USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 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 1 GLY N :NH3+ 147:sc= 0.00863 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-0.84) USER MOD Single : A 9 GLN : amide:sc= -0.653 K(o=-0.65,f=-4.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0053) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0983) USER MOD Single : A 52 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= -0.782 (180deg=-2.51!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -20:sc= 0.22 USER MOD Single : A 65 SER OG : rot 39:sc= 0.612 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.196 -14.997 23.500 1.00 0.00 N ATOM 2 CA GLY A 1 -12.762 -14.792 23.575 1.00 0.00 C ATOM 3 C GLY A 1 -12.278 -13.722 22.617 1.00 0.00 C ATOM 4 O GLY A 1 -12.767 -13.620 21.491 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.414 -15.997 23.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.669 -14.402 24.210 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.534 -14.739 22.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.491 -14.513 24.593 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.252 -15.730 23.355 1.00 0.00 H new ATOM 8 N SER A 2 -11.317 -12.921 23.063 1.00 0.00 N ATOM 9 CA SER A 2 -10.771 -11.849 22.239 1.00 0.00 C ATOM 10 C SER A 2 -9.716 -12.387 21.276 1.00 0.00 C ATOM 11 O SER A 2 -8.699 -12.939 21.697 1.00 0.00 O ATOM 12 CB SER A 2 -10.162 -10.758 23.121 1.00 0.00 C ATOM 13 OG SER A 2 -11.170 -9.942 23.692 1.00 0.00 O ATOM 0 H SER A 2 -10.900 -12.994 23.991 1.00 0.00 H new ATOM 0 HA SER A 2 -11.587 -11.422 21.656 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.568 -11.215 23.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.484 -10.143 22.529 1.00 0.00 H new ATOM 0 HG SER A 2 -10.755 -9.254 24.253 1.00 0.00 H new ATOM 19 N SER A 3 -9.967 -12.222 19.981 1.00 0.00 N ATOM 20 CA SER A 3 -9.042 -12.695 18.957 1.00 0.00 C ATOM 21 C SER A 3 -9.440 -12.168 17.582 1.00 0.00 C ATOM 22 O SER A 3 -10.615 -11.924 17.314 1.00 0.00 O ATOM 23 CB SER A 3 -9.005 -14.224 18.940 1.00 0.00 C ATOM 24 OG SER A 3 -10.244 -14.759 18.504 1.00 0.00 O ATOM 0 H SER A 3 -10.803 -11.765 19.616 1.00 0.00 H new ATOM 0 HA SER A 3 -8.048 -12.318 19.197 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.206 -14.564 18.281 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.775 -14.597 19.938 1.00 0.00 H new ATOM 0 HG SER A 3 -10.194 -15.738 18.500 1.00 0.00 H new ATOM 30 N GLY A 4 -8.449 -11.994 16.712 1.00 0.00 N ATOM 31 CA GLY A 4 -8.715 -11.497 15.375 1.00 0.00 C ATOM 32 C GLY A 4 -7.781 -12.093 14.339 1.00 0.00 C ATOM 33 O GLY A 4 -6.776 -12.715 14.684 1.00 0.00 O ATOM 0 H GLY A 4 -7.467 -12.188 16.910 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.746 -11.725 15.104 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.616 -10.412 15.368 1.00 0.00 H new ATOM 37 N SER A 5 -8.116 -11.907 13.066 1.00 0.00 N ATOM 38 CA SER A 5 -7.303 -12.436 11.977 1.00 0.00 C ATOM 39 C SER A 5 -6.245 -11.423 11.547 1.00 0.00 C ATOM 40 O SER A 5 -5.048 -11.705 11.589 1.00 0.00 O ATOM 41 CB SER A 5 -8.189 -12.803 10.784 1.00 0.00 C ATOM 42 OG SER A 5 -8.826 -14.052 10.988 1.00 0.00 O ATOM 0 H SER A 5 -8.944 -11.394 12.764 1.00 0.00 H new ATOM 0 HA SER A 5 -6.798 -13.333 12.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.941 -12.028 10.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.585 -12.843 9.877 1.00 0.00 H new ATOM 0 HG SER A 5 -9.387 -14.263 10.213 1.00 0.00 H new ATOM 48 N SER A 6 -6.698 -10.244 11.134 1.00 0.00 N ATOM 49 CA SER A 6 -5.792 -9.190 10.692 1.00 0.00 C ATOM 50 C SER A 6 -5.136 -8.502 11.886 1.00 0.00 C ATOM 51 O SER A 6 -5.627 -8.584 13.011 1.00 0.00 O ATOM 52 CB SER A 6 -6.546 -8.162 9.847 1.00 0.00 C ATOM 53 OG SER A 6 -5.647 -7.283 9.192 1.00 0.00 O ATOM 0 H SER A 6 -7.686 -9.994 11.096 1.00 0.00 H new ATOM 0 HA SER A 6 -5.011 -9.647 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.161 -8.675 9.108 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.222 -7.589 10.482 1.00 0.00 H new ATOM 0 HG SER A 6 -6.153 -6.636 8.657 1.00 0.00 H new ATOM 59 N GLY A 7 -4.022 -7.822 11.631 1.00 0.00 N ATOM 60 CA GLY A 7 -3.317 -7.128 12.693 1.00 0.00 C ATOM 61 C GLY A 7 -2.630 -5.869 12.206 1.00 0.00 C ATOM 62 O GLY A 7 -3.156 -5.157 11.349 1.00 0.00 O ATOM 0 H GLY A 7 -3.595 -7.739 10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.021 -6.871 13.485 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.576 -7.797 13.130 1.00 0.00 H new ATOM 66 N HIS A 8 -1.451 -5.588 12.754 1.00 0.00 N ATOM 67 CA HIS A 8 -0.692 -4.404 12.371 1.00 0.00 C ATOM 68 C HIS A 8 0.808 -4.665 12.470 1.00 0.00 C ATOM 69 O HIS A 8 1.298 -5.135 13.496 1.00 0.00 O ATOM 70 CB HIS A 8 -1.074 -3.218 13.258 1.00 0.00 C ATOM 71 CG HIS A 8 -1.047 -3.532 14.722 1.00 0.00 C ATOM 72 ND1 HIS A 8 0.107 -3.501 15.476 1.00 0.00 N ATOM 73 CD2 HIS A 8 -2.041 -3.881 15.572 1.00 0.00 C ATOM 74 CE1 HIS A 8 -0.179 -3.822 16.726 1.00 0.00 C ATOM 75 NE2 HIS A 8 -1.475 -4.056 16.810 1.00 0.00 N ATOM 0 H HIS A 8 -1.001 -6.165 13.465 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.935 -4.167 11.335 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.392 -2.392 13.059 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.073 -2.878 12.986 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.085 -4.000 15.322 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.528 -3.882 17.540 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.975 -4.324 17.658 1.00 0.00 H new ATOM 83 N GLN A 9 1.530 -4.357 11.397 1.00 0.00 N ATOM 84 CA GLN A 9 2.972 -4.560 11.363 1.00 0.00 C ATOM 85 C GLN A 9 3.594 -3.856 10.160 1.00 0.00 C ATOM 86 O GLN A 9 2.958 -3.714 9.118 1.00 0.00 O ATOM 87 CB GLN A 9 3.298 -6.054 11.318 1.00 0.00 C ATOM 88 CG GLN A 9 2.979 -6.706 9.982 1.00 0.00 C ATOM 89 CD GLN A 9 1.518 -7.091 9.855 1.00 0.00 C ATOM 90 OE1 GLN A 9 0.770 -7.065 10.833 1.00 0.00 O ATOM 91 NE2 GLN A 9 1.104 -7.451 8.646 1.00 0.00 N ATOM 0 H GLN A 9 1.139 -3.966 10.540 1.00 0.00 H new ATOM 0 HA GLN A 9 3.394 -4.130 12.271 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.357 -6.193 11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.740 -6.563 12.104 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.242 -6.021 9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.597 -7.595 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.759 -7.458 7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.131 -7.721 8.499 1.00 0.00 H new ATOM 100 N GLU A 10 4.839 -3.418 10.316 1.00 0.00 N ATOM 101 CA GLU A 10 5.545 -2.728 9.242 1.00 0.00 C ATOM 102 C GLU A 10 7.053 -2.918 9.372 1.00 0.00 C ATOM 103 O GLU A 10 7.583 -3.024 10.479 1.00 0.00 O ATOM 104 CB GLU A 10 5.205 -1.236 9.256 1.00 0.00 C ATOM 105 CG GLU A 10 5.579 -0.516 7.971 1.00 0.00 C ATOM 106 CD GLU A 10 5.589 0.993 8.130 1.00 0.00 C ATOM 107 OE1 GLU A 10 4.495 1.588 8.219 1.00 0.00 O ATOM 108 OE2 GLU A 10 6.692 1.576 8.165 1.00 0.00 O ATOM 0 H GLU A 10 5.379 -3.528 11.174 1.00 0.00 H new ATOM 0 HA GLU A 10 5.223 -3.159 8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.136 -1.117 9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.720 -0.762 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.564 -0.850 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.874 -0.790 7.186 1.00 0.00 H new ATOM 115 N ILE A 11 7.738 -2.963 8.235 1.00 0.00 N ATOM 116 CA ILE A 11 9.185 -3.140 8.221 1.00 0.00 C ATOM 117 C ILE A 11 9.856 -2.110 7.319 1.00 0.00 C ATOM 118 O ILE A 11 9.293 -1.696 6.306 1.00 0.00 O ATOM 119 CB ILE A 11 9.574 -4.554 7.747 1.00 0.00 C ATOM 120 CG1 ILE A 11 11.095 -4.678 7.640 1.00 0.00 C ATOM 121 CG2 ILE A 11 8.916 -4.864 6.411 1.00 0.00 C ATOM 122 CD1 ILE A 11 11.602 -6.088 7.842 1.00 0.00 C ATOM 0 H ILE A 11 7.314 -2.879 7.311 1.00 0.00 H new ATOM 0 HA ILE A 11 9.531 -3.001 9.245 1.00 0.00 H new ATOM 0 HB ILE A 11 9.220 -5.278 