USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 475 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 29 GLN : amide:sc= 0.922 K(o=0.92,f=-0.14) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -124:sc= 1.27 (180deg=0.911) USER MOD Single : A 32 CYS SG : rot -160:sc= -6.26! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.558 K(o=0.56,f=-3.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 44 SER OG : rot -38:sc= 0.567 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.124 X(o=0.12,f=-0.36) USER MOD Single : A 68 GLN : amide:sc= 0.816 K(o=0.82,f=-7.3!) USER MOD Single : A 71 MET CE :methyl -179:sc= 0 (180deg=-0.00438) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= -0.498 (180deg=-2.96!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.126 3.267 -1.629 1.00 0.00 N ATOM 20 CA ASP A 23 -12.018 1.978 -2.279 1.00 0.00 C ATOM 21 C ASP A 23 -10.539 1.614 -2.339 1.00 0.00 C ATOM 22 O ASP A 23 -9.790 2.069 -3.203 1.00 0.00 O ATOM 23 CB ASP A 23 -12.634 2.084 -3.674 1.00 0.00 C ATOM 24 CG ASP A 23 -14.128 2.328 -3.573 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.831 1.374 -3.185 1.00 0.00 O ATOM 26 OD2 ASP A 23 -14.518 3.492 -3.806 1.00 0.00 O ATOM 0 HA ASP A 23 -12.551 1.198 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.162 2.897 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.445 1.167 -4.233 1.00 0.00 H new ATOM 31 N ALA A 24 -10.133 0.797 -1.366 1.00 0.00 N ATOM 32 CA ALA A 24 -8.748 0.474 -1.095 1.00 0.00 C ATOM 33 C ALA A 24 -8.043 -0.029 -2.345 1.00 0.00 C ATOM 34 O ALA A 24 -6.986 0.477 -2.727 1.00 0.00 O ATOM 35 CB ALA A 24 -8.686 -0.593 -0.014 1.00 0.00 C ATOM 0 H ALA A 24 -10.784 0.333 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.242 1.380 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.645 -0.840 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.159 -0.219 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.210 -1.486 -0.354 1.00 0.00 H new ATOM 41 N GLU A 25 -8.636 -1.040 -2.981 1.00 0.00 N ATOM 42 CA GLU A 25 -8.041 -1.579 -4.179 1.00 0.00 C ATOM 43 C GLU A 25 -8.009 -0.505 -5.256 1.00 0.00 C ATOM 44 O GLU A 25 -6.980 -0.358 -5.886 1.00 0.00 O ATOM 45 CB GLU A 25 -8.673 -2.905 -4.613 1.00 0.00 C ATOM 46 CG GLU A 25 -9.759 -2.752 -5.670 1.00 0.00 C ATOM 47 CD GLU A 25 -10.346 -4.113 -6.007 1.00 0.00 C ATOM 48 OE1 GLU A 25 -11.268 -4.523 -5.271 1.00 0.00 O ATOM 49 OE2 GLU A 25 -9.830 -4.727 -6.963 1.00 0.00 O ATOM 0 H GLU A 25 -9.506 -1.485 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.007 -1.854 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.892 -3.559 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.097 -3.398 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.543 -2.088 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.344 -2.293 -6.567 1.00 0.00 H new ATOM 56 N ALA A 26 -9.079 0.273 -5.454 1.00 0.00 N ATOM 57 CA ALA A 26 -9.121 1.282 -6.509 1.00 0.00 C ATOM 58 C ALA A 26 -7.976 2.282 -6.360 1.00 0.00 C ATOM 59 O ALA A 26 -7.253 2.531 -7.323 1.00 0.00 O ATOM 60 CB ALA A 26 -10.464 2.008 -6.524 1.00 0.00 C ATOM 0 H ALA A 26 -9.929 0.220 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.002 0.766 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.466 2.753 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.264 1.289 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.622 2.501 -5.565 1.00 0.00 H new ATOM 66 N VAL A 27 -7.797 2.826 -5.149 1.00 0.00 N ATOM 67 CA VAL A 27 -6.596 3.577 -4.793 1.00 0.00 C ATOM 68 C VAL A 27 -5.398 2.773 -5.260 1.00 0.00 C ATOM 69 O VAL A 27 -4.654 3.250 -6.108 1.00 0.00 O ATOM 70 CB VAL A 27 -6.566 3.871 -3.278 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.241 4.494 -2.807 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.699 4.831 -2.900 1.00 0.00 C ATOM 0 H VAL A 27 -8.480 2.756 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.581 4.551 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.684 2.906 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.286 4.676 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.420 3.811 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.077 5.437 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.666 5.029 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.580 5.767 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.658 4.381 -3.156 1.00 0.00 H new ATOM 82 N VAL A 28 -5.170 1.563 -4.756 1.00 0.00 N ATOM 83 CA VAL A 28 -3.843 1.013 -4.900 1.00 0.00 C ATOM 84 C VAL A 28 -3.548 0.629 -6.361 1.00 0.00 C ATOM 85 O VAL A 28 -2.446 0.871 -6.864 1.00 0.00 O ATOM 86 CB VAL A 28 -3.698 -0.040 -3.802 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.408 -0.860 -3.894 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.783 0.686 -2.440 1.00 0.00 C ATOM 0 H VAL A 28 -5.851 0.978 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.035 1.725 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.503 -0.765 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.379 -1.585 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.378 -1.384 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.548 -0.195 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.683 -0.040 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.981 1.421 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.746 1.191 -2.356 1.00 0.00 H new ATOM 98 N GLN A 29 -4.601 0.197 -7.061 1.00 0.00 N ATOM 99 CA GLN A 29 -4.742 -0.058 -8.489 1.00 0.00 C ATOM 100 C GLN A 29 -4.565 1.201 -9.352 1.00 0.00 C ATOM 101 O GLN A 29 -4.622 1.099 -10.574 1.00 0.00 O ATOM 102 CB GLN A 29 -6.108 -0.740 -8.740 1.00 0.00 C ATOM 103 CG GLN A 29 -6.150 -2.191 -8.237 1.00 0.00 C ATOM 104 CD GLN A 29 -5.164 -3.070 -9.001 1.00 0.00 C ATOM 105 OE1 GLN A 29 -5.329 -3.309 -10.192 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.111 -3.524 -8.330 1.00 0.00 N ATOM 0 H GLN A 29 -5.476 -0.005 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.935 -0.723 -8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.892 -0.166 -8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.326 -0.724 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.915 -2.217 -7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.159 -2.589 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.005 -3.306 -7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.409 -4.090 -8.806 1.00 0.00 H new ATOM 115 N GLN A 30 -4.324 2.377 -8.759 1.00 0.00 N ATOM 116 CA GLN A 30 -3.999 3.594 -9.503 1.00 0.00 C ATOM 117 C GLN A 30 -2.894 4.459 -8.871 1.00 0.00 C ATOM 118 O GLN A 30 -2.265 5.253 -9.567 1.00 0.00 O ATOM 119 CB GLN A 30 -5.290 4.394 -9.750 1.00 0.00 C ATOM 120 CG GLN A 30 -5.454 4.632 -11.258 1.00 0.00 C ATOM 121 CD GLN A 30 -6.794 5.268 -11.603 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.708 4.598 -12.070 1.00 0.00 O ATOM 123 NE2 GLN A 30 -6.924 6.575 -11.395 1.00 0.00 N ATOM 0 H GLN A 30 -4.350 2.509 -7.748 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.569 3.280 -10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.150 3.850 -9.360 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.249 5.346 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.648 5.275 -11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.359 3.683 -11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.147 7.109 -11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.800 7.043 -11.625 1.00 0.00 H new ATOM 132 N LYS A 31 -2.659 4.332 -7.565 1.00 0.00 N ATOM 133 CA LYS A 31 -1.783 5.170 -6.763 1.00 0.00 C ATOM 134 C LYS A 31 -0.474 4.442 -6.448 1.00 0.00 C ATOM 135 O LYS A 31 0.523 5.107 -6.170 1.00 0.00 O ATOM 136 CB LYS A 31 -2.544 5.560 -5.483 1.00 0.00 C ATOM 137 CG LYS A 31 -3.479 6.761 -5.696 1.00 0.00 C ATOM 138 CD LYS A 31 -2.792 8.056 -5.239 1.00 0.00 C ATOM 139 CE LYS A 31 -3.772 9.236 -5.217 1.00 0.00 C ATOM 140 NZ LYS A 31 -3.251 10.361 -4.413 1.00 0.00 N ATOM 0 H LYS A 31 -3.102 3.599 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.510 6.072 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.127 4.707 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.828 5.797 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.751 6.837 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.404 6.615 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.370 7.914 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.962 8.284 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.960 9.573 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.728 8.908 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.938 10.605 -3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.350 10.085 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.098 11.186 -5.028 1.00 0.00 H new ATOM 154 N CYS A 32 -0.462 3.101 -6.472 1.00 0.00 N ATOM 155 CA CYS A 32 0.701 2.314 -6.072 1.00 0.00 C ATOM 156 C CYS A 32 1.246 1.482 -7.228 1.00 0.00 C ATOM 157 O CYS A 32 2.466 1.404 -7.391 1.00 0.00 O ATOM 158 CB CYS A 32 0.365 1.411 -4.890 1.00 0.00 C ATOM 159 SG CYS A 32 -0.846 2.134 -3.736 1.00 0.00 S ATOM 0 H CYS A 32 -1.259 2.538 -6.769 1.00 0.00 H new ATOM 0 HA CYS A 32 1.476 3.018 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.025 0.465 -5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.282 1.184 -4.346 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.764 1.531 -2.587 1.00 0.00 H new ATOM 164 N ILE A 33 0.362 0.885 -8.046 1.00 0.00 N ATOM 165 CA ILE A 33 0.784 0.085 -9.196 1.00 0.00 C ATOM 166 C ILE A 33 1.805 0.835 -10.053 1.00 0.00 C ATOM 167 O ILE A 33 2.687 0.214 -10.642 1.00 0.00 O ATOM 168 CB ILE A 33 -0.400 -0.385 -10.058 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.201 0.765 -10.696 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.304 -1.328 -9.257 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.054 0.279 -11.871 1.00 0.00 C ATOM 0 H ILE A 33 -0.649 0.945 -7.927 1.00 0.00 H new ATOM 0 HA ILE A 33 1.260 -0.807 -8.788 1.00 0.00 H new ATOM 0 HB ILE A 33 0.027 -0.934 -10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.844 1.221 -9.944 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.515 1.539 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.137 -1.651 -9.881 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.730 -2.198 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.689 -0.806 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.604 1.120 -12.294 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.408 -0.153 -12.635 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.758 -0.476 -11.522 1.00 0.00 H new ATOM 183 N SER A 34 1.686 2.168 -10.077 1.00 0.00 N ATOM 184 CA SER A 34 2.617 3.104 -10.683 1.00 0.00 C ATOM 185 C SER A 34 4.075 2.659 -10.503 1.00 0.00 C ATOM 186 O SER A 34 4.847 2.716 -11.458 1.00 0.00 O ATOM 187 CB SER A 34 2.359 4.499 -10.091 1.00 0.00 C ATOM 188 OG SER A 34 3.002 5.500 -10.855 1.00 0.00 O ATOM 0 H SER A 34 0.890 2.640 -9.648 1.00 0.00 H new ATOM 0 HA SER A 34 2.452 3.135 -11.760 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.287 4.692 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.719 4.534 -9.063 1.00 0.00 H new ATOM 0 HG SER A 34 2.822 6.379 -10.460 1.00 0.00 H new ATOM 194 N CYS A 35 4.439 2.193 -9.298 1.00 0.00 N ATOM 195 CA CYS A 35 5.763 1.645 -9.021 1.00 0.00 C ATOM 196 C CYS A 35 5.677 0.150 -8.692 1.00 0.00 C ATOM 197 O CYS A 35 6.481 -0.634 -9.188 1.00 0.00 O ATOM 198 CB CYS A 35 6.484 2.450 -7.927 1.00 0.00 C ATOM 199 SG CYS A 35 6.208 4.234 -8.172 1.00 0.00 S ATOM 0 H CYS A 35 3.816 2.189 -8.490 1.00 0.00 H new ATOM 0 HA CYS A 35 6.368 1.738 -9.923 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.119 2.150 -6.945 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.552 2.233 -7.950 1.00 0.00 H new ATOM 0 HG CYS A 35 6.821 4.900 -7.239 1.00 0.00 H new ATOM 204 N HIS A 36 4.715 -0.268 -7.867 1.00 0.00 N ATOM 205 CA HIS A 36 4.639 -1.646 -7.389 1.00 0.00 C ATOM 206 C HIS A 36 4.163 -2.647 -8.454 1.00 0.00 C ATOM 207 O HIS A 36 4.365 -3.851 -8.282 1.00 0.00 O ATOM 208 CB HIS A 36 3.801 -1.690 -6.106 1.00 0.00 C ATOM 209 CG HIS A 36 4.520 -1.094 -4.919 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.476 -1.734 -4.160 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.347 0.163 -4.394 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.854 -0.880 -3.195 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.200 0.290 -3.292 1.00 0.00 N ATOM 0 H HIS A 36 3.972 0.336 -7.515 1.00 0.00 H new ATOM 0 HA HIS A 36 5.651 -1.978 -7.158 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.867 -1.151 -6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.538 -2.724 -5.884 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.830 -2.680 -4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.672 0.920 -4.766 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.590 -1.105 -2.437 1.00 0.00 H new ATOM 221 N GLY A 37 3.592 -2.184 -9.570 1.00 0.00 N ATOM 222 CA GLY A 37 3.104 -3.036 -10.648 1.00 0.00 C ATOM 223 C GLY A 37 1.663 -3.482 -10.391 1.00 0.00 C ATOM 224 O GLY A 37 1.244 -3.559 -9.241 1.00 0.00 O ATOM 0 H GLY A 37 3.456 -1.189 -9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.157 -2.497 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.747 -3.911 -10.743 1.00 0.00 H new ATOM 228 N GLY A 38 0.911 -3.766 -11.464 1.00 0.00 N ATOM 229 CA GLY A 38 -0.519 -4.088 -11.454 1.00 0.00 C ATOM 230 C GLY A 38 -0.952 -4.951 -10.266 1.00 0.00 C ATOM 231 O GLY A 38 -1.744 -4.526 -9.427 1.00 0.00 O ATOM 0 H GLY A 38 1.304 -3.777 -12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.090 -3.160 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.771 -4.607 -12.379 1.00 0.00 H new ATOM 235 N ASP A 39 -0.423 -6.171 -10.197 1.00 0.00 N ATOM 236 CA ASP A 39 -0.751 -7.171 -9.191 1.00 0.00 C ATOM 237 C ASP A 39 -0.125 -6.862 -7.824 1.00 0.00 C ATOM 238 O ASP A 39 -0.417 -7.549 -6.841 1.00 0.00 O ATOM 239 CB ASP A 39 -0.265 -8.533 -9.706 1.00 0.00 C ATOM 240 CG ASP A 39 -0.805 -8.856 -11.091 1.00 0.00 C ATOM 241 OD1 ASP A 39 -0.372 -8.145 -12.028 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.635 -9.786 -11.183 1.00 0.00 O ATOM 0 H ASP A 39 0.272 -6.500 -10.867 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.830 -7.172 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.825 -8.540 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.572 -9.313 -9.009 1.00 0.00 H new ATOM 247 N LEU A 40 0.748 -5.845 -7.766 1.00 0.00 N ATOM 248 CA LEU A 40 1.491 -5.389 -6.592 1.00 0.00 C ATOM 249 C LEU A 40 2.597 -6.386 -6.231 1.00 0.00 C ATOM 250 O LEU A 