.103 9.240 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.716 -5.426 8.350 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.876 -3.167 9.110 1.00 0.00 C ATOM 0 H ILE A 61 -3.937 -1.806 6.763 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.614 -3.664 6.618 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.178 -3.861 8.265 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.741 -2.069 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.707 -3.449 10.230 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.018 -5.758 9.344 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.221 -6.031 7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.637 -5.538 8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.419 -2.550 9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.544 -4.199 9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.578 -2.797 8.129 1.00 0.00 H new ATOM 978 N LEU A 62 -2.781 -4.746 4.680 1.00 0.00 N ATOM 979 CA LEU A 62 -3.453 -5.503 3.618 1.00 0.00 C ATOM 980 C LEU A 62 -3.419 -6.991 3.957 1.00 0.00 C ATOM 981 O LEU A 62 -2.371 -7.631 3.891 1.00 0.00 O ATOM 982 CB LEU A 62 -2.766 -5.286 2.255 1.00 0.00 C ATOM 983 CG LEU A 62 -2.751 -3.796 1.826 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.108 -3.129 2.080 1.00 0.00 C ATOM 985 CD2 LEU A 62 -1.655 -3.024 2.578 1.00 0.00 C ATOM 0 H LEU A 62 -1.773 -4.644 4.560 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.482 -5.150 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.742 -5.656 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.281 -5.874 1.495 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.542 -3.769 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.064 -2.085 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.880 -3.646 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.346 -3.181 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.662 -1.981 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.842 -3.079 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.683 -3.464 2.356 1.00 0.00 H new ATOM 997 N GLU A 63 -4.576 -7.525 4.336 1.00 0.00 N ATOM 998 CA GLU A 63 -4.695 -8.935 4.710 1.00 0.00 C ATOM 999 C GLU A 63 -5.006 -9.813 3.500 1.00 0.00 C ATOM 1000 O GLU A 63 -5.544 -9.344 2.499 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.823 -9.091 5.735 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.434 -8.400 7.045 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.601 -8.443 8.023 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.007 -9.537 8.382 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -7.075 -7.383 8.398 1.00 0.00 O ATOM 0 H GLU A 63 -5.450 -7.002 4.393 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.741 -9.253 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.744 -8.658 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.019 -10.148 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.565 -8.892 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.150 -7.366 6.850 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.678 -11.100 3.626 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.929 -12.083 2.578 1.00 0.00 C ATOM 1014 C HIS A 64 -3.971 -11.913 1.404 1.00 0.00 C ATOM 1015 O HIS A 64 -4.379 -11.536 0.307 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.374 -11.964 2.098 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.270 -11.682 3.272 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.196 -12.053 4.593 1.00 0.00 N flip ATOM 1019 CD2 HIS A 64 -8.423 -10.922 3.157 1.00 0.00 C flip ATOM 1020 CE1 HIS A 64 -8.284 -11.534 5.288 1.00 0.00 C flip ATOM 1021 NE2 HIS A 64 -8.992 -10.861 4.376 1.00 0.00 N flip ATOM 0 H HIS A 64 -4.232 -11.487 4.457 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.762 -13.075 2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.459 -11.165 1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.682 -12.886 1.605 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.797 -10.462 2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.508 -11.650 6.338 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.858 -10.362 4.579 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.693 -12.213 1.645 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.663 -12.112 0.608 1.00 0.00 C ATOM 1031 C LEU A 65 -0.929 -13.444 0.467 1.00 0.00 C ATOM 1032 O LEU A 65 0.147 -13.622 1.033 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.651 -11.030 0.992 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.374 -9.707 1.268 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.357 -8.669 1.752 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.058 -9.203 -0.013 1.00 0.00 C ATOM 0 H LEU A 65 -2.346 -12.528 2.551 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.142 -11.857 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.093 -11.340 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.073 -10.897 0.188 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.133 -9.863 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.866 -7.726 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.118 -9.024 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.402 -8.518 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.569 -8.263 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.308 -9.046 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.783 -9.943 -0.354 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.514 -14.379 -0.283 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.901 -15.698 -0.478 1.00 0.00 C ATOM 1050 C GLN A 66 0.624 -15.602 -0.565 1.00 0.00 C ATOM 1051 O GLN A 66 1.170 -14.662 -1.141 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.459 -16.354 -1.741 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.900 -16.801 -1.490 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.497 -17.383 -2.767 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.852 -18.180 -3.447 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -4.701 -17.035 -3.131 1.00 0.00 N ATOM 0 H GLN A 66 -2.405 -14.251 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.148 -16.312 0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.425 -15.652 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.845 -17.210 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.925 -17.546 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.498 -15.955 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.234 -16.374 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.109 -17.424 -3.981 1.00 0.00 H new ATOM 1065 N TRP A 67 1.295 -16.580 0.037 1.00 0.00 N ATOM 1066 CA TRP A 67 2.755 -16.613 0.065 1.00 0.00 C ATOM 1067 C TRP A 67 3.336 -17.022 -1.287 1.00 0.00 C ATOM 1068 O TRP A 67 4.554 -16.995 -1.473 1.00 0.00 O ATOM 1069 CB TRP A 67 3.222 -17.633 1.105 1.00 0.00 C ATOM 1070 CG TRP A 67 2.676 -17.290 2.454 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.512 -17.766 2.950 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.242 -16.429 3.490 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.329 -17.262 4.223 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.364 -16.432 4.601 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.414 -15.655 3.577 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.640 -15.696 5.754 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.694 -14.912 4.738 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.806 -14.934 5.825 1.00 0.00 C ATOM 0 H TRP A 67 0.849 -17.364 0.514 1.00 0.00 H new ATOM 0 HA TRP A 67 3.100 -15.609 0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.895 -18.632 0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.311 -17.653 1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.835 -18.432 2.435 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.525 -17.478 4.813 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.104 -15.631 2.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.954 -15.716 6.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.597 -14.322 4.793 1.00 0.00 H new ATOM 0 HH2 TRP A 67 4.025 -14.362 6.714 1.00 0.00 H new ATOM 1089 N THR A 68 2.475 -17.431 -2.218 1.00 0.00 N ATOM 1090 CA THR A 68 2.931 -17.879 -3.538 1.00 0.00 C ATOM 1091 C THR A 68 2.493 -16.918 -4.635 1.00 0.00 C ATOM 1092 O THR A 68 2.517 -17.264 -5.817 1.00 0.00 O ATOM 1093 CB THR A 68 2.368 -19.271 -3.817 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.955 -19.195 -3.933 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.739 -20.203 -2.661 1.00 0.00 C ATOM 0 H THR A 68 1.464 -17.462 -2.087 1.00 0.00 H new ATOM 0 HA THR A 68 4.021 -17.907 -3.535 1.00 0.00 H new ATOM 0 HB THR A 68 2.785 -19.658 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.593 -20.088 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.340 -21.199 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.824 -20.258 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.318 -19.817 -1.733 1.00 0.00 H new ATOM 1103 N MET A 69 2.102 -15.711 -4.246 1.00 0.00 N ATOM 1104 CA MET A 69 1.671 -14.706 -5.213 1.00 0.00 C ATOM 1105 C MET A 69 2.124 -13.327 -4.772 1.00 0.00 C ATOM 1106 O MET A 69 2.098 -13.002 -3.588 1.00 0.00 O ATOM 