8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.412 -4.324 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.558 -4.025 8.380 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.200 -5.866 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.833 -4.811 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.243 -4.138 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.688 -6.100 7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.316 -6.439 8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.168 -6.742 7.086 1.00 0.00 H new ATOM 134 N LYS A 12 11.065 -1.704 7.691 1.00 0.00 N ATOM 135 CA LYS A 12 11.816 -0.725 6.915 1.00 0.00 C ATOM 136 C LYS A 12 12.534 -1.392 5.747 1.00 0.00 C ATOM 137 O LYS A 12 13.086 -2.483 5.886 1.00 0.00 O ATOM 138 CB LYS A 12 12.831 -0.007 7.808 1.00 0.00 C ATOM 139 CG LYS A 12 12.276 1.238 8.479 1.00 0.00 C ATOM 140 CD LYS A 12 11.310 0.884 9.598 1.00 0.00 C ATOM 141 CE LYS A 12 9.882 0.775 9.086 1.00 0.00 C ATOM 142 NZ LYS A 12 8.968 0.199 10.112 1.00 0.00 N ATOM 0 H LYS A 12 11.546 -2.038 8.526 1.00 0.00 H new ATOM 0 HA LYS A 12 11.111 0.004 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.181 -0.698 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.698 0.269 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.097 1.833 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.767 1.855 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.608 -0.061 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.361 1.643 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.524 1.762 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.863 0.152 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.004 0.141 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.295 -0.753 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.966 0.807 10.956 1.00 0.00 H new ATOM 156 N GLY A 13 12.523 -0.729 4.594 1.00 0.00 N ATOM 157 CA GLY A 13 13.178 -1.273 3.419 1.00 0.00 C ATOM 158 C GLY A 13 13.386 -0.232 2.337 1.00 0.00 C ATOM 159 O GLY A 13 12.863 0.879 2.426 1.00 0.00 O ATOM 0 H GLY A 13 12.072 0.175 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.142 -1.692 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.580 -2.093 3.020 1.00 0.00 H new ATOM 163 N ARG A 14 14.153 -0.590 1.313 1.00 0.00 N ATOM 164 CA ARG A 14 14.431 0.322 0.210 1.00 0.00 C ATOM 165 C ARG A 14 13.789 -0.174 -1.081 1.00 0.00 C ATOM 166 O ARG A 14 13.046 0.555 -1.739 1.00 0.00 O ATOM 167 CB ARG A 14 15.941 0.475 0.016 1.00 0.00 C ATOM 168 CG ARG A 14 16.595 1.396 1.032 1.00 0.00 C ATOM 169 CD ARG A 14 17.835 2.066 0.459 1.00 0.00 C ATOM 170 NE ARG A 14 17.502 3.266 -0.305 1.00 0.00 N ATOM 171 CZ ARG A 14 18.414 4.076 -0.835 1.00 0.00 C ATOM 172 NH1 ARG A 14 19.704 3.814 -0.684 1.00 0.00 N ATOM 173 NH2 ARG A 14 18.034 5.148 -1.518 1.00 0.00 N ATOM 0 H ARG A 14 14.593 -1.506 1.224 1.00 0.00 H new ATOM 0 HA ARG A 14 14.003 1.293 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 14 16.408 -0.508 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.133 0.859 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.881 2.157 1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 14 16.866 0.826 1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.513 2.329 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.364 1.362 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 14 16.517 3.495 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 14 19.999 2.990 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.402 4.436 -1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.042 5.352 -1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.734 5.769 -1.924 1.00 0.00 H new ATOM 187 N LYS A 15 14.078 -1.420 -1.440 1.00 0.00 N ATOM 188 CA LYS A 15 13.530 -2.016 -2.653 1.00 0.00 C ATOM 189 C LYS A 15 12.244 -2.778 -2.350 1.00 0.00 C ATOM 190 O LYS A 15 12.001 -3.182 -1.212 1.00 0.00 O ATOM 191 CB LYS A 15 14.554 -2.956 -3.293 1.00 0.00 C ATOM 192 CG LYS A 15 14.800 -4.222 -2.492 1.00 0.00 C ATOM 193 CD LYS A 15 15.202 -5.381 -3.390 1.00 0.00 C ATOM 194 CE LYS A 15 15.078 -6.714 -2.669 1.00 0.00 C ATOM 195 NZ LYS A 15 15.574 -7.844 -3.503 1.00 0.00 N ATOM 0 H LYS A 15 14.690 -2.038 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 15 13.300 -1.211 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.211 -3.228 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.497 -2.424 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.584 -4.042 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.898 -4.485 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.573 -5.388 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.229 -5.242 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.641 -6.676 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.035 -6.888 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.472 -8.735 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.020 -7.896 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.576 -7.691 -3.734 1.00 0.00 H new ATOM 209 N THR A 16 11.421 -2.973 -3.376 1.00 0.00 N ATOM 210 CA THR A 16 10.160 -3.688 -3.220 1.00 0.00 C ATOM 211 C THR A 16 10.124 -4.937 -4.093 1.00 0.00 C ATOM 212 O THR A 16 10.710 -4.967 -5.175 1.00 0.00 O ATOM 213 CB THR A 16 8.959 -2.791 -3.576 1.00 0.00 C ATOM 214 OG1 THR A 16 9.264 -1.423 -3.282 1.00 0.00 O ATOM 215 CG2 THR A 16 7.719 -3.216 -2.804 1.00 0.00 C ATOM 0 H THR A 16 11.605 -2.646 -4.324 1.00 0.00 H new ATOM 0 HA THR A 16 10.089 -3.979 -2.172 1.00 0.00 H new ATOM 0 HB THR A 16 8.759 -2.897 -4.642 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.496 -0.860 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.884 -2.568 -3.072 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.472 -4.248 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.911 -3.136 -1.734 1.00 0.00 H new ATOM 223 N LEU A 17 9.432 -5.966 -3.616 1.00 0.00 N ATOM 224 CA LEU A 17 9.320 -7.219 -4.354 1.00 0.00 C ATOM 225 C LEU A 17 7.894 -7.428 -4.856 1.00 0.00 C ATOM 226 O LEU A 17 6.978 -7.669 -4.070 1.00 0.00 O ATOM 227 CB LEU A 17 9.739 -8.394 -3.469 1.00 0.00 C ATOM 228 CG LEU A 17 9.883 -9.745 -4.172 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.248 -9.859 -4.833 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.669 -10.884 -3.186 1.00 0.00 C ATOM 0 H LEU A 17 8.941 -5.957 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 17 9.985 -7.166 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.691 -8.148 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.007 -8.500 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 17 9.120 -9.814 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.333 -10.826 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.364 -9.063 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.027 -9.769 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.775 -11.838 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.410 -10.819 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.669 -10.812 -2.759 1.00 0.00 H new ATOM 242 N ALA A 18 7.716 -7.338 -6.170 1.00 0.00 N ATOM 243 CA ALA A 18 6.403 -7.522 -6.777 1.00 0.00 C ATOM 244 C ALA A 18 6.493 -7.489 -8.299 1.00 0.00 C ATOM 245 O ALA A 18 7.350 -6.811 -8.866 1.00 0.00 O ATOM 246 CB ALA A 18 5.438 -6.456 -6.279 1.00 0.00 C ATOM 0 H ALA A 18 8.464 -7.139 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 18 6.027 -8.502 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.462 -6.605 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.343 -6.529 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.818 -5.469 -6.544 1.00 0.00 H new ATOM 252 N THR A 19 5.602 -8.226 -8.955 1.00 0.00 N ATOM 253 CA THR A 19 5.582 -8.282 -10.411 1.00 0.00 C ATOM 254 C THR A 19 5.495 -6.886 -11.015 1.00 0.00 C ATOM 255 O THR A 19 5.102 -5.922 -10.356 1.00 0.00 O ATOM 256 CB THR A 19 4.399 -9.126 -10.924 1.00 0.00 C ATOM 257 OG1 THR A 19 3.305 -9.046 -10.004 1.00 0.00 O ATOM 258 CG2 THR A 19 4.810 -10.579 -11.107 1.00 0.00 C ATOM 0 H THR A 19 4.885 -8.792 -8.501 1.00 0.00 H new ATOM 0 HA THR A 19 6.516 -8.751 -10.722 1.00 0.00 H new ATOM 0 HB THR A 19 4.090 -8.728 -11.891 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.557 -9.584 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.959 -11.155 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.623 -10.639 -11.830 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.143 -10.986 -10.152 1.00 0.00 H new ATOM 266 N PRO A 20 5.868 -6.769 -12.298 1.00 0.00 N ATOM 267 CA PRO A 20 5.840 -5.493 -13.019 1.00 0.00 C ATOM 268 C PRO A 20 4.417 -5.010 -13.287 1.00 0.00 C ATOM 269 O PRO A 20 4.113 -3.829 -13.129 1.00 0.00 O ATOM 270 CB PRO A 20 6.553 -5.813 -14.334 1.00 0.00 C ATOM 271 CG PRO A 20 6.360 -7.278 -14.524 1.00 0.00 C ATOM 272 CD PRO A 20 6.348 -7.875 -13.144 1.00 0.00 C ATOM 0 HA PRO A 20 6.309 -4.692 -12.448 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.127 -5.247 -15.163 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.611 -5.557 -14.283 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.426 -7.484 -15.047 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.163 -7.703 -15.126 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.688 -8.741 -13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.340 -8.210 -12.842 1.00 0.00 H new ATOM 280 N ALA A 21 3.551 -5.934 -13.692 1.00 0.00 N ATOM 281 CA ALA A 21 2.162 -5.603 -13.980 1.00 0.00 C ATOM 282 C ALA A 21 1.453 -5.080 -12.735 1.00 0.00 C ATOM 283 O ALA A 21 0.564 -4.232 -12.825 1.00 0.00 O ATOM 284 CB ALA A 21 1.433 -6.819 -14.532 1.00 0.00 C ATOM 0 H ALA A 21 3.788 -6.917 -13.828 1.00 0.00 H new ATOM 0 HA ALA A 21 2.151 -4.814 -14.732 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.396 -6.557 -14.743 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.918 -7.148 -15.451 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.462 -7.625 -13.798 1.00 0.00 H new ATOM 290 N VAL A 22 1.851 -5.591 -11.574 1.00 0.00 N ATOM 291 CA VAL A 22 1.254 -5.174 -10.311 1.00 0.00 C ATOM 292 C VAL A 22 1.842 -3.852 -9.834 1.00 0.00 C ATOM 293 O VAL A 22 1.134 -3.007 -9.286 1.00 0.00 O ATOM 294 CB VAL A 22 1.458 -6.239 -9.216 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.931 -5.739 -7.880 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.785 -7.544 -9.610 1.00 0.00 C ATOM 0 H VAL A 22 2.584 -6.294 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 22 0.187 -5.048 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 22 2.527 -6.426 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.084 -6.504 -7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.464 -4.832 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.133 -5.521 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.939 -8.284 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.283 -7.376 -9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.216 -7.909 -10.543 1.00 0.00 H new ATOM 306 N ARG A 23 3.142 -3.677 -10.048 1.00 0.00 N ATOM 307 CA ARG A 23 3.827 -2.456 -9.640 1.00 0.00 C ATOM 308 C ARG A 23 3.159 -1.228 -10.251 1.00 0.00 C ATOM 309 O ARG A 23 3.272 -0.121 -9.725 1.00 0.00 O ATOM 310 CB ARG A 23 5.299 -2.509 -10.053 1.00 0.00 C ATOM 311 CG ARG A 23 6.165 -3.333 -9.115 1.00 0.00 C ATOM 312 CD ARG A 23 7.548 -3.573 -9.702 1.00 0.00 C ATOM 313 NE ARG A 23 8.439 -4.233 -8.751 1.00 0.00 N ATOM 314 CZ ARG A 23 9.702 -4.543 -9.020 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.221 -4.252 -10.205 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.449 -5.143 -8.103 1.00 0.00 N ATOM 0 H ARG A 23 3.742 -4.366 -10.502 1.00 0.00 H new ATOM 0 HA ARG A 23 3.765 -2.379 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.371 -2.924 -11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.692 -1.493 -10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.259 -2.819 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.681 -4.290 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.460 -4.184 -10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.983 -2.621 -10.006 1.00 0.00 H new ATOM 0 HE ARG A 23 8.071 -4.469 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.650 -3.789 -10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.191 -4.491 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.054 -5.367 -7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.419 -5.381 -8.311 1.00 0.00 H new ATOM 330 N ARG A 24 2.464 -1.432 -11.366 1.00 0.00 N ATOM 331 CA ARG A 24 1.781 -0.342 -12.051 1.00 0.00 C ATOM 332 C ARG A 24 0.360 -0.172 -11.519 1.00 0.00 C ATOM 333 O ARG A 24 -0.251 0.886 -11.677 1.00 0.00 O ATOM 334 CB ARG A 24 1.744 -0.600 -13.558 1.00 0.00 C ATOM 335 CG ARG A 24 0.587 0.085 -14.266 1.00 0.00 C ATOM 336 CD ARG A 24 0.777 0.082 -15.775 1.00 0.00 C ATOM 337 NE ARG A 24 -0.458 0.409 -16.482 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.616 0.260 -17.793 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.379 -0.207 -18.534 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.770 0.580 -18.365 1.00 0.00 N ATOM 0 H ARG A 24 2.360 -2.343 -11.814 1.00 0.00 H new ATOM 0 HA ARG A 24 2.336 0.577 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.681 -0.260 -13.999 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.681 -1.674 -13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.345 -0.420 -14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.499 1.112 -13.911 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.550 0.801 -16.045 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.129 -0.899 -16.094 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.242 0.772 -15.940 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.268 -0.453 -18.098 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.256 -0.321 -19.540 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.537 0.941 -17.798 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.890 0.465 -19.371 1.00 0.00 H new ATOM 354 N LEU A 25 -0.159 -1.220 -10.889 1.00 0.00 N ATOM 355 CA LEU A 25 -1.508 -1.188 -10.334 1.00 0.00 C ATOM 356 C LEU A 25 -1.612 -0.156 -9.216 1.00 0.00 C ATOM 357 O LEU A 25 -2.701 0.319 -8.895 1.00 0.00 O ATOM 358 CB LEU A 25 -1.897 -2.570 -9.807 1.00 0.00 C ATOM 359 CG LEU A 25 -3.396 -2.847 -9.692 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.077 -2.666 -11.040 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.640 -4.250 -9.153 1.00 0.00 C ATOM 0 H LEU A 25 0.333 -2.102 -10.750 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.196 -0.904 -11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.458 -3.323 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.447 -2.701 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.826 -2.131 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.143 -2.867 -10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.932 -1.643 -11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.644 -3.358 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.712 -4.429 -9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.196 -4.981 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.186 -4.345 -8.166 1.00 0.00 H new ATOM 373 N ALA A 26 -0.471 0.187 -8.626 1.00 0.00 N ATOM 374 CA ALA A 26 -0.434 1.166 -7.546 1.00 0.00 C ATOM 375 C ALA A 26 -0.211 2.573 -8.089 1.00 0.00 C ATOM 376 O ALA A 26 -0.899 3.515 -7.698 1.00 0.00 O ATOM 377 CB ALA A 26 0.654 0.805 -6.545 1.00 0.00 C ATOM 0 H ALA A 26 0.439 -0.198 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.399 1.149 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.671 1.544 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.450 -0.180 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.621 0.792 -7.048 1.00 0.00 H new ATOM 383 N MET A 27 0.757 2.709 -8.990 1.00 0.00 N ATOM 384 CA MET A 27 1.070 4.002 -9.585 1.00 0.00 C ATOM 385 C MET A 27 -0.166 4.614 -10.236 1.00 0.00 C ATOM 386 O MET A 27 -0.250 5.831 -10.405 1.00 0.00 O ATOM 387 CB MET A 27 2.185 3.854 -10.623 1.00 0.00 C ATOM 388 CG MET A 27 1.676 3.552 -12.023 1.00 0.00 C ATOM 389 SD MET A 27 3.011 3.369 -13.222 1.00 0.00 S ATOM 390 CE MET A 27 2.741 4.808 -14.252 1.00 0.00 C ATOM 0 H MET A 27 1.338 1.939 -9.323 1.00 0.00 H new ATOM 0 HA MET A 27 1.408 4.667 -8.790 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.771 4.773 -10.649 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.858 3.056 -10.310 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.084 2.637 -12.001 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.011 4.354 -12.345 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.490 4.835 -15.043 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.747 4.756 -14.696 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.821 5.710 -13.645 1.00 0.00 H new ATOM 400 N GLU A 28 -1.122 3.764 -10.597 1.00 0.00 N ATOM 401 CA GLU A 28 -2.353 4.225 -11.230 1.00 0.00 C ATOM 402 C GLU A 28 -3.393 4.608 -10.180 1.00 0.00 C ATOM 403 O GLU A 28 -4.227 5.483 -10.409 1.00 0.00 O ATOM 404 CB GLU A 28 -2.916 3.139 -12.149 1.00 0.00 C ATOM 405 CG GLU A 28 -2.018 2.817 -13.332 1.00 0.00 C ATOM 406 CD GLU A 28 -2.241 3.753 -14.504 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.499 4.952 -14.267 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.157 3.286 -15.660 1.00 0.00 O ATOM 0 H GLU A 28 -1.068 2.754 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.119 5.108 -11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.077 2.231 -11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.890 3.457 -12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.976 2.875 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.198 1.791 -13.652 1.00 0.00 H new ATOM 415 N ASN A 29 -3.337 3.945 -9.030 1.00 0.00 N ATOM 416 CA ASN A 29 -4.274 4.216 -7.946 1.00 0.00 C ATOM 417 C ASN A 29 -3.588 4.966 -6.808 1.00 0.00 C ATOM 418 O ASN A 29 -4.106 5.033 -5.694 1.00 0.00 O ATOM 419 CB ASN A 29 -4.871 2.908 -7.422 1.00 0.00 C ATOM 420 CG ASN A 29 -5.804 2.256 -8.424 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.931 2.707 -8.625 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.336 1.187 -9.059 1.00 0.00 N ATOM 0 H ASN A 29 -2.653 3.217 -8.825 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.075 4.842 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.065 2.216 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.415 3.104 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.918 0.706 -9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.395 0.848 -8.861 1.00 0.00 H new ATOM 429 N ASN A 30 -2.421 5.531 -7.098 1.00 0.00 N ATOM 430 CA ASN A 30 -1.663 6.277 -6.099 1.00 0.00 C ATOM 431 C ASN A 30 -1.534 5.479 -4.806 1.00 0.00 C ATOM 432 O ASN A 30 -1.807 5.990 -3.720 1.00 0.00 O ATOM 433 CB ASN A 30 -2.338 7.621 -5.818 1.00 0.00 C ATOM 434 CG ASN A 30 -1.953 8.684 -6.829 1.00 0.00 C ATOM 435 OD1 ASN A 30 -1.941 8.434 -8.035 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.638 9.878 -6.341 1.00 0.00 N ATOM 0 H ASN A 30 -1.979 5.487 -8.016 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.663 6.455 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.420 7.490 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.066 7.959 -4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.372 10.633 -6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.662 10.040 -5.334 1.00 0.00 H new ATOM 443 N ILE A 31 -1.117 4.224 -4.931 1.00 0.00 N ATOM 444 CA ILE A 31 -0.950 3.355 -3.772 1.00 0.00 C ATOM 445 C ILE A 31 0.523 3.192 -3.414 1.00 0.00 C ATOM 446 O ILE A 31 1.385 3.142 -4.292 1.00 0.00 O ATOM 447 CB ILE A 31 -1.564 1.964 -4.018 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.086 2.070 -4.149 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.189 1.013 -2.891 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.759 0.748 -4.442 1.00 0.00 C ATOM 0 H ILE A 31 -0.888 3.786 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.472 3.832 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.165 1.566 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.495 2.480 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.326 2.775 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.630 0.034 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.104 0.918 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.564 1.404 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.836 0.898 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.378 0.346 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.549 0.046 -3.635 1.00 0.00 H new ATOM 462 N LYS A 32 0.805 3.109 -2.118 1.00 0.00 N ATOM 463 CA LYS A 32 2.173 2.949 -1.642 1.00 0.00 C ATOM 464 C LYS A 32 2.533 1.472 -1.506 1.00 0.00 C ATOM 465 O LYS A 32 2.222 0.838 -0.497 1.00 0.00 O ATOM 466 CB LYS A 32 2.353 3.654 -0.297 1.00 0.00 C ATOM 467 CG LYS A 32 2.391 5.169 -0.404 1.00 0.00 C ATOM 468 CD LYS A 32 0.996 5.768 -0.339 1.00 0.00 C ATOM 469 CE LYS A 32 0.953 7.152 -0.968 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.177 7.965 -0.442 1.00 0.00 N ATOM 0 H LYS A 32 0.104 3.150 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 32 2.841 3.402 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.538 3.365 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.278 3.307 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.001 5.576 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.868 5.457 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.293 5.112 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.674 5.830 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.893 7.668 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.859 7.057 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.172 8.901 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.076 7.485 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.074 8.078 0.587 1.00 0.00 H new ATOM 484 N LEU A 33 3.189 0.931 -2.527 1.00 0.00 N ATOM 485 CA LEU A 33 3.592 -0.471 -2.519 1.00 0.00 C ATOM 486 C LEU A 33 4.009 -0.911 -1.120 1.00 0.00 C ATOM 487 O LEU A 33 3.448 -1.855 -0.562 1.00 0.00 O ATOM 488 CB LEU A 33 4.744 -0.696 -3.502 1.00 0.00 C ATOM 489 CG LEU A 33 4.345 -1.089 -4.925 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.580 -1.372 -5.766 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.422 -2.298 -4.906 1.00 0.00 C ATOM 0 H LEU A 33 3.453 1.441 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 33 2.736 -1.071 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.337 0.217 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.392 -1.475 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 33 3.807 -0.254 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.277 -1.650 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.204 -0.479 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.145 -2.190 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.149 -2.563 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.933 -3.139 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.522 -2.060 -4.340 1.00 0.00 H new ATOM 503 N SER A 34 4.996 -0.220 -0.557 1.00 0.00 N ATOM 504 CA SER A 34 5.488 -0.541 0.777 1.00 0.00 C ATOM 505 C SER A 34 4.337 -0.634 1.774 1.00 0.00 C ATOM 506 O SER A 34 4.348 -1.473 2.674 1.00 0.00 O ATOM 507 CB SER A 34 6.494 0.516 1.240 1.00 0.00 C ATOM 508 OG SER A 34 7.351 0.000 2.243 1.00 0.00 O ATOM 0 H SER A 34 5.470 0.565 -1.004 1.00 0.00 H new ATOM 0 HA SER A 34 5.984 -1.510 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.087 0.855 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.961 1.386 1.625 1.00 0.00 H new ATOM 0 HG SER A 34 7.985 0.694 2.520 1.00 0.00 H new ATOM 514 N GLU A 35 3.345 0.234 1.606 1.00 0.00 N ATOM 515 CA GLU A 35 2.186 0.251 2.492 1.00 0.00 C ATOM 516 C GLU A 35 1.270 -0.936 