USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 795 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.595 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= -1.63! (180deg=-4.88!) USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= -0.834 (180deg=-4.01!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.303 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.01) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 63:sc= 1.29 USER MOD Single : A 60 SER OG : rot -52:sc= -2.38! USER MOD Single : A 71 SER OG : rot -167:sc= 0.0824! USER MOD Single : A 73 ASN : amide:sc= -2.2 K(o=-2.2,f=-4.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0689 K(o=-0.069,f=-0.78) USER MOD Single : A 80 THR OG1 : rot 14:sc= -1.44 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-6.6!) USER MOD Single : A 102 CYS SG : rot 180:sc= -1.77 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.295 -1.189 -18.399 1.00 0.00 N ATOM 2 CA GLY A 1 -12.706 -0.912 -17.034 1.00 0.00 C ATOM 3 C GLY A 1 -11.859 -1.646 -16.014 1.00 0.00 C ATOM 4 O GLY A 1 -10.675 -1.350 -15.851 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.904 -0.664 -19.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.307 -0.893 -18.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.379 -2.208 -18.587 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.644 0.160 -16.849 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.750 -1.197 -16.907 1.00 0.00 H new ATOM 8 N SER A 2 -12.466 -2.605 -15.323 1.00 0.00 N ATOM 9 CA SER A 2 -11.761 -3.380 -14.308 1.00 0.00 C ATOM 10 C SER A 2 -12.478 -4.699 -14.037 1.00 0.00 C ATOM 11 O SER A 2 -13.692 -4.806 -14.211 1.00 0.00 O ATOM 12 CB SER A 2 -11.643 -2.575 -13.012 1.00 0.00 C ATOM 13 OG SER A 2 -10.467 -1.785 -13.008 1.00 0.00 O ATOM 0 H SER A 2 -13.445 -2.864 -15.447 1.00 0.00 H new ATOM 0 HA SER A 2 -10.761 -3.600 -14.683 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.517 -1.933 -12.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.632 -3.253 -12.159 1.00 0.00 H new ATOM 0 HG SER A 2 -10.286 -1.462 -13.916 1.00 0.00 H new ATOM 19 N SER A 3 -11.717 -5.702 -13.610 1.00 0.00 N ATOM 20 CA SER A 3 -12.277 -7.016 -13.319 1.00 0.00 C ATOM 21 C SER A 3 -12.518 -7.183 -11.821 1.00 0.00 C ATOM 22 O SER A 3 -11.825 -6.587 -10.999 1.00 0.00 O ATOM 23 CB SER A 3 -11.340 -8.116 -13.822 1.00 0.00 C ATOM 24 OG SER A 3 -11.583 -8.407 -15.187 1.00 0.00 O ATOM 0 H SER A 3 -10.711 -5.629 -13.458 1.00 0.00 H new ATOM 0 HA SER A 3 -13.233 -7.099 -13.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.304 -7.803 -13.692 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.478 -9.017 -13.225 1.00 0.00 H new ATOM 0 HG SER A 3 -10.971 -9.112 -15.485 1.00 0.00 H new ATOM 30 N GLY A 4 -13.508 -8.001 -11.476 1.00 0.00 N ATOM 31 CA GLY A 4 -13.825 -8.233 -10.079 1.00 0.00 C ATOM 32 C GLY A 4 -13.500 -9.646 -9.637 1.00 0.00 C ATOM 33 O GLY A 4 -14.397 -10.468 -9.451 1.00 0.00 O ATOM 0 H GLY A 4 -14.096 -8.507 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.271 -7.526 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.885 -8.038 -9.913 1.00 0.00 H new ATOM 37 N SER A 5 -12.212 -9.931 -9.471 1.00 0.00 N ATOM 38 CA SER A 5 -11.769 -11.256 -9.054 1.00 0.00 C ATOM 39 C SER A 5 -12.134 -11.517 -7.596 1.00 0.00 C ATOM 40 O SER A 5 -12.257 -10.587 -6.799 1.00 0.00 O ATOM 41 CB SER A 5 -10.258 -11.397 -9.246 1.00 0.00 C ATOM 42 OG SER A 5 -9.552 -10.508 -8.398 1.00 0.00 O ATOM 0 H SER A 5 -11.457 -9.261 -9.619 1.00 0.00 H new ATOM 0 HA SER A 5 -12.277 -11.993 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.955 -12.423 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.000 -11.195 -10.286 1.00 0.00 H new ATOM 0 HG SER A 5 -8.588 -10.618 -8.538 1.00 0.00 H new ATOM 48 N SER A 6 -12.307 -12.790 -7.254 1.00 0.00 N ATOM 49 CA SER A 6 -12.662 -13.175 -5.894 1.00 0.00 C ATOM 50 C SER A 6 -11.589 -12.729 -4.905 1.00 0.00 C ATOM 51 O SER A 6 -10.420 -12.590 -5.262 1.00 0.00 O ATOM 52 CB SER A 6 -12.856 -14.690 -5.804 1.00 0.00 C ATOM 53 OG SER A 6 -11.636 -15.375 -6.030 1.00 0.00 O ATOM 0 H SER A 6 -12.207 -13.572 -7.901 1.00 0.00 H new ATOM 0 HA SER A 6 -13.598 -12.680 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.247 -14.952 -4.821 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.597 -15.009 -6.537 1.00 0.00 H new ATOM 0 HG SER A 6 -11.787 -16.341 -5.965 1.00 0.00 H new ATOM 59 N GLY A 7 -11.996 -12.505 -3.660 1.00 0.00 N ATOM 60 CA GLY A 7 -11.059 -12.076 -2.638 1.00 0.00 C ATOM 61 C GLY A 7 -10.960 -10.567 -2.539 1.00 0.00 C ATOM 62 O GLY A 7 -9.863 -10.009 -2.553 1.00 0.00 O ATOM 0 H GLY A 7 -12.959 -12.613 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.367 -12.481 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.074 -12.488 -2.857 1.00 0.00 H new ATOM 66 N GLU A 8 -12.108 -9.905 -2.439 1.00 0.00 N ATOM 67 CA GLU A 8 -12.145 -8.451 -2.340 1.00 0.00 C ATOM 68 C GLU A 8 -11.282 -7.963 -1.180 1.00 0.00 C ATOM 69 O GLU A 8 -11.335 -8.510 -0.078 1.00 0.00 O ATOM 70 CB GLU A 8 -13.585 -7.966 -2.157 1.00 0.00 C ATOM 71 CG GLU A 8 -14.236 -8.460 -0.876 1.00 0.00 C ATOM 72 CD GLU A 8 -14.534 -9.946 -0.907 1.00 0.00 C ATOM 73 OE1 GLU A 8 -15.291 -10.379 -1.801 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.010 -10.675 -0.040 1.00 0.00 O ATOM 0 H GLU A 8 -13.025 -10.352 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.745 -8.039 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.596 -6.876 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.181 -8.295 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.580 -8.243 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.163 -7.911 -0.709 1.00 0.00 H new ATOM 81 N LEU A 9 -10.487 -6.930 -1.436 1.00 0.00 N ATOM 82 CA LEU A 9 -9.611 -6.367 -0.414 1.00 0.00 C ATOM 83 C LEU A 9 -10.329 -5.280 0.380 1.00 0.00 C ATOM 84 O LEU A 9 -10.800 -4.294 -0.184 1.00 0.00 O ATOM 85 CB LEU A 9 -8.347 -5.793 -1.058 1.00 0.00 C ATOM 86 CG LEU A 9 -7.240 -5.362 -0.095 1.00 0.00 C ATOM 87 CD1 LEU A 9 -6.952 -6.463 0.915 1.00 0.00 C ATOM 88 CD2 LEU A 9 -5.978 -4.997 -0.863 1.00 0.00 C ATOM 0 H LEU A 9 -10.431 -6.465 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.332 -7.167 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.939 -6.540 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.630 -4.932 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.580 -4.480 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.162 -6.138 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.855 -6.677 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.633 -7.364 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.201 -4.693 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.635 -5.861 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.193 -4.175 -1.546 1.00 0.00 H new ATOM 100 N ALA A 10 -10.405 -5.468 1.694 1.00 0.00 N ATOM 101 CA ALA A 10 -11.061 -4.502 2.566 1.00 0.00 C ATOM 102 C ALA A 10 -10.045 -3.568 3.214 1.00 0.00 C ATOM 103 O ALA A 10 -10.206 -2.347 3.191 1.00 0.00 O ATOM 104 CB ALA A 10 -11.874 -5.221 3.633 1.00 0.00 C ATOM 0 H ALA A 10 -10.021 -6.280 2.177 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.734 -3.898 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.359 -4.487 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.632 -5.842 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.214 -5.850 4.231 1.00 0.00 H new ATOM 110 N LEU A 11 -8.999 -4.149 3.791 1.00 0.00 N ATOM 111 CA LEU A 11 -7.955 -3.367 4.446 1.00 0.00 C ATOM 112 C LEU A 11 -7.673 -2.081 3.676 1.00 0.00 C ATOM 113 O LEU A 11 -7.564 -1.005 4.264 1.00 0.00 O ATOM 114 CB LEU A 11 -6.673 -4.193 4.568 1.00 0.00 C ATOM 115 CG LEU A 11 -6.512 -4.995 5.861 1.00 0.00 C ATOM 116 CD1 LEU A 11 -7.098 -6.389 5.700 1.00 0.00 C ATOM 117 CD2 LEU A 11 -5.046 -5.073 6.261 1.00 0.00 C ATOM 0 H LEU A 11 -8.851 -5.158 3.819 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.306 -3.102 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.629 -4.885 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.821 -3.520 4.473 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.057 -4.483 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.975 -6.945 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.159 -6.312 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.581 -6.910 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.950 -5.647 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.478 -5.561 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.658 -4.067 6.418 1.00 0.00 H new ATOM 129 N TRP A 12 -7.559 -2.200 2.358 1.00 0.00 N ATOM 130 CA TRP A 12 -7.292 -1.046 1.507 1.00 0.00 C ATOM 131 C TRP A 12 -8.404 -0.857 0.482 1.00 0.00 C ATOM 132 O TRP A 12 -9.321 -1.673 0.390 1.00 0.00 O ATOM 133 CB TRP A 12 -5.948 -1.211 0.796 1.00 0.00 C ATOM 134 CG TRP A 12 -4.813 -1.506 1.730 1.00 0.00 C ATOM 135 CD1 TRP A 12 -3.939 -0.605 2.267 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.430 -2.790 2.235 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.035 -1.251 3.076 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.316 -2.592 3.074 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.922 -4.086 2.062 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.687 -3.643 3.735 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -4.296 -5.129 2.719 1.00 0.00 C ATOM 142 CH2 TRP A 12 -3.188 -4.902 3.547 1.00 0.00 C ATOM 0 H TRP A 12 -7.647 -3.083 1.856 1.00 0.00 H new ATOM 0 HA TRP A 12 -7.253 -0.160 2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.028 -2.017 0.067 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.725 -0.300 0.241 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.956 0.459 2.083 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.278 -0.805 3.594 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.776 -4.270 1.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.833 -3.471 4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.667 -6.135 2.592 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.721 -5.738 4.046 1.00 0.00 H new ATOM 153 N SER A 13 -8.316 0.223 -0.288 1.00 0.00 N ATOM 154 CA SER A 13 -9.318 0.520 -1.305 1.00 0.00 C ATOM 155 C SER A 13 -8.839 0.078 -2.685 1.00 0.00 C ATOM 156 O SER A 13 -7.654 0.146 -3.010 1.00 0.00 O ATOM 157 CB SER A 13 -9.634 2.017 -1.318 1.00 0.00 C ATOM 158 OG SER A 13 -10.648 2.333 -0.380 1.00 0.00 O ATOM 0 H SER A 13 -7.561 0.907 -0.227 1.00 0.00 H new ATOM 0 HA SER A 13 -10.224 -0.033 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.732 2.584 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.952 2.316 -2.317 1.00 0.00 H new ATOM 0 HG SER A 13 -10.830 3.296 -0.407 1.00 0.00 H new ATOM 164 N PRO A 14 -9.783 -0.388 -3.516 1.00 0.00 N ATOM 165 CA PRO A 14 -9.484 -0.851 -4.874 1.00 0.00 C ATOM 166 C PRO A 14 -9.091 0.293 -5.803 1.00 0.00 C ATOM 167 O PRO A 14 -8.857 0.085 -6.993 1.00 0.00 O ATOM 168 CB PRO A 14 -10.800 -1.483 -5.332 1.00 0.00 C ATOM 169 CG PRO A 14 -11.849 -0.801 -4.524 1.00 0.00 C ATOM 170 CD PRO A 14 -11.216 -0.498 -3.195 1.00 0.00 C ATOM 0 HA PRO A 14 -8.637 -1.537 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.962 -1.332 -6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.804 -2.559 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.186 0.113 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.725 -1.439 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.604 0.426 -2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.406 -1.289 -2.470 1.00 0.00 H new ATOM 178 N GLU A 15 -9.020 1.500 -5.251 1.00 0.00 N ATOM 179 CA GLU A 15 -8.656 2.677 -6.031 1.00 0.00 C ATOM 180 C GLU A 15 -7.282 3.198 -5.620 1.00 0.00 C ATOM 181 O GLU A 15 -7.108 3.721 -4.519 1.00 0.00 O ATOM 182 CB GLU A 15 -9.704 3.777 -5.857 1.00 0.00 C ATOM 183 CG GLU A 15 -9.647 4.464 -4.503 1.00 0.00 C ATOM 184 CD GLU A 15 -10.989 5.025 -4.076 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.997 