USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 747 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.0391 USER MOD Set 1.3: A 79 TYR OH : rot 43:sc= -0.0142 USER MOD Set 2.1: A 41 THR OG1 : rot 27:sc= 0.0901 USER MOD Set 2.2: A 49 SER OG : rot 180:sc= -0.537 USER MOD Set 3.1: A 31 THR OG1 : rot -55:sc= 0.643 USER MOD Set 3.2: A 34 SER OG : rot -48:sc= 0.338 USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.306 K(o=0.96,f=-6.3!) USER MOD Set 4.2: A 65 THR OG1 : rot -61:sc= 0.652 USER MOD Single : A 1 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : A 1 HIS N :NH3+ 145:sc= 0.0206 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 1.09 (180deg=1.03) USER MOD Single : A 6 SER OG : rot 180:sc= -0.141 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.59 K(o=-3.6,f=-15!) USER MOD Single : A 32 GLN : amide:sc= -5.69! C(o=-5.7!,f=-7.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= 0.268 K(o=0.27,f=-1.1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 156:sc= -1.15 (180deg=-1.6) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= 0.181 (180deg=0.111) USER MOD Single : A 87 SER OG : rot 180:sc= -0.341 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 140:sc= -0.0346 USER MOD Single : A 98 THR OG1 : rot 3:sc= 0.141 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 16.910 6.113 -1.797 1.00 6.73 N ATOM 2 CA HIS A 1 16.121 5.446 -2.819 1.00 5.66 C ATOM 3 C HIS A 1 14.833 6.234 -3.068 1.00 4.12 C ATOM 4 O HIS A 1 14.196 6.702 -2.127 1.00 4.40 O ATOM 5 CB HIS A 1 15.861 3.988 -2.439 1.00 6.75 C ATOM 6 CG HIS A 1 16.859 3.015 -3.019 1.00 8.23 C ATOM 7 ND1 HIS A 1 17.529 3.246 -4.208 1.00 8.83 N ATOM 8 CD2 HIS A 1 17.295 1.806 -2.561 1.00 9.73 C ATOM 9 CE1 HIS A 1 18.327 2.217 -4.445 1.00 10.44 C ATOM 10 NE2 HIS A 1 18.181 1.324 -3.424 1.00 10.97 N ATOM 0 H1 HIS A 1 17.400 5.402 -1.218 1.00 6.73 H new ATOM 0 H2 HIS A 1 17.611 6.734 -2.250 1.00 6.73 H new ATOM 0 H3 HIS A 1 16.284 6.681 -1.191 1.00 6.73 H new ATOM 0 HA HIS A 1 16.678 5.422 -3.756 1.00 5.66 H new ATOM 0 HB2 HIS A 1 15.871 3.899 -1.353 1.00 6.75 H new ATOM 0 HB3 HIS A 1 14.861 3.709 -2.772 1.00 6.75 H new ATOM 0 HD2 HIS A 1 16.974 1.323 -1.650 1.00 9.73 H new ATOM 0 HE1 HIS A 1 18.980 2.104 -5.298 1.00 10.44 H new ATOM 0 HE2 HIS A 1 18.671 0.434 -3.338 1.00 10.97 H new ATOM 20 N PRO A 2 14.479 6.358 -4.375 1.00 3.62 N ATOM 21 CA PRO A 2 13.278 7.080 -4.760 1.00 3.21 C ATOM 22 C PRO A 2 12.023 6.256 -4.463 1.00 2.53 C ATOM 23 O PRO A 2 11.476 6.328 -3.364 1.00 2.55 O ATOM 24 CB PRO A 2 13.456 7.379 -6.240 1.00 4.67 C ATOM 25 CG PRO A 2 14.524 6.416 -6.734 1.00 5.51 C ATOM 26 CD PRO A 2 15.210 5.817 -5.517 1.00 4.94 C ATOM 0 HA PRO A 2 13.142 8.002 -4.194 1.00 3.21 H new ATOM 0 HB2 PRO A 2 12.521 7.237 -6.782 1.00 4.67 H new ATOM 0 HB3 PRO A 2 13.761 8.414 -6.396 1.00 4.67 H new ATOM 0 HG2 PRO A 2 14.078 5.632 -7.345 1.00 5.51 H new ATOM 0 HG3 PRO A 2 15.247 6.937 -7.362 1.00 5.51 H new ATOM 0 HD2 PRO A 2 15.167 4.728 -5.534 1.00 4.94 H new ATOM 0 HD3 PRO A 2 16.264 6.094 -5.480 1.00 4.94 H new ATOM 34 N LYS A 3 11.606 5.493 -5.462 1.00 2.14 N ATOM 35 CA LYS A 3 10.426 4.656 -5.321 1.00 1.71 C ATOM 36 C LYS A 3 10.576 3.418 -6.208 1.00 1.35 C ATOM 37 O LYS A 3 11.435 3.380 -7.087 1.00 1.45 O ATOM 38 CB LYS A 3 9.159 5.465 -5.603 1.00 2.08 C ATOM 39 CG LYS A 3 8.558 6.012 -4.308 1.00 2.76 C ATOM 40 CD LYS A 3 8.143 7.476 -4.472 1.00 3.14 C ATOM 41 CE LYS A 3 8.392 8.264 -3.184 1.00 4.39 C ATOM 42 NZ LYS A 3 9.843 8.471 -2.975 1.00 5.42 N ATOM 0 H LYS A 3 12.063 5.436 -6.372 1.00 2.14 H new ATOM 0 HA LYS A 3 10.329 4.303 -4.294 1.00 1.71 H new ATOM 0 HB2 LYS A 3 9.392 6.290 -6.276 1.00 2.08 H new ATOM 0 HB3 LYS A 3 8.427 4.836 -6.110 1.00 2.08 H new ATOM 0 HG2 LYS A 3 7.692 5.414 -4.024 1.00 2.76 H new ATOM 0 HG3 LYS A 3 9.285 5.924 -3.500 1.00 2.76 H new ATOM 0 HD2 LYS A 3 8.702 7.927 -5.292 1.00 3.14 H new ATOM 0 HD3 LYS A 3 7.087 7.531 -4.738 1.00 3.14 H new ATOM 0 HE2 LYS A 3 7.885 9.228 -3.236 1.00 4.39 H new ATOM 0 HE3 LYS A 3 7.969 7.727 -2.335 1.00 4.39 H new ATOM 0 HZ1 LYS A 3 9.993 9.022 -2.106 1.00 5.42 H new ATOM 0 HZ2 LYS A 3 10.316 7.549 -2.887 1.00 5.42 H new ATOM 0 HZ3 LYS A 3 10.240 8.988 -3.785 1.00 5.42 H new ATOM 56 N LEU A 4 9.726 2.436 -5.947 1.00 1.22 N ATOM 57 CA LEU A 4 9.753 1.200 -6.710 1.00 1.23 C ATOM 58 C LEU A 4 9.591 1.521 -8.197 1.00 1.13 C ATOM 59 O LEU A 4 9.342 2.668 -8.565 1.00 1.11 O ATOM 60 CB LEU A 4 8.710 0.217 -6.175 1.00 1.52 C ATOM 61 CG LEU A 4 7.249 0.558 -6.478 1.00 1.04 C ATOM 62 CD1 LEU A 4 7.022 2.071 -6.444 1.00 1.03 C ATOM 63 CD2 LEU A 4 6.806 -0.058 -7.806 1.00 0.90 C ATOM 0 H LEU A 4 9.014 2.471 -5.217 1.00 1.22 H new ATOM 0 HA LEU A 4 10.715 0.701 -6.594 1.00 1.23 H new ATOM 0 HB2 LEU A 4 8.925 -0.769 -6.586 1.00 1.52 H new ATOM 0 HB3 LEU A 4 8.829 0.145 -5.094 1.00 1.52 H new ATOM 0 HG LEU A 4 6.627 0.121 -5.697 1.00 1.04 H new ATOM 0 HD11 LEU A 4 5.976 2.287 -6.662 1.00 1.03 H new ATOM 0 HD12 LEU A 4 7.273 2.454 -5.455 1.00 1.03 H new ATOM 0 HD13 LEU A 4 7.655 2.551 -7.190 1.00 1.03 H new ATOM 0 HD21 LEU A 4 5.764 0.200 -7.997 1.00 0.90 H new ATOM 0 HD22 LEU A 4 7.429 0.329 -8.612 1.00 0.90 H new ATOM 0 HD23 LEU A 4 6.908 -1.142 -7.756 1.00 0.90 H new ATOM 75 N VAL A 5 9.737 0.486 -9.012 1.00 1.12 N ATOM 76 CA VAL A 5 9.610 0.643 -10.451 1.00 1.07 C ATOM 77 C VAL A 5 8.214 1.178 -10.780 1.00 0.93 C ATOM 78 O VAL A 5 8.047 2.367 -11.046 1.00 0.91 O ATOM 79 CB VAL A 5 9.923 -0.680 -11.152 1.00 1.13 C ATOM 80 CG1 VAL A 5 9.380 -0.685 -12.583 1.00 1.23 C ATOM 81 CG2 VAL A 5 11.426 -0.967 -11.136 1.00 1.38 C ATOM 0 H VAL A 5 9.942 -0.464 -8.703 1.00 1.12 H new ATOM 0 HA VAL A 5 10.333 1.370 -10.821 1.00 1.07 H new ATOM 0 HB VAL A 5 9.423 -1.477 -10.601 1.00 1.13 H new ATOM 0 HG11 VAL A 5 9.616 -1.637 -13.058 1.00 1.23 H new ATOM 0 HG12 VAL A 5 8.299 -0.548 -12.562 1.00 1.23 H new ATOM 0 HG13 VAL A 5 9.838 0.127 -13.149 1.00 1.23 H new ATOM 0 HG21 VAL A 5 11.621 -1.913 -11.641 1.00 1.38 H new ATOM 0 HG22 VAL A 5 11.955 -0.165 -11.651 1.00 1.38 H new ATOM 0 HG23 VAL A 5 11.774 -1.027 -10.105 1.00 1.38 H new ATOM 91 N SER A 6 7.247 0.273 -10.751 1.00 0.87 N ATOM 92 CA SER A 6 5.871 0.639 -11.043 1.00 0.74 C ATOM 93 C SER A 6 4.919 -0.140 -10.134 1.00 0.64 C ATOM 94 O SER A 6 5.253 -1.227 -9.663 1.00 0.62 O ATOM 95 CB SER A 6 5.532 0.379 -12.512 1.00 0.75 C ATOM 96 OG SER A 6 6.523 0.907 -13.390 1.00 0.80 O ATOM 0 H SER A 6 7.389 -0.713 -10.530 1.00 0.87 H new ATOM 0 HA SER A 6 5.753 1.706 -10.854 1.00 0.74 H new ATOM 0 HB2 SER A 6 5.436 -0.694 -12.677 1.00 0.75 H new ATOM 0 HB3 SER A 6 4.566 0.826 -12.746 1.00 0.75 H new ATOM 0 HG SER A 6 6.271 0.719 -14.318 1.00 0.80 H new ATOM 102 N SER A 7 3.752 0.445 -9.912 1.00 0.61 N ATOM 103 CA SER A 7 2.748 -0.180 -9.067 1.00 0.52 C ATOM 104 C SER A 7 1.363 0.377 -9.400 1.00 0.49 C ATOM 105 O SER A 7 1.246 1.399 -10.075 1.00 0.52 O ATOM 106 CB