1107 CB MET A 69 0.148 -14.712 -5.346 1.00 0.00 C ATOM 1108 CG MET A 69 -0.306 -15.910 -6.183 1.00 0.00 C ATOM 1109 SD MET A 69 -2.048 -15.692 -6.609 1.00 0.00 S ATOM 1110 CE MET A 69 -1.785 -14.682 -8.091 1.00 0.00 C ATOM 0 H MET A 69 2.074 -15.404 -3.274 1.00 0.00 H new ATOM 0 HA MET A 69 2.119 -14.947 -6.177 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.310 -14.755 -4.358 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.187 -13.786 -5.812 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.297 -15.989 -7.087 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.166 -16.836 -5.625 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.584 -13.945 -8.176 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.826 -14.170 -8.017 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.787 -15.323 -8.973 1.00 0.00 H new ATOM 1120 N GLY A 70 2.519 -12.513 -5.739 1.00 0.00 N ATOM 1121 CA GLY A 70 2.959 -11.158 -5.447 1.00 0.00 C ATOM 1122 C GLY A 70 1.799 -10.183 -5.595 1.00 0.00 C ATOM 1123 O GLY A 70 0.770 -10.517 -6.183 1.00 0.00 O ATOM 0 H GLY A 70 2.544 -12.765 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.358 -11.108 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.767 -10.877 -6.122 1.00 0.00 H new ATOM 1127 N TYR A 71 1.960 -8.978 -5.055 1.00 0.00 N ATOM 1128 CA TYR A 71 0.905 -7.967 -5.131 1.00 0.00 C ATOM 1129 C TYR A 71 1.491 -6.562 -5.236 1.00 0.00 C ATOM 1130 O TYR A 71 2.435 -6.219 -4.525 1.00 0.00 O ATOM 1131 CB TYR A 71 0.021 -8.046 -3.885 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.679 -9.383 -3.838 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.035 -10.493 -3.280 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -1.976 -9.510 -4.351 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -0.687 -11.732 -3.234 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -2.628 -10.748 -4.304 1.00 0.00 C ATOM 1137 CZ TYR A 71 -1.984 -11.859 -3.746 1.00 0.00 C ATOM 1138 OH TYR A 71 -2.629 -13.078 -3.699 1.00 0.00 O ATOM 0 H TYR A 71 2.802 -8.678 -4.564 1.00 0.00 H new ATOM 0 HA TYR A 71 0.314 -8.167 -6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.627 -7.911 -2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.714 -7.241 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.965 -10.394 -2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.473 -8.654 -4.782 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.190 -12.589 -2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.629 -10.846 -4.698 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.521 -12.992 -4.095 1.00 0.00 H new ATOM 1148 N GLU A 72 0.907 -5.744 -6.113 1.00 0.00 N ATOM 1149 CA GLU A 72 1.359 -4.360 -6.290 1.00 0.00 C ATOM 1150 C GLU A 72 0.458 -3.430 -5.481 1.00 0.00 C ATOM 1151 O GLU A 72 -0.718 -3.720 -5.292 1.00 0.00 O ATOM 1152 CB GLU A 72 1.319 -3.960 -7.782 1.00 0.00 C ATOM 1153 CG GLU A 72 1.467 -5.205 -8.661 1.00 0.00 C ATOM 1154 CD GLU A 72 1.922 -4.810 -10.062 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.999 -3.621 -10.326 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.184 -5.702 -10.853 1.00 0.00 O ATOM 0 H GLU A 72 0.124 -6.012 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 72 2.388 -4.276 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.379 -3.455 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.120 -3.254 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.189 -5.890 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.516 -5.736 -8.716 1.00 0.00 H new ATOM 1163 N VAL A 73 1.013 -2.316 -5.015 1.00 0.00 N ATOM 1164 CA VAL A 73 0.239 -1.342 -4.232 1.00 0.00 C ATOM 1165 C VAL A 73 0.396 0.045 -4.832 1.00 0.00 C ATOM 1166 O VAL A 73 1.502 0.467 -5.151 1.00 0.00 O ATOM 1167 CB VAL A 73 0.720 -1.319 -2.772 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.391 -0.783 -1.863 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.100 -2.741 -2.342 1.00 0.00 C ATOM 0 H VAL A 73 1.990 -2.060 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.810 -1.637 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 73 1.589 -0.667 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.042 -0.770 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.655 0.229 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.267 -1.426 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.442 -2.729 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.230 -3.392 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.898 -3.114 -2.983 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.717 0.753 -4.982 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.695 