40 3.076 -6.436 -5.095 1.00 0.00 O ATOM 251 CB LEU A 40 0.533 -5.018 -5.449 1.00 0.00 C ATOM 252 CG LEU A 40 -0.512 -3.991 -5.936 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.897 -4.313 -5.372 1.00 0.00 C ATOM 254 CD2 LEU A 40 -0.085 -2.565 -5.587 1.00 0.00 C ATOM 0 H LEU A 40 0.964 -5.287 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 40 2.018 -4.462 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.030 -5.913 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.097 -4.604 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.572 -4.059 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.616 -3.576 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.202 -5.306 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.861 -4.287 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.839 -1.862 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.019 -2.471 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.870 -2.344 -6.064 1.00 0.00 H new ATOM 266 N THR A 41 3.030 -7.133 -7.254 1.00 0.00 N ATOM 267 CA THR A 41 4.068 -8.144 -7.253 1.00 0.00 C ATOM 268 C THR A 41 5.470 -7.531 -7.289 1.00 0.00 C ATOM 269 O THR A 41 6.446 -8.267 -7.184 1.00 0.00 O ATOM 270 CB THR A 41 3.833 -9.010 -8.499 1.00 0.00 C ATOM 271 OG1 THR A 41 3.471 -8.162 -9.578 1.00 0.00 O ATOM 272 CG2 THR A 41 2.688 -9.997 -8.259 1.00 0.00 C ATOM 0 H THR A 41 2.619 -7.027 -8.182 1.00 0.00 H new ATOM 0 HA THR A 41 4.017 -8.730 -6.336 1.00 0.00 H new ATOM 0 HB THR A 41 4.745 -9.564 -8.722 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.319 -8.702 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.536 -10.602 -9.153 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.937 -10.646 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.774 -9.447 -8.034 1.00 0.00 H new ATOM 280 N GLY A 42 5.586 -6.208 -7.439 1.00 0.00 N ATOM 281 CA GLY A 42 6.839 -5.503 -7.251 1.00 0.00 C ATOM 282 C GLY A 42 7.579 -5.292 -8.566 1.00 0.00 C ATOM 283 O GLY A 42 8.500 -6.038 -8.888 1.00 0.00 O ATOM 0 H GLY A 42 4.806 -5.602 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.645 -4.537 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.472 -6.066 -6.565 1.00 0.00 H new ATOM 287 N ALA A 43 7.176 -4.272 -9.329 1.00 0.00 N ATOM 288 CA ALA A 43 7.840 -3.905 -10.575 1.00 0.00 C ATOM 289 C ALA A 43 9.058 -3.008 -10.310 1.00 0.00 C ATOM 290 O ALA A 43 10.194 -3.475 -10.332 1.00 0.00 O ATOM 291 CB ALA A 43 6.824 -3.263 -11.528 1.00 0.00 C ATOM 0 H ALA A 43 6.379 -3.679 -9.097 1.00 0.00 H new ATOM 0 HA ALA A 43 8.227 -4.802 -11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.321 -2.989 -12.459 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.024 -3.973 -11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.404 -2.370 -11.065 1.00 0.00 H new ATOM 297 N SER A 44 8.827 -1.715 -10.073 1.00 0.00 N ATOM 298 CA SER A 44 9.849 -0.706 -9.796 1.00 0.00 C ATOM 299 C SER A 44 10.057 -0.503 -8.289 1.00 0.00 C ATOM 300 O SER A 44 10.798 0.393 -7.889 1.00 0.00 O ATOM 301 CB SER A 44 9.455 0.623 -10.453 1.00 0.00 C ATOM 302 OG SER A 44 10.544 1.524 -10.411 1.00 0.00 O ATOM 0 H SER A 44 7.884 -1.327 -10.069 1.00 0.00 H new ATOM 0 HA SER A 44 10.791 -1.061 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.153 0.452 -11.486 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.596 1.053 -9.937 1.00 0.00 H new ATOM 0 HG SER A 44 11.017 1.426 -9.558 1.00 0.00 H new ATOM 308 N ALA A 45 9.342 -1.271 -7.469 1.00 0.00 N ATOM 309 CA ALA A 45 9.322 -1.238 -6.017 1.00 0.00 C ATOM 310 C ALA A 45 9.136 -2.700 -5.598 1.00 0.00 C ATOM 311 O ALA A 45 8.761 -3.501 -6.455 1.00 0.00 O ATOM 312 CB ALA A 45 8.152 -0.346 -5.600 1.00 0.00 C ATOM 0 H ALA A 45 8.715 -1.986 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 45 10.220 -0.833 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.103 -0.295 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.297 0.656 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.222 -0.762 -5.986 1.00 0.00 H new ATOM 318 N PRO A 46 9.410 -3.096 -4.347 1.00 0.00 N ATOM 319 CA PRO A 46 9.280 -4.484 -3.931 1.00 0.00 C ATOM 320 C PRO A 46 7.825 -4.957 -3.988 1.00 0.00 C ATOM 321 O PRO A 46 6.893 -4.158 -4.108 1.00 0.00 O ATOM 322 CB PRO A 46 9.850 -4.550 -2.511 1.00 0.00 C ATOM 323 CG PRO A 46 9.672 -3.123 -2.000 1.00 0.00 C ATOM 324 CD PRO A 46 9.909 -2.283 -3.254 1.00 0.00 C ATOM 0 HA PRO A 46 9.822 -5.152 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.312 -5.269 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.898 -4.851 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.676 -2.962 -1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.386 -2.884 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.382 -1.331 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.967 -2.054 -3.382 1.00 0.00 H new ATOM 332 N ALA A 47 7.647 -6.278 -3.904 1.00 0.00 N ATOM 333 CA ALA A 47 6.342 -6.914 -3.886 1.00 0.00 C ATOM 334 C ALA A 47 5.648 -6.553 -2.582 1.00 0.00 C ATOM 335 O ALA A 47 6.129 -6.934 -1.515 1.00 0.00 O ATOM 336 CB ALA A 47 6.505 -8.432 -4.008 1.00 0.00 C ATOM 0 H ALA A 47 8.422 -6.939 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 47 5.740 -6.568 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.523 -8.906 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.009 -8.670 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.098 -8.803 -3.172 1.00 0.00 H new ATOM 342 N ILE A 48 4.547 -5.800 -2.658 1.00 0.00 N ATOM 343 CA ILE A 48 3.776 -5.445 -1.473 1.00 0.00 C ATOM 344 C ILE A 48 2.443 -6.178 -1.430 1.00 0.00 C ATOM 345 O ILE A 48 1.782 -6.124 -0.403 1.00 0.00 O ATOM 346 CB ILE A 48 3.706 -3.924 -1.227 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.940 -3.104 -2.275 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.130 -3.379 -1.100 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.433 -3.098 -2.010 1.00 0.00 C ATOM 0 H ILE A 48 4.173 -5.426 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 48 4.322 -5.808 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 48 3.129 -3.808 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.312 -2.079 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.132 -3.514 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.094 -2.304 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.633 -3.865 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.680 -3.579 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.931 -2.506 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.055 -4.120 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.238 -2.663 -1.030 1.00 0.00 H new ATOM 361 N ASP A 49 2.073 -6.939 -2.465 1.00 0.00 N ATOM 362 CA ASP A 49 0.977 -7.903 -2.401 1.00 0.00 C ATOM 363 C ASP A 49 0.895 -8.625 -1.045 1.00 0.00 C ATOM 364 O ASP A 49 -0.172 -8.711 -0.444 1.00 0.00 O ATOM 365 CB ASP A 49 1.098 -8.926 -3.546 1.00 0.00 C ATOM 366 CG ASP A 49 2.313 -9.845 -3.456 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.334 -9.414 -2.878 1.00 0.00 O ATOM 368 OD2 ASP A 49 2.170 -10.993 -3.929 1.00 0.00 O ATOM 0 H ASP A 49 2.531 -6.901 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 49 0.052 -7.338 -2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.197 -9.539 -3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.136 -8.388 -4.493 1.00 0.00 H new ATOM 373 N LYS A 50 2.035 -9.127 -0.576 1.00 0.00 N ATOM 374 CA LYS A 50 2.200 -9.943 0.619 1.00 0.00 C ATOM 375 C LYS A 50 2.647 -9.105 1.812 1.00 0.00 C ATOM 376 O LYS A 50 2.915 -9.646 2.882 1.00 0.00 O ATOM 377 CB LYS A 50 3.132 -11.117 0.310 1.00 0.00 C ATOM 378 CG LYS A 50 2.338 -12.152 -0.498 1.00 0.00 C ATOM 379 CD LYS A 50 3.218 -12.823 -1.556 1.00 0.00 C ATOM 380 CE LYS A 50 2.370 -13.770 -2.420 1.00 0.00 C ATOM 381 NZ LYS A 50 2.578 -15.184 -2.054 1.00 0.00 N ATOM 0 H LYS A 50 2.922 -8.963 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 50 1.237 -10.361 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.000 -10.776 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.506 -11.560 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.932 -12.908 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.490 -11.667 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.687 -12.066 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.022 -13.379 -1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.316 -13.517 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.622 -13.626 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.988 -15.790 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.579 -15.433 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.313 -15.327 -1.059 1.00 0.00 H new ATOM 395 N ALA A 51 2.729 -7.783 1.654 1.00 0.00 N ATOM 396 CA ALA A 51 2.966 -6.890 2.770 1.00 0.00 C ATOM 397 C ALA A 51 1.986 -7.163 3.910 1.00 0.00 C ATOM 398 O ALA A 51 2.378 -7.038 5.059 1.00 0.00 O ATOM 399 CB ALA A 51 2.906 -5.440 2.305 1.00 0.00 C ATOM 0 H ALA A 51 2.633 -7.312 0.754 1.00 0.00 H new ATOM 0 HA ALA A 51 3.967 -7.075 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.086 -4.778 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.668 -5.270 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.922 -5.233 1.885 1.00 0.00 H new ATOM 405 N GLY A 52 0.744 -7.580 3.631 1.00 0.00 N ATOM 406 CA GLY A 52 -0.170 -7.986 4.687 1.00 0.00 C ATOM 407 C GLY A 52 0.265 -9.247 5.445 1.00 0.00 C ATOM 408 O GLY A 52 -0.134 -9.444 6.590 1.00 0.00 O ATOM 0 H GLY A 52 0.359 -7.642 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.273 -7.166 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.155 -8.158 4.253 1.00 0.00 H new ATOM 412 N ALA A 53 1.038 -10.136 4.812 1.00 0.00 N ATOM 413 CA ALA A 53 1.660 -11.265 5.500 1.00 0.00 C ATOM 414 C ALA A 53 2.894 -10.790 6.267 1.00 0.00 C ATOM 415 O ALA A 53 3.096 -11.167 7.418 1.00 0.00 O ATOM 416 CB ALA A 53 2.059 -12.368 4.510 1.00 0.00 C ATOM 0 H ALA A 53 1.247 -10.091 3.815 1.00 0.00 H new ATOM 0 HA ALA A 53 0.932 -11.679 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.519 -13.194 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.172 -12.726 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.770 -11.968 3.787 1.00 0.00 H new ATOM 422 N ASN A 54 3.740 -10.002 5.600 1.00 0.00 N ATOM 423 CA ASN A 54 5.067 -9.657 6.102 1.00 0.00 C ATOM 424 C ASN A 54 4.976 -8.645 7.243 1.00 0.00 C ATOM 425 O ASN A 54 5.706 -8.745 8.227 1.00 0.00 O ATOM 426 CB ASN A 54 5.923 -9.067 4.970 1.00 0.00 C ATOM 427 CG ASN A 54 6.144 -10.028 3.803 1.00 0.00 C ATOM 428 OD1 ASN A 54 6.062 -11.243 3.951 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.429 -9.491 2.619 1.00 0.00 N ATOM 0 H ASN A 54 3.521 -9.586 4.695 1.00 0.00 H new ATOM 0 HA ASN A 54 5.530 -10.569 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.444 -8.162 4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.891 -8.772 5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.585 -10.093 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.492 -8.478 2.520 1.00 0.00 H new ATOM 436 N TYR A 55 4.113 -7.647 7.068 1.00 0.00 N ATOM 437 CA TYR A 55 3.880 -6.513 7.950 1.00 0.00 C ATOM 438 C TYR A 55 2.389 -6.488 8.304 1.00 0.00 C ATOM 439 O TYR A 55 1.633 -7.344 7.849 1.00 0.00 O ATOM 440 CB TYR A 55 4.309 -5.220 7.234 1.00 0.00 C ATOM 441 CG TYR A 55 5.734 -5.169 6.705 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.789 -5.783 7.409 1.00 0.00 C ATOM 443 CD2 TYR A 55 6.022 -4.409 5.553 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.107 -5.700 6.928 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.347 -4.299 5.093 1.00 0.00 C ATOM 446 CZ TYR A 55 8.388 -4.940 5.782 1.00 0.00 C ATOM 447 OH TYR A 55 9.672 -4.810 5.348 1.00 0.00 O ATOM 0 H TYR A 55 3.515 -7.610 6.243 1.00 0.00 H new ATOM 0 HA TYR A 55 4.463 -6.597 8.867 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.630 -5.054 6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.173 -4.388 7.925 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.584 -6.320 8.323 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.224 -3.910 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.903 -6.221 7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.563 -3.720 4.207 1.00 0.00 H new ATOM 0 HH TYR A 55 9.690 -4.253 4.542 1.00 0.00 H new ATOM 457 N SER A 56 1.968 -5.511 9.110 1.00 0.00 N ATOM 458 CA SER A 56 0.585 -5.371 9.554 1.00 0.00 C ATOM 459 C SER A 56 0.011 -4.032 9.083 1.00 0.00 C ATOM 460 O SER A 56 0.743 -3.186 8.559 1.00 0.00 O ATOM 461 CB SER A 56 0.529 -5.525 11.075 1.00 0.00 C ATOM 462 OG SER A 56 1.086 -6.764 11.467 1.00 0.00 O ATOM 0 H SER A 56 2.587 -4.788 9.475 1.00 0.00 H new ATOM 0 HA SER A 56 -0.033 -6.153 9.113 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.073 -4.708 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.504 -5.460 11.415 1.00 0.00 H new ATOM 0 HG SER A 56 1.045 -6.847 12.443 1.00 0.00 H new ATOM 468 N GLU A 57 -1.305 -3.852 9.240 1.00 0.00 N ATOM 469 CA GLU A 57 -2.004 -2.687 8.726 1.00 0.00 C ATOM 470 C GLU A 57 -1.365 -1.396 9.259 1.00 0.00 C ATOM 471 O GLU A 57 -1.119 -0.484 8.476 1.00 0.00 O ATOM 472 CB GLU A 57 -3.525 -2.830 8.933 1.00 0.00 C ATOM 473 CG GLU A 57 -4.027 -2.700 10.376 1.00 0.00 C ATOM 474 CD GLU A 57 -4.717 -1.358 10.594 1.00 0.00 C ATOM 475 OE1 GLU A 57 -4.027 -0.331 10.420 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.933 -1.387 10.879 1.00 0.00 O ATOM 0 H GLU A 57 -1.908 -4.514 9.728 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.888 -2.617 7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.026 -2.075 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.833 -3.803 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.721 -3.511 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.190 -2.799 11.067 1.00 0.00 H new ATOM 483 N GLU A 58 -0.978 -1.363 10.537 1.00 0.00 N ATOM 484 CA GLU A 58 -0.299 -0.241 11.162 1.00 0.00 C ATOM 485 C GLU A 58 0.956 0.175 10.375 1.00 0.00 C ATOM 486 O GLU A 58 1.098 1.334 9.983 1.00 0.00 O ATOM 487 CB GLU A 58 -0.024 -0.539 12.653 1.00 0.00 C ATOM 488 CG GLU A 58 0.700 -1.855 13.017 1.00 0.00 C ATOM 489 CD GLU A 58 -0.213 -3.059 13.232 1.00 0.00 C ATOM 490 OE1 GLU A 58 -1.021 -3.336 12.321 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.041 -3.733 14.269 1.00 0.00 O ATOM 0 H GLU A 58 -1.136 -2.141 11.177 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.957 0.628 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.565 0.286 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.981 -0.531 13.175 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.408 -2.093 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.281 -1.693 13.925 1.00 0.00 H new ATOM 498 N GLU A 59 1.852 -0.779 10.118 1.00 0.00 N ATOM 499 CA GLU A 59 3.106 -0.555 9.414 1.00 0.00 C ATOM 500 C GLU A 59 2.812 0.002 8.022 1.00 0.00 C ATOM 501 O GLU A 59 3.389 0.998 7.591 1.00 0.00 O ATOM 502 CB GLU A 59 3.861 -1.892 9.304 1.00 0.00 C ATOM 503 CG GLU A 59 4.348 -2.426 10.658 1.00 0.00 C ATOM 504 CD GLU A 59 5.530 -1.624 11.187 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.635 -1.831 10.639 1.00 0.00 O ATOM 506 OE2 GLU A 59 5.309 -0.826 12.121 1.00 0.00 O ATOM 0 H GLU A 59 1.719 -1.750 10.402 1.00 0.00 H new ATOM 0 HA GLU A 59 3.721 0.162 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.209 -2.633 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.717 -1.765 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.531 -2.389 11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.635 -3.472 10.555 1.00 0.00 H new ATOM 513 N ILE A 60 1.901 -0.665 7.309 1.00 0.00 N ATOM 514 CA ILE A 60 1.572 -0.340 5.930 1.00 0.00 C ATOM 515 C ILE A 60 1.000 1.078 5.879 1.00 0.00 C ATOM 516 O ILE A 60 1.481 1.921 5.124 1.00 0.00 O ATOM 517 CB ILE A 60 0.610 -1.403 5.367 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.324 -2.766 5.305 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.087 -0.999 3.982 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.361 -3.938 5.097 1.00 0.00 C ATOM 0 H ILE A 60 1.369 -1.452 7.681 1.00 0.00 H new ATOM 0 HA ILE A 60 2.460 -0.355 5.298 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.250 -1.482 6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.051 -2.752 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.881 -2.920 6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.590 -1.768 3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.447 -0.052 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.925 -0.890 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.925 -4.870 5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.351 -3.975 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.178 -3.804 4.159 1.00 0.00 H new ATOM 532 N LEU A 61 -0.009 1.340 6.709 1.00 0.00 N ATOM 533 CA LEU A 61 -0.642 2.637 6.870 1.00 0.00 C ATOM 534 C LEU A 61 0.416 3.707 7.055 1.00 0.00 C ATOM 535 O LEU A 61 0.477 4.678 6.295 1.00 0.00 O ATOM 536 CB LEU A 61 -1.557 2.602 8.101 1.00 0.00 C ATOM 537 CG LEU A 61 -2.366 3.885 8.347 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.020 4.414 7.070 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.455 3.605 9.386 1.00 0.00 C ATOM 0 H LEU A 61 -0.419 0.624 7.308 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.229 2.867 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.251 1.768 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.948 2.400 8.982 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.673 4.646 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.580 5.321 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.249 4.638 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.698 3.660 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.031 4.513 9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.117 2.822 9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.993 3.281 10.319 1.00 0.00 H new ATOM 551 N ASP A 62 1.254 3.518 8.076 1.00 0.00 N ATOM 552 CA ASP A 62 2.229 4.532 8.414 1.00 0.00 C ATOM 553 C ASP A 62 3.175 4.724 7.233 1.00 0.00 C ATOM 554 O ASP A 62 3.438 5.856 6.842 1.00 0.00 O ATOM 555 CB ASP A 62 2.946 4.200 9.724 1.00 0.00 C ATOM 556 CG ASP A 62 3.665 5.426 10.275 1.00 0.00 C ATOM 557 OD1 ASP A 62 2.978 6.448 10.512 1.00 0.00 O ATOM 558 OD2 ASP A 62 4.901 5.351 10.416 1.00 0.00 O ATOM 0 H ASP A 62 1.271 2.687 8.667 1.00 0.00 H new ATOM 0 HA ASP A 62 1.730 5.484 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.225 3.836 10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.664 3.397 9.557 1.00 0.00 H new ATOM 563 N ILE A 63 3.606 3.642 6.582 1.00 0.00 N ATOM 564 CA ILE A 63 4.477 3.736 5.413 1.00 0.00 C ATOM 565 C ILE A 63 3.811 4.531 4.286 1.00 0.00 C ATOM 566 O ILE A 63 4.477 5.334 3.640 1.00 0.00 O ATOM 567 CB ILE A 63 4.943 2.333 4.966 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.267 2.011 5.682 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.107 2.213 3.444 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.655 0.530 5.613 1.00 0.00 C ATOM 0 H ILE A 63 3.364 2.687 6.847 1.00 0.00 H new ATOM 0 HA ILE A 63 5.372 4.293 5.689 1.00 0.00 H new ATOM 0 HB ILE A 63 4.172 1.613 5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.064 2.608 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.187 2.309 6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.436 1.205 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.152 2.415 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.849 2.934 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.598 0.376 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.876 -0.072 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.767 0.231 4.571 1.00 0.00 H new ATOM 582 N ILE A 64 2.521 4.329 4.023 1.00 0.00 N ATOM 583 CA ILE A 64 1.823 5.095 2.995 1.00 0.00 C ATOM 584 C ILE A 64 1.848 6.580 3.359 1.00 0.00 C ATOM 585 O ILE A 64 2.205 7.435 2.544 1.00 0.00 O ATOM 586 CB ILE A 64 0.388 4.576 2.834 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.421 3.140 2.295 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.423 5.478 1.894 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.920 2.448 2.530 1.00 0.00 C ATOM 0 H ILE A 64 1.941 3.644 4.506 1.00 0.00 H new ATOM 0 HA ILE A 64 2.327 4.971 2.037 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.098 4.587 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.649 3.151 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.217 2.580 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.436 5.087 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.461 6.488 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.051 5.501 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.878 1.431 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.132 2.419 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.709 2.999 2.018 1.00 0.00 H new ATOM 601 N LEU A 65 1.446 6.882 4.593 1.00 0.00 N ATOM 602 CA LEU A 65 1.348 8.250 5.070 1.00 0.00 C ATOM 603 C LEU A 65 2.727 8.934 5.100 1.00 0.00 C ATOM 604 O LEU A 65 2.823 10.119 4.787 1.00 0.00 O ATOM 605 CB LEU A 65 0.691 8.248 6.455 1.00 0.00 C ATOM 606 CG LEU A 65 -0.763 7.726 6.487 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.112 7.351 7.930 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.752 8.786 6.012 1.00 0.00 C ATOM 0 H LEU A 65 1.181 6.182 5.285 1.00 0.00 H new ATOM 0 HA LEU A 65 0.730 8.827 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.295 7.638 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.705 9.264 6.849 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.834 6.866 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.136 6.980 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.430 6.575 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.018 8.230 8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.764 8.382 