SER A 7 3.064 0.036 -7.586 1.00 0.50 C ATOM 107 OG SER A 7 3.213 1.417 -7.266 1.00 0.56 O ATOM 0 H SER A 7 3.478 1.346 -10.303 1.00 0.61 H new ATOM 0 HA SER A 7 2.757 -1.253 -9.261 1.00 0.52 H new ATOM 0 HB2 SER A 7 2.266 -0.392 -6.979 1.00 0.50 H new ATOM 0 HB3 SER A 7 3.980 -0.496 -7.330 1.00 0.50 H new ATOM 0 HG SER A 7 3.412 1.512 -6.311 1.00 0.56 H new ATOM 113 N THR A 8 0.347 -0.321 -8.914 1.00 0.45 N ATOM 114 CA THR A 8 -1.026 0.090 -9.151 1.00 0.43 C ATOM 115 C THR A 8 -1.857 -0.060 -7.875 1.00 0.39 C ATOM 116 O THR A 8 -2.855 -0.779 -7.861 1.00 0.39 O ATOM 117 CB THR A 8 -1.567 -0.724 -10.328 1.00 0.48 C ATOM 118 OG1 THR A 8 -0.950 -0.136 -11.469 1.00 0.61 O ATOM 119 CG2 THR A 8 -3.063 -0.501 -10.556 1.00 0.83 C ATOM 0 H THR A 8 0.448 -1.169 -8.357 1.00 0.45 H new ATOM 0 HA THR A 8 -1.082 1.146 -9.414 1.00 0.43 H new ATOM 0 HB THR A 8 -1.381 -1.784 -10.152 1.00 0.48 H new ATOM 0 HG1 THR A 8 -1.244 -0.605 -12.278 1.00 0.61 H new ATOM 0 HG21 THR A 8 -3.396 -1.102 -11.402 1.00 0.83 H new ATOM 0 HG22 THR A 8 -3.615 -0.795 -9.663 1.00 0.83 H new ATOM 0 HG23 THR A 8 -3.246 0.553 -10.765 1.00 0.83 H new ATOM 127 N PRO A 9 -1.401 0.647 -6.806 1.00 0.38 N ATOM 128 CA PRO A 9 -2.092 0.599 -5.528 1.00 0.37 C ATOM 129 C PRO A 9 -3.379 1.423 -5.569 1.00 0.39 C ATOM 130 O PRO A 9 -4.478 0.868 -5.536 1.00 0.42 O ATOM 131 CB PRO A 9 -1.083 1.121 -4.517 1.00 0.41 C ATOM 132 CG PRO A 9 -0.038 1.874 -5.322 1.00 0.43 C ATOM 133 CD PRO A 9 -0.223 1.508 -6.786 1.00 0.42 C ATOM 0 HA PRO A 9 -2.418 -0.407 -5.263 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -1.562 1.776 -3.790 1.00 0.41 H new ATOM 0 HB3 PRO A 9 -0.630 0.302 -3.959 1.00 0.41 H new ATOM 0 HG2 PRO A 9 -0.149 2.949 -5.180 1.00 0.43 H new ATOM 0 HG3 PRO A 9 0.965 1.610 -4.987 1.00 0.43 H new ATOM 0 HD2 PRO A 9 -0.371 2.396 -7.401 1.00 0.42 H new ATOM 0 HD3 PRO A 9 0.652 0.991 -7.179 1.00 0.42 H new ATOM 141 N ALA A 10 -3.203 2.734 -5.640 1.00 0.42 N ATOM 142 CA ALA A 10 -4.338 3.641 -5.686 1.00 0.45 C ATOM 143 C ALA A 10 -3.831 5.084 -5.718 1.00 0.46 C ATOM 144 O ALA A 10 -4.356 5.946 -5.015 1.00 0.50 O ATOM 145 CB ALA A 10 -5.255 3.372 -4.491 1.00 0.51 C ATOM 0 H ALA A 10 -2.291 3.190 -5.667 1.00 0.42 H new ATOM 0 HA ALA A 10 -4.924 3.477 -6.590 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -6.106 4.052 -4.525 1.00 0.51 H new ATOM 0 HB2 ALA A 10 -5.611 2.343 -4.530 1.00 0.51 H new ATOM 0 HB3 ALA A 10 -4.702 3.530 -3.565 1.00 0.51 H new ATOM 151 N GLU A 11 -2.818 5.303 -6.544 1.00 0.50 N ATOM 152 CA GLU A 11 -2.235 6.627 -6.678 1.00 0.59 C ATOM 153 C GLU A 11 -3.334 7.691 -6.704 1.00 0.60 C ATOM 154 O GLU A 11 -4.033 7.842 -7.704 1.00 0.62 O ATOM 155 CB GLU A 11 -1.356 6.715 -7.926 1.00 0.69 C ATOM 156 CG GLU A 11 0.124 6.813 -7.550 1.00 0.79 C ATOM 157 CD GLU A 11 0.985 5.972 -8.494 1.00 1.40 C ATOM 158 OE1 GLU A 11 0.757 4.761 -8.629 1.00 2.62 O ATOM 159 OE2 GLU A 11 1.922 6.620 -9.100 1.00 1.86 O ATOM 0 H GLU A 11 -2.386 4.586 -7.127 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.599 6.812 -5.813 1.00 0.59 H new ATOM 0 HB2 GLU A 11 -1.518 5.837 -8.552 1.00 0.69 H new ATOM 0 HB3 GLU A 11 -1.643 7.585 -8.516 1.00 0.69 H new ATOM 0 HG2 GLU A 11 0.445 7.854 -7.589 1.00 0.79 H new ATOM 0 HG3 GLU A 11 0.266 6.474 -6.524 1.00 0.79 H new ATOM 166 N GLY A 12 -3.453 8.401 -5.592 1.00 0.63 N ATOM 167 CA GLY A 12 -4.455 9.447 -5.475 1.00 0.66 C ATOM 168 C GLY A 12 -5.783 9.005 -6.094 1.00 0.64 C ATOM 169 O