USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.23 F(o=-2.7,f=-1.2) USER MOD Single : A 20 THR OG1 : rot -8:sc= -3.64! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -147:sc= -0.824 (180deg=-3.56!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 137:sc= -7.19! USER MOD Single : A 44 MET CE :methyl 176:sc=-6.95e-05 (180deg=-0.0359) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.588 F(o=-2.2,f=-0.59) USER MOD Single : A 51 THR OG1 : rot 150:sc= -0.468 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 151:sc= -2.85! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.115 K(o=-0.12,f=-2!) USER MOD Single : A 79 LYS NZ :NH3+ 148:sc= -0.612 (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.707 1.924 -8.297 1.00 0.00 N ATOM 44 CA THR A 4 -10.294 2.231 -7.004 1.00 0.00 C ATOM 45 C THR A 4 -9.583 1.452 -5.896 1.00 0.00 C ATOM 46 O THR A 4 -8.665 0.680 -6.166 1.00 0.00 O ATOM 47 CB THR A 4 -11.794 1.940 -7.085 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.406 3.126 -6.587 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.233 0.853 -6.100 1.00 0.00 C ATOM 0 HA THR A 4 -10.165 3.283 -6.751 1.00 0.00 H new ATOM 0 HB THR A 4 -12.050 1.636 -8.100 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.380 3.024 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.305 0.685 -6.198 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.699 -0.072 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.007 1.171 -5.082 1.00 0.00 H new ATOM 57 N GLN A 5 -10.033 1.683 -4.672 1.00 0.00 N ATOM 58 CA GLN A 5 -9.451 1.013 -3.521 1.00 0.00 C ATOM 59 C GLN A 5 -9.332 -0.489 -3.786 1.00 0.00 C ATOM 60 O GLN A 5 -8.229 -1.011 -3.944 1.00 0.00 O ATOM 61 CB GLN A 5 -10.269 1.284 -2.257 1.00 0.00 C ATOM 62 CG GLN A 5 -9.595 0.671 -1.026 1.00 0.00 C ATOM 63 CD GLN A 5 -8.519 1.604 -0.468 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.376 1.580 -1.148 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.714 2.300 0.515 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.794 2.325 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.451 1.414 -3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.383 2.359 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.271 0.870 -2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.343 0.473 -0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.148 -0.287 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.616 2.270 0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.975 2.912 0.861 1.00 0.00 H new ATOM 72 N GLU A 6 -10.484 -1.143 -3.827 1.00 0.00 N ATOM 73 CA GLU A 6 -10.523 -2.575 -4.071 1.00 0.00 C ATOM 74 C GLU A 6 -9.654 -2.933 -5.277 1.00 0.00 C ATOM 75 O GLU A 6 -9.225 -4.077 -5.422 1.00 0.00 O ATOM 76 CB GLU A 6 -11.961 -3.058 -4.269 1.00 0.00 C ATOM 77 CG GLU A 6 -12.439 -3.869 -3.062 1.00 0.00 C ATOM 78 CD GLU A 6 -13.912 -3.588 -2.761 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.221 -2.754 -1.897 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.752 -4.271 -3.464 1.00 0.00 O ATOM 0 H GLU A 6 -11.397 -0.708 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.120 -3.084 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.618 -2.202 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.022 -3.669 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.300 -4.933 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.833 -3.622 -2.190 1.00 0.00 H new ATOM 86 N GLU A 7 -9.417 -1.932 -6.113 1.00 0.00 N ATOM 87 CA GLU A 7 -8.605 -2.127 -7.303 1.00 0.00 C ATOM 88 C GLU A 7 -7.127 -2.233 -6.925 1.00 0.00 C ATOM 89 O GLU A 7 -6.425 -3.128 -7.393 1.00 0.00 O ATOM 90 CB GLU A 7 -8.835 -1.001 -8.312 1.00 0.00 C ATOM 91 CG GLU A 7 -9.293 -1.559 -9.661 1.00 0.00 C ATOM 92 CD GLU A 7 -8.470 -2.787 -10.055 1.00 0.00 C ATOM 93 OE1 GLU A 7 -7.231 -2.731 -10.052 1.00 0.00 O ATOM 94 OE2 GLU A 7 -9.163 -3.828 -10.371 1.00 0.00 O ATOM 0 H GLU A 7 -9.773 -0.984 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.905 -3.062 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.585 -0.310 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.915 -0.432 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.349 -1.826 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.196 -0.791 -10.428 1.00 0.00 H new ATOM 100 N ILE A 8 -6.697 -1.306 -6.081 1.00 0.00 N ATOM 101 CA ILE A 8 -5.314 -1.284 -5.635 1.00 0.00 C ATOM 102 C ILE A 8 -5.168 -2.167 -4.393 1.00 0.00 C ATOM 103 O ILE A 8 -4.065 -2.346 -3.881 1.00 0.00 O ATOM 104 CB ILE A 8 -4.842 0.156 -5.425 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.396 1.079 -6.511 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.315 0.225 -5.339 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.192 2.549 -6.139 1.00 0.00 C ATOM 0 H ILE A 8 -7.282 -0.565 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.660 -1.701 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.235 0.509 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.901 0.868 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.458 0.881 -6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.005 1.259 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.970 -0.382 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.881 -0.154 -6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.595 3.183 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.708 2.762 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.127 2.750 -6.020 1.00 0.00 H new ATOM 118 N ILE A 9 -6.299 -2.693 -3.945 1.00 0.00 N ATOM 119 CA ILE A 9 -6.312 -3.552 -2.774 1.00 0.00 C ATOM 120 C ILE A 9 -6.495 -5.006 -3.214 1.00 0.00 C ATOM 121 O ILE A 9 -5.840 -5.904 -2.688 1.00 0.00 O ATOM 122 CB ILE A 9 -7.365 -3.075 -1.772 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.032 -1.676 -1.250 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.537 -4.085 -0.635 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.624 -1.455 0.143 1.00 0.00 C ATOM 0 H ILE A 9 -7.213 -2.540 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.358 -3.496 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.322 -3.006 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.950 -1.545 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.421 -0.925 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.291 -3.722 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.854 -5.044 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.589 -4.210 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.372 -0.453 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.708 -1.562 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.214 -2.192 0.834 1.00 0.00 H new ATOM 136 N ALA A 10 -7.388 -5.191 -4.174 1.00 0.00 N ATOM 137 CA ALA A 10 -7.666 -6.520 -4.691 1.00 0.00 C ATOM 138 C ALA A 10 -6.777 -6.786 -5.908 1.00 0.00 C ATOM 139 O ALA A 10 -6.323 -7.909 -6.117 1.00 0.00 O ATOM 140 CB ALA A 10 -9.155 -6.639 -5.020 1.00 0.00 C ATOM 0 H ALA A 10 -7.929 -4.443 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.436 -7.278 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.363 -7.636 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.742 -6.471 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.423 -5.895 -5.770 1.00 0.00 H new ATOM 146 N GLY A 11 -6.556 -5.732 -6.680 1.00 0.00 N ATOM 147 CA GLY A 11 -5.730 -5.837 -7.871 1.00 0.00 C ATOM 148 C GLY A 11 -4.262 -6.063 -7.502 1.00 0.00 C ATOM 149 O GLY A 11 -3.584 -6.885 -8.115 1.00 0.00 O ATOM 0 H GLY A 11 -6.934 -4.801 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.084 -6.660 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.824 -4.927 -8.464 1.00 0.00 H new ATOM 153 N ILE A 12 -3.815 -5.318 -6.502 1.00 0.00 N ATOM 154 CA ILE A 12 -2.441 -5.427 -6.043 1.00 0.00 C ATOM 155 C ILE A 12 -2.279 -6.712 -5.230 1.00 0.00 C ATOM 156 O ILE A 12 -1.400 -7.524 -5.515 1.00 0.00 O ATOM 157 CB ILE A 12 -2.027 -4.164 -5.285 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.967 -2.956 -6.224 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.707 -4.378 -4.542 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.685 -2.152 -6.001 1.00 0.00 C ATOM 0 H ILE A 12 -4.380 -4.636 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.761 -5.499 -6.892 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.788 -3.951 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.014 -3.293 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.835 -2.318 -6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.436 -3.465 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.820 -5.193 -3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.077 -4.629 -5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.667 -1.300 -6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.653 -1.796 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.180 -2.787 -6.192 1.00 0.00 H new ATOM 171 N ALA A 