2.099 -5.542 1.00 0.00 C ATOM 1181 C GLN A 74 -1.352 3.070 -4.575 1.00 0.00 C ATOM 1182 O GLN A 74 -2.570 3.077 -4.396 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.411 2.100 -6.886 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.444 3.515 -7.465 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.045 3.491 -8.867 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.505 2.446 -9.326 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.062 4.583 -9.579 1.00 0.00 N ATOM 0 H GLN A 74 -1.645 0.418 -4.724 1.00 0.00 H new ATOM 0 HA GLN A 74 0.336 2.418 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.903 1.428 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.427 1.725 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.032 4.167 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.435 3.926 -7.500 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.680 5.448 -9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.457 4.573 -10.519 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.513 3.879 -3.946 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.959 4.867 -2.968 1.00 0.00 C ATOM 1198 C ILE A 75 -1.199 6.212 -3.639 1.00 0.00 C ATOM 1199 O ILE A 75 -0.359 6.699 -4.378 1.00 0.00 O ATOM 1200 CB ILE A 75 0.133 4.980 -1.873 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.166 4.022 -0.721 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.272 6.409 -1.333 1.00 0.00 C ATOM 1203 CD1 ILE A 75 -0.099 2.582 -1.229 1.00 0.00 C ATOM 0 H ILE A 75 0.496 3.871 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.903 4.557 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 75 1.080 4.709 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.553 4.169 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.154 4.228 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.049 6.435 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.541 7.081 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.675 6.727 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.312 1.897 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.835 2.441 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.898 2.380 -1.621 1.00 0.00 H new ATOM 1215 N THR A 76 -2.341 6.827 -3.348 1.00 0.00 N ATOM 1216 CA THR A 76 -2.655 8.142 -3.903 1.00 0.00 C ATOM 1217 C THR A 76 -3.202 9.027 -2.794 1.00 0.00 C ATOM 1218 O THR A 76 -4.198 8.695 -2.160 1.00 0.00 O ATOM 1219 CB THR A 76 -3.672 8.027 -5.040 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.272 6.999 -5.934 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.746 9.355 -5.794 1.00 0.00 C ATOM 0 H THR A 76 -3.060 6.441 -2.736 1.00 0.00 H new ATOM 0 HA THR A 76 -1.747 8.583 -4.313 1.00 0.00 H new ATOM 0 HB THR A 76 -4.651 7.787 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.925 6.925 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.471 9.273 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.054 10.145 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.766 9.594 -6.206 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.542 10.152 -2.560 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.965 11.078 -1.512 1.00 0.00 C ATOM 1231 C ALA A 77 -3.860 12.154 -2.120 1.00 0.00 C ATOM 1232 O ALA A 77 -3.488 12.795 -3.101 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.715 11.705 -0.871 1.00 0.00 C ATOM 0 H ALA A 77 -1.714 10.448 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.532 10.552 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.017 12.399 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.094 10.919 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.147 12.242 -1.631 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.054 12.337 -1.553 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.995 13.329 -2.081 1.00 0.00 C ATOM 1241 C ALA A 78 -5.985 14.618 -1.272 1.00 0.00 C ATOM 1242 O ALA A 78 -6.429 14.659 -0.126 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.410 12.749 -2.093 1.00 0.00 C ATOM 0 H ALA A 78 -5.390 11.820 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.677 13.569 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.104 13.491 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.434 11.860 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.702 12.481 -1.078 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.505 15.684 -1.908 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.452 17.010 -1.291 1.00 0.00 C ATOM 1251 C ASN A 79 -6.299 17.970 -2.109 1.00 0.00 C ATOM 1252 O ASN A 79 -7.082 17.551 -2.961 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.003 