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.687 9.661 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.513 9.074 4.988 1.00 0.00 H new ATOM 620 N ASN A 66 3.778 8.200 5.483 1.00 0.00 N ATOM 621 CA ASN A 66 5.126 8.711 5.748 1.00 0.00 C ATOM 622 C ASN A 66 6.008 8.658 4.507 1.00 0.00 C ATOM 623 O ASN A 66 6.626 9.656 4.147 1.00 0.00 O ATOM 624 CB ASN A 66 5.819 7.890 6.849 1.00 0.00 C ATOM 625 CG ASN A 66 5.355 8.268 8.251 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.079 8.917 9.001 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.142 7.858 8.594 1.00 0.00 N ATOM 0 H ASN A 66 3.709 7.192 5.622 1.00 0.00 H new ATOM 0 HA ASN A 66 5.002 9.747 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.626 6.830 6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.897 8.033 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.771 8.080 9.518 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.580 7.321 7.934 1.00 0.00 H new ATOM 634 N GLY A 67 6.105 7.474 3.897 1.00 0.00 N ATOM 635 CA GLY A 67 7.074 7.134 2.867 1.00 0.00 C ATOM 636 C GLY A 67 8.130 6.181 3.429 1.00 0.00 C ATOM 637 O GLY A 67 8.966 6.588 4.233 1.00 0.00 O ATOM 0 H GLY A 67 5.482 6.698 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.568 6.669 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.552 8.040 2.494 1.00 0.00 H new ATOM 641 N GLN A 68 8.117 4.914 2.991 1.00 0.00 N ATOM 642 CA GLN A 68 9.305 4.060 3.052 1.00 0.00 C ATOM 643 C GLN A 68 10.459 4.817 2.358 1.00 0.00 C ATOM 644 O GLN A 68 10.204 5.613 1.465 1.00 0.00 O ATOM 645 CB GLN A 68 8.987 2.715 2.358 1.00 0.00 C ATOM 646 CG GLN A 68 10.196 1.833 2.051 1.00 0.00 C ATOM 647 CD GLN A 68 11.034 1.374 3.239 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.500 2.181 4.036 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.279 0.073 3.333 1.00 0.00 N ATOM 0 H GLN A 68 7.295 4.461 2.591 1.00 0.00 H new ATOM 0 HA GLN A 68 9.600 3.838 4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.300 2.153 2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.464 2.922 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.844 0.948 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.847 2.376 1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.876 -0.572 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.870 -0.282 4.085 1.00 0.00 H new ATOM 658 N GLY A 69 11.719 4.585 2.735 1.00 0.00 N ATOM 659 CA GLY A 69 12.886 5.341 2.272 1.00 0.00 C ATOM 660 C GLY A 69 12.840 5.795 0.803 1.00 0.00 C ATOM 661 O GLY A 69 12.930 6.987 0.522 1.00 0.00 O ATOM 0 H GLY A 69 11.963 3.843 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.000 6.222 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.775 4.728 2.417 1.00 0.00 H new ATOM 665 N GLY A 70 12.714 4.855 -0.140 1.00 0.00 N ATOM 666 CA GLY A 70 12.731 5.157 -1.574 1.00 0.00 C ATOM 667 C GLY A 70 11.353 5.510 -2.148 1.00 0.00 C ATOM 668 O GLY A 70 11.181 5.537 -3.365 1.00 0.00 O ATOM 0 H GLY A 70 12.597 3.864 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.413 5.989 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.129 4.297 -2.112 1.00 0.00 H new ATOM 672 N MET A 71 10.365 5.760 -1.288 1.00 0.00 N ATOM 673 CA MET A 71 8.971 5.998 -1.629 1.00 0.00 C ATOM 674 C MET A 71 8.590 7.392 -1.113 1.00 0.00 C ATOM 675 O MET A 71 8.891 7.706 0.034 1.00 0.00 O ATOM 676 CB MET A 71 8.175 4.892 -0.934 1.00 0.00 C ATOM 677 CG MET A 71 6.669 4.909 -1.149 1.00 0.00 C ATOM 678 SD MET A 71 5.938 3.438 -0.389 1.00 0.00 S ATOM 679 CE MET A 71 4.354 4.120 0.166 1.00 0.00 C ATOM 0 H MET A 71 10.530 5.803 -0.282 1.00 0.00 H new ATOM 0 HA MET A 71 8.773 5.975 -2.701 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.558 3.930 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.368 4.952 0.137 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.238 5.810 -0.712 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.443 4.932 -2.215 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.782 3.344 0.675 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.535 4.947 0.852 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.791 4.479 -0.695 1.00 0.00 H new ATOM 689 N PRO A 72 7.942 8.250 -1.917 1.00 0.00 N ATOM 690 CA PRO A 72 7.751 9.649 -1.558 1.00 0.00 C ATOM 691 C PRO A 72 6.873 9.828 -0.320 1.00 0.00 C ATOM 692 O PRO A 72 7.119 10.723 0.485 1.00 0.00 O ATOM 693 CB PRO A 72 7.169 10.327 -2.802 1.00 0.00 C ATOM 694 CG PRO A 72 6.535 9.177 -3.582 1.00 0.00 C ATOM 695 CD PRO A 72 7.445 7.993 -3.255 1.00 0.00 C ATOM 0 HA PRO A 72 8.697 10.109 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.432 11.084 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.943 10.826 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.507 8.995 -3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.509 9.382 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.896 7.052 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.264 7.917 -3.971 1.00 0.00 H new ATOM 703 N GLY A 73 5.851 8.984 -0.171 1.00 0.00 N ATOM 704 CA GLY A 73 4.964 9.031 0.974 1.00 0.00 C ATOM 705 C GLY A 73 3.914 10.124 0.828 1.00 0.00 C ATOM 706 O GLY A 73 4.000 10.994 -0.037 1.00 0.00 O ATOM 0 H GLY A 73 5.622 8.253 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.471 8.066 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.547 9.204 1.879 1.00 0.00 H new ATOM 710 N GLY A 74 2.860 10.025 1.639 1.00 0.00 N ATOM 711 CA GLY A 74 1.714 10.920 1.561 1.00 0.00 C ATOM 712 C GLY A 74 0.981 10.771 0.226 1.00 0.00 C ATOM 713 O GLY A 74 0.190 11.631 -0.153 1.00 0.00 O ATOM 0 H GLY A 74 2.781 9.318 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.028 10.707 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.046 11.951 1.683 1.00 0.00 H new ATOM 717 N ILE A 75 1.228 9.660 -0.476 1.00 0.00 N ATOM 718 CA ILE A 75 0.621 9.326 -1.752 1.00 0.00 C ATOM 719 C ILE A 75 -0.890 9.222 -1.570 1.00 0.00 C ATOM 720 O ILE A 75 -1.653 9.626 -2.451 1.00 0.00 O ATOM 721 CB ILE A 75 1.231 8.002 -2.242 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.704 8.205 -2.636 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.456 7.406 -3.425 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.504 6.935 -2.342 1.00 0.00 C ATOM 0 H ILE A 75 1.882 8.947 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 75 0.814 10.095 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 75 1.166 7.296 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.775 8.452 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.124 9.045 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.926 6.472 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.574 7.212 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.465 8.110 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.546 7.088 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.446 6.707 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.091 6.104 -2.914 1.00 0.00 H new ATOM 736 N ALA A 76 -1.307 8.668 -0.429 1.00 0.00 N ATOM 737 CA ALA A 76 -2.690 8.565 -0.026 1.00 0.00 C ATOM 738 C ALA A 76 -2.767 8.969 1.442 1.00 0.00 C ATOM 739 O ALA A 76 -1.795 8.744 2.166 1.00 0.00 O ATOM 740 CB ALA A 76 -3.168 7.127 -0.247 1.00 0.00 C ATOM 0 H ALA A 76 -0.662 8.270 0.253 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.336 9.219 