13 -3.141 -6.858 -4.235 1.00 0.00 N ATOM 172 CA ALA A 13 -3.105 -8.031 -3.378 1.00 0.00 C ATOM 173 C ALA A 13 -2.885 -9.278 -4.238 1.00 0.00 C ATOM 174 O ALA A 13 -2.060 -10.127 -3.906 1.00 0.00 O ATOM 175 CB ALA A 13 -4.395 -8.106 -2.560 1.00 0.00 C ATOM 0 H ALA A 13 -3.869 -6.183 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.276 -7.966 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.368 -8.986 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.489 -7.211 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.249 -8.175 -3.233 1.00 0.00 H new ATOM 181 N GLU A 14 -3.639 -9.347 -5.325 1.00 0.00 N ATOM 182 CA GLU A 14 -3.537 -10.477 -6.234 1.00 0.00 C ATOM 183 C GLU A 14 -2.110 -10.597 -6.773 1.00 0.00 C ATOM 184 O GLU A 14 -1.552 -11.693 -6.821 1.00 0.00 O ATOM 185 CB GLU A 14 -4.545 -10.350 -7.378 1.00 0.00 C ATOM 186 CG GLU A 14 -5.952 -10.733 -6.914 1.00 0.00 C ATOM 187 CD GLU A 14 -6.330 -12.132 -7.402 1.00 0.00 C ATOM 188 OE1 GLU A 14 -5.741 -12.630 -8.373 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.273 -12.707 -6.735 1.00 0.00 O ATOM 0 H GLU A 14 -4.322 -8.640 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.774 -11.386 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.548 -9.327 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.244 -10.992 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.002 -10.698 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.673 -10.006 -7.289 1.00 0.00 H new ATOM 195 N ILE A 15 -1.559 -9.457 -7.164 1.00 0.00 N ATOM 196 CA ILE A 15 -0.209 -9.422 -7.696 1.00 0.00 C ATOM 197 C ILE A 15 0.780 -9.802 -6.591 1.00 0.00 C ATOM 198 O ILE A 15 1.721 -10.559 -6.829 1.00 0.00 O ATOM 199 CB ILE A 15 0.079 -8.063 -8.338 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.823 -7.827 -9.551 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.562 -7.927 -8.691 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.357 -6.612 -10.353 1.00 0.00 C ATOM 0 H ILE A 15 -2.024 -8.550 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.095 -10.156 -8.494 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.152 -7.285 -7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.819 -8.711 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.851 -7.676 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.740 -6.952 -9.146 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.162 -8.020 -7.785 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.842 -8.712 -9.394 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.015 -6.467 -11.209 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.385 -5.725 -9.720 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.662 -6.776 -10.703 1.00 0.00 H new ATOM 213 N ILE A 16 0.534 -9.259 -5.408 1.00 0.00 N ATOM 214 CA ILE A 16 1.391 -9.532 -4.267 1.00 0.00 C ATOM 215 C ILE A 16 1.515 -11.046 -4.078 1.00 0.00 C ATOM 216 O ILE A 16 2.565 -11.540 -3.671 1.00 0.00 O ATOM 217 CB ILE A 16 0.881 -8.797 -3.026 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.894 -7.281 -3.243 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.674 -9.204 -1.782 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.846 -6.536 -1.908 1.00 0.00 C ATOM 0 H ILE A 16 -0.246 -8.631 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 16 2.396 -9.149 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.155 -9.090 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.792 -6.996 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.041 -6.990 -3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.291 -8.667 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.570 -10.277 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.726 -8.959 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.856 -5.461 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.065 -6.805 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.713 -6.810 -1.307 1.00 0.00 H new ATOM 231 N GLU A 17 0.428 -11.738 -4.383 1.00 0.00 N ATOM 232 CA GLU A 17 0.400 -13.185 -4.252 1.00 0.00 C ATOM 233 C GLU A 17 1.227 -13.834 -5.363 1.00 0.00 C ATOM 234 O GLU A 17 1.330 -15.058 -5.432 1.00 0.00 O ATOM 235 CB GLU A 17 -1.036 -13.709 -4.259 1.00 0.00 C ATOM 236 CG GLU A 17 -1.080 -15.194 -3.890 1.00 0.00 C ATOM 237 CD GLU A 17 -1.875 -15.993 -4.924 1.00 0.00 C ATOM 238 OE1 GLU A 17 -1.327 -16.368 -5.971 1.00 0.00 O ATOM 239 OE2 GLU A 17 -3.104 -16.222 -4.609 1.00 0.00 O ATOM 0 H GLU A 17 -0.441 -11.324 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 17 0.843 -13.452 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.639 -13.137 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.476 -13.563 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.065 -15.586 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.533 -15.314 -2.906 1.00 0.00 H new ATOM 245 N GLU A 18 1.794 -12.986 -6.208 1.00 0.00 N ATOM 246 CA GLU A 18 2.609 -13.461 -7.313 1.00 0.00 C ATOM 247 C GLU A 18 4.092 -13.225 -7.022 1.00 0.00 C ATOM 248 O GLU A 18 4.919 -14.108 -7.241 1.00 0.00 O ATOM 249 CB GLU A 18 2.195 -12.793 -8.626 1.00 0.00 C ATOM 250 CG GLU A 18 0.707 -13.013 -8.908 1.00 0.00 C ATOM 251 CD GLU A 18 0.506 -13.835 -10.183 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.241 -15.044 -10.106 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.634 -13.175 -11.284 1.00 0.00 O ATOM 0 H GLU A 18 1.705 -11.972 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 18 2.448 -14.534 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.405 -11.725 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.788 -13.197 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.245 -13.526 -8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.206 -12.050 -9.009 1.00 0.00 H new ATOM 259 N VAL A 19 4.381 -12.028 -6.532 1.00 0.00 N ATOM 260 CA VAL A 19 5.750 -11.665 -6.208 1.00 0.00 C ATOM 261 C VAL A 19 6.097 -12.189 -4.812 1.00 0.00 C ATOM 262 O VAL A 19 6.923 -13.089 -4.672 1.00 0.00 O ATOM 263 CB VAL A 19 5.935 -10.151 -6.340 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.415 -9.789 -6.468 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.131 -9.602 -7.520 1.00 0.00 C ATOM 0 H VAL A 19 3.691 -11.298 -6.352 1.00 0.00 H new ATOM 0 HA VAL A 19 6.443 -12.128 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 19 5.555 -9.686 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.518 -8.708 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.951 -10.130 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.832 -10.270 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.280 -8.525 -7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.467 -10.077 -8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.072 -9.813 -7.368 1.00 0.00 H new ATOM 275 N THR A 20 5.446 -11.605 -3.818 1.00 0.00 N ATOM 276 CA THR A 20 5.674 -12.003 -2.438 1.00 0.00 C ATOM 277 C THR A 20 5.010 -13.352 -2.155 1.00 0.00 C ATOM 278 O THR A 20 5.405 -14.060 -1.230 1.00 0.00 O ATOM 279 CB THR A 20 5.173 -10.876 -1.532 1.00 0.00 C ATOM 280 OG1 THR A 20 3.794 -10.751 -1.865 1.00 0.00 O ATOM 281 CG2 THR A 20 5.771 -9.517 -1.903 1.00 0.00 C ATOM 0 H THR A 20 4.761 -10.859 -3.939 1.00 0.00 H new ATOM 0 HA THR A 20 6.735 -12.151 -2.239 1.00 0.00 H new ATOM 0 HB THR A 20 5.416 -11.108 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.595 -11.304 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.383 -8.753 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.857 -9.561 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.500 -9.268 -2.929 1.00 0.00 H new ATOM 289 N GLY A 21 4.012 -13.666 -2.969 1.00 0.00 N ATOM 290 CA GLY A 21 3.290 -14.917 -2.817 1.00 0.00 C ATOM 291 C GLY A 21 2.385 -14.882 -1.584 1.00 0.00 C ATOM 292 O GLY A 21 2.033 -15.926 -1.037 1.00 0.00 O ATOM 0 H GLY A 21 3.687 -13.076 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.690 -15.105 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.998 -15.741 -2.730 1.00 0.00 H new ATOM 296 N ILE A 22 2.033 -13.669 -1.182 1.00 0.00 N ATOM 297 CA ILE A 22 1.175 -13.484 -0.024 1.00 0.00 C ATOM 298 C ILE A 22 -0.286 -13.648 -0.445 1.00 0.00 C ATOM 299 O ILE A 22 -0.603 -13.598 -1.632 1.00 0.00 O ATOM 300 CB ILE A 22 1.473 -12.146 0.655 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.955 -12.034 1.020 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.566 -11.932 1.868 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.338 -10.582 1.317 1.00 0.00 C ATOM 0 H ILE A 22 2.327 -12.805 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 22 1.378 -14.248 0.726 1.00 0.00 H new ATOM 0 HB ILE A 22 1.255 -11.348 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.167 -12.655 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.565 -12.415 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.799 -10.974 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.476 -11.937 