GLY A 12 -6.461 9.796 -6.747 1.00 0.74 O ATOM 0 H GLY A 12 -2.872 8.273 -4.764 1.00 0.63 H new ATOM 0 HA2 GLY A 12 -4.604 9.697 -4.425 1.00 0.66 H new ATOM 0 HA3 GLY A 12 -4.102 10.351 -5.970 1.00 0.66 H new ATOM 173 N SER A 13 -6.114 7.742 -5.867 1.00 0.60 N ATOM 174 CA SER A 13 -7.348 7.186 -6.395 1.00 0.64 C ATOM 175 C SER A 13 -8.546 7.755 -5.633 1.00 0.59 C ATOM 176 O SER A 13 -8.874 7.287 -4.544 1.00 0.62 O ATOM 177 CB SER A 13 -7.343 5.658 -6.311 1.00 0.82 C ATOM 178 OG SER A 13 -8.662 5.119 -6.332 1.00 2.30 O ATOM 0 H SER A 13 -5.549 7.088 -5.325 1.00 0.60 H new ATOM 0 HA SER A 13 -7.428 7.465 -7.446 1.00 0.64 H new ATOM 0 HB2 SER A 13 -6.771 5.251 -7.145 1.00 0.82 H new ATOM 0 HB3 SER A 13 -6.838 5.347 -5.396 1.00 0.82 H new ATOM 0 HG SER A 13 -8.617 4.142 -6.278 1.00 2.30 H new ATOM 184 N GLU A 14 -9.168 8.759 -6.235 1.00 0.65 N ATOM 185 CA GLU A 14 -10.322 9.398 -5.627 1.00 0.79 C ATOM 186 C GLU A 14 -11.594 9.036 -6.397 1.00 0.87 C ATOM 187 O GLU A 14 -11.670 9.234 -7.608 1.00 0.92 O ATOM 188 CB GLU A 14 -10.137 10.915 -5.558 1.00 1.04 C ATOM 189 CG GLU A 14 -8.749 11.273 -5.020 1.00 1.12 C ATOM 190 CD GLU A 14 -8.361 12.700 -5.413 1.00 1.41 C ATOM 191 OE1 GLU A 14 -9.238 13.515 -5.736 1.00 1.39 O ATOM 192 OE2 GLU A 14 -7.097 12.952 -5.372 1.00 2.19 O ATOM 0 H GLU A 14 -8.894 9.145 -7.138 1.00 0.65 H new ATOM 0 HA GLU A 14 -10.420 9.031 -4.605 1.00 0.79 H new ATOM 0 HB2 GLU A 14 -10.269 11.347 -6.550 1.00 1.04 H new ATOM 0 HB3 GLU A 14 -10.903 11.350 -4.916 1.00 1.04 H new ATOM 0 HG2 GLU A 14 -8.739 11.175 -3.934 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -8.012 10.571 -5.410 1.00 1.12 H new ATOM 199 N GLY A 15 -12.563 8.511 -5.660 1.00 0.95 N ATOM 200 CA GLY A 15 -13.829 8.120 -6.258 1.00 1.14 C ATOM 201 C GLY A 15 -14.364 6.837 -5.619 1.00 0.88 C ATOM 202 O GLY A 15 -15.547 6.746 -5.296 1.00 0.74 O ATOM 0 H GLY A 15 -12.497 8.348 -4.655 1.00 0.95 H new ATOM 0 HA2 GLY A 15 -14.556 8.922 -6.135 1.00 1.14 H new ATOM 0 HA3 GLY A 15 -13.698 7.970 -7.330 1.00 1.14 H new ATOM 206 N ALA A 16 -13.465 5.876 -5.455 1.00 1.05 N ATOM 207 CA ALA A 16 -13.831 4.603 -4.859 1.00 1.05 C ATOM 208 C ALA A 16 -12.564 3.798 -4.568 1.00 1.42 C ATOM 209 O ALA A 16 -11.521 4.034 -5.174 1.00 2.01 O ATOM 210 CB ALA A 16 -14.792 3.862 -5.792 1.00 1.20 C ATOM 0 H ALA A 16 -12.484 5.954 -5.725 1.00 1.05 H new ATOM 0 HA ALA A 16 -14.348 4.756 -3.912 1.00 1.05 H new ATOM 0 HB1 ALA A 16 -15.068 2.906 -5.346 1.00 1.20 H new ATOM 0 HB2 ALA A 16 -15.688 4.464 -5.944 1.00 1.20 H new ATOM 0 HB3 ALA A 16 -14.305 3.688 -6.752 1.00 1.20 H new ATOM 216 N ALA A 17 -12.696 2.863 -3.639 1.00 1.20 N ATOM 217 CA ALA A 17 -11.574 2.020 -3.259 1.00 1.50 C ATOM 218 C ALA A 17 -11.386 0.925 -4.310 1.00 1.21 C ATOM 219 O ALA A 17 -12.358 0.334 -4.778 1.00 1.11 O ATOM 220 CB ALA A 17 -11.813 1.451 -1.860 1.00 1.92 C ATOM 0 H ALA A 17 -13.563 2.670 -3.138 1.00 1.20 H new ATOM 0 HA ALA A 17 -10.653 2.602 -3.221 1.00 1.50 H new ATOM 0 HB1 ALA A 17 -10.972 0.819 -1.576 1.00 1.92 H new ATOM 0 HB2 ALA A 17 -11.910 2.269 -1.146 1.00 1.92 H new ATOM 0 HB3 ALA A 17 -12.728 0.859 -1.860 1.00 1.92 H new ATOM 226 N PRO A 18 -10.094 0.679 -4.660 1.00 1.15 N ATOM 227 CA PRO A 18 -9.766 -0.336 -5.646 1.00 0.93 C ATOM 228 C PRO A 18 -9.909 -1.740 -5.058 1.00 0.87 C ATOM 229 O PRO A 18 -9.856 -1.915 -3.841 1.00 1.37 O ATOM 230 CB PRO A 18 -8.344 -0.016 -6.081 1.00 1.05 C ATOM 231 CG PRO A 18 -7.766 0.875 -4.994 