2.210 1.00 0.00 C ATOM 517 O GLU A 35 0.499 -1.359 3.072 1.00 0.00 O ATOM 518 CB GLU A 35 1.410 1.559 2.327 1.00 0.00 C ATOM 519 CG GLU A 35 2.209 2.793 2.710 1.00 0.00 C ATOM 520 CD GLU A 35 2.639 2.782 4.164 1.00 0.00 C ATOM 521 OE1 GLU A 35 1.957 2.127 4.980 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.658 3.429 4.485 1.00 0.00 O ATOM 0 H GLU A 35 3.320 0.935 0.865 1.00 0.00 H new ATOM 0 HA GLU A 35 2.543 0.176 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.088 1.652 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.508 1.516 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.092 2.861 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.609 3.683 2.519 1.00 0.00 H new ATOM 529 N VAL A 36 1.360 -1.471 0.996 1.00 0.00 N ATOM 530 CA VAL A 36 0.540 -2.610 0.600 1.00 0.00 C ATOM 531 C VAL A 36 1.027 -3.894 1.261 1.00 0.00 C ATOM 532 O VAL A 36 2.180 -4.294 1.092 1.00 0.00 O ATOM 533 CB VAL A 36 0.543 -2.798 -0.928 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.367 -3.951 -1.326 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.123 -1.513 -1.624 1.00 0.00 C ATOM 0 H VAL A 36 1.992 -1.134 0.270 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.477 -2.399 0.931 1.00 0.00 H new ATOM 0 HB VAL A 36 1.557 -3.041 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.352 -4.069 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.017 -4.870 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.385 -3.741 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.131 -1.665 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.882 -1.237 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.818 -0.715 -1.365 1.00 0.00 H new ATOM 545 N VAL A 37 0.142 -4.539 2.015 1.00 0.00 N ATOM 546 CA VAL A 37 0.481 -5.779 2.700 1.00 0.00 C ATOM 547 C VAL A 37 0.635 -6.930 1.711 1.00 0.00 C ATOM 548 O VAL A 37 -0.350 -7.522 1.274 1.00 0.00 O ATOM 549 CB VAL A 37 -0.587 -6.154 3.745 1.00 0.00 C ATOM 550 CG1 VAL A 37 -0.220 -7.456 4.441 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.761 -5.030 4.755 1.00 0.00 C ATOM 0 H VAL A 37 -0.816 -4.222 2.166 1.00 0.00 H new ATOM 0 HA VAL A 37 1.431 -5.610 3.207 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.537 -6.301 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.986 -7.704 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.151 -8.256 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.741 -7.342 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.519 -5.312 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.185 -4.849 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.074 -4.122 4.239 1.00 0.00 H new ATOM 561 N GLY A 38 1.879 -7.242 1.363 1.00 0.00 N ATOM 562 CA GLY A 38 2.140 -8.321 0.428 1.00 0.00 C ATOM 563 C GLY A 38 1.598 -9.651 0.912 1.00 0.00 C ATOM 564 O GLY A 38 1.198 -9.782 2.069 1.00 0.00 O ATOM 0 H GLY A 38 2.711 -6.767 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.692 -8.079 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.215 -8.407 0.268 1.00 0.00 H new ATOM 568 N SER A 39 1.585 -10.641 0.026 1.00 0.00 N ATOM 569 CA SER A 39 1.083 -11.967 0.368 1.00 0.00 C ATOM 570 C SER A 39 2.129 -13.037 0.071 1.00 0.00 C ATOM 571 O SER A 39 2.331 -13.959 0.859 1.00 0.00 O ATOM 572 CB SER A 39 -0.202 -12.265 -0.409 1.00 0.00 C ATOM 573 OG SER A 39 -0.968 -13.265 0.240 1.00 0.00 O ATOM 0 H SER A 39 1.916 -10.550 -0.934 1.00 0.00 H new ATOM 0 HA SER A 39 0.866 -11.982 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.793 -11.354 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.047 -12.591 -1.419 1.00 0.00 H new ATOM 0 HG SER A 39 -1.784 -13.437 -0.274 1.00 0.00 H new ATOM 579 N GLY A 40 2.793 -12.906 -1.073 1.00 0.00 N ATOM 580 CA GLY A 40 3.810 -13.868 -1.455 1.00 0.00 C ATOM 581 C GLY A 40 4.664 -14.306 -0.282 1.00 0.00 C ATOM 582 O GLY A 40 4.751 -13.607 0.727 1.00 0.00 O ATOM 0 H GLY A 40 2.645 -12.151 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.331 -14.741 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.449 -13.431 -2.222 1.00 0.00 H new ATOM 586 N LYS A 41 5.295 -15.467 -0.413 1.00 0.00 N ATOM 587 CA LYS A 41 6.146 -16.000 0.646 1.00 0.00 C ATOM 588 C LYS A 41 7.180 -14.967 1.082 1.00 0.00 C ATOM 589 O LYS A 41 7.315 -14.673 2.270 1.00 0.00 O ATOM 590 CB LYS A 41 6.850 -17.273 0.169 1.00 0.00 C ATOM 591 CG LYS A 41 5.971 -18.510 0.227 1.00 0.00 C ATOM 592 CD LYS A 41 6.798 -19.773 0.404 1.00 0.00 C ATOM 593 CE LYS A 41 5.917 -20.983 0.677 1.00 0.00 C ATOM 594 NZ LYS A 41 5.164 -21.405 -0.537 1.00 0.00 N ATOM 0 H LYS A 41 5.234 -16.058 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 41 5.515 -16.240 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.191 -17.127 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.737 -17.439 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.265 -18.418 1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.384 -18.584 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.392 -19.949 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.498 -19.638 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.534 -21.810 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.215 -20.748 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.575 -22.232 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.556 -20.624 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.834 -21.654 -1.292 1.00 0.00 H new ATOM 608 N ASP A 42 7.908 -14.419 0.114 1.00 0.00 N ATOM 609 CA ASP A 42 8.929 -13.417 0.399 1.00 0.00 C ATOM 610 C ASP A 42 8.322 -12.018 0.438 1.00 0.00 C ATOM 611 O ASP A 42 8.975 -11.037 0.087 1.00 0.00 O ATOM 612 CB ASP A 42 10.039 -13.477 -0.652 1.00 0.00 C ATOM 613 CG ASP A 42 11.048 -14.571 -0.367 1.00 0.00 C ATOM 614 OD1 ASP A 42 10.636 -15.650 0.111 1.00 0.00 O ATOM 615 OD2 ASP A 42 12.249 -14.351 -0.624 1.00 0.00 O ATOM 0 H ASP A 42 7.810 -14.652 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 42 9.355 -13.635 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.596 -13.642 -1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.551 -12.516 -0.690 1.00 0.00 H new ATOM 620 N GLY A 43 7.066 -11.936 0.865 1.00 0.00 N ATOM 621 CA GLY A 43 6.390 -10.653 0.940 1.00 0.00 C ATOM 622 C GLY A 43 5.961 -10.144 -0.422 1.00 0.00 C ATOM 623 O GLY A 43 5.258 -9.138 -0.521 1.00 0.00 O ATOM 0 H GLY A 43 6.504 -12.734 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.514 -10.744 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.053 -9.923 1.405 1.00 0.00 H new ATOM 627 N ARG A 44 6.385 -10.837 -1.472 1.00 0.00 N ATOM 628 CA ARG A 44 6.043 -10.447 -2.835 1.00 0.00 C ATOM 629 C ARG A 44 4.595 -9.974 -2.917 1.00 0.00 C ATOM 630 O ARG A 44 3.664 -10.769 -2.783 1.00 0.00 O ATOM 631 CB ARG A 44 6.264 -11.617 -3.794 1.00 0.00 C ATOM 632 CG ARG A 44 5.903 -11.300 -5.236 1.00 0.00 C ATOM 633 CD ARG A 44 6.137 -12.496 -6.145 1.00 0.00 C ATOM 634 NE ARG A 44 5.078 -13.495 -6.018 1.00 0.00 N ATOM 635 CZ ARG A 44 5.150 -14.712 -6.545 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.223 -15.079 -7.231 1.00 0.00 N ATOM 637 NH2 ARG A 44 4.146 -15.565 -6.386 1.00 0.00 N ATOM 0 H ARG A 44 6.967 -11.672 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 44 6.694 -9.622 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.310 -11.920 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.671 -12.468 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.857 -10.998 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.498 -10.455 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.195 -12.159 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.097 -12.952 -5.904 1.00 0.00 H new ATOM 0 HE ARG A 44 4.238 -13.244 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.997 -14.426 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.275 -16.014 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.318 -15.286 -5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.202 -16.500 -6.791 1.00 0.00 H new ATOM 651 N ILE A 45 4.413 -8.676 -3.138 1.00 0.00 N ATOM 652 CA ILE A 45 3.079 -8.099 -3.239 1.00 0.00 C ATOM 653 C ILE A 45 2.387 -8.535 -4.524 1.00 0.00 C ATOM 654 O ILE A 45 2.762 -8.114 -5.619 1.00 0.00 O ATOM 655 CB ILE A 45 3.125 -6.560 -3.191 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.930 -6.090 -1.977 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.717 -5.988 -3.154 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.609 -4.755 -2.183 1.00 0.00 C ATOM 0 H ILE A 45 5.173 -8.005 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 45 2.513 -8.464 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 45 3.618 -6.198 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.266 -6.022 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.685 -6.840 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.767 -4.900 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.174 -6.299 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.198 -6.355 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.161 -4.485 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.299 -4.823 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.858 -3.993 -2.391 1.00 0.00 H new ATOM 670 N LEU A 46 1.371 -9.382 -4.386 1.00 0.00 N ATOM 671 CA LEU A 46 0.624 -9.875 -5.538 1.00 0.00 C ATOM 672 C LEU A 46 -0.421 -8.857 -5.985 1.00 0.00 C ATOM 673 O LEU A 46 -0.589 -7.809 -5.363 1.00 0.00 O ATOM 674 CB LEU A 46 -0.056 -11.204 -5.198 1.00 0.00 C ATOM 675 CG LEU A 46 0.823 -12.251 -4.513 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.008 -13.488 -4.168 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.005 -12.618 -5.399 1.00 0.00 C ATOM 0 H LEU A 46 1.046 -9.741 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 46 1.327 -10.031 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.910 -10.998 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.449 -11.635 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 46 1.208 -11.825 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.650 -14.222 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.804 -13.213 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.407 -13.917 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.619 -13.364 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.640 -13.025 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.603 -11.728 -5.595 1.00 0.00 H new ATOM 689 N LYS A 47 -1.121 -9.174 -7.069 1.00 0.00 N ATOM 690 CA LYS A 47 -2.152 -8.290 -7.600 1.00 0.00 C ATOM 691 C LYS A 47 -3.297 -8.129 -6.605 1.00 0.00 C ATOM 692 O LYS A 47 -3.841 -7.038 -6.441 1.00 0.00 O ATOM 693 CB LYS A 47 -2.687 -8.835 -8.926 1.00 0.00 C ATOM 694 CG LYS A 47 -3.845 -8.031 -9.491 1.00 0.00 C ATOM 695 CD LYS A 47 -4.176 -8.453 -10.912 1.00 0.00 C ATOM 696 CE LYS A 47 -5.178 -7.507 -11.556 1.00 0.00 C ATOM 697 NZ LYS A 47 -4.505 -6.367 -12.238 1.00 0.00 N ATOM 0 H LYS A 47 -0.993 -10.037 -7.597 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.703 -7.312 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.877 -8.852 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.008 -9.867 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.723 -8.161 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.595 -6.970 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.263 -8.478 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.581 -9.465 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.784 -8.056 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.858 -7.125 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.188 -5.595 -12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.716 -6.028 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.141 -6.680 -13.160 1.00 0.00 H new ATOM 711 N GLU A 48 -3.656 -9.225 -5.942 1.00 0.00 N ATOM 712 CA GLU A 48 -4.737 -9.204 -4.963 1.00 0.00 C ATOM 713 C GLU A 48 -4.452 -8.189 -3.860 1.00 0.00 C ATOM 714 O GLU A 48 -5.316 -7.389 -3.500 1.00 0.00 O ATOM 715 CB GLU A 48 -4.930 -10.594 -4.354 1.00 0.00 C ATOM 716 CG GLU A 48 -5.251 -11.669 -5.379 1.00 0.00 C ATOM 717 CD GLU A 48 -6.714 -11.672 -5.781 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.325 -10.583 -5.802 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.246 -12.763 -6.074 1.00 0.00 O ATOM 0 H GLU A 48 -3.215 -10.136 -6.065 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.652 -8.910 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.024 -10.875 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.735 -10.551 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.635 -11.517 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.988 -12.645 -4.971 1.00 0.00 H new ATOM 726 N ASP A 49 -3.235 -8.228 -3.328 1.00 0.00 N ATOM 727 CA ASP A 49 -2.834 -7.311 -2.267 1.00 0.00 C ATOM 728 C ASP A 49 -3.316 -5.894 -2.562 1.00 0.00 C ATOM 729 O ASP A 49 -3.844 -5.211 -1.684 1.00 0.00 O ATOM 730 CB ASP A 49 -1.314 -7.323 -2.100 1.00 0.00 C ATOM 731 CG ASP A 49 -0.804 -8.634 -1.537 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.505 -9.231 -0.691 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.296 -9.065 -1.940 1.00 0.00 O ATOM 0 H ASP A 49 -2.509 -8.885 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.295 -7.646 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.844 -7.138 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.017 -6.508 -1.440 1.00 0.00 H new ATOM 738 N ILE A 50 -3.128 -5.458 -3.804 1.00 0.00 N ATOM 739 CA ILE A 50 -3.543 -4.122 -4.214 1.00 0.00 C ATOM 740 C ILE A 50 -5.042 -3.928 -4.018 1.00 0.00 C ATOM 741 O ILE A 50 -5.477 -2.966 -3.382 1.00 0.00 O ATOM 742 CB ILE A 50 -3.190 -3.852 -5.689 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.681 -3.976 -5.906 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.678 -2.473 -6.106 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.904 -2.756 -5.464 1.00 0.00 C ATOM 0 H ILE A 50 -2.692 -6.010 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.003 -3.416 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.690 -4.596 -6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.314 -4.847 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.488 -4.156 -6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.421 -2.297 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.760 -2.418 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.203 -1.715 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.159 -2.915 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.243 -1.886 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.067 -2.587 -4.400 1.00 0.00 H new ATOM 757 N LEU A 51 -5.830 -4.847 -4.567 1.00 0.00 N ATOM 758 CA LEU A 51 -7.282 -4.778 -4.451 1.00 0.00 C ATOM 759 C LEU A 51 -7.712 -4.789 -2.988 1.00 0.00 C ATOM 760 O LEU A 51 -8.850 -4.450 -2.662 1.00 0.00 O ATOM 761 CB LEU A 51 -7.929 -5.949 -5.193 1.00 0.00 C ATOM 762 CG LEU A 51 -7.902 -5.872 -6.720 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.295 -7.209 -7.329 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.825 -4.767 -7.215 1.00 0.00 C ATOM 0 H LEU A 51 -5.487 -5.648 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.614 -3.843 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.430 -6.868 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.967 -6.028 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.885 -5.637 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.270 -7.135 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.595 -7.978 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.302 -7.474 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.793 -4.727 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.845 -4.972 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.499 -3.810 -6.807 1.00 0.00 H new ATOM 776 N ASN A 52 -6.795 -5.179 -2.109 1.00 0.00 N ATOM 777 CA ASN A 52 -7.080 -5.233 -0.680 1.00 0.00 C ATOM 778 C ASN A 52 -6.590 -3.969 0.020 1.00 0.00 C ATOM 779 O ASN A 52 -6.950 -3.703 1.168 1.00 0.00 O ATOM 780 CB ASN A 52 -6.421 -6.463 -0.053 1.00 0.00 C ATOM 781 CG ASN A 52 -7.175 -7.743 -0.362 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.382 -7.722 -0.600 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.463 -8.864 -0.359 1.00 0.00 N ATOM 0 H ASN A 52 -5.848 -5.462 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.160 -5.303 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.398 -6.550 -0.419 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.363 -6.330 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.915 -9.756 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.464 -8.833 -0.156 1.00 0.00 H new ATOM 790 N TYR A 53 -5.768 -3.194 -0.678 1.00 0.00 N ATOM 791 CA TYR A 53 -5.227 -1.958 -0.124 1.00 0.00 C ATOM 792 C TYR A 53 -6.192 -0.796 -0.337 1.00 0.00 C ATOM 793 O TYR A 53 -6.227 0.150 0.450 1.00 0.00 O ATOM 794 CB TYR A 53 -3.875 -1.636 -0.763 1.00 0.00 C ATOM 795 CG TYR A 53 -3.364 -0.252 -0.435 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.953 0.877 -0.993 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.293 -0.071 0.431 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.489 2.144 -0.696 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.823 1.192 0.733 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.424 2.296 0.167 1.00 0.00 C ATOM 801 OH TYR A 53 -1.960 3.557 0.466 1.00 0.00 O ATOM 0 H TYR A 53 -5.461 -3.400 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.090 -2.101 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.142 -2.372 -0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.961 -1.735 -1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.787 0.762 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.819 -0.934 0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.958 3.011 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.989 1.314 1.409 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.207 3.489 1.089 1.00 0.00 H new ATOM 811 N LEU A 54 -6.976 -0.876 -1.408 1.00 0.00 N ATOM 812 CA LEU A 54 -7.944 0.168 -1.726 1.00 0.00 C ATOM 813 C LEU A 54 -9.193 0.033 -0.861 1.00 0.00 C ATOM 814 O LEU A 54 -9.702 1.022 -0.333 1.00 0.00 O ATOM 815 CB LEU A 54 -8.325 0.103 -3.206 1.00 0.00 C ATOM 816 CG LEU A 54 -7.241 0.527 -4.197 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.477 -0.116 -5.555 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.198 2.044 -4.323 1.00 0.00 C ATOM 0 H LEU A 54 -6.960 -1.652 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.483 1.133 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.623 -0.919 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.200 0.734 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.277 0.186 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.695 0.198 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.457 -1.201 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.448 0.194 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.421 2.328 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.163 2.407 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.980 2.484 -3.350 1.00 0.00 H new ATOM 830 N GLU A 55 -9.681 -1.194 -0.721 1.00 0.00 N ATOM 831 CA GLU A 55 -10.870 -1.457 0.081 1.00 0.00 C ATOM 832 C GLU A 55 -10.755 -0.803 1.455 1.00 0.00 C ATOM 833 O GLU A 55 -11.755 -0.400 2.049 1.00 0.00 O ATOM 834 CB GLU A 55 -11.085 -2.963 0.238 1.00 0.00 C ATOM 835 CG GLU A 55 -10.048 -3.638 1.121 1.00 0.00 C ATOM 836 CD GLU A 55 -10.449 -5.044 1.524 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.042 -5.754 0.685 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.168 -5.433 2.676 1.00 0.00 O ATOM 0 H GLU A 55 -9.272 -2.023 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.728 -1.027 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.076 -3.138 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.069 -3.428 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.095 -3.674 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.894 -3.037 2.017 1.00 0.00 H new ATOM 845 N LYS A 56 -9.528 -0.701 1.954 1.00 0.00 N ATOM 846 CA LYS A 56 -9.278 -0.095 3.256 1.00 0.00 C ATOM 847 C LYS A 56 -9.443 1.420 3.193 1.00 0.00 C ATOM 848 O LYS A 56 -9.802 2.055 4.184 1.00 0.00 O ATOM 849 CB LYS A 56 -7.871 -0.447 3.745 1.00 0.00 C ATOM 850 CG LYS A 56 -7.637 -1.939 3.904 1.00 0.00 C ATOM 851 CD LYS A 56 -6.399 -2.223 4.737 1.00 0.00 C ATOM 852 CE LYS A 56 -6.701 -2.157 6.226 1.00 0.00 C ATOM 853 NZ LYS A 56 -6.650 -0.759 6.740 1.00 0.00 N ATOM 0 H LYS A 56 -8.690 -1.031 1.475 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.010 -0.493 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.141 -0.046 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.695 0.044 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.507 -2.396 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.529 -2.398 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.010 -3.210 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.620 -1.501 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.688 -2.578 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.983 -2.771 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.211 -0.752 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.088 -0.171 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.615 -0.377 6.805 1.00 0.00 H new ATOM 867 N GLN A 57 -9.178 1.990 2.022 1.00 0.00 N ATOM 868 CA GLN A 57 -9.298 3.430 1.831 1.00 0.00 C ATOM 869 C GLN A 57 -10.733 3.816 1.486 1.00 0.00 C ATOM 870 O GLN A 57 -11.250 4.825 1.968 1.00 0.00 O ATOM 871 CB GLN A 57 -8.351 3.900 0.724 1.00 0.00 C ATOM 872 CG GLN A 57 -7.009 3.187 0.730 1.00 0.00 C ATOM 873 CD GLN A 57 -6.006 3.838 1.662 1.00 0.00 C ATOM 874 OE1 GLN A 57 -5.072 4.509 1.219 1.00 0.00 O ATOM 875 NE2 GLN A 57 -6.194 3.647 2.962 1.00 0.00 N ATOM 0 H GLN A 57 -8.879 1.477 1.192 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.024 3.919 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.831 3.746 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.184 4.972 0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.155 2.149 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.604 3.175 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.980 3.084 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.552 4.063 3.637 1.00 0.00 H new ATOM 884 N THR A 58 -11.373 3.008 0.645 1.00 0.00 N ATOM 885 CA THR A 58 -12.746 3.266 0.234 1.00 0.00 C ATOM 886 C THR A 58 -13.671 3.373 1.441 1.00 0.00 C ATOM 887 O THR A 58 -14.760 3.938 1.353 1.00 0.00 O ATOM 888 CB THR A 58 -13.269 2.160 -0.702 1.00 0.00 C ATOM 889 OG1 THR A 58 -13.239 0.896 -0.031 1.00 0.00 O ATOM 890 CG2 THR A 58 -12.435 2.087 -1.972 1.00 0.00 C ATOM 0 H THR A 58 -10.961 2.169 0.236 1.00 0.00 H new ATOM 0 HA THR A 58 -12.742 4.215 -0.302 1.00 0.00 H new ATOM 0 HB THR A 58 -14.296 2.401 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.619 0.942 0.727 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.823 1.299 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.485 3.042 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.399 1.868 -1.715 1.00 0.00 H new ATOM 898 N GLY A 59 -13.229 2.825 2.571 1.00 0.00 N ATOM 899 CA GLY A 59 -14.029 2.871 3.780 1.00 0.00 C ATOM 900 C GLY A 59 -13.512 3.885 4.780 1.00 0.00 C ATOM 901 O GLY A 59 -13.438 3.605 5.976 1.00 0.00 O ATOM 0 H GLY A 59 -12.331 2.351 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.059 3.114 3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.041 1.884 4.242 1.00 0.00 H new ATOM 905 N ALA A 60 -13.152 5.067 4.289 1.00 0.00 N ATOM 906 CA ALA A 60 -12.639 6.126 5.149 1.00 0.00 C ATOM 907 C ALA A 60 -13.318 7.458 4.844 1.00 0.00 C ATOM 908 O ALA A 60 -13.891 7.640 3.769 1.00 0.00 O ATOM 909 CB ALA A 60 -11.131 6.252 4.988 1.00 