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.728 -12.733 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.396 -10.530 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.148 -9.968 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.743 -10.212 2.153 1.00 0.00 H new ATOM 314 N GLU A 23 -1.137 -13.842 0.552 1.00 0.00 N ATOM 315 CA GLU A 23 -2.558 -14.013 0.299 1.00 0.00 C ATOM 316 C GLU A 23 -3.167 -12.709 -0.217 1.00 0.00 C ATOM 317 O GLU A 23 -2.653 -11.627 0.061 1.00 0.00 O ATOM 318 CB GLU A 23 -3.283 -14.498 1.556 1.00 0.00 C ATOM 319 CG GLU A 23 -3.761 -15.942 1.393 1.00 0.00 C ATOM 320 CD GLU A 23 -3.584 -16.729 2.693 1.00 0.00 C ATOM 321 OE1 GLU A 23 -2.449 -17.054 3.072 1.00 0.00 O ATOM 322 OE2 GLU A 23 -4.679 -17.002 3.317 1.00 0.00 O ATOM 0 H GLU A 23 -0.870 -13.885 1.536 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.681 -14.776 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.615 -14.427 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.135 -13.850 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.811 -15.950 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.202 -16.426 0.592 1.00 0.00 H new ATOM 328 N PRO A 24 -4.283 -12.858 -0.980 1.00 0.00 N ATOM 329 CA PRO A 24 -4.968 -11.704 -1.537 1.00 0.00 C ATOM 330 C PRO A 24 -5.762 -10.964 -0.460 1.00 0.00 C ATOM 331 O PRO A 24 -5.653 -9.745 -0.331 1.00 0.00 O ATOM 332 CB PRO A 24 -5.848 -12.265 -2.642 1.00 0.00 C ATOM 333 CG PRO A 24 -5.977 -13.753 -2.358 1.00 0.00 C ATOM 334 CD PRO A 24 -4.921 -14.124 -1.330 1.00 0.00 C ATOM 0 HA PRO A 24 -4.279 -10.958 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.825 -11.782 -2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.403 -12.092 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.974 -13.985 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.839 -14.330 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.368 -14.597 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.200 -14.831 -1.741 1.00 0.00 H new ATOM 339 N SER A 25 -6.541 -11.730 0.288 1.00 0.00 N ATOM 340 CA SER A 25 -7.354 -11.162 1.351 1.00 0.00 C ATOM 341 C SER A 25 -6.456 -10.656 2.481 1.00 0.00 C ATOM 342 O SER A 25 -6.854 -9.785 3.252 1.00 0.00 O ATOM 343 CB SER A 25 -8.356 -12.186 1.886 1.00 0.00 C ATOM 344 OG SER A 25 -9.683 -11.668 1.919 1.00 0.00 O ATOM 0 H SER A 25 -6.627 -12.741 0.180 1.00 0.00 H new ATOM 0 HA SER A 25 -7.918 -10.324 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.331 -13.079 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.061 -12.491 2.890 1.00 0.00 H new ATOM 0 HG SER A 25 -10.293 -12.353 2.265 1.00 0.00 H new ATOM 349 N GLU A 26 -5.261 -11.225 2.544 1.00 0.00 N ATOM 350 CA GLU A 26 -4.303 -10.844 3.568 1.00 0.00 C ATOM 351 C GLU A 26 -3.942 -9.363 3.431 1.00 0.00 C ATOM 352 O GLU A 26 -3.849 -8.649 4.428 1.00 0.00 O ATOM 353 CB GLU A 26 -3.051 -11.721 3.503 1.00 0.00 C ATOM 354 CG GLU A 26 -2.347 -11.773 4.860 1.00 0.00 C ATOM 355 CD GLU A 26 -1.246 -12.836 4.866 1.00 0.00 C ATOM 356 OE1 GLU A 26 -1.361 -13.852 4.165 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.242 -12.578 5.634 1.00 0.00 O ATOM 0 H GLU A 26 -4.934 -11.947 1.902 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.764 -10.998 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.325 -12.729 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.367 -11.330 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.917 -10.798 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.073 -11.992 5.642 1.00 0.00 H new ATOM 363 N ILE A 27 -3.747 -8.947 2.188 1.00 0.00 N ATOM 364 CA ILE A 27 -3.398 -7.564 1.909 1.00 0.00 C ATOM 365 C ILE A 27 -4.562 -6.657 2.314 1.00 0.00 C ATOM 366 O ILE A 27 -5.721 -6.975 2.054 1.00 0.00 O ATOM 367 CB ILE A 27 -2.974 -7.404 0.447 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.526 -7.857 0.244 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.199 -5.969 -0.035 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.183 -9.028 1.166 1.00 0.00 C ATOM 0 H ILE A 27 -3.824 -9.543 1.364 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.536 -7.261 2.503 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.603 -8.051 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.376 -8.151 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.850 -7.025 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.890 -5.882 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.256 -5.718 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.612 -5.284 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.149 -9.330 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.311 -8.723 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.845 -9.867 0.950 1.00 0.00 H new ATOM 381 N THR A 28 -4.212 -5.545 2.942 1.00 0.00 N ATOM 382 CA THR A 28 -5.212 -4.589 3.387 1.00 0.00 C ATOM 383 C THR A 28 -4.652 -3.166 3.331 1.00 0.00 C ATOM 384 O THR A 28 -3.442 -2.975 3.227 1.00 0.00 O ATOM 385 CB THR A 28 -5.676 -5.006 4.784 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.496 -5.502 5.409 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.618 -6.211 4.753 1.00 0.00 C ATOM 0 H THR A 28 -3.249 -5.284 3.154 1.00 0.00 H new ATOM 0 HA THR A 28 -6.080 -4.588 2.728 1.00 0.00 H new ATOM 0 HB THR A 28 -6.178 -4.166 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.706 -5.793 6.321 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.917 -6.465 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.503 -5.966 4.165 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.106 -7.061 4.302 1.00 0.00 H new ATOM 395 N PRO A 29 -5.585 -2.179 3.404 1.00 0.00 N ATOM 396 CA PRO A 29 -5.198 -0.779 3.364 1.00 0.00 C ATOM 397 C PRO A 29 -4.580 -0.342 4.693 1.00 0.00 C ATOM 398 O PRO A 29 -4.882 0.739 5.197 1.00 0.00 O ATOM 399 CB PRO A 29 -6.474 -0.027 3.026 1.00 0.00 C ATOM 400 CG PRO A 29 -7.616 -0.978 3.349 1.00 0.00 C ATOM 401 CD PRO A 29 -7.028 -2.368 3.528 1.00 0.00 C ATOM 0 HA PRO A 29 -4.425 -0.578 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.553 0.890 3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.491 0.261 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.131 -0.662 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.353 -0.976 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.290 -2.787 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.404 -3.057 2.772 1.00 0.00 H new ATOM 406 N GLU A 30 -3.725 -1.205 5.224 1.00 0.00 N ATOM 407 CA GLU A 30 -3.063 -0.921 6.485 1.00 0.00 C ATOM 408 C GLU A 30 -1.604 -1.382 6.434 1.00 0.00 C ATOM 409 O GLU A 30 -0.913 -1.379 7.451 1.00 0.00 O ATOM 410 CB GLU A 30 -3.803 -1.575 7.653 1.00 0.00 C ATOM 411 CG GLU A 30 -4.167 -3.025 7.329 1.00 0.00 C ATOM 412 CD GLU A 30 -4.570 -3.787 8.594 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.734 -3.717 9.014 1.00 0.00 O ATOM 414 OE2 GLU A 30 -3.625 -4.470 9.143 1.00 0.00 O ATOM 0 H GLU A 30 -3.476 -2.100 4.803 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.079 0.157 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.179 -1.544 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.708 -1.010 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.987 -3.046 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.318 -3.520 6.857 1.00 0.00 H new ATOM 420 N LYS A 31 -1.181 -1.766 5.238 1.00 0.00 N ATOM 421 CA LYS A 31 0.183 -2.229 5.042 1.00 0.00 C ATOM 422 C LYS A 31 1.146 -1.053 5.215 1.00 0.00 C ATOM 423 O LYS A 31 0.729 0.105 5.198 1.00 0.00 O ATOM 424 CB LYS A 31 0.318 -2.939 3.694 1.00 0.00 C ATOM 425 CG LYS A 31 -0.648 -4.123 3.598 1.00 0.00 C ATOM 426 CD LYS A 31 0.095 -5.408 3.230 1.00 0.00 C ATOM 427 CE LYS A 31 -0.290 -6.552 4.170 1.00 0.00 C ATOM 428 NZ LYS A 31 0.349 -7.816 3.739 1.00 0.00 N ATOM 0 H LYS A 31 -1.757 -1.766 4.397 1.00 0.00 H new ATOM 0 HA LYS A 31 0.446 -2.971 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.117 -2.235 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.342 -3.289 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.162 -4.256 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.412 -3.914 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.136 -5.684 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.170 -5.238 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.016 -6.312 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.373 -6.671 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.278 -8.615 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.522 -7.786 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.253 -7.936 4.239 1.00 0.00 H new ATOM 437 N SER A 32 2.417 -1.388 5.378 1.00 0.00 N ATOM 438 CA SER A 32 3.443 -0.375 5.555 1.00 0.00 C ATOM 439 C SER A 32 4.570 -0.590 4.543 1.00 0.00 C ATOM 440 O SER A 32 5.637 0.011 4.661 1.00 0.00 O ATOM 441 CB SER A 32 3.998 -0.396 6.981 1.00 0.00 C ATOM 442 OG SER A 32 4.192 0.918 7.497 1.00 0.00 O