4.295 -4.184 1.00 0.00 O ATOM 186 OE2 GLU A 15 -11.032 6.192 -3.634 1.00 0.00 O ATOM 0 H GLU A 15 -9.210 1.688 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.617 2.387 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.568 4.523 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.696 3.347 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.300 3.753 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.915 5.271 -4.540 1.00 0.00 H new ATOM 193 N VAL A 16 -6.308 3.052 -6.513 1.00 0.00 N ATOM 194 CA VAL A 16 -4.950 3.509 -6.244 1.00 0.00 C ATOM 195 C VAL A 16 -4.741 4.936 -6.740 1.00 0.00 C ATOM 196 O VAL A 16 -5.332 5.351 -7.737 1.00 0.00 O ATOM 197 CB VAL A 16 -3.907 2.589 -6.907 1.00 0.00 C ATOM 198 CG1 VAL A 16 -4.153 2.495 -8.405 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.499 3.088 -6.621 1.00 0.00 C ATOM 0 H VAL A 16 -6.434 2.621 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.815 3.480 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.008 1.590 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.407 1.841 -8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.148 2.088 -8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.081 3.488 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.775 2.427 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.383 4.097 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.328 3.098 -5.544 1.00 0.00 H new ATOM 209 N LYS A 17 -3.897 5.683 -6.037 1.00 0.00 N ATOM 210 CA LYS A 17 -3.607 7.064 -6.405 1.00 0.00 C ATOM 211 C LYS A 17 -2.103 7.309 -6.459 1.00 0.00 C ATOM 212 O LYS A 17 -1.359 6.848 -5.592 1.00 0.00 O ATOM 213 CB LYS A 17 -4.256 8.026 -5.408 1.00 0.00 C ATOM 214 CG LYS A 17 -4.091 7.602 -3.958 1.00 0.00 C ATOM 215 CD LYS A 17 -2.828 8.186 -3.348 1.00 0.00 C ATOM 216 CE LYS A 17 -2.971 8.375 -1.845 1.00 0.00 C ATOM 217 NZ LYS A 17 -3.243 7.088 -1.148 1.00 0.00 N ATOM 0 H LYS A 17 -3.401 5.355 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.022 7.244 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.824 9.018 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.319 8.109 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.958 7.926 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.056 6.514 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.985 7.527 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.606 9.145 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.059 8.818 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.781 9.076 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.155 7.148 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.279 6.317 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.486 6.899 -0.461 1.00 0.00 H new ATOM 231 N ILE A 18 -1.662 8.036 -7.479 1.00 0.00 N ATOM 232 CA ILE A 18 -0.247 8.344 -7.643 1.00 0.00 C ATOM 233 C ILE A 18 0.117 9.648 -6.942 1.00 0.00 C ATOM 234 O ILE A 18 -0.538 10.672 -7.134 1.00 0.00 O ATOM 235 CB ILE A 18 0.138 8.449 -9.131 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.298 7.190 -9.883 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.637 8.668 -9.276 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.584 5.991 -9.616 1.00 0.00 C ATOM 0 H ILE A 18 -2.265 8.423 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 18 0.309 7.523 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.378 9.305 -9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.323 6.946 -9.603 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.300 7.398 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.894 8.740 -10.333 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.921 9.591 -8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.172 7.830 -8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.216 5.135 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.606 6.216 -9.922 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.567 5.757 -8.552 1.00 0.00 H new ATOM 250 N VAL A 19 1.168 9.603 -6.129 1.00 0.00 N ATOM 251 CA VAL A 19 1.621 10.782 -5.400 1.00 0.00 C ATOM 252 C VAL A 19 2.962 11.274 -5.933 1.00 0.00 C ATOM 253 O VAL A 19 3.925 10.513 -6.017 1.00 0.00 O ATOM 254 CB VAL A 19 1.755 10.493 -3.893 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.332 11.699 -3.168 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.408 10.101 -3.305 1.00 0.00 C ATOM 0 H VAL A 19 1.721 8.763 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 19 0.867 11.556 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 19 2.441 9.657 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.420 11.477 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.317 11.930 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.673 12.556 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.521 9.900 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.302 10.915 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.039 9.206 -3.806 1.00 0.00 H new ATOM 266 N GLU A 20 3.017 12.554 -6.291 1.00 0.00 N ATOM 267 CA GLU A 20 4.240 13.148 -6.816 1.00 0.00 C ATOM 268 C GLU A 20 5.185 13.538 -5.683 1.00 0.00 C ATOM 269 O GLU A 20 4.948 14.513 -4.970 1.00 0.00 O ATOM 270 CB GLU A 20 3.913 14.376 -7.668 1.00 0.00 C ATOM 271 CG GLU A 20 3.693 14.057 -9.137 1.00 0.00 C ATOM 272 CD GLU A 20 2.779 15.056 -9.820 1.00 0.00 C ATOM 273 OE1 GLU A 20 2.767 16.232 -9.399 1.00 0.00 O ATOM 274 OE2 GLU A 20 2.077 14.663 -10.775 1.00 0.00 O ATOM 0 H GLU A 20 2.229 13.198 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 20 4.736 12.404 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.018 14.855 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.726 15.096 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.655 14.041 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.266 13.058 -9.228 1.00 0.00 H new ATOM 281 N LEU A 21 6.257 12.769 -5.524 1.00 0.00 N ATOM 282 CA LEU A 21 7.239 13.033 -4.478 1.00 0.00 C ATOM 283 C LEU A 21 8.569 13.475 -5.079 1.00 0.00 C ATOM 284 O LEU A 21 9.115 12.812 -5.960 1.00 0.00 O ATOM 285 CB LEU A 21 7.444 11.785 -3.617 1.00 0.00 C ATOM 286 CG LEU A 21 6.365 11.506 -2.571 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.877 10.533 -1.521 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.905 12.803 -1.920 1.00 0.00 C ATOM 0 H LEU A 21 6.468 11.958 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 21 6.859 13.840 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.514 10.920 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.403 11.874 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 21 5.510 11.051 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.095 10.347 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.156 9.594 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.748 10.959 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.137 12.585 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.752 13.287 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.496 13.467 -2.681 1.00 0.00 H new ATOM 300 N VAL A 22 9.088 14.599 -4.593 1.00 0.00 N ATOM 301 CA VAL A 22 10.356 15.128 -5.080 1.00 0.00 C ATOM 302 C VAL A 22 11.523 14.615 -4.243 1.00 0.00 C ATOM 303 O VAL A 22 11.763 15.092 -3.133 1.00 0.00 O ATOM 304 CB VAL A 22 10.365 16.668 -5.064 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.716 17.199 -5.520 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.245 17.216 -5.935 1.00 0.00 C ATOM 0 H VAL A 22 8.649 15.160 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 22 10.470 14.782 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 22 10.196 17.005 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.703 18.289 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.495 16.834 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.919 16.855 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.266 18.306 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.380 16.872 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.285 16.864 -5.558 1.00 0.00 H new ATOM 316 N LYS A 23 12.247 13.640 -4.782 1.00 0.00 N ATOM 317 CA LYS A 23 13.391 13.062 -4.086 1.00 0.00 C ATOM 318 C LYS A 23 14.586 14.009 -4.124 1.00 0.00 C ATOM 319 O LYS A 23 14.904 14.581 -5.167 1.00 0.00 O ATOM 320 CB LYS A 23 13.771 11.719 -4.715 1.00 0.00 C ATOM 321 CG LYS A 23 15.058 11.132 -4.163 1.00 0.00 C ATOM 322 CD LYS A 23 15.415 9.825 -4.853 1.00 0.00 C ATOM 323 CE LYS A 23 16.920 9.607 -4.889 1.00 0.00 C ATOM 324 NZ LYS A 23 17.403 8.875 -3.685 1.00 0.00 N ATOM 0 H LYS A 23 12.062 13.233 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 23 13.109 12.902 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.959 11.009 -4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.873 11.848 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.870 11.847 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.951 10.962 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.938 8.995 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.023 9.830 -5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.184 9.046 -5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.425 10.571 -4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.012 9.500 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.589 8.574 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.946 8.039 -3.982 1.00 0.00 H new ATOM 338 N ASP A 24 15.244 14.168 -2.981 1.00 0.00 N ATOM 339 CA ASP A 24 16.406 15.044 -2.884 1.00 0.00 C ATOM 340 C ASP A 24 17.700 14.239 -2.948 1.00 0.00 C ATOM 341 O ASP A 24 17.679 13.026 -3.159 1.00 0.00 O ATOM 342 CB ASP A 24 16.356 15.852 -1.586 1.00 0.00 C ATOM 343 CG ASP A 24 15.184 16.812 -1.547 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.045 17.617 -2.492 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.406 16.760 -0.571 1.00 0.00 O ATOM 0 H ASP A 24 14.993 13.702 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 24 16.384 15.730 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.291 15.169 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.284 16.412 -1.474 1.00 0.00 H new ATOM 350 N CYS A 25 18.825 14.922 -2.764 1.00 0.00 N ATOM 351 CA CYS A 25 20.130 14.270 -2.802 1.00 0.00 C ATOM 352 C CYS A 25 20.196 13.127 -1.794 1.00 0.00 C ATOM 353 O CYS A 25 20.798 12.086 -2.058 1.00 0.00 O ATOM 354 CB CYS A 25 21.238 15.284 -2.516 1.00 0.00 C ATOM 355 SG CYS A 25 21.118 16.070 -0.891 1.00 0.00 S ATOM 0 H CYS A 25 18.860 15.926 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 25 20.274 13.858 -3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.203 14.784 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.216 16.057 -3.284 1.00 0.00 H new ATOM 0 HG CYS A 25 22.100 16.909 -0.741 1.00 0.00 H new ATOM 361 N LYS A 26 19.576 13.330 -0.637 1.00 0.00 N ATOM 362 CA LYS A 26 19.564 12.317 0.413 1.00 0.00 C ATOM 363 C LYS A 26 18.620 11.174 0.055 1.00 0.00 C ATOM 364 O LYS A 26 18.913 10.009 0.319 1.00 0.00 O ATOM 365 CB LYS A 26 19.145 12.941 1.746 1.00 0.00 C ATOM 366 CG LYS A 26 17.705 13.423 1.766 1.00 0.00 C ATOM 367 CD LYS A 26 17.303 13.920 3.145 1.00 0.00 C ATOM 368 CE LYS A 26 16.185 14.948 3.062 1.00 0.00 C ATOM 369 NZ LYS A 26 16.704 16.306 2.741 1.00 0.00 N ATOM 0 H LYS A 26 19.075 14.187 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 26 20.573 11.915 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.285 12.208 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.804 13.781 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.578 14.224 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.044 12.611 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.980 13.078 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.168 14.361 3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.468 14.644 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.649 14.979 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.912 16.978 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.369 16.607 