17.520 -1.246 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.297 17.250 -2.573 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.696 16.360 -3.324 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.266 17.974 -2.906 1.00 0.00 N ATOM 0 H ASN A 79 -5.143 15.655 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.834 16.947 -0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.994 18.589 -1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.464 17.030 -0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.788 17.804 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.937 18.711 -2.282 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.128 19.258 -1.863 1.00 0.00 N ATOM 1264 CA ARG A 80 -6.878 20.261 -2.609 1.00 0.00 C ATOM 1265 C ARG A 80 -6.725 19.994 -4.102 1.00 0.00 C ATOM 1266 O ARG A 80 -7.631 20.260 -4.892 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.363 21.663 -2.275 1.00 0.00 C ATOM 1268 CG ARG A 80 -6.776 22.033 -0.848 1.00 0.00 C ATOM 1269 CD ARG A 80 -6.207 23.409 -0.496 1.00 0.00 C ATOM 1270 NE ARG A 80 -6.619 23.795 0.850 1.00 0.00 N ATOM 1271 CZ ARG A 80 -6.126 24.881 1.434 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -5.246 25.614 0.810 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -6.519 25.214 2.633 1.00 0.00 N ATOM 0 H ARG A 80 -5.487 19.633 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 80 -7.931 20.203 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.278 21.696 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.767 22.388 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.863 22.044 -0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.409 21.285 -0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.119 23.388 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.554 24.149 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.297 23.221 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.937 25.353 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.867 26.448 1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.205 24.640 3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.140 26.048 3.081 1.00 0.00 H new ATOM 1287 N LEU A 81 -5.575 19.435 -4.475 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.309 19.096 -5.868 1.00 0.00 C ATOM 1289 C LEU A 81 -6.306 18.034 -6.325 1.00 0.00 C ATOM 1290 O LEU A 81 -6.788 18.052 -7.458 1.00 0.00 O ATOM 1291 CB LEU A 81 -3.872 18.555 -6.018 1.00 0.00 C ATOM 1292 CG LEU A 81 -2.876 19.719 -6.091 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.089 20.652 -4.897 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -1.444 19.169 -6.062 1.00 0.00 C ATOM 0 H LEU A 81 -4.816 19.209 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.414 19.990 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.628 17.910 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.797 17.945 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.034 20.274 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.381 21.479 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.106 21.044 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.932 20.099 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.736 19.996 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.286 18.613 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.291 18.506 -6.914 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.588 17.098 -5.420 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.507 15.992 -5.690 1.00 0.00 C ATOM 1308 C GLY A 82 -6.750 14.686 -5.565 1.00 0.00 C ATOM 1309 O GLY A 82 -7.191 13.745 -4.905 1.00 0.00 O ATOM 0 H GLY A 82 -6.188 17.084 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.340 16.014 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.930 16.089 -6.690 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.583 14.665 -6.184 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.702 13.514 -6.135 1.00 0.00 C ATOM 1315 C TYR A 83 -3.283 13.995 -6.393 1.00 0.00 C ATOM 1316 O TYR A 83 -3.039 14.706 -7.368 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.101 12.476 -7.182 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.602 12.332 -7.213 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.374 13.229 -7.961 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.226 11.301 -6.498 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.766 13.096 -7.995 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.619 11.170 -6.533 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.389 12.066 -7.282 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.762 