ATOM 0 H SER A 32 2.760 -2.348 5.391 1.00 0.00 H new ATOM 0 HA SER A 32 2.992 0.603 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.313 -0.943 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.946 -0.934 6.993 1.00 0.00 H new ATOM 0 HG SER A 32 4.546 0.862 8.409 1.00 0.00 H new ATOM 447 N PHE A 33 4.294 -1.447 3.572 1.00 0.00 N ATOM 448 CA PHE A 33 5.273 -1.747 2.539 1.00 0.00 C ATOM 449 C PHE A 33 6.317 -2.744 3.047 1.00 0.00 C ATOM 450 O PHE A 33 6.844 -3.544 2.275 1.00 0.00 O ATOM 451 CB PHE A 33 5.969 -0.432 2.186 1.00 0.00 C ATOM 452 CG PHE A 33 6.236 -0.251 0.690 1.00 0.00 C ATOM 453 CD1 PHE A 33 7.401 -0.698 0.148 1.00 0.00 C ATOM 454 CD2 PHE A 33 5.308 0.355 -0.098 1.00 0.00 C ATOM 455 CE1 PHE A 33 7.650 -0.531 -1.240 1.00 0.00 C ATOM 456 CE2 PHE A 33 5.557 0.523 -1.486 1.00 0.00 C ATOM 457 CZ PHE A 33 6.722 0.076 -2.027 1.00 0.00 C ATOM 0 H PHE A 33 3.408 -1.943 3.478 1.00 0.00 H new ATOM 0 HA PHE A 33 4.778 -2.189 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.356 0.398 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.916 -0.379 2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.137 -1.180 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.382 0.708 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.575 -0.886 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.821 1.006 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.910 0.203 -3.083 1.00 0.00 H new ATOM 466 N VAL A 34 6.585 -2.662 4.342 1.00 0.00 N ATOM 467 CA VAL A 34 7.557 -3.546 4.962 1.00 0.00 C ATOM 468 C VAL A 34 7.041 -3.981 6.335 1.00 0.00 C ATOM 469 O VAL A 34 6.895 -5.175 6.597 1.00 0.00 O ATOM 470 CB VAL A 34 8.923 -2.859 5.027 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.525 -2.968 6.430 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.875 -3.432 3.976 1.00 0.00 C ATOM 0 H VAL A 34 6.146 -1.997 4.979 1.00 0.00 H new ATOM 0 HA VAL A 34 7.690 -4.447 4.364 1.00 0.00 H new ATOM 0 HB VAL A 34 8.777 -1.802 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.495 -2.472 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.859 -2.491 7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.650 -4.019 6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.838 -2.927 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.012 -4.499 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.454 -3.279 2.982 1.00 0.00 H new ATOM 482 N ASP A 35 6.779 -2.991 7.174 1.00 0.00 N ATOM 483 CA ASP A 35 6.282 -3.256 8.514 1.00 0.00 C ATOM 484 C ASP A 35 5.288 -4.418 8.463 1.00 0.00 C ATOM 485 O ASP A 35 5.167 -5.179 9.422 1.00 0.00 O ATOM 486 CB ASP A 35 5.556 -2.038 9.084 1.00 0.00 C ATOM 487 CG ASP A 35 5.567 -1.933 10.610 1.00 0.00 C ATOM 488 OD1 ASP A 35 4.740 -1.229 11.209 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.486 -2.623 11.198 1.00 0.00 O ATOM 0 H ASP A 35 6.901 -2.003 6.952 1.00 0.00 H new ATOM 0 HA ASP A 35 7.135 -3.496 9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.009 -1.137 8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.521 -2.059 8.744 1.00 0.00 H new ATOM 494 N ASP A 36 4.600 -4.518 7.335 1.00 0.00 N ATOM 495 CA ASP A 36 3.620 -5.574 7.147 1.00 0.00 C ATOM 496 C ASP A 36 4.174 -6.609 6.166 1.00 0.00 C ATOM 497 O ASP A 36 4.438 -7.749 6.544 1.00 0.00 O ATOM 498 CB ASP A 36 2.318 -5.020 6.564 1.00 0.00 C ATOM 499 CG ASP A 36 1.075 -5.251 7.424 1.00 0.00 C ATOM 500 OD1 ASP A 36 1.167 -5.733 8.563 1.00 0.00 O ATOM 501 OD2 ASP A 36 -0.040 -4.908 6.874 1.00 0.00 O ATOM 0 H ASP A 36 4.702 -3.885 6.542 1.00 0.00 H new ATOM 0 HA ASP A 36 3.418 -6.023 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.436 -3.948 6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.154 -5.472 5.586 1.00 0.00 H new ATOM 506 N LEU A 37 4.333 -6.175 4.923 1.00 0.00 N ATOM 507 CA LEU A 37 4.851 -7.050 3.886 1.00 0.00 C ATOM 508 C LEU A 37 6.035 -7.845 4.439 1.00 0.00 C ATOM 509 O LEU A 37 6.050 -9.074 4.367 1.00 0.00 O ATOM 510 CB LEU A 37 5.184 -6.248 2.627 1.00 0.00 C ATOM 511 CG LEU A 37 3.989 -5.687 1.852 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.451 -4.888 0.633 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.011 -6.801 1.472 1.00 0.00 C ATOM 0 H LEU A 37 4.112 -5.229 4.612 1.00 0.00 H new ATOM 0 HA LEU A 37 4.094 -7.774 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.830 -5.417 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.760 -6.886 1.956 1.00 0.00 H new ATOM 0 HG LEU A 37 3.453 -4.996 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.582 -4.501 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.077 -4.057 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.024 -5.536 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.171 -6.376 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.520 -7.534 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.644 -7.287 2.376 1.00 0.00 H new ATOM 524 N ASP A 38 6.999 -7.114 4.978 1.00 0.00 N ATOM 525 CA ASP A 38 8.183 -7.736 5.544 1.00 0.00 C ATOM 526 C ASP A 38 8.980 -8.414 4.428 1.00 0.00 C ATOM 527 O ASP A 38 9.844 -9.247 4.694 1.00 0.00 O ATOM 528 CB ASP A 38 7.808 -8.804 6.573 1.00 0.00 C ATOM 529 CG ASP A 38 8.691 -8.838 7.821 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.525 -9.740 7.989 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.493 -7.874 8.656 1.00 0.00 O ATOM 0 H ASP A 38 6.984 -6.096 5.035 1.00 0.00 H new ATOM 0 HA ASP A 38 8.771 -6.958 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.775 -8.643 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.848 -9.781 6.091 1.00 0.00 H new ATOM 536 N ILE A 39 8.660 -8.032 3.200 1.00 0.00 N ATOM 537 CA ILE A 39 9.335 -8.593 2.041 1.00 0.00 C ATOM 538 C ILE A 39 10.409 -7.615 1.559 1.00 0.00 C ATOM 539 O ILE A 39 11.277 -7.982 0.768 1.00 0.00 O ATOM 540 CB ILE A 39 8.320 -8.973 0.962 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.781 -10.207 0.184 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.034 -7.787 0.036 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.150 -9.971 -0.457 1.00 0.00 C ATOM 0 H ILE A 39 7.942 -7.341 2.982 1.00 0.00 H new ATOM 0 HA ILE A 39 9.844 -9.520 2.307 1.00 0.00 H new ATOM 0 HB ILE A 39 7.382 -9.233 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.832 -11.065 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.051 -10.448 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.309 -8.084 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.631 -6.959 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.958 -7.473 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.454 -10.863 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.089 -9.127 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.883 -9.754 0.320 1.00 0.00 H new ATOM 554 N ASP A 40 10.315 -6.390 2.055 1.00 0.00 N ATOM 555 CA ASP A 40 11.267 -5.358 1.685 1.00 0.00 C ATOM 556 C ASP A 40 10.789 -4.663 0.409 1.00 0.00 C ATOM 557 O ASP A 40 9.665 -4.884 -0.039 1.00 0.00 O ATOM 558 CB ASP A 40 12.649 -5.956 1.408 1.00 0.00 C ATOM 559 CG ASP A 40 13.826 -5.019 1.684 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.141 -4.713 2.843 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.439 -4.591 0.633 1.00 0.00 O ATOM 0 H ASP A 40 9.593 -6.089 2.710 1.00 0.00 H new ATOM 0 HA ASP A 40 11.338 -4.653 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.768 -6.853 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.690 -6.269 0.365 1.00 0.00 H new ATOM 566 N SER A 41 11.667 -3.835 -0.140 1.00 0.00 N ATOM 567 CA SER A 41 11.348 -3.107 -1.356 1.00 0.00 C ATOM 568 C SER A 41 11.763 -3.925 -2.581 1.00 0.00 C ATOM 569 O SER A 41 11.659 -3.452 -3.712 1.00 0.00 O ATOM 570 CB SER A 41 12.034 -1.739 -1.374 1.00 0.00 C ATOM 571 OG SER A 41 13.442 -1.846 -1.189 1.00 0.00 O ATOM 0 H SER A 41 12.598 -3.653 0.235 1.00 0.00 H new ATOM 0 HA SER A 41 10.271 -2.944 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.830 -1.243 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.612 -1.111 -0.589 1.00 0.00 H new ATOM 0 HG SER A 41 13.843 -0.952 -1.208 1.00 0.00 H new ATOM 576 N LEU A 42 12.223 -5.138 -2.315 1.00 0.00 N ATOM 577 CA LEU A 42 12.654 -6.026 -3.380 1.00 0.00 C ATOM 578 C LEU A 42 11.431 -6.497 -4.171 1.00 0.00 C ATOM 579 O LEU A 42 11.246 -6.107 -5.323 1.00 0.00 O ATOM 580 CB LEU A 42 13.498 -7.170 -2.816 1.00 0.00 C ATOM 581 CG LEU A 42 14.961 -7.210 -3.266 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.867 -7.714 -2.141 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.119 -8.035 -4.545 1.00 0.00 C ATOM 0 H LEU A 42 12.307 -5.527 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 42 13.302 -5.496 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.475 -7.110 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.027 -8.113 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 42 15.275 -6.193 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.900 -7.733 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.784 -7.049 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.563 -8.720 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.167 -8.047 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.781 -9.055 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.521 -7.591 -5.341 1.00 0.00 H new ATOM 594 N SER A 43 10.630 -7.328 -3.522 1.00 0.00 N ATOM 595 CA SER A 43 9.431 -7.856 -4.150 1.00 0.00 C ATOM 596 C SER A 43 8.468 -6.714 -4.480 1.00 0.00 C ATOM 597 O SER A 43 7.950 -6.635 -5.593 1.00 0.00 O ATOM 598 CB SER A 43 8.745 -8.885 -3.250 1.00 0.00 C ATOM 599 OG SER A 43 7.675 -9.549 -3.918 1.00 0.00 O ATOM 0 H SER A 43 10.788 -7.649 -2.567 1.00 0.00 H new ATOM 0 HA SER A 43 9.721 -8.357 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.477 -9.621 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.363 -8.389 -2.358 1.00 0.00 H new ATOM 0 HG SER A 43 7.709 -10.508 -3.717 1.00 0.00 H new ATOM 604 N MET A 44 8.255 -5.857 -3.492 1.00 0.00 N ATOM 605 CA MET A 44 7.363 -4.723 -3.663 1.00 0.00 C ATOM 606 C MET A 44 7.672 -3.972 -4.961 1.00 0.00 C ATOM 607 O MET A 44 6.774 -3.410 -5.587 1.00 0.00 O ATOM 608 CB MET A 44 7.513 -3.770 -2.475 1.00 0.00 C ATOM 609 CG MET A 44 6.462 -4.062 -1.403 1.00 0.00 C ATOM 610 SD MET A 44 5.215 -2.784 -1.407 1.00 0.00 S ATOM 611 CE MET A 44 4.338 -3.211 -2.902 1.00 0.00 C ATOM 0 H MET A 44 8.685 -5.925 -2.570 1.00 0.00 H new ATOM 0 HA MET A 44 6.340 -5.095 -3.715 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.511 -3.870 -2.048 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.414 -2.739 -2.816 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.001 -5.032 -1.589 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.936 -4.116 -0.423 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.478 -2.552 -3.020 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.002 -3.097 -3.759 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.998 -4.245 -2.842 1.00 0.00 H new ATOM 619 N VAL A 45 8.945 -3.988 -5.327 1.00 0.00 N ATOM 620 CA VAL A 45 9.384 -3.318 -6.539 1.00 0.00 C ATOM 621 C VAL A 45 8.737 -3.989 -7.752 1.00 0.00 C ATOM 622 O VAL A 45 8.461 -3.333 -8.755 1.00 0.00 O ATOM 623 CB VAL A 45 10.913 -3.306 -6.607 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.406 -3.816 -7.963 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.465 -1.910 -6.312 1.00 0.00 C ATOM 0 H VAL A 45 9.687 -4.455 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 45 9.064 -2.276 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 45 11.287 -3.983 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.496 -3.797 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.058 -4.837 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.016 -3.177 -8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.553 -1.930 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.078 -1.203 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.158 -1.601 -5.313 1.00 0.00 H new ATOM 635 N GLU A 46 8.515 -5.289 -7.620 1.00 0.00 N ATOM 636 CA GLU A 46 7.905 -6.056 -8.693 1.00 0.00 C ATOM 637 C GLU A 46 6.402 -5.776 -8.758 1.00 0.00 C ATOM 638 O GLU A 46 5.883 -5.398 -9.808 1.00 0.00 O ATOM 639 CB GLU A 46 8.176 -7.552 -8.519 1.00 0.00 C ATOM 640 CG GLU A 46 8.974 -8.105 -9.701 1.00 0.00 C ATOM 641 CD GLU A 46 10.468 -8.171 -9.371 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.840 -8.226 -8.190 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.253 -8.164 -10.395 1.00 0.00 O ATOM 0 H GLU A 46 8.747 -5.830 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 46 8.354 -5.745 -9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.726 -7.720 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.231 -8.089 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.610 -9.100 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.819 -7.474 -10.576 1.00 0.00 H new ATOM 649 N ILE A 47 5.746 -5.970 -7.625 1.00 0.00 N ATOM 650 CA ILE A 47 4.313 -5.743 -7.540 1.00 0.00 C ATOM 651 C ILE A 47 3.959 -4.464 -8.302 1.00 0.00 C ATOM 652 O ILE A 47 2.948 -4.413 -8.999 1.00 0.00 O ATOM 653 CB ILE A 47 3.857 -5.736 -6.080 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.708 -7.161 -5.545 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.571 -4.924 -5.912 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.319 -7.289 -4.148 1.00 0.00 C ATOM 0 H ILE A 47 6.180 -6.282 -6.756 1.00 0.00 H new ATOM 0 HA ILE A 47 3.768 -6.559 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 47 4.628 -5.247 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.653 -7.432 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.195 -7.861 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.268 -4.935 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.746 -3.896 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.782 -5.362 -6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.200 -8.312 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.380 -7.041 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.814 -6.605 -3.466 1.00 0.00 H new ATOM 667 N ALA A 48 4.811 -3.462 -8.141 1.00 0.00 N ATOM 668 CA ALA A 48 4.600 -2.187 -8.805 1.00 0.00 C ATOM 669 C ALA A 48 4.962 -2.322 -10.285 1.00 0.00 C ATOM 670 O ALA A 48 4.185 -1.931 -11.155 1.00 0.00 O ATOM 671 CB ALA A 48 5.420 -1.103 -8.100 1.00 0.00 C ATOM 0 H ALA A 48 5.649 -3.507 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 48 3.552 -1.892 -8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.262 -0.146 -8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.105 -1.027 -7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.478 -1.363 -8.140 1.00 0.00 H new ATOM 677 N VAL A 49 6.141 -2.876 -10.525 1.00 0.00 N ATOM 678 CA VAL A 49 6.614 -3.067 -11.886 1.00 0.00 C ATOM 679 C VAL A 49 5.501 -3.696 -12.725 1.00 0.00 C ATOM 680 O VAL A 49 5.459 -3.517 -13.942 1.00 0.00 O ATOM 681 CB VAL A 49 7.901 -3.896 -11.881 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.626 -5.337 -12.312 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.971 -3.252 -12.765 1.00 0.00 C ATOM 0 H VAL A 49 6.783 -3.199 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 49 6.862 -2.109 -12.342 1.00 0.00 H new ATOM 0 HB VAL A 49 8.281 -3.920 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.557 -5.904 -12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.914 -5.793 -11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.211 -5.342 -13.320 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.875 -3.861 -12.744 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.604 -3.183 -13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.198 -2.253 -12.393 1.00 0.00 H new ATOM 693 N GLN A 50 4.627 -4.422 -12.043 1.00 0.00 N ATOM 694 CA GLN A 50 3.517 -5.079 -12.711 1.00 0.00 C ATOM 695 C GLN A 50 2.317 -4.133 -12.802 1.00 0.00 C ATOM 696 O GLN A 50 1.852 -3.820 -13.897 1.00 0.00 O ATOM 697 CB GLN A 50 3.137 -6.377 -11.995 1.00 0.00 C ATOM 698 CG GLN A 50 4.323 -7.344 -11.949 1.00 0.00 C ATOM 699 CD GLN A 50 3.881 -8.731 -11.478 1.00 0.00 C ATOM 700 OE1 GLN A 50 4.286 -9.040 -10.250 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 3.216 -9.471 -12.183 1.00 0.00 N flip ATOM 0 H GLN A 50 4.665 -4.569 -11.034 1.00 0.00 H new ATOM 0 HA GLN A 50 3.829 -5.338 -13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.805 -6.154 -10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.299 -6.848 -12.508 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.775 -7.419 -12.938 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.088 -6.955 -11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.938 -9.171 -13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.938 -10.390 -11.838 1.00 0.00 H new ATOM 708 N THR A 51 1.852 -3.705 -11.639 1.00 0.00 N ATOM 709 CA THR A 51 0.715 -2.801 -11.573 1.00 0.00 C ATOM 710 C THR A 51 0.940 -1.597 -12.490 1.00 0.00 C ATOM 711 O THR A 51 0.011 -1.137 -13.154 1.00 0.00 O ATOM 712 CB THR A 51 0.500 -2.418 -10.108 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.437 -3.381 -9.631 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.229 -1.081 -9.955 1.00 0.00 C ATOM 0 H THR A 51 2.241 -3.967 -10.733 1.00 0.00 H new ATOM 0 HA THR A 51 -0.195 -3.281 -11.934 1.00 0.00 H new ATOM 0 HB THR A 51 1.463 -2.367 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.287 -3.538 -8.675 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.357 -0.855 -8.896 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.356 -0.291 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.207 -1.143 -10.433 1.00 0.00 H new ATOM 722 N GLU A 52 2.176 -1.121 -12.497 1.00 0.00 N ATOM 723 CA GLU A 52 2.533 0.020 -13.322 1.00 0.00 C ATOM 724 C GLU A 52 2.622 -0.393 -14.792 1.00 0.00 C ATOM 725 O GLU A 52 2.907 0.434 -15.658 1.00 0.00 O ATOM 726 CB GLU