1.00 1.30 C ATOM 232 CD PRO A 18 -8.917 1.359 -4.127 1.00 1.37 C ATOM 0 HA PRO A 18 -10.443 -0.326 -6.501 1.00 0.93 H new ATOM 0 HB2 PRO A 18 -7.756 -0.927 -6.193 1.00 1.05 H new ATOM 0 HB3 PRO A 18 -8.335 0.490 -7.046 1.00 1.05 H new ATOM 0 HG2 PRO A 18 -7.042 0.324 -4.394 1.00 1.30 H new ATOM 0 HG3 PRO A 18 -7.238 1.721 -5.434 1.00 1.30 H new ATOM 0 HD2 PRO A 18 -8.756 1.108 -3.079 1.00 1.37 H new ATOM 0 HD3 PRO A 18 -9.026 2.442 -4.183 1.00 1.37 H new ATOM 240 N ALA A 19 -10.089 -2.704 -5.948 1.00 0.56 N ATOM 241 CA ALA A 19 -10.240 -4.088 -5.531 1.00 0.62 C ATOM 242 C ALA A 19 -9.042 -4.492 -4.670 1.00 0.60 C ATOM 243 O ALA A 19 -9.211 -4.971 -3.550 1.00 0.67 O ATOM 244 CB ALA A 19 -10.397 -4.979 -6.766 1.00 0.76 C ATOM 0 H ALA A 19 -10.134 -2.555 -6.956 1.00 0.56 H new ATOM 0 HA ALA A 19 -11.137 -4.209 -4.924 1.00 0.62 H new ATOM 0 HB1 ALA A 19 -10.510 -6.017 -6.454 1.00 0.76 H new ATOM 0 HB2 ALA A 19 -11.279 -4.671 -7.327 1.00 0.76 H new ATOM 0 HB3 ALA A 19 -9.514 -4.884 -7.398 1.00 0.76 H new ATOM 250 N LYS A 20 -7.858 -4.282 -5.226 1.00 0.55 N ATOM 251 CA LYS A 20 -6.631 -4.617 -4.522 1.00 0.56 C ATOM 252 C LYS A 20 -5.489 -3.749 -5.053 1.00 0.48 C ATOM 253 O LYS A 20 -5.554 -3.251 -6.176 1.00 0.51 O ATOM 254 CB LYS A 20 -6.354 -6.120 -4.615 1.00 0.69 C ATOM 255 CG LYS A 20 -6.037 -6.531 -6.054 1.00 0.77 C ATOM 256 CD LYS A 20 -7.272 -7.119 -6.741 1.00 1.55 C ATOM 257 CE LYS A 20 -7.554 -6.406 -8.065 1.00 2.28 C ATOM 258 NZ LYS A 20 -8.259 -7.311 -9.001 1.00 2.85 N ATOM 0 H LYS A 20 -7.722 -3.884 -6.155 1.00 0.55 H new ATOM 0 HA LYS A 20 -6.731 -4.398 -3.459 1.00 0.56 H new ATOM 0 HB2 LYS A 20 -5.518 -6.380 -3.966 1.00 0.69 H new ATOM 0 HB3 LYS A 20 -7.220 -6.676 -4.257 1.00 0.69 H new ATOM 0 HG2 LYS A 20 -5.683 -5.665 -6.614 1.00 0.77 H new ATOM 0 HG3 LYS A 20 -5.231 -7.264 -6.057 1.00 0.77 H new ATOM 0 HD2 LYS A 20 -7.120 -8.183 -6.922 1.00 1.55 H new ATOM 0 HD3 LYS A 20 -8.136 -7.028 -6.083 1.00 1.55 H new ATOM 0 HE2 LYS A 20 -8.158 -5.517 -7.885 1.00 2.28 H new ATOM 0 HE3 LYS A 20 -6.618 -6.070 -8.511 1.00 2.28 H new ATOM 0 HZ1 LYS A 20 -8.443 -6.812 -9.895 1.00 2.85 H new ATOM 0 HZ2 LYS A 20 -7.669 -8.147 -9.187 1.00 2.85 H new ATOM 0 HZ3 LYS A 20 -9.161 -7.611 -8.580 1.00 2.85 H new ATOM 272 N ILE A 21 -4.471 -3.592 -4.220 1.00 0.44 N ATOM 273 CA ILE A 21 -3.316 -2.791 -4.592 1.00 0.40 C ATOM 274 C ILE A 21 -2.328 -3.660 -5.371 1.00 0.38 C ATOM 275 O ILE A 21 -2.150 -4.837 -5.059 1.00 0.38 O ATOM 276 CB ILE A 21 -2.708 -2.123 -3.358 1.00 0.41 C ATOM 277 CG1 ILE A 21 -3.388 -0.784 -3.067 1.00 0.47 C ATOM 278 CG2 ILE A 21 -1.192 -1.977 -3.505 1.00 0.40 C ATOM 279 CD1 ILE A 21 -4.090 -0.809 -1.708 1.00 0.60 C ATOM 0 H ILE A 21 -4.421 -4.005 -3.289 1.00 0.44 H new ATOM 0 HA ILE A 21 -3.614 -1.977 -5.252 1.00 0.40 H new ATOM 0 HB ILE A 21 -2.887 -2.768 -2.498 1.00 0.41 H new ATOM 0 HG12 ILE A 21 -2.647 0.015 -3.083 1.00 0.47 H new ATOM 0 HG13 ILE A 21 -4.113 -0.562 -3.851 1.00 0.47 H new ATOM 0 HG21 ILE A 21 -0.784 -1.499 -2.614 1.00 0.40 H new ATOM 0 HG22 ILE A 21 -0.742 -2.962 -3.627 1.00 0.40 H new ATOM 0 HG23 ILE A 21 -0.968 -1.365 -4.379 1.00 0.40 H new ATOM 0 HD11 ILE A 21 -4.565 0.155 -1.526 1.00 0.60 H new ATOM 0 HD12 ILE A 21 -4.847 -1.593 -1.704 1.00 0.60 H new ATOM 0 HD13 ILE A 21 -3.359 -1.007 -0.924 1.00 0.60 H new ATOM 291 N GLU A 22 -1.710 -3.047 -6.371 1.00 0.39 N ATOM 292 CA GLU A 22 -0.744 -3.750 -7.197 1.00 0.42 C ATOM 293 C GLU A 22 0.642 -3.119 -7.048 1.00 0.40 C ATOM 294 O GLU A 22 0.757 -1.919 -6.799 1.00 0.38 O ATOM 295 CB GLU A 22 -1.184 -3.766 -8.662 1.00 0.48 C ATOM 296 CG GLU A 22 -1.398 -5.199 -9.155 1.00 0.68 C ATOM 297 CD GLU A 22 -1.576 -5.236 -10.674 1.00 1.17 C ATOM 298 OE1 GLU A 22 -2.701 -4.771 -11.103 1.00 2.44 O ATOM 299 OE2 GLU A 22 -0.674 -5.691 -11.393 1.00 2.03 O ATOM 0 H GLU A 22 -1.860 -2.071 -6.627 1.00 0.39 H new ATOM 0 HA GLU A 22 -0.689 -4.784 -6.857 1.00 0.42 H new ATOM 0 HB2 GLU A 22 -2.107 -3.197 -8.774 1.00 0.48 H new ATOM 0 HB3 GLU A 22 -0.430 -3.275 -9.277 1.00 0.48 H new ATOM 0 HG2 GLU A 22 -0.546 -5.816 -8.870 1.00 0.68 H new ATOM 0 HG3 GLU A 22 -2.277 -5.626 -8.672 1.00 0.68 H new ATOM 306 N LEU A 23 1.658 -3.953 -7.207 1.00 0.44 N ATOM 307 CA LEU A 23 3.032 -3.492 -7.094 1.00 0.47 C ATOM 308 C LEU A 23 3.917 -4.304 -8.039 1.00 0.54 C ATOM 309 O LEU A 23 3.694 -5.498 -8.233 1.00 0.56 O ATOM 310 CB LEU A 23 3.490 -3.530 -5.635 1.00 0.48 C ATOM 311 CG LEU A 23 2.608 -2.782 -4.634 1.00 0.46 C ATOM 312 CD1 LEU A 23 2.821 -3.309 -3.213 1.00 0.52 C ATOM 313 CD2 LEU A 23 2.836 -1.271 -4.725 1.00 0.47 C ATOM 0 H LEU A 23 1.558 -4.947 -7.413 1.00 0.44 H new ATOM 0 HA LEU A 23 3.112 -2.449 -7.402 1.00 0.47 H new ATOM 0 HB2 LEU A 23 3.556 -4.572 -5.323 1.00 0.48 H new ATOM 0 HB3 LEU A 23 4.497 -3.117 -5.581 1.00 0.48 H new ATOM 0 HG LEU A 23 1.565 -2.967 -4.893 1.00 0.46 H new ATOM 0 HD11 LEU A 23 2.182 -2.760 -2.522 1.00 0.52 H new ATOM 0 HD12 LEU A 23 2.569 -4.369 -3.176 1.00 0.52 H new ATOM 0 HD13 LEU A 23 3.864 -3.174 -2.928 1.00 0.52 H new ATOM 0 HD21 LEU A 23 2.197 -0.762 -4.003 1.00 0.47 H new ATOM 0 HD22 LEU A 23 3.880 -1.047 -4.507 1.00 0.47 H new ATOM 0 HD23 LEU A 23 2.593 -0.926 -5.730 1.00 0.47 H new ATOM 325 N HIS A 24 4.906 -3.624 -8.603 1.00 0.61 N ATOM 326 CA HIS A 24 5.827 -4.268 -9.523 1.00 0.70 C ATOM 327 C HIS A 24 7.262 -3.859 -9.184 1.00 0.79 C ATOM 328 O HIS A 24 7.484 -2.820 -8.564 1.00 0.79 O ATOM 329 CB HIS A 24 5.450 -3.961 -10.974 1.00 0.71 C ATOM 330 CG HIS A 24 4.291 -4.777 -11.494 1.00 0.68 C ATOM 331 ND1 HIS A 24 4.451 -6.036 -12.049 1.00 0.80 N ATOM 332 CD2 HIS A 24 2.956 -4.504 -11.536 1.00 0.64 C ATOM 333 CE1 HIS A 24 3.258 -6.489 -12.407 1.00 0.79 C ATOM 334 NE2 HIS A 24 2.333 -5.538 -12.089 1.00 0.69 N ATOM 0 H HIS A 24 5.089 -2.634 -8.440 1.00 0.61 H new ATOM 0 HA HIS A 24 5.759 -5.350 -9.412 1.00 0.70 H new ATOM 0 HB2 HIS A 24 5.202 -2.903 -11.058 1.00 0.71 H new ATOM 0 HB3 HIS A 24 6.318 -4.137 -11.609 1.00 0.71 H new ATOM 0 HD1 HIS A 24 5.336 -6.530 -12.163 1.00 0.80 H new ATOM 0 HD2 HIS A 24 2.485 -3.600 -11.180 1.00 0.64 H new ATOM 0 HE1 HIS A 24 3.054 -7.443 -12.869 1.00 0.79 H new ATOM 342 N PHE A 25 8.198 -4.696 -9.606 1.00 0.90 N ATOM 343 CA PHE A 25 9.605 -4.435 -9.354 1.00 1.00 C ATOM 344 C PHE A 25 10.487 -5.134 -10.391 1.00 1.11 C ATOM 345 O PHE A 25 10.622 -6.357 -10.372 1.00 1.25 O ATOM 346 CB PHE A 25 9.923 -4.997 -7.968 1.00 1.06 C ATOM 347 CG PHE A 25 9.727 -3.995 -6.829 1.00 0.98 C ATOM 348 CD1 PHE A 25 10.707 -3.100 -6.533 1.00 2.12 C ATOM 349 CD2 PHE A 25 8.571 -3.998 -6.112 1.00 1.83 C ATOM 350 CE1 PHE A 25 10.524 -2.169 -5.476 1.00 2.49 C ATOM 351 CE2 PHE A 25 8.387 -3.068 -5.055 1.00 1.72 C ATOM 352 CZ PHE A 25 9.368 -2.173 -4.760 1.00 1.49 C ATOM 0 H PHE A 25 8.010 -5.556 -10.121 1.00 0.90 H new ATOM 0 HA PHE A 25 9.801 -3.364 -9.413 1.00 1.00 H new ATOM 0 HB2 PHE A 25 9.291 -5.866 -7.786 1.00 1.06 H new ATOM 