11.935 -7.316 1.00 0.00 O ATOM 0 H TYR A 83 -5.221 15.444 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.773 13.040 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.735 12.777 -8.164 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.639 11.516 -6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.894 14.024 -8.512 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.632 10.608 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.360 13.789 -8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.100 10.376 -5.981 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.031 11.168 -6.768 1.00 0.00 H new ATOM 1334 N SER A 84 -2.354 13.621 -5.522 1.00 0.00 N ATOM 1335 CA SER A 84 -0.963 14.040 -5.675 1.00 0.00 C ATOM 1336 C SER A 84 -0.091 12.835 -5.985 1.00 0.00 C ATOM 1337 O SER A 84 -0.386 11.726 -5.539 1.00 0.00 O ATOM 1338 CB SER A 84 -0.494 14.731 -4.389 1.00 0.00 C ATOM 1339 OG SER A 84 -0.895 16.093 -4.422 1.00 0.00 O ATOM 0 H SER A 84 -2.534 13.033 -4.708 1.00 0.00 H new ATOM 0 HA SER A 84 -0.882 14.745 -6.503 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.921 14.234 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.590 14.660 -4.297 1.00 0.00 H new ATOM 0 HG SER A 84 -1.721 16.178 -4.942 1.00 0.00 H new ATOM 1345 N GLU A 85 0.974 13.076 -6.763 1.00 0.00 N ATOM 1346 CA GLU A 85 1.928 12.033 -7.176 1.00 0.00 C ATOM 1347 C GLU A 85 1.740 10.734 -6.372 1.00 0.00 C ATOM 1348 O GLU A 85 2.230 10.637 -5.247 1.00 0.00 O ATOM 1349 CB GLU A 85 3.361 12.557 -6.972 1.00 0.00 C ATOM 1350 CG GLU A 85 3.815 13.339 -8.213 1.00 0.00 C ATOM 1351 CD GLU A 85 2.788 14.410 -8.562 1.00 0.00 C ATOM 1352 OE1 GLU A 85 2.786 15.440 -7.908 1.00 0.00 O ATOM 1353 OE2 GLU A 85 2.015 14.184 -9.480 1.00 0.00 O ATOM 0 H GLU A 85 1.200 14.002 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 85 1.747 11.803 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.400 13.200 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.039 11.724 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.785 13.801 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.943 12.658 -9.055 1.00 0.00 H new ATOM 1360 N PRO A 86 1.037 9.746 -6.892 1.00 0.00 N ATOM 1361 CA PRO A 86 0.813 8.483 -6.140 1.00 0.00 C ATOM 1362 C PRO A 86 2.093 7.656 -6.050 1.00 0.00 C ATOM 1363 O PRO A 86 2.996 7.816 -6.872 1.00 0.00 O ATOM 1364 CB PRO A 86 -0.274 7.756 -6.942 1.00 0.00 C ATOM 1365 CG PRO A 86 -0.135 8.266 -8.341 1.00 0.00 C ATOM 1366 CD PRO A 86 0.399 9.701 -8.228 1.00 0.00 C ATOM 0 HA PRO A 86 0.514 8.660 -5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.137 6.675 -6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.266 7.967 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.549 7.641 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.094 8.248 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.115 9.923 -9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.405 10.433 -8.311 1.00 0.00 H new ATOM 1374 N THR A 87 2.162 6.759 -5.065 1.00 0.00 N ATOM 1375 CA THR A 87 3.324 5.906 -4.904 1.00 0.00 C ATOM 1376 C THR A 87 3.003 4.504 -5.351 1.00 0.00 C ATOM 1377 O THR A 87 2.204 3.799 -4.735 1.00 0.00 O ATOM 1378 CB THR A 87 3.797 5.847 -3.460 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.020 7.160 -2.968 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.093 5.042 -3.392 1.00 0.00 C ATOM 0 H THR A 87 1.427 6.610 -4.374 1.00 0.00 H new ATOM 0 HA THR A 87 4.117 6.336 -5.515 1.00 0.00 H new ATOM 0 HB THR A 87 3.034 5.368 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.323 7.113 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.439 4.995 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.914 4.032 -3.761 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.853 5.523 -4.007 1.00 0.00 H new ATOM 1388 N VAL A 88 3.662 4.103 -6.410 1.00 0.00 N ATOM 1389 CA VAL A 88 3.491 2.766 -6.953 1.00 0.00 C ATOM 1390 C VAL A 88 4.521 1.852 -6.314 1.00 0.00 C ATOM 1391 O VAL A 88 5.664 1.768 -6.768 1.00 0.00 O ATOM 1392 CB VAL A 88 3.675 2.787 -8.470 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.283 1.428 -9.053 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.780 3.873 -9.071 1.00 0.00 C ATOM 0 H VAL A 88 4.328 4.683 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 88 2.487 2.402 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 88 4.718 2.996 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.415 1.445 -10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.915 0.651 -8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.240 1.218 -8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.908 3.892 -10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.738 3.659 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.056 4.843 -8.656 1.00 0.00 H new ATOM 1404 N TYR A 89 4.109 1.178 -5.248 1.00 0.00 N ATOM 1405 CA TYR A 89 4.999 0.271 -4.523 1.00 0.00 C ATOM 1406 C TYR A 89 4.747 -1.163 -4.966 1.00 0.00 C ATOM 1407 O TYR A 89 3.608 -1.620 -4.982 1.00 0.00 O ATOM 1408 CB TYR A 89 4.763 0.405 -3.017 1.00 0.00 C ATOM 1409 CG TYR A 89 5.606 -0.605 -2.259 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.003 -0.616 -2.410 1.00 0.00 C ATOM 1411 CD2 TYR A 89 4.992 -1.528 -1.403 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.774 -1.545 -1.709 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.769 -2.457 -0.700 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.160 -2.467 -0.854 1.00 0.00 C ATOM 1415 OH TYR A 89 7.925 -3.382 -0.163 1.00 0.00 O ATOM 0 H TYR A 89 3.166 1.240 -4.864 1.00 0.00 H new ATOM 0 HA TYR A 89 6.034 0.533 -4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.013 1.415 -2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.708 0.250 -2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.480 0.094 -3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.918 -1.523 -1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.848 -1.552 -1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.294 -3.166 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 89 7.342 -3.947 0.386 1.00 0.00 H new ATOM 1425 N GLU A 90 5.812 -1.867 -5.348 1.00 0.00 N ATOM 1426 CA GLU A 90 5.688 -3.250 -5.812 1.00 0.00 C ATOM 1427 C GLU A 90 6.628 -4.174 -5.048 1.00 0.00 C ATOM 1428 O GLU A 90 7.824 -3.909 -4.926 1.00 0.00 O ATOM 1429 CB GLU A 90 6.007 -3.307 -7.308 1.00 0.00 C ATOM 1430 CG GLU A 90 7.244 -2.453 -7.598 1.00 0.00 C ATOM 1431 CD GLU A 90 7.643 -2.589 -9.062 1.00 0.00 C ATOM 1432 OE1 GLU A 90 8.223 -3.607 -9.406 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.364 -1.676 -9.821 1.00 0.00 O ATOM 0 H GLU A 90 6.766 -1.506 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 90 4.667 -3.588 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.184 -4.338 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.157 -2.944 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.037 -1.408 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.069 -2.765 -6.958 1.00 0.00 H new ATOM 1440 N PHE A 91 6.068 -5.266 -4.546 1.00 0.00 N ATOM 1441 CA PHE A 91 6.844 -6.250 -3.802 1.00 0.00 C ATOM 1442 C PHE A 91 6.109 -7.586 -3.794 1.00 0.00 C ATOM 1443 O PHE A 91 4.937 -7.650 -3.422 1.00 0.00 O ATOM 1444 CB PHE A 91 7.077 -5.757 -2.365 1.00 0.00 C ATOM 1445 CG PHE A 91 5.813 -5.920 -1.543 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.737 -5.045 -1.732 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.720 -6.948 -0.597 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.568 -5.197 -0.973 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.553 -7.099 0.160 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.476 -6.225 -0.027 1.00 0.00 C ATOM 0 H PHE A 91 5.078 -5.493 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 91 7.812 -6.384 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.892 -6.319 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.379 -4.710 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.807 -4.253 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.549 -7.625 -0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.738 -4.521 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.483 -7.892 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.576 -6.343 0.557 1.00 0.00 H new ATOM 1460 N SER A 92 6.790 -8.651 -4.204 1.00 0.00 N ATOM 1461 CA SER A 92 6.160 -9.966 -4.231 1.00 0.00 C ATOM 1462 C SER A 92 6.190 -10.590 -2.837 1.00 0.00 C ATOM 1463 O SER A 92 6.971 -10.170 -1.983 1.00 0.00 O ATOM 1464 CB SER A 92 6.864 -10.884 -5.234 1.00 0.00 C ATOM 1465 OG SER A 92 7.350 -10.108 -6.321 1.00 0.00 O ATOM 0 H SER A 92 7.761 -8.632 -4.517 1.00 0.00 H new ATOM 0 HA SER A 92 5.123 -9.845 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.688 -11.407 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.172 -11.645 -5.596 1.00 0.00 H new ATOM 0 HG SER A 92 7.803 -10.693 -6.964 1.00 0.00 H new ATOM 1471 N MET A 93 5.337 -11.588 -2.601 1.00 0.00 N ATOM 1472 CA MET A 93 5.288 -12.241 -1.295 1.00 0.00 C ATOM 1473 C MET A 93 6.244 -13.443 -1.246 1.00 0.00 C ATOM 1474 O MET A 93 6.323 -14.208 -2.207 1.00 0.00 O ATOM 1475 CB MET A 93 3.866 -12.728 -1.021 1.00 0.00 C ATOM 1476 CG MET A 93 2.911 -11.530 -0.974 1.00 0.00 C ATOM 1477 SD MET A 93 3.309 -10.484 0.452 1.00 0.00 S ATOM 1478 CE MET A 93 2.846 -11.653 1.753 1.00 0.00 C ATOM 0 H MET A 93 4.679 -11.957 -3.288 1.00 0.00 H new ATOM 0 HA MET A 93 5.592 -11.517 -0.539 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.553 -13.425 -1.799 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.832 -13.270 -0.076 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.992 -10.952 -1.895 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.880 -11.877 -0.906 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.639 -11.109 2.674 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.955 -12.203 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.664 -12.353 1.921 1.00 0.00 H new ATOM 1488 N PRO A 94 6.954 -13.644 -0.153 1.00 0.00 N ATOM 1489 CA PRO A 94 7.889 -14.802 -0.007 1.00 0.00 C ATOM 1490 C PRO A 94 7.122 -16.101 0.239 1.00 0.00 C ATOM 1491 O PRO A 94 5.952 -16.065 0.612 1.00 0.00 O ATOM 1492 CB PRO A 94 8.733 -14.417 1.217 1.00 0.00 C ATOM 1493 CG PRO A 94 7.823 -13.577 2.050 1.00 0.00 C ATOM 1494 CD PRO A 94 6.948 -12.802 1.063 1.00 0.00 C ATOM 0 HA PRO A 94 8.488 -14.984 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.068 -15.300 1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.626 -13.865 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.214 -14.196 2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.391 -12.898 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.938 -12.663 1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.353 -11.810 0.864 1.00 0.00 H new ATOM 1502 N PRO A 95 7.749 -17.232 0.054 1.00 0.00 N ATOM 1503 CA PRO A 95 7.090 -18.552 0.289 1.00 0.00 C ATOM 1504 C PRO A 95 6.719 -18.726 1.763 1.00 0.00 C ATOM 1505 O PRO A 95 7.361 -18.147 2.640 1.00 0.00 O ATOM 1506 CB PRO A 95 8.149 -19.576 -0.159 1.00 0.00 C ATOM 1507 CG PRO A 95 9.452 -18.848 -0.057 1.00 0.00 C ATOM 1508 CD PRO A 95 9.142 -17.392 -0.397 1.00 0.00 C ATOM 0 HA PRO A 95 6.153 -18.663 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.139 -20.460 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.964 -19.916 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.871 -18.935 0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.187 -19.263 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.814 -16.706 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.245 -17.197 -1.464 1.00 0.00 H new ATOM 1516 N LYS A 96 5.677 -19.514 2.027 1.00 0.00 N ATOM 1517 CA LYS A 96 5.224 -19.741 3.401 1.00 0.00 C ATOM 1518 C LYS A 96 6.429 -19.886 4.346 1.00 0.00 C ATOM 1519 O LYS A 96 7.353 -20.641 4.048 1.00 0.00 O ATOM 1520 CB LYS A 96 4.367 -21.017 3.456 1.00 0.00 C ATOM 1521 CG LYS A 96 3.818 -21.262 4.882 1.00 0.00 C ATOM 1522 CD LYS A 96 2.527 -20.446 5.112 1.00 0.00 C ATOM 1523 CE LYS A 96 1.308 -21.224 4.598 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.896 -22.231 5.617 1.00 0.00 N ATOM 0 H LYS A 96 5.134 -20.003 1.315 1.00 0.00 H new ATOM 0 HA LYS A 96 4.629 -18.886 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.538 -20.932 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.964 -21.873 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.614 -22.324 5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.569 -20.981 5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.409 -20.231 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.598 -19.487 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.485 -20.539 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.550 -21.720 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.318 -22.967 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.742 -22.666 6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.340 -21.764 6.362 1.00 0.00 H new ATOM 1538 N PRO A 97 6.450 -19.195 5.471 1.00 0.00 N ATOM 1539 CA PRO A 97 7.590 -19.298 6.428 1.00 0.00 C ATOM 1540 C PRO A 97 7.664 -20.672 7.098 1.00 0.00 C ATOM 1541 O PRO A 97 6.639 -21.284 7.399 1.00 0.00 O ATOM 1542 CB PRO A 97 7.314 -18.186 7.453 1.00 0.00 C ATOM 1543 CG PRO A 97 5.838 -17.961 7.400 1.00 0.00 C ATOM 1544 CD PRO A 97 5.415 -18.255 5.961 1.00 0.00 C ATOM 0 HA PRO A 97 8.553 -19.185 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.631 -18.484 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.860 -17.276 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.319 -18.615 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.590 -16.937 7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.420 -18.699 5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.384 -17.346 5.360 1.00 0.00 H new