0.00 C ATOM 0 H ALA A 60 -13.206 5.315 3.301 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.863 5.862 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.761 7.047 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.656 5.310 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.894 6.490 3.951 1.00 0.00 H new ATOM 915 N ILE A 61 -13.249 8.383 5.795 1.00 0.00 N ATOM 916 CA ILE A 61 -13.857 9.697 5.627 1.00 0.00 C ATOM 917 C ILE A 61 -12.945 10.628 4.834 1.00 0.00 C ATOM 918 O ILE A 61 -12.849 11.820 5.127 1.00 0.00 O ATOM 919 CB ILE A 61 -14.179 10.346 6.985 1.00 0.00 C ATOM 920 CG1 ILE A 61 -12.908 10.473 7.829 1.00 0.00 C ATOM 921 CG2 ILE A 61 -15.233 9.536 7.724 1.00 0.00 C ATOM 922 CD1 ILE A 61 -12.987 11.554 8.883 1.00 0.00 C ATOM 0 H ILE A 61 -12.778 8.247 6.690 1.00 0.00 H new ATOM 0 HA ILE A 61 -14.786 9.547 5.076 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.576 11.345 6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.707 9.518 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.064 10.680 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -15.449 10.008 8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -16.144 9.493 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -14.862 8.525 7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -12.052 11.586 9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -13.157 12.518 8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -13.810 11.338 9.565 1.00 0.00 H new ATOM 934 N LEU A 62 -12.277 10.075 3.826 1.00 0.00 N ATOM 935 CA LEU A 62 -11.373 10.855 2.990 1.00 0.00 C ATOM 936 C LEU A 62 -12.093 11.377 1.750 1.00 0.00 C ATOM 937 O LEU A 62 -12.972 10.721 1.191 1.00 0.00 O ATOM 938 CB LEU A 62 -10.170 10.007 2.575 1.00 0.00 C ATOM 939 CG LEU A 62 -10.482 8.756 1.753 1.00 0.00 C ATOM 940 CD1 LEU A 62 -10.517 9.088 0.269 1.00 0.00 C ATOM 941 CD2 LEU A 62 -9.459 7.665 2.034 1.00 0.00 C ATOM 0 H LEU A 62 -12.345 9.090 3.569 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.025 11.708 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.489 10.635 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.638 9.702 3.476 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.465 8.388 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.740 8.186 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.288 9.836 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.548 9.481 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.696 6.782 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.464 8.023 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.483 7.408 3.093 1.00 0.00 H new ATOM 953 N PRO A 63 -11.712 12.584 1.307 1.00 0.00 N ATOM 954 CA PRO A 63 -12.306 13.219 0.127 1.00 0.00 C ATOM 955 C PRO A 63 -11.919 12.513 -1.168 1.00 0.00 C ATOM 956 O PRO A 63 -10.846 11.921 -1.284 1.00 0.00 O ATOM 957 CB PRO A 63 -11.727 14.636 0.157 1.00 0.00 C ATOM 958 CG PRO A 63 -10.446 14.506 0.905 1.00 0.00 C ATOM 959 CD PRO A 63 -10.670 13.422 1.924 1.00 0.00 C ATOM 0 HA PRO A 63 -13.395 13.188 0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.560 15.017 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.406 15.331 0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.627 14.248 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.179 15.446 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.759 12.855 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.997 13.831 2.880 1.00 0.00 H new ATOM 967 N PRO A 64 -12.812 12.576 -2.167 1.00 0.00 N ATOM 968 CA PRO A 64 -12.585 11.949 -3.473 1.00 0.00 C ATOM 969 C PRO A 64 -11.493 12.653 -4.271 1.00 0.00 C ATOM 970 O PRO A 64 -11.709 13.736 -4.814 1.00 0.00 O ATOM 971 CB PRO A 64 -13.938 12.091 -4.175 1.00 0.00 C ATOM 972 CG PRO A 64 -14.577 13.271 -3.530 1.00 0.00 C ATOM 973 CD PRO A 64 -14.111 13.265 -2.100 1.00 0.00 C ATOM 0 HA PRO A 64 -12.246 10.917 -3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.814 12.245 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.545 11.194 -4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.287 14.194 -4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.664 13.206 -3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.009 14.276 -1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.812 12.739 -1.451 1.00 0.00 H new ATOM 981 N SER A 65 -10.320 12.030 -4.340 1.00 0.00 N ATOM 982 CA SER A 65 -9.194 12.599 -5.071 1.00 0.00 C ATOM 983 C SER A 65 -8.834 11.733 -6.274 1.00 0.00 C ATOM 984 O SER A 65 -8.237 10.667 -6.129 1.00 0.00 O ATOM 985 CB SER A 65 -7.981 12.742 -4.150 1.00 0.00 C ATOM 986 OG SER A 65 -7.633 11.498 -3.568 1.00 0.00 O ATOM 0 H SER A 65 -10.125 11.131 -3.898 1.00 0.00 H new ATOM 0 HA SER A 65 -9.487 13.586 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.135 13.132 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.200 13.466 -3.365 1.00 0.00 H new ATOM 0 HG SER A 65 -7.736 10.786 -4.233 1.00 0.00 H new ATOM 992 N GLY A 66 -9.202 12.200 -7.463 1.00 0.00 N ATOM 993 CA GLY A 66 -8.909 11.456 -8.675 1.00 0.00 C ATOM 994 C GLY A 66 -10.125 10.731 -9.218 1.00 0.00 C ATOM 995 O GLY A 66 -10.984 10.267 -8.467 1.00 0.00 O ATOM 0 H GLY A 66 -9.697 13.080 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.528 12.139 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.119 10.733 -8.472 1.00 0.00 H new ATOM 999 N PRO A 67 -10.209 10.626 -10.552 1.00 0.00 N ATOM 1000 CA PRO A 67 -11.325 9.955 -11.225 1.00 0.00 C ATOM 1001 C PRO A 67 -11.307 8.444 -11.009 1.00 0.00 C ATOM 1002 O PRO A 67 -12.220 7.736 -11.435 1.00 0.00 O ATOM 1003 CB PRO A 67 -11.101 10.287 -12.702 1.00 0.00 C ATOM 1004 CG PRO A 67 -9.637 10.541 -12.815 1.00 0.00 C ATOM 1005 CD PRO A 67 -9.221 11.155 -11.508 1.00 0.00 C ATOM 0 HA PRO A 67 -12.290 10.286 -10.842 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.411 9.463 -13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.679 11.161 -13.004 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.094 9.615 -13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.420 11.211 -13.647 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.205 10.869 -11.235 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.246 12.244 -11.550 1.00 0.00 H new ATOM 1013 N SER A 68 -10.264 7.958 -10.344 1.00 0.00 N ATOM 1014 CA SER A 68 -10.127 6.532 -10.076 1.00 0.00 C ATOM 1015 C SER A 68 -11.490 5.891 -9.835 1.00 0.00 C ATOM 1016 O SER A 68 -11.985 5.127 -10.665 1.00 0.00 O ATOM 1017 CB SER A 68 -9.223 6.305 -8.862 1.00 0.00 C ATOM 1018 OG SER A 68 -7.898 6.734 -9.126 1.00 0.00 O ATOM 0 H SER A 68 -9.502 8.531 -9.981 1.00 0.00 H new ATOM 0 HA SER A 68 -9.675 6.065 -10.951 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.620 6.846 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.221 5.247 -8.599 1.00 0.00 H new ATOM 0 HG SER A 68 -7.341 6.580 -8.335 1.00 0.00 H new ATOM 1024 N SER A 69 -12.092 6.207 -8.693 1.00 0.00 N ATOM 1025 CA SER A 69 -13.397 5.659 -8.340 1.00 0.00 C ATOM 1026 C SER A 69 -14.414 5.920 -9.447 1.00 0.00 C ATOM 1027 O SER A 69 -15.040 4.996 -9.961 1.00 0.00 O ATOM 1028 CB SER A 69 -13.889 6.266 -7.025 1.00 0.00 C ATOM 1029 OG SER A 69 -15.123 5.692 -6.628 1.00 0.00 O ATOM 0 H SER A 69 -11.697 6.839 -7.997 1.00 0.00 H new ATOM 0 HA SER A 69 -13.290 4.581 -8.217 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.143 6.107 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.006 7.344 -7.140 1.00 0.00 H new ATOM 0 HG SER A 69 -15.415 6.096 -5.784 1.00 0.00 H new ATOM 1035 N GLY A 70 -14.572 7.190 -9.808 1.00 0.00 N ATOM 1036 CA GLY A 70 -15.513 7.553 -10.852 1.00 0.00 C ATOM 1037 C GLY A 70 -14.830 7.862 -12.168 1.00 0.00 C ATOM 1038 O GLY A 70 -14.612 6.968 -12.986 1.00 0.00 O ATOM 0 H GLY A 70 -14.065 7.974 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.222 6.738 -10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -16.088 8.422 -10.532 1.00 0.00 H new TER 1042 GLY A 70