0 HB3 PHE A 25 10.956 -5.346 -7.957 1.00 1.06 H new ATOM 0 HD1 PHE A 25 11.625 -3.097 -7.102 1.00 2.12 H new ATOM 0 HD2 PHE A 25 7.792 -4.709 -6.347 1.00 1.83 H new ATOM 0 HE1 PHE A 25 11.303 -1.458 -5.241 1.00 2.49 H new ATOM 0 HE2 PHE A 25 7.469 -3.071 -4.486 1.00 1.72 H new ATOM 0 HZ PHE A 25 9.229 -1.465 -3.956 1.00 1.49 H new ATOM 362 N SER A 26 11.063 -4.328 -11.271 1.00 1.17 N ATOM 363 CA SER A 26 11.928 -4.855 -12.312 1.00 1.30 C ATOM 364 C SER A 26 13.229 -5.375 -11.699 1.00 1.35 C ATOM 365 O SER A 26 14.049 -5.977 -12.392 1.00 1.45 O ATOM 366 CB SER A 26 12.228 -3.789 -13.369 1.00 1.47 C ATOM 367 OG SER A 26 12.109 -4.302 -14.693 1.00 2.18 O ATOM 0 H SER A 26 10.947 -3.315 -11.284 1.00 1.17 H new ATOM 0 HA SER A 26 11.411 -5.680 -12.802 1.00 1.30 H new ATOM 0 HB2 SER A 26 11.544 -2.950 -13.242 1.00 1.47 H new ATOM 0 HB3 SER A 26 13.236 -3.403 -13.219 1.00 1.47 H new ATOM 0 HG SER A 26 12.306 -3.591 -15.338 1.00 2.18 H new ATOM 373 N GLU A 27 13.379 -5.124 -10.407 1.00 1.36 N ATOM 374 CA GLU A 27 14.567 -5.560 -9.693 1.00 1.55 C ATOM 375 C GLU A 27 14.188 -6.537 -8.579 1.00 1.92 C ATOM 376 O GLU A 27 14.454 -6.281 -7.405 1.00 2.18 O ATOM 377 CB GLU A 27 15.340 -4.364 -9.133 1.00 1.57 C ATOM 378 CG GLU A 27 14.433 -3.476 -8.279 1.00 3.09 C ATOM 379 CD GLU A 27 15.167 -2.983 -7.030 1.00 3.89 C ATOM 380 OE1 GLU A 27 15.250 -3.778 -6.070 1.00 4.77 O ATOM 381 OE2 GLU A 27 15.627 -1.822 -7.065 1.00 4.35 O ATOM 0 H GLU A 27 12.698 -4.624 -9.836 1.00 1.36 H new ATOM 0 HA GLU A 27 15.220 -6.076 -10.396 1.00 1.55 H new ATOM 0 HB2 GLU A 27 16.179 -4.717 -8.533 1.00 1.57 H new ATOM 0 HB3 GLU A 27 15.758 -3.781 -9.953 1.00 1.57 H new ATOM 0 HG2 GLU A 27 14.095 -2.623 -8.867 1.00 3.09 H new ATOM 0 HG3 GLU A 27 13.543 -4.034 -7.986 1.00 3.09 H new ATOM 388 N ASN A 28 13.571 -7.638 -8.985 1.00 2.68 N ATOM 389 CA ASN A 28 13.153 -8.655 -8.035 1.00 3.27 C ATOM 390 C ASN A 28 14.236 -8.828 -6.969 1.00 2.87 C ATOM 391 O ASN A 28 15.416 -8.958 -7.293 1.00 4.16 O ATOM 392 CB ASN A 28 12.952 -10.005 -8.727 1.00 4.90 C ATOM 393 CG ASN A 28 12.308 -11.018 -7.778 1.00 5.30 C ATOM 394 OD1 ASN A 28 11.111 -11.252 -7.797 1.00 6.65 O ATOM 395 ND2 ASN A 28 13.167 -11.604 -6.949 1.00 4.53 N ATOM 0 H ASN A 28 13.351 -7.847 -9.959 1.00 2.68 H new ATOM 0 HA ASN A 28 12.212 -8.333 -7.590 1.00 3.27 H new ATOM 0 HB2 ASN A 28 12.323 -9.876 -9.608 1.00 4.90 H new ATOM 0 HB3 ASN A 28 13.912 -10.386 -9.074 1.00 4.90 H new ATOM 0 HD21 ASN A 28 12.836 -12.296 -6.276 1.00 4.53 H new ATOM 0 HD22 ASN A 28 14.157 -11.362 -6.986 1.00 4.53 H new ATOM 402 N LEU A 29 13.796 -8.825 -5.719 1.00 1.83 N ATOM 403 CA LEU A 29 14.714 -8.980 -4.604 1.00 2.75 C ATOM 404 C LEU A 29 13.952 -9.526 -3.394 1.00 2.16 C ATOM 405 O LEU A 29 14.360 -9.318 -2.253 1.00 2.84 O ATOM 406 CB LEU A 29 15.447 -7.666 -4.326 1.00 4.09 C ATOM 407 CG LEU A 29 16.724 -7.774 -3.489 1.00 5.41 C ATOM 408 CD1 LEU A 29 17.968 -7.726 -4.379 1.00 6.69 C ATOM 409 CD2 LEU A 29 16.757 -6.702 -2.399 1.00 5.93 C ATOM 0 H LEU A 29 12.817 -8.718 -5.454 1.00 1.83 H new ATOM 0 HA LEU A 29 15.490 -9.706 -4.848 1.00 2.75 H new ATOM 0 HB2 LEU A 29 15.700 -7.205 -5.281 1.00 4.09 H new ATOM 0 HB3 LEU A 29 14.759 -6.990 -3.818 1.00 4.09 H new ATOM 0 HG LEU A 29 16.724 -8.742 -2.988 1.00 5.41 H new ATOM 0 HD11 LEU A 29 18.862 -7.805 -3.760 1.00 6.69 H new ATOM 0 HD12 LEU A 29 17.942 -8.556 -5.086 1.00 6.69 H new ATOM 0 HD13 LEU A 29 17.988 -6.784 -4.926 1.00 