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.194 16.283 1.824 1.00 0.00 H new ATOM 383 N GLY A 27 17.486 11.515 -0.549 1.00 0.00 N ATOM 384 CA GLY A 27 16.518 10.505 -0.934 1.00 0.00 C ATOM 385 C GLY A 27 15.114 10.842 -0.472 1.00 0.00 C ATOM 386 O GLY A 27 14.743 12.014 -0.391 1.00 0.00 O ATOM 0 H GLY A 27 17.220 12.473 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.524 10.395 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.814 9.544 -0.515 1.00 0.00 H new ATOM 390 N LEU A 28 14.330 9.813 -0.168 1.00 0.00 N ATOM 391 CA LEU A 28 12.958 10.005 0.287 1.00 0.00 C ATOM 392 C LEU A 28 12.918 10.309 1.782 1.00 0.00 C ATOM 393 O LEU A 28 13.957 10.432 2.429 1.00 0.00 O ATOM 394 CB LEU A 28 12.121 8.761 -0.014 1.00 0.00 C ATOM 395 CG LEU A 28 11.750 8.541 -1.481 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.361 9.857 -2.137 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.903 7.890 -2.231 1.00 0.00 C ATOM 0 H LEU A 28 14.621 8.837 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 28 12.539 10.856 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.668 7.886 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.201 8.817 0.568 1.00 0.00 H new ATOM 0 HG LEU A 28 10.891 7.871 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.100 9.680 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.504 10.284 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.200 10.551 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.621 7.741 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.780 8.535 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.135 6.927 -1.777 1.00 0.00 H new ATOM 409 N GLY A 29 11.710 10.426 2.325 1.00 0.00 N ATOM 410 CA GLY A 29 11.557 10.712 3.739 1.00 0.00 C ATOM 411 C GLY A 29 10.528 9.818 4.403 1.00 0.00 C ATOM 412 O GLY A 29 9.844 10.235 5.338 1.00 0.00 O ATOM 0 H GLY A 29 10.835 10.328 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.518 10.587 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.265 11.754 3.866 1.00 0.00 H new ATOM 416 N PHE A 30 10.417 8.586 3.919 1.00 0.00 N ATOM 417 CA PHE A 30 9.462 7.631 4.470 1.00 0.00 C ATOM 418 C PHE A 30 10.074 6.236 4.553 1.00 0.00 C ATOM 419 O PHE A 30 11.169 5.995 4.044 1.00 0.00 O ATOM 420 CB PHE A 30 8.194 7.594 3.615 1.00 0.00 C ATOM 421 CG PHE A 30 8.452 7.258 2.174 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.453 5.940 1.746 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.695 8.259 1.248 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.690 5.627 0.421 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.932 7.953 -0.078 1.00 0.00 C ATOM 426 CZ PHE A 30 8.931 6.635 -0.493 1.00 0.00 C ATOM 0 H PHE A 30 10.976 8.225 3.146 1.00 0.00 H new ATOM 0 HA PHE A 30 9.203 7.955 5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.505 6.860 4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.699 8.564 3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.266 5.148 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.699 9.291 1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.687 4.596 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.118 8.743 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.118 6.393 -1.529 1.00 0.00 H new ATOM 436 N SER A 31 9.359 5.320 5.199 1.00 0.00 N ATOM 437 CA SER A 31 9.833 3.950 5.353 1.00 0.00 C ATOM 438 C SER A 31 8.799 2.956 4.833 1.00 0.00 C ATOM 439 O SER A 31 7.692 3.338 4.451 1.00 0.00 O ATOM 440 CB SER A 31 10.144 3.657 6.822 1.00 0.00 C ATOM 441 OG SER A 31 11.449 4.093 7.164 1.00 0.00 O ATOM 0 H SER A 31 8.450 5.502 5.624 1.00 0.00 H new ATOM 0 HA SER A 31 10.745 3.840 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.412 4.155 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.054 2.587 7.010 1.00 0.00 H new ATOM 0 HG SER A 31 11.623 3.896 8.108 1.00 0.00 H new ATOM 447 N ILE A 32 9.168 1.679 4.821 1.00 0.00 N ATOM 448 CA ILE A 32 8.273 0.630 4.349 1.00 0.00 C ATOM 449 C ILE A 32 8.537 -0.685 5.075 1.00 0.00 C ATOM 450 O ILE A 32 9.639 -0.924 5.569 1.00 0.00 O ATOM 451 CB ILE A 32 8.420 0.405 2.833 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.890 0.503 2.421 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.580 1.413 2.064 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.225 -0.296 1.181 1.00 0.00 C ATOM 0 H ILE A 32 10.080 1.346 5.133 1.00 0.00 H new ATOM 0 HA ILE A 32 7.257 0.962 4.562 1.00 0.00 H new ATOM 0 HB ILE A 32 8.061 -0.596 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.141 1.549 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.514 0.158 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.695 1.241 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.532 1.299 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.911 2.423 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.283 -0.180 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.006 -1.349 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.628 0.064 0.344 1.00 0.00 H new ATOM 466 N LEU A 33 7.518 -1.536 5.135 1.00 0.00 N ATOM 467 CA LEU A 33 7.639 -2.829 5.799 1.00 0.00 C ATOM 468 C LEU A 33 6.884 -3.909 5.031 1.00 0.00 C ATOM 469 O LEU A 33 6.175 -3.618 4.067 1.00 0.00 O ATOM 470 CB LEU A 33 7.110 -2.741 7.231 1.00 0.00 C ATOM 471 CG LEU A 33 5.623 -3.043 7.417 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.299 -3.250 8.888 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.774 -1.922 6.835 1.00 0.00 C ATOM 0 H LEU A 33 6.599 -1.354 4.732 1.00 0.00 H new ATOM 0 HA LEU A 33 8.695 -3.099 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.681 -3.432 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.306 -1.738 7.609 1.00 0.00 H new ATOM 0 HG LEU A 33 5.390 -3.964 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.236 -3.464 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.880 -4.087 9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.548 -2.347 9.446 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.718 -2.154 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.011 -0.986 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.984 -1.822 5.770 1.00 0.00 H new ATOM 485 N ASP A 34 7.038 -5.154 5.465 1.00 0.00 N ATOM 486 CA ASP A 34 6.368 -6.278 4.820 1.00 0.00 C ATOM 487 C ASP A 34 5.158 -6.728 5.634 1.00 0.00 C ATOM 488 O ASP A 34 5.282 -7.071 6.810 1.00 0.00 O ATOM 489 CB ASP A 34 7.340 -7.444 4.640 1.00 0.00 C ATOM 490 CG ASP A 34 7.626 -8.166 5.942 1.00 0.00 C ATOM 491 OD1 ASP A 34 7.811 -7.483 6.971 1.00 0.00 O ATOM 492 OD2 ASP A 34 7.664 -9.415 5.933 1.00 0.00 O ATOM 0 H ASP A 34 7.621 -5.412 6.261 1.00 0.00 H new ATOM 0 HA ASP A 34 6.023 -5.950 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.926 -8.150 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.275 -7.072 4.221 1.00 0.00 H new ATOM 497 N TYR A 35 3.991 -6.723 5.001 1.00 0.00 N ATOM 498 CA TYR A 35 2.758 -7.128 5.666 1.00 0.00 C ATOM 499 C TYR A 35 2.233 -8.439 5.090 1.00 0.00 C ATOM 500 O TYR A 35 2.464 -8.752 3.922 1.00 0.00 O ATOM 501 CB TYR A 35 1.697 -6.035 5.529 1.00 0.00 C ATOM 502 CG TYR A 35 0.729 -5.981 6.689 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.246 -6.957 6.852 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.790 -4.954 7.622 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.133 -6.912 7.910 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.092 -4.901 8.684 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.052 -5.882 8.824 1.00 0.00 C ATOM 508 OH TYR A 35 -1.933 -5.832 9.880 1.00 0.00 O ATOM 0 H TYR A 35 3.872 -6.443 4.027 1.00 0.00 H new ATOM 0 HA TYR A 35 2.978 -7.280 6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.193 -5.069 5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.138 -6.197 4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.312 -7.765 6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.540 -4.184 7.515 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.885 -7.679 8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.030 -4.096 9.401 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.740 -5.045 10.430 1.00 0.00 H new ATOM 518 N GLN A 36 1.524 -9.200 5.918 1.00 0.00 N ATOM 519 CA GLN A 36 0.965 -10.477 5.491 1.00 0.00 C ATOM 520 C GLN A 36 -0.552 -10.485 5.640 1.00 0.00 C ATOM 521 O GLN A 36 -1.081 -10.205 6.716 1.00 0.00 O ATOM 522 CB GLN A 36 1.575 -11.622 6.303 1.00 0.00 C ATOM 523 CG GLN A 36 2.817 -12.224 5.667 1.00 0.00 C ATOM 524 CD GLN A 36 3.199 -13.557 6.280 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.324 -13.741 6.744 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.261 -14.497 6.284 1.00 0.00 N ATOM 0 H GLN A 36 1.323 -8.954 6.887 1.00 0.00 H new ATOM 0 HA GLN A 36 1.209 -10.617 4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.827 -11.256 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.827 -12.404 6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.646 -12.355 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.649 -11.528 5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.341 -14.301 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.460 -15.415 6.683 1.00 0.00 H new ATOM 535 N ASP A 37 -1.247 -10.805 4.554 1.00 0.00 N ATOM 536 CA ASP A 37 -2.705 -10.849 4.564 1.00 0.00 C ATOM 537 C ASP A 37 -3.211 -11.854 5.595 1.00 0.00 C ATOM 538 O ASP A 37 -2.666 -12.947 5.752 1.00 0.00 O ATOM 539 CB ASP A 37 -3.235 -11.213 3.176 1.00 0.00 C ATOM 540 CG ASP A 37 -4.704 -10.876 3.011 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.551 -11.682 3.450 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.006 -9.806 2.443 1.00 0.00 O ATOM 0 H ASP A 37 -0.824 -11.038 3.655 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.072 -9.860 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.656 -10.684 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.088 -12.279 3.002 1.00 0.00 H new ATOM 547 N PRO A 38 -4.277 -11.476 6.315 1.00 0.00 N ATOM 548 CA PRO A 38 -4.880 -12.330 7.344 1.00 0.00 C ATOM 549 C PRO A 38 -5.588 -13.542 6.749 1.00 0.00 C ATOM 550 O PRO A 38 -5.830 -14.533 7.440 1.00 0.00 O ATOM 551 CB PRO A 38 -5.889 -11.403 8.027 1.00 0.00 C ATOM 552 CG PRO A 38 -6.227 -10.384 6.994 1.00 0.00 C ATOM 553 CD PRO A 38 -4.978 -10.188 6.181 1.00 0.00 C ATOM 0 HA PRO A 38 -4.132 -12.742 8.022 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.775 -11.950 8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.462 -10.939 8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.052 -10.723 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.542 -9.449 7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.208 -9.962 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.377 -9.362 6.561 1.00 0.00 H new ATOM 561 N LEU A 39 -5.917 -13.458 5.465 1.00 0.00 N ATOM 562 CA LEU A 39 -6.597 -14.550 4.777 1.00 0.00 C ATOM 563 C LEU A 39 -5.619 -15.346 3.919 1.00 0.00 C ATOM 564 O LEU A 39 -5.804 -16.544 3.699 1.00 0.00 O ATOM 565 CB LEU A 39 -7.729 -14.003 3.905 1.00 0.00 C ATOM 566 CG LEU A 39 -8.604 -12.922 4.542 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.517 -12.294 3.501 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.419 -13.502 5.688 1.00 0.00 C ATOM 0 H LEU A 39 -5.724 -12.646 4.879 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.016 -15.216 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.294 -13.598 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.369 -14.835 3.612 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.954 -12.144 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.132 -11.527 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.914 -11.842 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.160 -13.062 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.035 -12.719 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.060 -14.299 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.746 -13.904 6.446 1.00 0.00 H new ATOM 580 N ASP A 40 -4.578 -14.675 3.440 1.00 0.00 N ATOM 581 