A 52 3.845 0.649 -12.849 1.00 0.00 C ATOM 727 CG GLU A 52 3.641 1.435 -11.552 1.00 0.00 C ATOM 728 CD GLU A 52 4.733 1.103 -10.533 1.00 0.00 C ATOM 729 OE1 GLU A 52 4.442 0.959 -9.336 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.922 0.995 -11.023 1.00 0.00 O ATOM 0 H GLU A 52 2.943 -1.505 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 52 1.751 0.773 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.590 -0.131 -12.692 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.234 1.311 -13.622 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.650 2.504 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.663 1.202 -11.131 1.00 0.00 H new ATOM 736 N ASP A 53 2.375 -1.673 -15.030 1.00 0.00 N ATOM 737 CA ASP A 53 2.424 -2.207 -16.381 1.00 0.00 C ATOM 738 C ASP A 53 1.046 -2.756 -16.757 1.00 0.00 C ATOM 739 O ASP A 53 0.396 -2.243 -17.667 1.00 0.00 O ATOM 740 CB ASP A 53 3.434 -3.350 -16.486 1.00 0.00 C ATOM 741 CG ASP A 53 4.407 -3.248 -17.661 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.538 -2.762 -17.515 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.955 -3.700 -18.783 1.00 0.00 O ATOM 0 H ASP A 53 2.140 -2.356 -14.310 1.00 0.00 H new ATOM 0 HA ASP A 53 2.722 -1.401 -17.052 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.009 -3.393 -15.561 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.889 -4.290 -16.566 1.00 0.00 H new ATOM 748 N LYS A 54 0.642 -3.793 -16.039 1.00 0.00 N ATOM 749 CA LYS A 54 -0.647 -4.419 -16.286 1.00 0.00 C ATOM 750 C LYS A 54 -1.710 -3.333 -16.460 1.00 0.00 C ATOM 751 O LYS A 54 -2.572 -3.438 -17.331 1.00 0.00 O ATOM 752 CB LYS A 54 -0.972 -5.428 -15.183 1.00 0.00 C ATOM 753 CG LYS A 54 -0.499 -6.832 -15.567 1.00 0.00 C ATOM 754 CD LYS A 54 -0.674 -7.808 -14.402 1.00 0.00 C ATOM 755 CE LYS A 54 -2.011 -8.544 -14.499 1.00 0.00 C ATOM 756 NZ LYS A 54 -1.865 -9.781 -15.299 1.00 0.00 N ATOM 0 H LYS A 54 1.184 -4.216 -15.286 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.622 -4.992 -17.213 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.494 -5.121 -14.252 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.047 -5.440 -15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.063 -7.186 -16.430 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.549 -6.798 -15.863 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.143 -8.529 -14.402 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.621 -7.266 -13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.371 -8.790 -13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.758 -7.895 -14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.782 -10.269 -15.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.543 -9.538 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.167 -10.406 -14.847 1.00 0.00 H new ATOM 765 N TYR A 55 -1.615 -2.316 -15.617 1.00 0.00 N ATOM 766 CA TYR A 55 -2.558 -1.212 -15.667 1.00 0.00 C ATOM 767 C TYR A 55 -1.923 0.024 -16.307 1.00 0.00 C ATOM 768 O TYR A 55 -2.531 0.666 -17.163 1.00 0.00 O ATOM 769 CB TYR A 55 -2.911 -0.893 -14.212 1.00 0.00 C ATOM 770 CG TYR A 55 -4.284 -1.409 -13.777 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.431 -0.807 -14.255 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.377 -2.476 -12.907 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.723 -1.294 -13.846 1.00 0.00 C ATOM 774 CE2 TYR A 55 -5.668 -2.962 -12.497 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.778 -2.346 -12.987 1.00 0.00 C ATOM 776 OH TYR A 55 -7.998 -2.806 -12.601 1.00 0.00 O ATOM 0 H TYR A 55 -0.899 -2.233 -14.895 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.432 -1.481 -16.261 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.150 -1.324 -13.561 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.878 0.187 -14.069 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.359 0.029 -14.935 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.480 -2.947 -12.533 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.628 -0.834 -14.214 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.754 -3.796 -11.816 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.938 -3.763 -12.399 1.00 0.00 H new ATOM 785 N GLY A 56 -0.709 0.321 -15.868 1.00 0.00 N ATOM 786 CA GLY A 56 0.015 1.468 -16.388 1.00 0.00 C ATOM 787 C GLY A 56 -0.121 2.673 -15.454 1.00 0.00 C ATOM 788 O GLY A 56 -0.165 3.814 -15.910 1.00 0.00 O ATOM 0 H GLY A 56 -0.208 -0.213 -15.158 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.068 1.214 -16.508 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.366 1.725 -17.377 1.00 0.00 H new ATOM 792 N VAL A 57 -0.183 2.375 -14.164 1.00 0.00 N ATOM 793 CA VAL A 57 -0.313 3.419 -13.162 1.00 0.00 C ATOM 794 C VAL A 57 1.001 4.197 -13.068 1.00 0.00 C ATOM 795 O VAL A 57 2.056 3.688 -13.446 1.00 0.00 O ATOM 796 CB VAL A 57 -0.745 2.810 -11.826 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.948 1.883 -12.009 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.418 2.075 -11.158 1.00 0.00 C ATOM 0 H VAL A 57 -0.146 1.427 -13.790 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.090 4.128 -13.447 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.048 3.625 -11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.234 1.464 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.784 2.448 -12.421 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.684 1.075 -12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.085 1.652 -10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.766 1.274 -11.811 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.234 2.774 -10.976 1.00 0.00 H new ATOM 808 N LYS A 58 0.895 5.416 -12.561 1.00 0.00 N ATOM 809 CA LYS A 58 2.063 6.269 -12.412 1.00 0.00 C ATOM 810 C LYS A 58 2.591 6.157 -10.981 1.00 0.00 C ATOM 811 O LYS A 58 2.073 6.802 -10.072 1.00 0.00 O ATOM 812 CB LYS A 58 1.738 7.702 -12.838 1.00 0.00 C ATOM 813 CG LYS A 58 0.464 8.201 -12.153 1.00 0.00 C ATOM 814 CD LYS A 58 -0.765 7.948 -13.028 1.00 0.00 C ATOM 815 CE LYS A 58 -1.649 9.195 -13.107 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.615 9.769 -14.470 1.00 0.00 N ATOM 0 H LYS A 58 0.019 5.834 -12.248 1.00 0.00 H new ATOM 0 HA LYS A 58 2.863 5.939 -13.074 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.571 8.358 -12.587 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.614 7.744 -13.920 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.342 7.698 -11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.553 9.267 -11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.449 7.658 -14.030 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.340 7.116 -12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.674 8.939 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.307 9.937 -12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.220 10.614 -14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.638 10.032 -14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.963 9.065 -15.152 1.00 0.00 H new ATOM 825 N ILE A 59 3.618 5.333 -10.826 1.00 0.00 N ATOM 826 CA ILE A 59 4.223 5.130 -9.521 1.00 0.00 C ATOM 827 C ILE A 59 5.703 4.784 -9.698 1.00 0.00 C ATOM 828 O ILE A 59 6.115 3.655 -9.438 1.00 0.00 O ATOM 829 CB ILE A 59 3.439 4.085 -8.724 1.00 0.00 C ATOM 830 CG1 ILE A 59 1.982 4.516 -8.542 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.121 3.789 -7.388 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.239 3.556 -7.609 1.00 0.00 C ATOM 0 H ILE A 59 4.046 4.799 -11.582 1.00 0.00 H new ATOM 0 HA ILE A 59 4.177 6.047 -8.933 1.00 0.00 H new ATOM 0 HB ILE A 59 3.431 3.155 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.946 5.526 -8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.484 4.546 -9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.543 3.043 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.126 3.408 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.181 4.704 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.206 3.885 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.256 2.552 -8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.725 3.547 -6.634 1.00 0.00 H new ATOM 843 N PRO A 60 6.481 5.803 -10.150 1.00 0.00 N ATOM 844 CA PRO A 60 7.906 5.618 -10.364 1.00 0.00 C ATOM 845 C PRO A 60 8.661 5.586 -9.034 1.00 0.00 C ATOM 846 O PRO A 60 8.096 5.898 -7.987 1.00 0.00 O ATOM 847 CB PRO A 60 8.323 6.777 -11.255 1.00 0.00 C ATOM 848 CG PRO A 60 7.224 7.819 -11.126 1.00 0.00 C ATOM 849 CD PRO A 60 6.027 7.154 -10.467 1.00 0.00 C ATOM 0 HA PRO A 60 8.140 4.664 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.285 7.183 -10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.435 6.453 -12.290 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.567 8.664 -10.530 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.952 8.210 -12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.721 7.690 -9.568 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.166 7.136 -11.136 1.00 0.00 H new ATOM 854 N ASP A 61 9.928 5.205 -9.118 1.00 0.00 N ATOM 855 CA ASP A 61 10.766 5.127 -7.933 1.00 0.00 C ATOM 856 C ASP A 61 10.730 6.469 -7.200 1.00 0.00 C ATOM 857 O ASP A 61 10.680 6.508 -5.972 1.00 0.00 O ATOM 858 CB ASP A 61 12.219 4.829 -8.307 1.00 0.00 C ATOM 859 CG ASP A 61 12.677 3.396 -8.029 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.166 2.697 -8.930 1.00 0.00 O ATOM 861 OD2 ASP A 61 12.515 2.997 -6.814 1.00 0.00 O ATOM 0 H ASP A 61 10.394 4.947 -9.988 1.00 0.00 H new ATOM 0 HA ASP A 61 10.385 4.325 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.356 5.039 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.867 5.514 -7.760 1.00 0.00 H new ATOM 866 N GLU A 62 10.760 7.537 -7.984 1.00 0.00 N ATOM 867 CA GLU A 62 10.733 8.877 -7.425 1.00 0.00 C ATOM 868 C GLU A 62 9.577 9.014 -6.431 1.00 0.00 C ATOM 869 O GLU A 62 9.597 9.890 -5.567 1.00 0.00 O ATOM 870 CB GLU A 62 10.633 9.930 -8.530 1.00 0.00 C ATOM 871 CG GLU A 62 10.996 11.318 -7.999 1.00 0.00 C ATOM 872 CD GLU A 62 11.653 12.168 -9.089 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.428 11.643 -9.902 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.332 13.418 -9.074 1.00 0.00 O ATOM 0 H GLU A 62 10.803 7.501 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 62 11.668 9.046 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.299 9.665 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.620 9.944 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.099 11.818 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.674 11.221 -7.151 1.00 0.00 H new ATOM 880 N ASP A 63 8.598 8.135 -6.586 1.00 0.00 N ATOM 881 CA ASP A 63 7.437 8.147 -5.714 1.00 0.00 C ATOM 882 C ASP A 63 7.415 6.862 -4.883 1.00 0.00 C ATOM 883 O ASP A 63 7.000 6.874 -3.725 1.00 0.00 O ATOM 884 CB ASP A 63 6.140 8.208 -6.523 1.00 0.00 C ATOM 885 CG ASP A 63 5.345 9.507 -6.373 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.703 10.388 -5.577 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.300 9.597 -7.126 1.00 0.00 O ATOM 0 H ASP A 63 8.585 7.410 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 63 7.505 9.027 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.380 8.066 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.504 7.374 -6.225 1.00 0.00 H new ATOM 892 N LEU A 64 7.867 5.785 -5.508 1.00 0.00 N ATOM 893 CA LEU A 64 7.905 4.495 -4.840 1.00 0.00 C ATOM 894 C LEU A 64 8.771 4.600 -3.583 1.00 0.00 C ATOM 895 O LEU A 64 8.701 3.745 -2.703 1.00 0.00 O ATOM 896 CB LEU A 64 8.361 3.403 -5.811 1.00 0.00 C ATOM 897 CG LEU A 64 7.861 1.988 -5.512 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.692 1.334 -4.407 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.367 1.994 -5.176 1.00 0.00 C ATOM 0 H LEU A 64 8.210 5.779 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 64 6.906 4.205 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.035 3.678 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.451 3.387 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 64 7.988 1.385 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.315 0.329 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.734 1.277 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.620 1.929 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.037 0.976 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.194 2.618 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.806 2.392 -6.021 1.00 0.00 H new ATOM 910 N ALA A 65 9.568 5.659 -3.539 1.00 0.00 N ATOM 911 CA ALA A 65 10.446 5.888 -2.405 1.00 0.00 C ATOM 912 C ALA A 65 9.629 6.441 -1.236 1.00 0.00 C ATOM 913 O ALA A 65 9.822 6.035 -0.091 1.00 0.00 O ATOM 914 CB ALA A 65 11.581 6.826 -2.819 1.00 0.00 C ATOM 0 H ALA A 65 9.623 6.367 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 65 10.900 4.953 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.240 6.998 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.149 6.373 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.164 7.776 -3.153 1.00 0.00 H new ATOM 920 N GLY A 66 8.733 7.360 -1.565 1.00 0.00 N ATOM 921 CA GLY A 66 7.886 7.974 -0.557 1.00 0.00 C ATOM 922 C GLY A 66 6.804 7.001 -0.083 1.00 0.00 C ATOM 923 O GLY A 66 6.533 6.903 1.112 1.00 0.00 O ATOM 0 H GLY A 66 8.575 7.694 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.494 8.289 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.420 8.871 -0.966 1.00 0.00 H new ATOM 927 N LEU A 67 6.215 6.306 -1.046 1.00 0.00 N ATOM 928 CA LEU A 67 5.170 5.344 -0.742 1.00 0.00 C ATOM 929 C LEU A 67 5.536 4.587 0.535 1.00 0.00 C ATOM 930 O LEU A 67 6.542 3.880 0.576 1.00 0.00 O ATOM 931 CB LEU A 67 4.913 4.435 -1.945 1.00 0.00 C ATOM 932 CG LEU A 67 4.356 5.117 -3.196 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.824 4.085 -4.193 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.295 6.157 -2.828 1.00 0.00 C ATOM 0 H LEU A 67 6.442 6.390 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 67 4.226 5.854 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.849 3.944 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.217 3.653 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 67 5.172 5.648 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.434 4.597 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.632 3.416 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.027 3.506 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.916 6.627 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.475 5.669 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.738 6.917 -2.184 1.00 0.00 H new ATOM 945 N ARG A 68 4.699 4.759 1.548 1.00 0.00 N ATOM 946 CA ARG A 68 4.921 4.099 2.823 1.00 0.00 C ATOM 947 C ARG A 68 3.865 3.016 3.051 1.00 0.00 C ATOM 948 O ARG A 68 4.177 1.937 3.553 1.00 0.00 O ATOM 949 CB ARG A 68 4.870 5.103 3.978 1.00 0.00 C ATOM 950 CG ARG A 68 6.241 5.244 4.641 1.00 0.00 C ATOM 951 CD ARG A 68 6.137 5.074 6.158 1.00 0.00 C ATOM 952 NE ARG A 68 7.489 5.050 6.760 1.00 0.00 N ATOM 953 CZ ARG A 68 7.725 5.044 8.088 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.701 5.058 8.968 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.975 5.023 8.515 1.00 0.00 N ATOM 0 H ARG A 68 3.866 5.346 1.511 1.00 0.00 H new ATOM 0 HA ARG A 68 5.911 3.645 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.540 6.073 3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.137 4.777 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.924 4.498 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.662 6.222 4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.555 5.891 6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.609 4.150 6.393 1.00 0.00 H new ATOM 0 HE ARG A 68 8.292 5.037 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.739 5.073 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.890 5.053 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.743 5.012 7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.172 5.018 9.516 1.00 0.00 H new ATOM 964 N THR A 69 2.638 3.341 2.673 1.00 0.00 N ATOM 965 CA THR A 69 1.535 2.408 2.830 1.00 0.00 C ATOM 966 C THR A 69 0.659 2.400 1.576 1.00 0.00 C ATOM 967 O THR A 69 0.806 3.259 0.706 1.00 0.00 O ATOM 968 CB THR A 69 0.772 2.788 4.101 1.00 0.00 C ATOM 969 OG1 THR A 69 0.442 4.161 3.911 1.00 0.00 O ATOM 970 CG2 THR A 69 1.665 2.787 5.343 1.00 0.00 C ATOM 0 H THR A 69 2.383 4.237 2.258 1.00 0.00 H new ATOM 0 HA THR A 69 1.896 1.386 2.942 1.00 0.00 H new ATOM 0 HB THR A 69 -0.055 2.093 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.056 4.488 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.074 3.063 6.216 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.084 1.792 5.489 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.474 3.506 5.210 1.00 0.00 H new ATOM 978 N VAL A 70 -0.232 1.422 1.520 1.00 0.00 N ATOM 979 CA VAL A 70 -1.131 1.292 0.386 1.00 0.00 C ATOM 980 C VAL A 70 -1.824 2.633 0.133 1.00 0.00 C ATOM 981 O VAL A 70 -1.877 3.103 -1.003 1.00 0.00 O ATOM 982 CB VAL A 70 -2.117 0.147 0.628 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.875 -0.204 -0.654 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.402 -1.081 1.196 1.00 0.00 C ATOM 0 H VAL A 70 -0.351 0.711 2.242 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.573 1.039 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.845 0.482 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.569 -1.020 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.430 0.668 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.166 -0.510 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.125 -1.880 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.642 -1.418 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.929 -0.821 2.143 1.00 0.00 H new ATOM 994 N GLY