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.212 7.040 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.073 6.870 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.560 6.446 0.349 1.00 0.00 H new ATOM 746 N LYS A 77 -3.870 9.587 1.879 1.00 0.00 N ATOM 747 CA LYS A 77 -4.018 10.101 3.241 1.00 0.00 C ATOM 748 C LYS A 77 -5.435 9.876 3.784 1.00 0.00 C ATOM 749 O LYS A 77 -6.406 9.816 3.036 1.00 0.00 O ATOM 750 CB LYS A 77 -3.638 11.591 3.274 1.00 0.00 C ATOM 751 CG LYS A 77 -2.122 11.862 3.386 1.00 0.00 C ATOM 752 CD LYS A 77 -1.616 12.020 4.834 1.00 0.00 C ATOM 753 CE LYS A 77 -0.878 13.355 5.021 1.00 0.00 C ATOM 754 NZ LYS A 77 -0.425 13.562 6.415 1.00 0.00 N ATOM 0 H LYS A 77 -4.689 9.744 1.292 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.342 9.548 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.014 12.069 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.142 12.063 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.581 11.043 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.883 12.768 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.458 11.967 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.949 11.194 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.017 13.387 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.536 14.174 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.066 14.476 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.248 13.559 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.225 12.797 6.686 1.00 0.00 H new ATOM 768 N GLY A 78 -5.549 9.757 5.111 1.00 0.00 N ATOM 769 CA GLY A 78 -6.820 9.538 5.785 1.00 0.00 C ATOM 770 C GLY A 78 -7.475 8.246 5.301 1.00 0.00 C ATOM 771 O GLY A 78 -6.773 7.284 4.984 1.00 0.00 O ATOM 0 H GLY A 78 -4.753 9.811 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.662 9.489 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.486 10.381 5.598 1.00 0.00 H new ATOM 775 N ALA A 79 -8.809 8.260 5.172 1.00 0.00 N ATOM 776 CA ALA A 79 -9.638 7.138 4.739 1.00 0.00 C ATOM 777 C ALA A 79 -9.050 6.390 3.537 1.00 0.00 C ATOM 778 O ALA A 79 -9.219 5.177 3.419 1.00 0.00 O ATOM 779 CB ALA A 79 -11.053 7.640 4.433 1.00 0.00 C ATOM 0 H ALA A 79 -9.360 9.094 5.377 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.671 6.416 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.674 6.804 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.483 8.085 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.010 8.388 3.641 1.00 0.00 H new ATOM 785 N GLU A 80 -8.370 7.119 2.649 1.00 0.00 N ATOM 786 CA GLU A 80 -7.594 6.581 1.545 1.00 0.00 C ATOM 787 C GLU A 80 -6.578 5.552 2.070 1.00 0.00 C ATOM 788 O GLU A 80 -6.702 4.355 1.804 1.00 0.00 O ATOM 789 CB GLU A 80 -6.940 7.777 0.829 1.00 0.00 C ATOM 790 CG GLU A 80 -6.617 7.620 -0.664 1.00 0.00 C ATOM 791 CD GLU A 80 -5.809 8.821 -1.165 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.554 9.724 -0.333 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.403 8.802 -2.350 1.00 0.00 O ATOM 0 H GLU A 80 -8.348 8.138 2.686 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.214 6.043 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.599 8.638 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.013 8.015 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.053 6.701 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.541 7.532 -1.235 1.00 0.00 H new ATOM 800 N ALA A 81 -5.587 6.004 2.848 1.00 0.00 N ATOM 801 CA ALA A 81 -4.521 5.159 3.349 1.00 0.00 C ATOM 802 C ALA A 81 -5.070 4.133 4.338 1.00 0.00 C ATOM 803 O ALA A 81 -4.646 2.980 4.324 1.00 0.00 O ATOM 804 CB ALA A 81 -3.447 6.035 3.994 1.00 0.00 C ATOM 0 H ALA A 81 -5.511 6.977 3.144 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.073 4.607 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.642 5.405 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.048 6.727 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.884 6.599 4.818 1.00 0.00 H new ATOM 810 N GLU A 82 -6.015 4.541 5.188 1.00 0.00 N ATOM 811 CA GLU A 82 -6.645 3.655 6.159 1.00 0.00 C ATOM 812 C GLU A 82 -7.254 2.451 5.439 1.00 0.00 C ATOM 813 O GLU A 82 -7.012 1.300 5.807 1.00 0.00 O ATOM 814 CB GLU A 82 -7.731 4.419 6.921 1.00 0.00 C ATOM 815 CG GLU A 82 -7.179 5.569 7.775 1.00 0.00 C ATOM 816 CD GLU A 82 -8.293 6.525 8.187 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.390 6.019 8.506 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.042 7.749 8.135 1.00 0.00 O ATOM 0 H GLU A 82 -6.363 5.499 5.219 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.896 3.301 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.452 4.819 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.271 3.724 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.693 5.166 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.418 6.111 7.214 1.00 0.00 H new ATOM 825 N ALA A 83 -8.040 2.719 4.391 1.00 0.00 N ATOM 826 CA ALA A 83 -8.624 1.659 3.597 1.00 0.00 C ATOM 827 C ALA A 83 -7.530 0.761 3.025 1.00 0.00 C ATOM 828 O ALA A 83 -7.648 -0.462 3.123 1.00 0.00 O ATOM 829 CB ALA A 83 -9.513 2.242 2.504 1.00 0.00 C ATOM 0 H ALA A 83 -8.280 3.661 4.082 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.255 1.040 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.945 1.432 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.313 2.827 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.918 2.885 1.855 1.00 0.00 H new ATOM 835 N VAL A 84 -6.465 1.354 2.458 1.00 0.00 N ATOM 836 CA VAL A 84 -5.328 0.552 2.018 1.00 0.00 C ATOM 837 C VAL A 84 -4.878 -0.372 3.139 1.00 0.00 C ATOM 838 O VAL A 84 -4.840 -1.569 2.925 1.00 0.00 O ATOM 839 CB VAL A 84 -4.117 1.353 1.517 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.035 0.352 1.078 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.446 2.274 0.342 1.00 0.00 C ATOM 0 H VAL A 84 -6.374 2.358 2.300 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.696 -0.007 1.158 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.780 1.992 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.162 0.895 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.750 -0.271 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.425 -0.279 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.547 2.810 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.815 1.680 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.211 2.990 0.644 1.00 0.00 H new ATOM 851 N ALA A 85 -4.512 0.164 4.302 1.00 0.00 N ATOM 852 CA ALA A 85 -3.952 -0.601 5.408 1.00 0.00 C ATOM 853 C ALA A 85 -4.714 -1.913 5.628 1.00 0.00 C ATOM 854 O ALA A 85 -4.142 -3.001 5.530 1.00 0.00 O ATOM 855 CB ALA A 85 -3.987 0.280 6.656 1.00 0.00 C ATOM 0 H ALA A 85 -4.599 1.160 4.503 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.924 -0.881 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.572 -0.270 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.396 1.179 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.017 0.559 6.875 1.00 0.00 H new ATOM 861 N ALA A 86 -6.018 -1.797 5.889 1.00 0.00 N ATOM 862 CA ALA A 86 -6.878 -2.944 6.141 1.00 0.00 C ATOM 863 C ALA A 86 -6.897 -3.895 4.941 1.00 0.00 C ATOM 864 O ALA A 86 -6.631 -5.088 5.074 1.00 0.00 O ATOM 865 CB ALA A 86 -8.290 -2.454 6.476 1.00 0.00 C ATOM 0 H ALA A 86 -6.504 -0.901 5.931 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.483 -3.503 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.937 -3.311 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.255 -1.822 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.684 -1.880 5.638 1.00 0.00 H new ATOM 871 N TRP A 87 -7.222 -3.365 3.762 1.00 0.00 N ATOM 872 CA TRP A 87 -7.338 -4.154 2.543 1.00 0.00 C ATOM 873 C TRP A 87 -6.036 -4.907 2.248 1.00 0.00 C ATOM 874 O TRP A 87 -6.042 -6.087 1.931 1.00 0.00 O ATOM 875 CB TRP A 87 -7.705 -3.196 1.412 1.00 0.00 C ATOM 876 CG TRP A 87 -7.585 -3.724 0.019 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.526 -4.368 -0.709 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.477 -3.516 -0.893 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.978 -4.778 -1.908 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.715 -4.256 -2.081 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.301 -2.745 -0.862 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.761 -4.299 -3.107 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.578 -2.544 -2.050 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.947 -3.188 -3.233 1.00 0.00 C ATOM 0 H TRP A 87 -7.412 -2.372 3.629 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.111 -4.915 2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.733 -2.868 1.564 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.073 -2.312 1.496 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.547 -4.535 -0.400 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.447 -5.388 -2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.957 -2.312 0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.667 -5.152 -3.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.725 -1.882 -2.048 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.613 -2.836 -4.198 1.00 0.00 H new ATOM 895 N LEU A 88 -4.902 -4.224 2.356 1.00 0.00 N ATOM 896 CA LEU A 88 -3.590 -4.772 2.081 1.00 0.00 C ATOM 897 C LEU A 88 -3.268 -5.870 3.092 1.00 0.00 C ATOM 898 O LEU A 88 -2.847 -6.960 2.711 1.00 0.00 O ATOM 899 CB LEU A 88 -2.545 -3.654 2.056 1.00 0.00 C ATOM 900 CG LEU A 88 -1.560 -3.777 0.895 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.621 -4.960 1.036 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.139 -3.674 -0.503 1.00 0.00 C ATOM 0 H LEU A 88 -4.875 -3.246 2.646 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.575 -5.233 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.053 -2.692 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.992 -3.661 2.995 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.971 -2.865 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.054 -4.993 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.040 -4.856 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.201 -5.882 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.339 -3.777 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.873 -4.466 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.622 -2.705 -0.626 1.00 0.00 H new ATOM 914 N ALA A 89 -3.529 -5.607 4.376 1.00 0.00 N ATOM 915 CA ALA A 89 -3.448 -6.620 5.422 1.00 0.00 C ATOM 916 C ALA A 89 -4.279 -7.856 5.061 1.00 0.00 C ATOM 917 O ALA A 89 -3.847 -8.988 5.274 1.00 0.00 O ATOM 918 CB ALA A 89 -3.839 -6.023 6.773 1.00 0.00 C ATOM 0 H ALA A 89 -3.802 -4.685 4.715 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.415 -6.957 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.773 -6.792 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.162 -5.205 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.861 -5.646 6.722 1.00 0.00 H new ATOM 924 N GLU A 90 -5.462 -7.630 4.490 1.00 0.00 N ATOM 925 CA GLU A 90 -6.383 -8.660 4.033 1.00 0.00 C ATOM 926 C GLU A 90 -5.929 -9.336 2.720 1.00 0.00 C ATOM 927 O GLU A 90 -6.359 -10.449 2.426 1.00 0.00 O ATOM 928 CB GLU A 90 -7.779 -8.009 3.982 1.00 0.00 C ATOM 929 CG GLU A 90 -8.934 -8.948 3.597 1.00 0.00 C ATOM 930 CD GLU A 90 -9.303 -8.914 2.113 1.00 0.00 C ATOM 931 OE1 GLU A 90 -8.525 -8.342 1.320 1.00 0.00 O ATOM 932 OE2 GLU A 90 -10.392 -9.445 1.804 1.00 0.00 O ATOM 0 H GLU A 90 -5.815 -6.687 4.329 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.408 -9.502 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.995 -7.577 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.751 -7.185 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.664 -9.968 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.813 -8.684 4.184 1.00 0.00 H new ATOM 939 N LYS A 91 -4.997 -8.738 1.965 1.00 0.00 N ATOM 940 CA LYS A 91 -4.667 -9.138 0.590 1.00 0.00 C ATOM 941 C LYS A 91 -3.689 -10.318 0.522 1.00 0.00 C ATOM 942 O LYS A 91 -3.317 -10.766 -0.562 1.00 0.00 O ATOM 943 CB LYS A 91 -4.038 -7.918 -0.098 1.00 0.00 C ATOM 944 CG LYS A 91 -4.564 -7.618 -1.502 1.00 0.00 C ATOM 945 CD LYS A 91 -4.103 -8.577 -2.606 1.00 0.00 C ATOM 946 CE LYS A 91 -2.574 -8.545 -2.762 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.154 -8.961 -4.121 1.00 0.00 N ATOM 0 H LYS A 91 -4.442 -7.950 2.298 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.581 -9.469 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.203 -7.042 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.960 -8.069 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.654 -7.627 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.261 -6.607 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.427 -9.591 -2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.574 -8.303 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.208 -7.538 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.119 -9.204 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.427 -8.307 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.764 -9.924 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.975 -8.944 -4.759 1.00 0.00 H new ATOM 961 N LYS A 92 -3.208 -10.740 1.683 1.00 0.00 N ATOM 962 CA LYS A 92 -1.974 -11.475 1.871 1.00 0.00 C ATOM 963 C LYS A 92 -2.044 -12.939 1.422 1.00 0.00 C ATOM 964 O LYS A 92 -3.124 -13.549 1.582 1.00 0.00 O ATOM 965 CB LYS A 92 -1.641 -11.344 3.348 1.00 0.00 C ATOM 966 CG LYS A 92 -2.731 -11.914 4.274 1.00 0.00 C ATOM 967 CD LYS A 92 -2.276 -11.892 5.733 1.00 0.00 C ATOM 968 CE LYS A 92 -3.369 -12.479 6.632 1.00 0.00 C ATOM 969 NZ LYS A 92 -2.875 -12.704 8.006 1.00 0.00 N ATOM 970 OXT LYS A 92 -0.985 -13.441 0.976 1.00 0.00 O ATOM 0 H LYS A 92 -3.696 -10.568 2.562 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.191 -11.058 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.700 -11.857 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.487 -10.292 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.646 -11.332 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.967 -12.936 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.356 -12.465 5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.053 -10.869 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.223 -11.803 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.721 -13.421 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.639 -13.102 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.075 -13.369 7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.562 -11.800 8.415 1.00 0.00 H new