CA ASP A 40 -3.568 -15.320 2.609 1.00 0.00 C ATOM 582 C ASP A 40 -2.169 -15.072 3.163 1.00 0.00 C ATOM 583 O ASP A 40 -1.541 -14.048 2.892 1.00 0.00 O ATOM 584 CB ASP A 40 -3.659 -14.810 1.170 1.00 0.00 C ATOM 585 CG ASP A 40 -3.136 -15.817 0.164 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.033 -17.010 0.518 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.829 -15.411 -0.976 1.00 0.00 O ATOM 0 H ASP A 40 -4.411 -13.684 3.613 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.757 -16.393 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.697 -14.573 0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.093 -13.883 1.080 1.00 0.00 H new ATOM 592 N PRO A 41 -1.668 -16.029 3.958 1.00 0.00 N ATOM 593 CA PRO A 41 -0.338 -15.936 4.567 1.00 0.00 C ATOM 594 C PRO A 41 0.781 -16.068 3.539 1.00 0.00 C ATOM 595 O PRO A 41 1.908 -15.631 3.773 1.00 0.00 O ATOM 596 CB PRO A 41 -0.311 -17.117 5.541 1.00 0.00 C ATOM 597 CG PRO A 41 -1.284 -18.094 4.978 1.00 0.00 C ATOM 598 CD PRO A 41 -2.362 -17.275 4.323 1.00 0.00 C ATOM 0 HA PRO A 41 -0.174 -14.969 5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.687 -17.549 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.597 -16.808 6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.802 -18.753 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.698 -18.728 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.773 -17.778 3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.194 -17.088 5.002 1.00 0.00 H new ATOM 606 N THR A 42 0.462 -16.672 2.398 1.00 0.00 N ATOM 607 CA THR A 42 1.441 -16.862 1.335 1.00 0.00 C ATOM 608 C THR A 42 1.591 -15.599 0.494 1.00 0.00 C ATOM 609 O THR A 42 2.376 -15.562 -0.453 1.00 0.00 O ATOM 610 CB THR A 42 1.050 -18.034 0.415 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.290 -17.859 -0.060 1.00 0.00 O ATOM 612 CG2 THR A 42 1.164 -19.361 1.150 1.00 0.00 C ATOM 0 H THR A 42 -0.466 -17.038 2.187 1.00 0.00 H new ATOM 0 HA THR A 42 2.392 -17.089 1.817 1.00 0.00 H new ATOM 0 HB THR A 42 1.736 -18.046 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.530 -18.608 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.883 -20.173 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.192 -19.505 1.484 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.499 -19.357 2.014 1.00 0.00 H new ATOM 620 N ARG A 43 0.834 -14.565 0.847 1.00 0.00 N ATOM 621 CA ARG A 43 0.883 -13.300 0.125 1.00 0.00 C ATOM 622 C ARG A 43 1.348 -12.170 1.038 1.00 0.00 C ATOM 623 O ARG A 43 0.899 -12.055 2.178 1.00 0.00 O ATOM 624 CB ARG A 43 -0.492 -12.967 -0.457 1.00 0.00 C ATOM 625 CG ARG A 43 -0.713 -13.521 -1.855 1.00 0.00 C ATOM 626 CD ARG A 43 -1.857 -12.811 -2.561 1.00 0.00 C ATOM 627 NE ARG A 43 -2.449 -13.637 -3.610 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.398 -13.209 -4.435 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.860 -11.970 -4.334 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.887 -14.020 -5.365 1.00 0.00 N ATOM 0 H ARG A 43 0.179 -14.579 1.629 1.00 0.00 H new ATOM 0 HA ARG A 43 1.600 -13.403 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.263 -13.360 0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.614 -11.884 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.201 -13.412 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.927 -14.588 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.623 -12.545 -1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.493 -11.880 -2.995 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.115 -14.595 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.487 -11.343 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.589 -11.644 -4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.534 -14.973 -5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.616 -13.690 -5.998 1.00 0.00 H new ATOM 644 N SER A 44 2.252 -11.339 0.529 1.00 0.00 N ATOM 645 CA SER A 44 2.782 -10.220 1.300 1.00 0.00 C ATOM 646 C SER A 44 2.652 -8.914 0.522 1.00 0.00 C ATOM 647 O SER A 44 2.708 -8.902 -0.708 1.00 0.00 O ATOM 648 CB SER A 44 4.248 -10.469 1.659 1.00 0.00 C ATOM 649 OG SER A 44 4.964 -10.983 0.549 1.00 0.00 O ATOM 0 H SER A 44 2.633 -11.419 -0.414 1.00 0.00 H new ATOM 0 HA SER A 44 2.200 -10.136 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.707 -9.539 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.308 -11.171 2.491 1.00 0.00 H new ATOM 0 HG SER A 44 5.899 -11.132 0.803 1.00 0.00 H new ATOM 655 N VAL A 45 2.477 -7.815 1.249 1.00 0.00 N ATOM 656 CA VAL A 45 2.340 -6.502 0.629 1.00 0.00 C ATOM 657 C VAL A 45 3.089 -5.438 1.423 1.00 0.00 C ATOM 658 O VAL A 45 3.054 -5.428 2.654 1.00 0.00 O ATOM 659 CB VAL A 45 0.861 -6.091 0.508 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.061 -7.174 -0.199 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.277 -5.794 1.881 1.00 0.00 C ATOM 0 H VAL A 45 2.427 -7.808 2.268 1.00 0.00 H new ATOM 0 HA VAL A 45 2.772 -6.576 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 45 0.802 -5.182 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.982 -6.865 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.466 -7.332 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.124 -8.102 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.769 -5.505 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.347 -6.684 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.834 -4.980 2.345 1.00 0.00 H new ATOM 671 N ILE A 46 3.766 -4.544 0.711 1.00 0.00 N ATOM 672 CA ILE A 46 4.523 -3.474 1.349 1.00 0.00 C ATOM 673 C ILE A 46 3.607 -2.333 1.779 1.00 0.00 C ATOM 674 O ILE A 46 2.774 -1.865 1.002 1.00 0.00 O ATOM 675 CB ILE A 46 5.612 -2.918 0.413 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.636 -4.006 0.084 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.294 -1.716 1.049 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.359 -4.543 1.299 1.00 0.00 C ATOM 0 H ILE A 46 3.806 -4.539 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 46 4.999 -3.907 2.229 1.00 0.00 H new ATOM 0 HB ILE A 46 5.142 -2.595 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.130 -4.829 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.368 -3.604 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.061 -1.334 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.556 -0.936 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.754 -2.015 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.069 -5.310 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.894 -3.731 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.636 -4.975 1.991 1.00 0.00 H new ATOM 690 N VAL A 47 3.767 -1.888 3.021 1.00 0.00 N ATOM 691 CA VAL A 47 2.956 -0.800 3.554 1.00 0.00 C ATOM 692 C VAL A 47 3.822 0.396 3.931 1.00 0.00 C ATOM 693 O VAL A 47 5.045 0.285 4.026 1.00 0.00 O ATOM 694 CB VAL A 47 2.154 -1.250 4.790 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.842 -0.487 4.882 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.907 -2.750 4.746 1.00 0.00 C ATOM 0 H VAL A 47 4.451 -2.264 3.677 1.00 0.00 H new ATOM 0 HA VAL A 47 2.261 -0.508 2.767 1.00 0.00 H new ATOM 0 HB VAL A 47 2.739 -1.027 5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.289 -0.818 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.047 0.580 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.248 -0.675 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.339 -3.051 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.343 -3.000 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.862 -3.276 4.733 1.00 0.00 H new ATOM 706 N ILE A 48 3.181 1.540 4.147 1.00 0.00 N ATOM 707 CA ILE A 48 3.893 2.757 4.516 1.00 0.00 C ATOM 708 C ILE A 48 4.244 2.759 6.000 1.00 0.00 C ATOM 709 O ILE A 48 3.468 3.230 6.831 1.00 0.00 O ATOM 710 CB ILE A 48 3.063 4.014 4.195 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.791 4.101 2.691 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.783 5.263 4.681 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.013 4.458 1.876 1.00 0.00 C ATOM 0 H ILE A 48 2.170 1.649 4.073 1.00 0.00 H new ATOM 0 HA ILE A 48 4.810 2.777 3.927 1.00 0.00 H new ATOM 0 HB ILE A 48 2.108 3.943 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.400 3.144 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.015 4.846 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.184 6.143 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.931 5.201 5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.751 5.341 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.746 4.502 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.392 5.429 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.783 3.701 2.024 1.00 0.00 H new ATOM 725 N ARG A 49 5.420 2.232 6.324 1.00 0.00 N ATOM 726 CA ARG A 49 5.876 2.174 7.708 1.00 0.00 C ATOM 727 C ARG A 49 5.543 3.468 8.445 1.00 0.00 C ATOM 728 O ARG A 49 4.765 3.469 9.398 1.00 0.00 O ATOM 729 CB ARG A 49 7.383 1.917 7.761 1.00 0.00 C ATOM 730 CG ARG A 49 7.946 1.884 9.172 1.00 0.00 C ATOM 731 CD ARG A 49 7.529 0.621 9.909 1.00 0.00 C ATOM 732 NE ARG A 49 8.468 0.272 10.972 1.00 0.00 N ATOM 733 CZ ARG A 49 9.687 -0.205 10.748 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.113 -0.389 9.506 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.484 -0.499 11.767 1.00 0.00 N ATOM 0 H ARG A 49 6.074 1.839 5.647 1.00 0.00 H new ATOM 0 HA ARG A 49 5.357 1.352 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.599 0.968 7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.896 2.693 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.034 1.941 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.601 2.759 9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.535 0.761 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.459 -0.205 9.201 1.00 0.00 H new ATOM 0 HE ARG A 49 8.171 0.402 11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.504 -0.164 8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.050 -0.755 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.161 -0.359 12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.420 -0.865 11.593 1.00 0.00 H new ATOM 749 N SER A 50 6.140 4.568 7.996 1.00 0.00 N ATOM 750 CA SER A 50 5.911 5.868 8.615 1.00 0.00 C ATOM 751 C SER A 50 6.615 6.973 7.834 1.00 0.00 C ATOM 752 O SER A 50 7.656 6.746 7.216 1.00 0.00 O ATOM 753 CB SER A 50 6.401 5.860 10.064 1.00 0.00 C ATOM 754 OG SER A 50 5.375 5.440 10.947 1.00 0.00 O ATOM 0 H SER A 50 6.785 4.584 7.206 1.00 0.00 H new ATOM 0 HA SER A 50 4.839 6.065 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.260 5.195 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.739 6.858 10.343 1.00 0.00 H new ATOM 0 HG SER A 50 5.120 4.517 10.737 1.00 0.00 H new ATOM 760 N LEU A 51 6.041 8.171 7.867 1.00 0.00 N ATOM 761 CA LEU A 51 6.613 9.313 7.163 1.00 0.00 C ATOM 762 C LEU A 51 7.565 10.089 8.067 1.00 0.00 C ATOM 763 O LEU A 51 7.151 10.666 9.072 1.00 0.00 O ATOM 764 CB LEU A 51 5.501 10.237 6.661 1.00 0.00 C ATOM 765 CG LEU A 51 4.193 9.555 6.257 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.121 10.592 5.959 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.413 8.650 5.054 1.00 0.00 C ATOM 0 H LEU A 51 5.180 8.376 8.374 1.00 0.00 H new ATOM 0 HA LEU A 51 7.177 8.937 6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.282 10.966 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.878 10.793 5.803 1.00 0.00 H new ATOM 0 HG LEU A 51 3.853 8.940 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.197 10.089 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.944 11.198 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.452 11.233 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.472 8.173 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.777 9.243 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.148 7.885 5.304 1.00 0.00 H new ATOM 779 N VAL A 52 8.843 10.101 7.701 1.00 0.00 N ATOM 780 CA VAL A 52 9.854 10.809 