A 71 -2.337 3.210 1.209 1.00 0.00 N ATOM 995 CA GLY A 71 -3.023 4.488 1.118 1.00 0.00 C ATOM 996 C GLY A 71 -2.176 5.512 0.362 1.00 0.00 C ATOM 997 O GLY A 71 -2.705 6.317 -0.403 1.00 0.00 O ATOM 0 H GLY A 71 -2.292 2.816 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.979 4.356 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.242 4.860 2.119 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.875 5.450 0.603 1.00 0.00 N ATOM 1002 CA ASP A 72 0.051 6.363 -0.046 1.00 0.00 C ATOM 1003 C ASP A 72 0.338 5.868 -1.466 1.00 0.00 C ATOM 1004 O ASP A 72 0.503 6.669 -2.385 1.00 0.00 O ATOM 1005 CB ASP A 72 1.381 6.428 0.708 1.00 0.00 C ATOM 1006 CG ASP A 72 2.086 7.785 0.659 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.441 8.843 0.710 1.00 0.00 O ATOM 1008 OD2 ASP A 72 3.371 7.728 0.561 1.00 0.00 O ATOM 0 H ASP A 72 -0.440 4.782 1.239 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.406 7.353 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.204 6.165 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.051 5.672 0.298 1.00 0.00 H new ATOM 1013 N VAL A 73 0.388 4.551 -1.600 1.00 0.00 N ATOM 1014 CA VAL A 73 0.651 3.941 -2.892 1.00 0.00 C ATOM 1015 C VAL A 73 -0.589 4.075 -3.778 1.00 0.00 C ATOM 1016 O VAL A 73 -0.514 3.888 -4.991 1.00 0.00 O ATOM 1017 CB VAL A 73 1.096 2.489 -2.704 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.580 1.888 -4.024 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.175 2.382 -1.624 1.00 0.00 C ATOM 0 H VAL A 73 0.251 3.890 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 73 1.468 4.456 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 73 0.231 1.914 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.890 0.856 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.771 1.913 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.425 2.466 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.474 1.340 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.040 2.978 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.780 2.752 -0.678 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.702 4.400 -3.137 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.957 4.562 -3.851 1.00 0.00 C ATOM 1031 C VAL A 74 -3.176 6.045 -4.159 1.00 0.00 C ATOM 1032 O VAL A 74 -3.317 6.428 -5.319 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.102 3.944 -3.046 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.440 4.132 -3.762 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.835 2.464 -2.761 1.00 0.00 C ATOM 0 H VAL A 74 -1.761 4.556 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.925 4.033 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.159 4.465 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.237 3.684 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.638 5.196 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.401 3.650 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.664 2.049 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.739 1.924 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.912 2.364 -2.189 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.198 6.839 -3.099 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.398 8.272 -3.242 1.00 0.00 C ATOM 1047 C ALA A 75 -2.504 8.797 -4.367 1.00 0.00 C ATOM 1048 O ALA A 75 -2.991 9.410 -5.316 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.118 8.962 -1.905 1.00 0.00 C ATOM 0 H ALA A 75 -3.081 6.518 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.431 8.491 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.268 10.036 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.798 8.574 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.089 8.767 -1.604 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.212 8.538 -4.224 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.247 8.978 -5.217 1.00 0.00 C ATOM 1057 C TYR A 76 -0.774 8.747 -6.634 1.00 0.00 C ATOM 1058 O TYR A 76 -0.402 9.462 -7.563 1.00 0.00 O ATOM 1059 CB TYR A 76 0.999 8.116 -5.002 1.00 0.00 C ATOM 1060 CG TYR A 76 2.085 8.788 -4.160 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.731 9.662 -3.151 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.416 8.522 -4.408 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.753 10.295 -2.358 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.437 9.156 -3.614 1.00 0.00 C ATOM 1065 CZ TYR A 76 4.055 10.012 -2.629 1.00 0.00 C ATOM 1066 OH TYR A 76 5.019 10.610 -1.880 1.00 0.00 O ATOM 0 H TYR A 76 -0.812 8.029 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.043 10.043 -5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.704 7.184 -4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.418 7.853 -5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.689 9.870 -2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.692 7.839 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.491 10.980 -1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.482 8.956 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 76 5.902 10.313 -2.185 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.633 7.746 -6.756 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.215 7.412 -8.044 1.00 0.00 C ATOM 1077 C ILE A 77 -3.410 8.330 -8.312 1.00 0.00 C ATOM 1078 O ILE A 77 -3.311 9.271 -9.098 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.558 5.922 -8.109 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.487 5.083 -7.409 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.785 5.473 -9.554 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.799 3.590 -7.524 1.00 0.00 C ATOM 0 H ILE A 77 -1.940 7.155 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.494 7.584 -8.843 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.494 5.763 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.512 5.290 -7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.428 5.366 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.027 4.410 -9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.610 6.040 -9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.880 5.648 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.023 3.016 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.763 3.383 -7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.834 3.305 -8.576 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.512 8.023 -7.644 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.725 8.808 -7.800 1.00 0.00 C ATOM 1095 C GLN A 78 -5.415 10.299 -7.645 1.00 0.00 C ATOM 1096 O GLN A 78 -5.747 11.099 -8.518 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.797 8.365 -6.803 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.167 6.896 -7.014 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.611 6.248 -5.701 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -7.680 6.880 -4.659 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.909 4.955 -5.808 1.00 0.00 N ATOM 0 H GLN A 78 -4.591 7.241 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.117 8.640 -8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.435 8.510 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.684 8.987 -6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.968 6.821 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.311 6.356 -7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.830 4.486 -6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.217 4.433 -4.988 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.783 10.626 -6.527 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.426 12.006 -6.247 1.00 0.00 C ATOM 1110 C LYS A 79 -3.918 12.668 -7.530 1.00 0.00 C ATOM 1111 O LYS A 79 -4.366 13.755 -7.890 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.433 12.078 -5.085 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.042 11.495 -3.807 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.091 12.440 -3.219 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.441 13.478 -2.303 1.00 0.00 C ATOM 1116 NZ LYS A 79 -3.887 14.598 -3.098 1.00 0.00 N ATOM 0 H LYS A 79 -4.509 9.959 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.303 12.567 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.526 11.531 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.142 13.114 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.499 10.530 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.256 11.317 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.624 12.944 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.829 11.866 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.177 13.857 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.647 13.011 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.950 15.478 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.891 14.403 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.430 14.701 -3.979 1.00 0.00 H new