8.477 1.00 0.00 C ATOM 781 C VAL A 52 9.455 12.263 8.703 1.00 0.00 C ATOM 782 O VAL A 52 8.750 12.857 7.888 1.00 0.00 O ATOM 783 CB VAL A 52 11.227 10.767 7.780 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.264 11.524 8.597 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.664 9.329 7.550 1.00 0.00 C ATOM 0 H VAL A 52 9.203 9.628 6.872 1.00 0.00 H new ATOM 0 HA VAL A 52 9.927 10.302 9.439 1.00 0.00 H new ATOM 0 HB VAL A 52 11.137 11.255 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.228 11.484 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.954 12.563 8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.354 11.068 9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.636 9.319 7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.738 8.813 8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.932 8.823 6.921 1.00 0.00 H new ATOM 795 N ALA A 53 9.911 12.830 9.815 1.00 0.00 N ATOM 796 CA ALA A 53 9.603 14.215 10.148 1.00 0.00 C ATOM 797 C ALA A 53 9.995 15.152 9.011 1.00 0.00 C ATOM 798 O ALA A 53 11.176 15.310 8.702 1.00 0.00 O ATOM 799 CB ALA A 53 10.310 14.618 11.434 1.00 0.00 C ATOM 0 H ALA A 53 10.495 12.351 10.501 1.00 0.00 H new ATOM 0 HA ALA A 53 8.526 14.297 10.297 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.071 15.655 11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.979 13.974 12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.387 14.514 11.305 1.00 0.00 H new ATOM 805 N ASP A 54 8.996 15.772 8.391 1.00 0.00 N ATOM 806 CA ASP A 54 9.237 16.694 7.287 1.00 0.00 C ATOM 807 C ASP A 54 9.891 15.976 6.111 1.00 0.00 C ATOM 808 O ASP A 54 10.673 16.567 5.368 1.00 0.00 O ATOM 809 CB ASP A 54 10.120 17.855 7.748 1.00 0.00 C ATOM 810 CG ASP A 54 9.496 18.642 8.883 1.00 0.00 C ATOM 811 OD1 ASP A 54 9.424 18.106 10.009 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.080 19.796 8.647 1.00 0.00 O ATOM 0 H ASP A 54 8.013 15.653 8.634 1.00 0.00 H new ATOM 0 HA ASP A 54 8.275 17.088 6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.087 17.467 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.306 18.522 6.907 1.00 0.00 H new ATOM 817 N GLY A 55 9.566 14.697 5.950 1.00 0.00 N ATOM 818 CA GLY A 55 10.133 13.919 4.864 1.00 0.00 C ATOM 819 C GLY A 55 9.402 14.135 3.554 1.00 0.00 C ATOM 820 O GLY A 55 8.224 14.493 3.543 1.00 0.00 O ATOM 0 H GLY A 55 8.920 14.186 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.182 14.186 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.102 12.861 5.124 1.00 0.00 H new ATOM 824 N VAL A 56 10.102 13.919 2.445 1.00 0.00 N ATOM 825 CA VAL A 56 9.513 14.093 1.122 1.00 0.00 C ATOM 826 C VAL A 56 8.067 13.609 1.097 1.00 0.00 C ATOM 827 O VAL A 56 7.224 14.177 0.404 1.00 0.00 O ATOM 828 CB VAL A 56 10.314 13.336 0.047 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.672 13.513 -1.321 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.760 13.808 0.031 1.00 0.00 C ATOM 0 H VAL A 56 11.078 13.623 2.436 1.00 0.00 H new ATOM 0 HA VAL A 56 9.541 15.160 0.901 1.00 0.00 H new ATOM 0 HB VAL A 56 10.304 12.274 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.252 12.971 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.654 13.123 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.649 14.572 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.312 13.263 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.792 14.875 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.213 13.625 1.005 1.00 0.00 H new ATOM 840 N ALA A 57 7.788 12.556 1.858 1.00 0.00 N ATOM 841 CA ALA A 57 6.444 11.996 1.925 1.00 0.00 C ATOM 842 C ALA A 57 5.464 12.993 2.536 1.00 0.00 C ATOM 843 O ALA A 57 4.496 13.397 1.894 1.00 0.00 O ATOM 844 CB ALA A 57 6.450 10.702 2.725 1.00 0.00 C ATOM 0 H ALA A 57 8.475 12.073 2.437 1.00 0.00 H new ATOM 0 HA ALA A 57 6.116 11.780 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.440 10.295 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.112 9.981 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.803 10.901 3.737 1.00 0.00 H new ATOM 850 N GLU A 58 5.723 13.384 3.780 1.00 0.00 N ATOM 851 CA GLU A 58 4.862 14.333 4.477 1.00 0.00 C ATOM 852 C GLU A 58 4.826 15.672 3.747 1.00 0.00 C ATOM 853 O GLU A 58 3.770 16.290 3.614 1.00 0.00 O ATOM 854 CB GLU A 58 5.347 14.535 5.914 1.00 0.00 C ATOM 855 CG GLU A 58 4.360 15.290 6.788 1.00 0.00 C ATOM 856 CD GLU A 58 4.557 16.792 6.726 1.00 0.00 C ATOM 857 OE1 GLU A 58 3.945 17.436 5.848 1.00 0.00 O ATOM 858 OE2 GLU A 58 5.322 17.325 7.557 1.00 0.00 O ATOM 0 H GLU A 58 6.521 13.059 4.325 1.00 0.00 H new ATOM 0 HA GLU A 58 3.852 13.923 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.545 13.561 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.293 15.077 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.344 15.047 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.465 14.956 7.820 1.00 0.00 H new ATOM 865 N ARG A 59 5.988 16.115 3.277 1.00 0.00 N ATOM 866 CA ARG A 59 6.090 17.382 2.562 1.00 0.00 C ATOM 867 C ARG A 59 5.034 17.473 1.464 1.00 0.00 C ATOM 868 O ARG A 59 4.205 18.382 1.461 1.00 0.00 O ATOM 869 CB ARG A 59 7.486 17.539 1.957 1.00 0.00 C ATOM 870 CG ARG A 59 8.591 17.647 2.995 1.00 0.00 C ATOM 871 CD ARG A 59 9.899 18.106 2.370 1.00 0.00 C ATOM 872 NE ARG A 59 9.778 19.423 1.750 1.00 0.00 N ATOM 873 CZ ARG A 59 10.799 20.077 1.208 1.00 0.00 C ATOM 874 NH1 ARG A 59 12.010 19.539 1.209 1.00 0.00 N ATOM 875 NH2 ARG A 59 10.608 21.272 0.663 1.00 0.00 N ATOM 0 H ARG A 59 6.872 15.616 3.378 1.00 0.00 H new ATOM 0 HA ARG A 59 5.918 18.188 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.690 16.687 1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.502 18.429 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.293 18.349 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.736 16.680 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.675 18.135 3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.217 17.381 1.621 1.00 0.00 H new ATOM 0 HE ARG A 59 8.859 19.865 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.160 18.621 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.792 20.043 0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.677 21.688 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.392 21.774 0.247 1.00 0.00 H new ATOM 889 N SER A 60 5.073 16.525 0.533 1.00 0.00 N ATOM 890 CA SER A 60 4.123 16.501 -0.573 1.00 0.00 C ATOM 891 C SER A 60 2.688 16.495 -0.056 1.00 0.00 C ATOM 892 O SER A 60 1.816 17.171 -0.602 1.00 0.00 O ATOM 893 CB SER A 60 4.365 15.274 -1.455 1.00 0.00 C ATOM 894 OG SER A 60 3.813 14.108 -0.868 1.00 0.00 O ATOM 0 H SER A 60 5.752 15.764 0.523 1.00 0.00 H new ATOM 0 HA SER A 60 4.273 17.402 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.922 15.435 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.436 15.137 -1.607 1.00 0.00 H new ATOM 0 HG SER A 60 4.129 14.026 0.056 1.00 0.00 H new ATOM 900 N GLY A 61 2.449 15.724 1.001 1.00 0.00 N ATOM 901 CA GLY A 61 1.119 15.643 1.575 1.00 0.00 C ATOM 902 C GLY A 61 0.220 14.683 0.821 1.00 0.00 C ATOM 903 O GLY A 61 -0.924 15.010 0.506 1.00 0.00 O ATOM 0 H GLY A 61 3.153 15.154 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.194 15.325 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.666 16.635 1.577 1.00 0.00 H new ATOM 907 N GLY A 62 0.739 13.494 0.529 1.00 0.00 N ATOM 908 CA GLY A 62 -0.038 12.503 -0.192 1.00 0.00 C ATOM 909 C GLY A 62 0.089 11.117 0.410 1.00 0.00 C ATOM 910 O GLY A 62 -0.836 10.308 0.324 1.00 0.00 O ATOM 0 H GLY A 62 1.683 13.200 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.087 12.800 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.289 12.476 -1.232 1.00 0.00 H new ATOM 914 N LEU A 63 1.236 10.842 1.020 1.00 0.00 N ATOM 915 CA LEU A 63 1.482 9.543 1.637 1.00 0.00 C ATOM 916 C LEU A 63 1.076 9.554 3.107 1.00 0.00 C ATOM 917 O LEU A 63 0.990 10.612 3.731 1.00 0.00 O ATOM 918 CB LEU A 63 2.959 9.165 1.506 1.00 0.00 C ATOM 919 CG LEU A 63 3.374 8.529 0.179 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.230 9.526 -0.959 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.802 8.011 0.260 1.00 0.00 C ATOM 0 H LEU A 63 2.011 11.501 1.101 1.00 0.00 H new ATOM 0 HA LEU A 63 0.877 8.800 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.558 10.063 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.209 8.474 2.311 1.00 0.00 H new ATOM 0 HG LEU A 63 2.713 7.685 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.530 9.055 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.191 9.848 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.865 10.391 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.081 7.562 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.477 8.838 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.873 7.262 1.049 1.00 0.00 H new ATOM 933 N LEU A 64 0.830 8.369 3.656 1.00 0.00 N ATOM 934 CA LEU A 64 0.436 8.241 5.055 1.00 0.00 C ATOM 935 C LEU A 64 0.766 6.851 5.589 1.00 0.00 C ATOM 936 O LEU A 64 0.821 5.871 4.846 1.00 0.00 O ATOM 937 CB LEU A 64 -1.060 8.518 5.211 1.00 0.00 C ATOM 938 CG LEU A 64 -1.506 9.959 4.962 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.023 10.061 4.986 1.00 0.00 C ATOM 940 CD2 LEU A 64 -0.890 10.894 5.993 1.00 0.00 C ATOM 0 H LEU A 64 0.896 7.484 3.154 1.00 0.00 H new ATOM 0 HA LEU A 64 0.997 8.975 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.603 7.867 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.358 8.236 6.221 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.158 10.260 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.321 11.094 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.443 9.422 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.394 9.740 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.218 11.915 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.207 10.593 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.197 10.844 5.926 1.00 0.00 H new ATOM 952 N PRO A 65 0.989 6.761 6.908 1.00 0.00 N ATOM 953 CA PRO A 65 1.315 5.495 7.571 1.00 0.00 C ATOM 954 C PRO A 65 0.128 4.538 7.608 1.00 0.00 C ATOM 955 O PRO A 65 -0.906 4.837 8.203 1.00 0.00 O ATOM 956 CB PRO A 65 1.698 5.925 8.989 1.00 0.00 C ATOM 957 CG PRO A 65 0.985 7.216 9.199 1.00 0.00 C ATOM 958 CD PRO A 65 0.941 7.888 7.854 1.00 0.00 C ATOM 0 HA PRO A 65 2.102 4.952 7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.393 5.180 9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.777 6.048 9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.021 7.048 9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.507 7.836 9.928 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.033 8.479 7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.784 8.565 7.715 1.00 0.00 H new ATOM 966 N GLY A 66 0.285 3.383 6.966 1.00 0.00 N ATOM 967 CA GLY A 66 -0.782 2.400 6.938 1.00 0.00 C ATOM 968 C GLY A 66 -1.212 2.052 5.527 1.00 0.00 C ATOM 969 O GLY A 66 -1.759 0.975 5.285 1.00 0.00 O ATOM 0 H GLY A 66 1.131 3.112 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.452 1.495 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.639 2.783 7.492 1.00 0.00 H new ATOM 973 N ASP A 67 -0.968 2.964 4.593 1.00 0.00 N ATOM 974 CA ASP A 67 -1.334 2.749 3.199 1.00 0.00 C ATOM 975 C ASP A 67 -0.377 1.767 2.530 1.00 0.00 C ATOM 976 O ASP A 67 0.815 1.741 2.838 1.00 0.00 O ATOM 977 CB ASP A 67 -1.337 4.076 2.439 1.00 0.00 C ATOM 978 CG ASP A 67 -2.193 5.128 3.114 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.186 4.753 3.772 1.00 0.00 O ATOM 980 OD2 ASP A 67 -1.871 6.328 2.985 1.00 0.00 O ATOM 0 H ASP A 67 -0.518 3.861 4.777 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.337 2.324 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.315 4.444 2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.702 3.910 1.426 1.00 0.00 H new ATOM 985 N ARG A 68 -0.906 0.961 1.616 1.00 0.00 N ATOM 986 CA ARG A 68 -0.099 -0.024 0.907 1.00 0.00 C ATOM 987 C ARG A 68 0.524 0.584 -0.346 1.00 0.00 C ATOM 988 O ARG A 68 -0.172 1.171 -1.176 1.00 0.00 O ATOM 989 CB ARG A 68 -0.952 -1.237 0.528 1.00 0.00 C ATOM 990 CG ARG A 68 -0.174 -2.329 -0.188 1.00 0.00 C ATOM 991 CD ARG A 68 -1.056 -3.095 -1.160 1.00 0.00 C ATOM 992 NE ARG A 68 -0.308 -4.114 -1.892 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.881 -5.087 -2.591 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.203 -5.172 -2.654 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.133 -5.977 -3.230 1.00 0.00 N ATOM 0 H ARG A 68 -1.890 0.971 1.349 1.00 0.00 H new ATOM 0 HA ARG A 68 0.703 -0.346 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.398 -1.653 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.772 -0.909 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.664 -1.887 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.246 -3.018 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.872 -3.567 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.507 -2.398 -1.867 1.00 0.00 H new ATOM 0 HE ARG A 68 0.711 -4.076 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.782 -4.489 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.641 -5.920 -3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.884 -5.915 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.575 -6.724 -3.766 1.00 0.00 H new ATOM 1009 N LEU A 69 1.838 0.442 -0.476 1.00 0.00 N ATOM 1010 CA LEU A 69 2.556 0.978 -1.628 1.00 0.00 C ATOM 1011 C LEU A 69 2.488 0.015 -2.808 1.00 0.00 C ATOM 1012 O LEU A 69 3.031 -1.089 -2.754 1.00 0.00 O ATOM 1013 CB LEU A 69 4.016 1.252 -1.261 1.00 0.00 C ATOM 1014 CG LEU A 69 4.927 1.680 -2.412 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.265 2.770 -3.240 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.271 2.156 -1.879 1.00 0.00 C ATOM 0 H LEU A 69 2.429 -0.040 0.202 1.00 0.00 H new ATOM 0 HA LEU A 69 2.079 1.914 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.038 2.030 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.432 0.351 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 69 5.098 0.817 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.928 3.062 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.328 2.396 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.064 3.635 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.907 2.457 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.118 3.006 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.752 1.347 -1.329 1.00 0.00 H new ATOM 1028 N VAL A 70 1.819 0.440 -3.875 1.00 0.00 N ATOM 1029 CA VAL A 70 1.683 -0.383 -5.071 1.00 0.00 C ATOM 1030 C VAL A 70 3.008 -0.492 -5.816 1.00 0.00 C ATOM 1031 O VAL A 70 3.491 -1.592 -6.088 1.00 0.00 O ATOM 1032 CB VAL A 70 0.615 0.184 -6.025 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.481 -0.693 -7.259 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.720 0.319 -5.309 1.00 0.00 C ATOM 0 H VAL A 70 1.362 1.350 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 70 1.373 -1.374 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 70 0.931 1.176 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.278 -0.276 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.436 -0.733 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.189 -1.700 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.463 0.721 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.044 -0.660 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.611 0.993 -4.459 1.00 0.00 H new ATOM 1044 N SER A 71 3.593 0.655 -6.144 1.00 0.00 N ATOM 1045 CA SER A 71 4.862 0.689 -6.862 1.00 0.00 C ATOM 1046 C SER A 71 5.569 2.025 -6.653 1.00 0.00 C ATOM 1047 O SER A 71 5.021 2.942 -6.040 1.00 0.00 O ATOM 1048 CB SER A 71 4.634 0.449 -8.356 1.00 0.00 C ATOM 1049 OG SER A 71 5.626 1.095 -9.134 1.00 0.00 O ATOM 0 H SER A 71 3.208 1.574 -5.924 1.00 0.00 H new ATOM 0 HA SER A 71 5.496 -0.104 -6.466 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.646 -0.621 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.648 0.817 -8.640 1.00 0.00 H new ATOM 0 HG SER A 71 5.350 1.103 -10.074 1.00 0.00 H new ATOM 1055 N VAL A 72 6.790 2.128 -7.167 1.00 0.00 N ATOM 1056 CA VAL A 72 7.574 3.351 -7.038 1.00 0.00 C ATOM 1057 C VAL A 72 8.448 3.575 -8.267 1.00 0.00 C ATOM 1058 O VAL A 72 9.435 2.872 -8.475 1.00 0.00 O ATOM 1059 CB VAL A 72 8.468 3.315 -5.785 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.316 4.575 -5.698 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.622 3.145 -4.532 1.00 0.00 C ATOM 0 H VAL A 72 7.258 1.379 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 72 6.865 4.174 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 72 9.138 2.459 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.941 4.532 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.949 4.649 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.666 5.448 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.270 3.122 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.926 3.980 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.063 2.212 -4.595 1.00 0.00 H new ATOM 1071 N ASN A 73 8.078 4.562 -9.077 1.00 0.00 N ATOM 1072 CA ASN A 73 8.829 4.880 -10.286 1.00 0.00 C ATOM 1073 C ASN A 73 8.806 3.709 -11.265 1.00 0.00 C ATOM 1074 O ASN A 73 9.847 3.284 -11.763 1.00 0.00 O ATOM 1075 CB ASN A 73 10.274 5.237 -9.935 1.00 0.00 C ATOM 1076 CG ASN A 73 10.456 6.719 -9.672 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.492 7.436 -9.402 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.697 7.186 -9.750 1.00 0.00 N ATOM 0 H ASN A 73 7.263 5.155 -8.918 1.00 0.00 H new ATOM 0 HA ASN A 73 8.355 5.738 -10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.580 4.674 -9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.929 4.933 -10.751 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.881 8.175 -9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.466 6.555 -9.977 1.00 0.00 H new ATOM 1085 N GLU A 74 7.610 3.194 -11.534 1.00 0.00 N ATOM 1086 CA GLU A 74 7.452 2.072 -12.453 1.00 0.00 C ATOM 1087 C GLU A 74 8.162 0.830 -11.922 1.00 0.00 C ATOM 1088 O GLU A 74 8.949 0.201 -12.630 1.00 0.00 O ATOM 1089 CB GLU A 74 8.000 2.435 -13.834 1.00 0.00 C ATOM 1090 CG GLU A 74 6.991 3.144 -14.722 1.00 0.00 C ATOM 1091 CD GLU A 74 7.438 3.218 -16.169 1.00 0.00 C ATOM 1092 OE1 GLU A 74 8.276 4.087 -16.487 1.00 0.00 O ATOM 1093 OE2 GLU A 74 6.949 2.407 -16.984 1.00 0.00 O ATOM 0 H GLU A 74 6.738 3.535 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 74 6.388 1.852 -12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.875 3.073 -13.712 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.335 1.526 -14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.035 2.623 -14.667 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.826 4.153 -14.344 1.00 0.00 H new ATOM 1100 N TYR A 75 7.880 0.484 -10.671 1.00 0.00 N ATOM 1101 CA TYR A 75 8.493 -0.681 -10.043 1.00 0.00 C ATOM 1102 C TYR A 75 7.444 -1.534 -9.336 1.00 0.00 C ATOM 1103 O TYR A 75 6.947 -1.168 -8.270 1.00 0.00 O ATOM 1104 CB TYR A 75 9.567 -0.243 -9.047 1.00 0.00 C ATOM 1105 CG TYR A 75 10.929 -0.043 -9.674 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.839 -1.090 -9.755 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.306 1.194 -10.184 1.00 0.00 C ATOM 1108 CE1 TYR A 75 13.084 -0.911 -10.326 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.548 1.381 -10.758 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.434 0.326 -10.826 1.00 0.00 C ATOM 1111 OH TYR A 75 14.673 0.508 -11.396 1.00 0.00 O ATOM 0 H TYR A 75 7.231 0.993 -10.071 1.00 0.00 H new ATOM 0 HA TYR A 75 8.956 -1.282 -10.825 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.254 0.688 -8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.646 -0.991 -8.258 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.568 -2.060 -9.365 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.616 2.023 -10.130 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.780 -1.735 -10.381 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.824 2.348 -11.152 1.00 0.00 H new ATOM 0 HH TYR A 75 14.761 1.436 -11.699 1.00 0.00 H new ATOM 1121 N CYS A 76 7.114 -2.672 -9.935 1.00 0.00 N ATOM 1122 CA CYS A 76 6.124 -3.578 -9.364 1.00 0.00 C ATOM 1123 C CYS A 76 6.598 -4.122 -8.020 1.00 0.00 C ATOM 1124 O CYS A 76 7.377 -5.075 -7.963 1.00 0.00 O ATOM 1125 CB CYS A 76 5.845 -4.734 -10.326 1.00 0.00 C ATOM 1126 SG CYS A 76 4.939 -4.253 -11.814 1.00 0.00 S ATOM 0 H CYS A 76 7.517 -2.990 -10.816 1.00 0.00 H new ATOM 0 HA CYS A 76 5.203 -3.017 -9.205 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.793 -5.184 -10.620 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.277 -5.501 -9.800 1.00 0.00 H new ATOM 0 HG CYS A 76 4.753 -5.297 -12.566 1.00 0.00 H new ATOM 1132 N LEU A 77 6.123 -3.511 -6.940 1.00 0.00 N ATOM 1133 CA LEU A 77 6.499 -3.932 -5.595 1.00 0.00 C ATOM 1134 C LEU A 77 5.538 -4.994 -5.069 1.00 0.00 C ATOM 1135 O LEU A 77 5.581 -5.356 -3.893 1.00 0.00 O ATOM 1136 CB LEU A 77 6.517 -2.731 -4.649 1.00 0.00 C ATOM 1137 CG LEU A 77 7.478 -1.600 -5.019 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.541 -0.567 -3.904 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.864 -2.153 -5.314 1.00 0.00 C ATOM 0 H LEU A 77 5.477 -2.722 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 77 7.499 -4.364 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.508 -2.321 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.771 -3.085 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 77 7.104 -1.111 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.230 0.230 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.548 -0.148 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.890 -1.042 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.534 -1.334 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.246 -2.667 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.806 -2.854 -6.146 1.00 0.00 H new ATOM 1151 N ASP A 78 4.674 -5.490 -5.947 1.00 0.00 N ATOM 1152 CA ASP A 78 3.704 -6.512 -5.572 1.00 0.00 C ATOM 1153 C ASP A 78 4.406 -7.758 -5.040 1.00 0.00 C ATOM 1154 O ASP A 78 5.426 -8.185 -5.578 1.00 0.00 O ATOM 1155 CB ASP A 78 2.829 -6.879 -6.772 1.00 0.00 C ATOM 1156 CG ASP A 78 1.437 -7.318 -6.360 1.00 0.00 C ATOM 1157 OD1 ASP A 78 0.706 -6.496 -5.769 1.00 0.00 O ATOM 1158 OD2 ASP A 78 1.080 -8.485 -6.627 1.00 0.00 O ATOM 0 H ASP A 78 4.625 -5.201 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 78 3.073 -6.106 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.754 -6.020 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.308 -7.680 -7.336 1.00 0.00 H new ATOM 1163 N ASN A 79 3.853 -8.334 -3.978 1.00 0.00 N ATOM 1164 CA ASN A 79 4.427 -9.529 -3.371 1.00 0.00 C ATOM 1165 C ASN A 79 5.951 -9.463 -3.374 1.00 0.00 C ATOM 1166 O ASN A 79 6.626 -10.423 -3.748 1.00 0.00 O ATOM 1167 CB ASN A 79 3.959 -10.781 -4.117 1.00 0.00 C ATOM 1168 CG ASN A 79 2.470 -11.025 -3.958 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.012 -11.467 -2.904 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.708 -10.737 -5.007 1.00 0.00 N ATOM 0 H ASN A 79 3.008 -7.993 -3.520 1.00 0.00 H new ATOM 0 HA ASN A 79 4.085 -9.580 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.197 -10.680 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.508 -11.647 -3.748 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.699 -10.880 -4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.132 -10.373 -5.860 1.00 0.00 H new ATOM 1177 N THR A 80 6.489 -8.322 -2.955 1.00 0.00 N ATOM 1178 CA THR A 80 7.933 -8.128 -2.910 1.00 0.00 C ATOM 1179 C THR A 80 8.458 -8.238 -1.483 1.00 0.00 C ATOM 1180 O THR A 80 7.724 -8.012 -0.522 1.00 0.00 O ATOM 1181 CB THR A 80 8.335 -6.759 -3.488 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.754 -6.585 -4.785 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.848 -6.635 -3.585 1.00 0.00 C ATOM 0 H THR A 80 5.946 -7.518 -2.642 1.00 0.00 H new ATOM 0 HA THR A 80 8.376 -8.915 -3.520 1.00 0.00 H new ATOM 0 HB THR A 80 7.965 -5.984 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.055 -7.258 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.107 -5.659 -3.996 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.286 -6.739 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.236 -7.418 -4.236 1.00 0.00 H new ATOM 1191 N SER A 81 9.735 -8.587 -1.352 1.00 0.00 N ATOM 1192 CA SER A 81 10.357 -8.730 -0.041 1.00 0.00 C ATOM 1193 C SER A 81 10.909 -7.393 0.446 1.00 0.00 C ATOM 1194 O SER A 81 11.564 -6.667 -0.303 1.00 0.00 O ATOM 1195 CB SER A 81 11.479 -9.768 -0.097 1.00 0.00 C ATOM 1196 OG SER A 81 10.988 -11.027 -0.523 1.00 0.00 O ATOM 0 H SER A 81 10.358 -8.776 -2.137 1.00 0.00 H new ATOM 0 HA SER A 81 9.595 -9.067 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.259 -9.429 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.937 -9.867 0.887 1.00 0.00 H new ATOM 0 HG SER A 81 11.725 -11.673 -0.552 1.00 0.00 H new ATOM 1202 N LEU A 82 10.641 -7.075 1.708 1.00 0.00 N ATOM 1203 CA LEU A 82 11.110 -5.826 2.298 1.00 0.00 C ATOM 1204 C LEU A 82 12.476 -5.439 1.740 1.00 0.00 C ATOM 1205 O LEU A 82 12.686 -4.303 1.318 1.00 0.00 O ATOM 1206 CB LEU A 82 11.186 -5.955 3.820 1.00 0.00 C ATOM 1207 CG LEU A 82 11.892 -4.816 4.556 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.227 -3.485 4.243 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.897 -5.072 6.056 1.00 0.00 C ATOM 0 H LEU A 82 10.102 -7.665 2.342 1.00 0.00 H new ATOM 0 HA LEU A 82 10.398 -5.042 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.171 -6.038 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.696 -6.888 4.060 1.00 0.00 H new ATOM 0 HG LEU A 82 12.925 -4.772 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.743 -2.686 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.276 -3.297 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.184 -3.516 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.404 -4.251 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.871 -5.143 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.420 -6.005 6.264 1.00 0.00 H new ATOM 1221 N ALA A 83 13.401 -6.394 1.740 1.00 0.00 N ATOM 1222 CA ALA A 83 14.745 -6.154 1.230 1.00 0.00 C ATOM 1223 C ALA A 83 14.702 -5.565 -0.176 1.00 0.00 C ATOM 1224 O ALA A 83 15.364 -4.567 -0.460 1.00 0.00 O ATOM 1225 CB ALA A 83 15.551 -7.445 1.239 1.00 0.00 C ATOM 0 H ALA A 83 13.244 -7.340 2.087 1.00 0.00 H new ATOM 0 HA ALA A 83 15.231 -5.430 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.553 -7.251 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.620 -7.824 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.058 -8.186 0.609 1.00 0.00 H new ATOM 1231 N GLU A 84 13.921 -6.190 -1.051 1.00 0.00 N ATOM 1232 CA GLU A 84 13.794 -5.727 -2.428 1.00 0.00 C ATOM 1233 C GLU A 84 13.142 -4.349 -2.480 1.00 0.00 C ATOM 1234 O GLU A 84 13.595 -3.463 -3.204 1.00 0.00 O ATOM 1235 CB GLU A 84 12.974 -6.723 -3.251 1.00 0.00 C ATOM 1236 CG GLU A 84 13.815 -7.801 -3.915 1.00 0.00 C ATOM 1237 CD GLU A 84 13.150 -8.382 -5.148 1.00 0.00 C ATOM 1238 OE1 GLU A 84 11.928 -8.632 -5.101 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.853 -8.586 -6.159 1.00 0.00 O ATOM 0 H GLU A 84 13.367 -7.018 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 84 14.795 -5.653 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.237 -7.197 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.422 -6.180 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.783 -7.383 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.006 -8.600 -3.199 1.00 0.00 H new ATOM 1246 N ALA A 85 12.074 -4.176 -1.708 1.00 0.00 N ATOM 1247 CA ALA A 85 11.359 -2.906 -1.665 1.00 0.00 C ATOM 1248 C ALA A 85 12.293 -1.764 -1.279 1.00 0.00 C ATOM 1249 O ALA A 85 12.372 -0.751 -1.974 1.00 0.00 O ATOM 1250 CB ALA A 85 10.193 -2.990 -0.692 1.00 0.00 C ATOM 0 H ALA A 85 11.685 -4.900 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 85 10.970 -2.701 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.668 -2.035 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.507 -3.774 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.567 -3.221 0.305 1.00 0.00 H new ATOM 1256 N VAL A 86 12.998 -1.933 -0.165 1.00 0.00 N ATOM 1257 CA VAL A 86 13.926 -0.916 0.314 1.00 0.00 C ATOM 1258 C VAL A 86 14.994 -0.611 -0.731 1.00 0.00 C ATOM 1259 O VAL A 86 15.300 0.551 -0.997 1.00 0.00 O ATOM 1260 CB VAL A 86 14.614 -1.355 1.621 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.571 -0.278 2.109 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.576 -1.679 2.685 1.00 0.00 C ATOM 0 H VAL A 86 12.944 -2.765 0.423 1.00 0.00 H new ATOM 0 HA VAL A 86 13.340 -0.017 0.504 1.00 0.00 H new ATOM 0 HB VAL A 86 15.192 -2.257 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.047 -0.606 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.334 -0.099 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.019 0.643 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.079 -1.987 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.970 -0.795 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.935 -2.487 2.333 1.00 0.00 H new ATOM 1272 N GLU A 87 15.556 -1.662 -1.319 1.00 0.00 N ATOM 1273 CA GLU A 87 16.590 -1.505 -2.335 1.00 0.00 C ATOM 1274 C GLU A 87 16.070 -0.696 -3.520 1.00 0.00 C ATOM 1275 O GLU A 87 16.798 0.110 -4.101 1.00 0.00 O ATOM 1276 CB GLU A 87 17.078 -2.874 -2.813 1.00 0.00 C ATOM 1277 CG GLU A 87 18.185 -3.460 -1.954 1.00 0.00 C ATOM 1278 CD GLU A 87 19.394 -2.549 -1.859 1.00 0.00 C ATOM 1279 OE1 GLU A 87 20.297 -2.672 -2.712 1.00 0.00 O ATOM 1280 OE2 GLU A 87 19.437 -1.714 -0.931 1.00 0.00 O ATOM 0 H GLU A 87 15.313 -2.630 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 87 17.425 -0.966 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.236 -3.566 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.435 -2.785 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.800 -3.652 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.491 -4.421 -2.368 1.00 0.00 H new ATOM 1287 N ILE A 88 14.808 -0.917 -3.872 1.00 0.00 N ATOM 1288 CA ILE A 88 14.191 -0.209 -4.986 1.00 0.00 C ATOM 1289 C ILE A 88 14.066 1.282 -4.688 1.00 0.00 C ATOM 1290 O ILE A 88 14.375 2.123 -5.533 1.00 0.00 O ATOM 1291 CB ILE A 88 12.796 -0.775 -5.310 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.921 -2.141 -5.987 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.024 0.193 -6.194 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.755 -3.063 -5.707 1.00 0.00 C ATOM 0 H ILE A 88 14.193 -1.581 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 88 14.841 -0.352 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 88 12.246 -0.902 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.009 -1.997 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.841 -2.620 -5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.040 -0.221 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.909 1.146 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.569 0.349 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.911 -4.013 -6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.678 -3.237 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.834 -2.604 -6.067 1.00 0.00 H new ATOM 1306 N LEU A 89 13.612 1.602 -3.482 1.00 0.00 N ATOM 1307 CA LEU A 89 13.448 2.992 -3.070 1.00 0.00 C ATOM 1308 C LEU A 89 14.802 3.674 -2.901 1.00 0.00 C ATOM 1309 O LEU A 89 14.904 4.899 -2.958 1.00 0.00 O ATOM 1310 CB LEU A 89 12.660 3.067 -1.761 1.00 0.00 C ATOM 1311 CG LEU A 89 11.139 3.160 -1.898 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.467 2.911 -0.557 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.735 4.516 -2.456 1.00 0.00 C ATOM 0 H LEU A 89 13.351 0.918 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 89 12.894 3.513 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.898 2.185 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.008 3.934 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 89 10.808 2.390 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.386 2.981 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.730 1.916 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.804 3.657 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.650 4.564 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.078 5.303 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.187 4.655 -3.438 1.00 0.00 H new ATOM 1325 N LYS A 90 15.841 2.871 -2.696 1.00 0.00 N ATOM 1326 CA LYS A 90 17.191 3.396 -2.522 1.00 0.00 C ATOM 1327 C LYS A 90 17.885 3.566 -3.870 1.00 0.00 C ATOM 1328 O LYS A 90 18.617 4.532 -4.083 1.00 0.00 O ATOM 1329 CB LYS A 90 18.011 2.463 -1.628 1.00 0.00 C ATOM 1330 CG LYS A 90 17.655 2.564 -0.155 1.00 0.00 C ATOM 1331 CD LYS A 90 18.389 1.520 0.669 1.00 0.00 C ATOM 1332 CE LYS A 90 18.309 1.827 2.157 1.00 0.00 C ATOM 1333 NZ LYS A 90 19.343 2.814 2.575 1.00 0.00 N ATOM 0 H LYS A 90 15.774 1.854 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 90 17.117 4.373 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.864 1.435 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.070 2.691 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.903 3.560 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.580 2.437 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.961 0.536 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.434 1.480 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.319 2.215 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.435 0.906 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.256 2.997 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.289 2.433 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.207 3.702 2.051 1.00 0.00 H new ATOM 1347 N ALA A 91 17.650 2.623 -4.775 1.00 0.00 N ATOM 1348 CA ALA A 91 18.250 2.671 -6.103 1.00 0.00 C ATOM 1349 C ALA A 91 17.531 3.678 -6.994 1.00 0.00 C ATOM 1350 O ALA A 91 18.040 4.065 -8.046 1.00 0.00 O ATOM 1351 CB ALA A 91 18.232 1.290 -6.741 1.00 0.00 C ATOM 0 H ALA A 91 17.048 1.816 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 91 19.285 2.995 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.683 1.341 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.798 0.595 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.202 0.943 -6.828 1.00 0.00 H new ATOM 1357 N VAL A 92 16.345 4.098 -6.567 1.00 0.00 N ATOM 1358 CA VAL A 92 15.556 5.061 -7.326 1.00 0.00 C ATOM 1359 C VAL A 92 16.280 6.398 -7.439 1.00 0.00 C ATOM 1360 O VAL A 92 16.798 6.936 -6.461 1.00 0.00 O ATOM 1361 CB VAL A 92 14.176 5.290 -6.680 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.321 6.026 -5.358 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.265 6.054 -7.629 1.00 0.00 C ATOM 0 H VAL A 92 15.909 3.786 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 92 15.417 4.641 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 92 13.722 4.320 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.336 6.179 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.936 5.436 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.795 6.992 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.294 6.207 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.711 7.020 -7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.135 5.482 -8.548 1.00 0.00 H new ATOM 1373 N PRO A 93 16.316 6.949 -8.662 1.00 0.00 N ATOM 1374 CA PRO A 93 16.973 8.231 -8.932 1.00 0.00 C ATOM 1375 C PRO A 93 16.224 9.408 -8.317 1.00 0.00 C ATOM 1376 O PRO A 93 15.028 9.333 -8.032 1.00 0.00 O ATOM 1377 CB PRO A 93 16.953 8.325 -10.460 1.00 0.00 C ATOM 1378 CG PRO A 93 15.798 7.481 -10.876 1.00 0.00 C ATOM 1379 CD PRO A 93 15.719 6.363 -9.873 1.00 0.00 C ATOM 0 HA PRO A 93 17.973 8.274 -8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.830 9.356 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.885 7.961 -10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.875 8.061 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.942 7.092 -11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.689 6.049 -9.702 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.269 5.484 -10.207 1.00 0.00 H new ATOM 1387 N PRO A 94 16.940 10.522 -8.106 1.00 0.00 N ATOM 1388 CA PRO A 94 16.362 11.737 -7.523 1.00 0.00 C ATOM 1389 C PRO A 94 15.386 12.426 -8.470 1.00 0.00 C ATOM 1390 O PRO A 94 15.264 12.048 -9.634 1.00 0.00 O ATOM 1391 CB PRO A 94 17.583 12.626 -7.274 1.00 0.00 C ATOM 1392 CG PRO A 94 18.599 12.159 -8.258 1.00 0.00 C ATOM 1393 CD PRO A 94 18.370 10.682 -8.422 1.00 0.00 C ATOM 0 HA PRO A 94 15.783 11.523 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.343 13.679 -7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.946 12.523 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.488 12.679 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.609 12.360 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.597 10.350 -9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.998 10.100 -7.747 1.00 0.00 H new ATOM 1401 N GLY A 95 14.692 13.440 -7.962 1.00 0.00 N ATOM 1402 CA GLY A 95 13.735 14.166 -8.776 1.00 0.00 C ATOM 1403 C GLY A 95 12.311 13.695 -8.557 1.00 0.00 C ATOM 1404 O GLY A 95 12.012 13.043 -7.555 1.00 0.00 O ATOM 0 H GLY A 95 14.776 13.772 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.802 15.230 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.995 14.049 -9.828 1.00 0.00 H new ATOM 1408 N LEU A 96 11.429 14.026 -9.493 1.00 0.00 N ATOM 1409 CA LEU A 96 10.027 13.634 -9.397 1.00 0.00 C ATOM 1410 C LEU A 96 9.896 12.132 -9.163 1.00 0.00 C ATOM 1411 O LEU A 96 10.511 11.328 -9.864 1.00 0.00 O ATOM 1412 CB LEU A 96 9.277 14.031 -10.670 1.00 0.00 C ATOM 1413 CG LEU A 96 7.755 14.116 -10.553 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.139 12.726 -10.574 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.358 14.858 -9.285 1.00 0.00 C ATOM 0 H LEU A 96 11.660 14.565 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 96 9.587 14.155 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.651 15.000 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.522 13.311 -11.451 1.00 0.00 H new ATOM 0 HG LEU A 96 7.375 14.672 -11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.055 12.807 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.394 12.229 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.526 12.144 -9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.271 14.909 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.750 14.330 -8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.768 15.868 -9.311 1.00 0.00 H new ATOM 1427 N VAL A 97 9.089 11.760 -8.174 1.00 0.00 N ATOM 1428 CA VAL A 97 8.875 10.355 -7.850 1.00 0.00 C ATOM 1429 C VAL A 97 7.401 9.984 -7.963 1.00 0.00 C ATOM 1430 O VAL A 97 6.592 10.340 -7.105 1.00 0.00 O ATOM 1431 CB VAL A 97 9.369 10.025 -6.429 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.080 8.571 -6.087 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.854 10.327 -6.298 1.00 0.00 C ATOM 0 H VAL A 97 8.573 12.412 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 97 9.450 9.773 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 97 8.830 10.654 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.436 8.357 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.006 8.392 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.591 7.922 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.186 10.088 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.412 9.725 -7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.029 11.384 -6.497 1.00 0.00 H new ATOM 1443 N HIS A 98 7.056 9.265 -9.027 1.00 0.00 N ATOM 1444 CA HIS A 98 5.678 8.844 -9.252 1.00 0.00 C ATOM 1445 C HIS A 98 5.432 7.456 -8.668 1.00 0.00 C ATOM 1446 O HIS A 98 5.863 6.449 -9.231 1.00 0.00 O ATOM 1447 CB HIS A 98 5.360 8.845 -10.747 1.00 0.00 C ATOM 1448 CG HIS A 98 5.041 10.204 -11.291 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.665 10.736 -12.399 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.157 11.139 -10.873 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.179 11.941 -12.639 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.262 12.209 -11.728 1.00 0.00 N ATOM 0 H HIS A 98 7.712 8.962 -9.747 1.00 0.00 H new ATOM 0 HA HIS A 98 5.021 9.553 -8.748 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.211 8.435 -11.291 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.515 8.182 -10.931 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.493 11.059 -10.025 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.481 12.595 -13.444 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.719 13.071 -11.669 1.00 0.00 H new ATOM 1461 N LEU A 99 4.738 7.410 -7.536 1.00 0.00 N ATOM 1462 CA LEU A 99 4.435 6.146 -6.875 1.00 0.00 C ATOM 1463 C LEU A 99 2.955 6.059 -6.518 1.00 0.00 C ATOM 1464 O LEU A 99 2.334 7.057 -6.154 1.00 0.00 O ATOM 1465 CB LEU A 99 5.286 5.990 -5.613 1.00 0.00 C ATOM 1466 CG LEU A 99 5.305 7.189 -4.665 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.158 7.101 -3.670 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.639 7.273 -3.937 1.00 0.00 C ATOM 0 H LEU A 99 4.375 8.234 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 99 4.671 5.337 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.926 5.122 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.311 5.774 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 99 5.178 8.096 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.188 7.963 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.210 7.091 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.253 6.186 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.634 8.132 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.796 6.363 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.444 7.384 -4.664 1.00 0.00 H new ATOM 1480 N GLY A 100 2.395 4.857 -6.622 1.00 0.00 N ATOM 1481 CA GLY A 100 0.993 4.662 -6.305 1.00 0.00 C ATOM 1482 C GLY A 100 0.778 4.238 -4.865 1.00 0.00 C ATOM 1483 O GLY A 100 1.608 3.536 -4.288 1.00 0.00 O ATOM 0 H GLY A 100 2.888 4.015 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.449 5.588 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.575 3.906 -6.970 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.338 4.666 -4.284 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.658 4.327 -2.903 1.00 0.00 C ATOM 1489 C ILE A 101 -2.069 3.759 -2.790 1.00 0.00 C ATOM 1490 O ILE A 101 -2.895 3.938 -3.686 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.534 5.552 -1.979 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.761 6.311 -2.273 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.584 5.123 -0.521 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.008 5.560 -1.861 1.00 0.00 C ATOM 0 H ILE A 101 -1.035 5.248 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 101 0.062 3.571 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.375 6.219 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.812 6.526 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.736 7.270 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.495 6.000 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.531 4.622 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.239 4.438 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.888 6.158 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.979 5.368 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.056 4.613 -2.398 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.338 3.076 -1.683 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.651 2.483 -1.451 1.00 0.00 C ATOM 1508 C CYS A 102 -4.200 2.893 -0.089 1.00 0.00 C ATOM 1509 O CYS A 102 -3.785 2.366 0.943 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.567 0.958 -1.544 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.002 0.346 -3.148 1.00 0.00 S ATOM 0 H CYS A 102 -1.665 2.919 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.330 2.850 -2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.891 0.594 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.550 0.537 -1.332 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.962 -0.953 -3.127 1.00 0.00 H new ATOM 1517 N SER A 103 -5.135 3.837 -0.093 1.00 0.00 N ATOM 1518 CA SER A 103 -5.737 4.323 1.143 1.00 0.00 C ATOM 1519 C SER A 103 -6.053 3.164 2.084 1.00 0.00 C ATOM 1520 O SER A 103 -7.023 2.435 1.885 1.00 0.00 O ATOM 1521 CB SER A 103 -7.013 5.110 0.838 1.00 0.00 C ATOM 1522 OG SER A 103 -7.761 5.346 2.019 1.00 0.00 O ATOM 0 H SER A 103 -5.492 4.281 -0.939 1.00 0.00 H new ATOM 0 HA SER A 103 -5.021 4.982 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.755 6.061 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.622 4.558 0.122 1.00 0.00 H new ATOM 0 HG SER A 103 -8.571 5.852 1.798 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.224 3.002 3.112 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.431 1.932 4.069 1.00 0.00 C ATOM 1530 C GLY A 104 -5.732 2.450 5.462 1.00 0.00 C ATOM 1531 O GLY A 104 -6.201 3.574 5.641 1.00 0.00 O ATOM 0 H GLY A 104 -4.414 3.593 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.255 1.302 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.542 1.302 4.103 1.00 0.00 H new ATOM 1535 N PRO A 105 -5.461 1.617 6.478 1.00 0.00 N ATOM 1536 CA PRO A 105 -5.699 1.975 7.880 1.00 0.00 C ATOM 1537 C PRO A 105 -4.738 3.050 8.375 1.00 0.00 C ATOM 1538 O PRO A 105 -3.636 2.748 8.833 1.00 0.00 O ATOM 1539 CB PRO A 105 -5.462 0.661 8.627 1.00 0.00 C ATOM 1540 CG PRO A 105 -4.542 -0.114 7.748 1.00 0.00 C ATOM 1541 CD PRO A 105 -4.901 0.263 6.338 1.00 0.00 C ATOM 0 HA PRO A 105 -6.694 2.393 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.018 0.837 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.397 0.125 8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.501 0.127 7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.660 -1.186 7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.028 0.255 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.626 -0.429 5.909 1.00 0.00 H new ATOM 1549 N SER A 106 -5.162 4.306 8.279 1.00 0.00 N ATOM 1550 CA SER A 106 -4.336 5.427 8.715 1.00 0.00 C ATOM 1551 C SER A 106 -5.071 6.272 9.752 1.00 0.00 C ATOM 1552 O SER A 106 -6.300 6.340 9.755 1.00 0.00 O ATOM 1553 CB SER A 106 -3.945 6.295 7.517 1.00 0.00 C ATOM 1554 OG SER A 106 -5.069 6.986 6.999 1.00 0.00 O ATOM 0 H SER A 106 -6.072 4.573 7.904 1.00 0.00 H new ATOM 0 HA SER A 106 -3.433 5.025 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.180 7.011 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.508 5.670 6.738 1.00 0.00 H new ATOM 0 HG SER A 106 -4.792 7.535 6.236 1.00 0.00 H new ATOM 1560 N SER A 107 -4.307 6.913 10.631 1.00 0.00 N ATOM 1561 CA SER A 107 -4.884 7.751 11.676 1.00 0.00 C ATOM 1562 C SER A 107 -4.640 9.229 11.384 1.00 0.00 C ATOM 1563 O SER A 107 -4.033 9.581 10.374 1.00 0.00 O ATOM 1564 CB SER A 107 -4.292 7.384 13.038 1.00 0.00 C ATOM 1565 OG SER A 107 -4.648 6.064 13.410 1.00 0.00 O ATOM 0 H SER A 107 -3.288 6.868 10.640 1.00 0.00 H new ATOM 0 HA SER A 107 -5.960 7.575 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.206 7.475 13.003 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.646 8.086 13.793 1.00 0.00 H new ATOM 0 HG SER A 107 -4.256 5.853 14.283 1.00 0.00 H new ATOM 1571 N GLY A 108 -5.119 10.089 12.278 1.00 0.00 N ATOM 1572 CA GLY A 108 -4.943 11.518 12.099 1.00 0.00 C ATOM 1573 C GLY A 108 -6.234 12.289 12.295 1.00 0.00 C ATOM 1574 O GLY A 108 -7.001 12.006 13.215 1.00 0.00 O ATOM 0 H GLY A 108 -5.625 9.822 13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.196 11.880 12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.556 11.711 11.098 1.00 0.00 H new TER 1578 GLY A 108