6.69 H new ATOM 0 HD21 LEU A 29 17.674 -6.801 -1.819 1.00 5.93 H new ATOM 0 HD22 LEU A 29 16.723 -5.714 -2.859 1.00 5.93 H new ATOM 0 HD23 LEU A 29 15.897 -6.825 -1.741 1.00 5.93 H new ATOM 421 N VAL A 30 12.857 -10.214 -3.686 1.00 2.25 N ATOM 422 CA VAL A 30 12.034 -10.791 -2.637 1.00 2.75 C ATOM 423 C VAL A 30 11.608 -9.689 -1.665 1.00 2.31 C ATOM 424 O VAL A 30 12.159 -8.590 -1.687 1.00 2.66 O ATOM 425 CB VAL A 30 12.785 -11.935 -1.952 1.00 3.82 C ATOM 426 CG1 VAL A 30 12.685 -11.823 -0.429 1.00 3.84 C ATOM 427 CG2 VAL A 30 12.276 -13.294 -2.437 1.00 5.47 C ATOM 0 H VAL A 30 12.521 -10.384 -4.634 1.00 2.25 H new ATOM 0 HA VAL A 30 11.126 -11.222 -3.058 1.00 2.75 H new ATOM 0 HB VAL A 30 13.837 -11.855 -2.225 1.00 3.82 H new ATOM 0 HG11 VAL A 30 13.227 -12.648 0.033 1.00 3.84 H new ATOM 0 HG12 VAL A 30 13.119 -10.877 -0.104 1.00 3.84 H new ATOM 0 HG13 VAL A 30 11.638 -11.864 -0.129 1.00 3.84 H new ATOM 0 HG21 VAL A 30 12.827 -14.089 -1.934 1.00 5.47 H new ATOM 0 HG22 VAL A 30 11.214 -13.387 -2.209 1.00 5.47 H new ATOM 0 HG23 VAL A 30 12.424 -13.375 -3.514 1.00 5.47 H new ATOM 437 N THR A 31 10.630 -10.022 -0.835 1.00 2.68 N ATOM 438 CA THR A 31 10.123 -9.074 0.143 1.00 3.52 C ATOM 439 C THR A 31 11.045 -9.024 1.364 1.00 3.23 C ATOM 440 O THR A 31 10.585 -9.141 2.498 1.00 4.20 O ATOM 441 CB THR A 31 8.686 -9.470 0.484 1.00 4.83 C ATOM 442 OG1 THR A 31 8.218 -8.404 1.306 1.00 5.88 O ATOM 443 CG2 THR A 31 8.615 -10.700 1.391 1.00 5.28 C ATOM 0 H THR A 31 10.175 -10.935 -0.820 1.00 2.68 H new ATOM 0 HA THR A 31 10.110 -8.061 -0.258 1.00 3.52 H new ATOM 0 HB THR A 31 8.137 -9.667 -0.436 1.00 4.83 H new ATOM 0 HG1 THR A 31 8.830 -8.281 2.062 1.00 5.88 H new ATOM 0 HG21 THR A 31 7.572 -10.937 1.602 1.00 5.28 H new ATOM 0 HG22 THR A 31 9.086 -11.547 0.893 1.00 5.28 H new ATOM 0 HG23 THR A 31 9.136 -10.493 2.326 1.00 5.28 H new ATOM 451 N GLN A 32 12.329 -8.848 1.089 1.00 2.51 N ATOM 452 CA GLN A 32 13.320 -8.781 2.150 1.00 2.58 C ATOM 453 C GLN A 32 12.763 -8.003 3.346 1.00 2.17 C ATOM 454 O GLN A 32 12.850 -6.778 3.388 1.00 3.29 O ATOM 455 CB GLN A 32 14.621 -8.154 1.647 1.00 2.95 C ATOM 456 CG GLN A 32 15.743 -9.193 1.591 1.00 3.98 C ATOM 457 CD GLN A 32 15.263 -10.484 0.927 1.00 4.70 C ATOM 458 OE1 GLN A 32 15.192 -10.601 -0.286 1.00 5.82 O ATOM 459 NE2 GLN A 32 14.938 -11.446 1.787 1.00 4.52 N ATOM 0 H GLN A 32 12.706 -8.750 0.146 1.00 2.51 H new ATOM 0 HA GLN A 32 13.547 -9.797 2.474 1.00 2.58 H new ATOM 0 HB2 GLN A 32 14.465 -7.728 0.656 1.00 2.95 H new ATOM 0 HB3 GLN A 32 14.912 -7.334 2.304 1.00 2.95 H new ATOM 0 HG2 GLN A 32 16.590 -8.789 1.037 1.00 3.98 H new ATOM 0 HG3 GLN A 32 16.095 -9.408 2.600 1.00 3.98 H new ATOM 0 HE21 GLN A 32 15.021 -11.282 2.790 1.00 4.52 H new ATOM 0 HE22 GLN A 32 14.606 -12.347 1.443 1.00 4.52 H new ATOM 468 N PHE A 33 12.205 -8.749 4.287 1.00 2.23 N ATOM 469 CA PHE A 33 11.635 -8.147 5.480 1.00 2.38 C ATOM 470 C PHE A 33 10.906 -6.845 5.141 1.00 1.89 C ATOM 471 O PHE A 33 10.818 -5.943 5.973 1.00 2.29 O ATOM 472 CB PHE A 33 12.800 -7.834 6.423 1.00 3.13 C ATOM 473 CG PHE A 33 13.364 -9.061 7.142 1.00 3.78 C ATOM 474 CD1 PHE A 33 12.810 -9.477 8.313 1.00 4.38 C ATOM 475 CD2 PHE A 33 14.419 -9.735 6.611 1.00 4.48 C ATOM 476 CE1 PHE A 33 13.334 -10.615 8.981 1.00 4.96 C ATOM 477 CE2 PHE A 33 14.944 -10.873 7.279 1.00 5.15 C ATOM 478 CZ PHE A 33 14.390 -11.289 8.450 1.00 5.10 C ATOM 0 H PHE A 33 12.135 -9.766 4.248 1.00 2.23 H new ATOM 0 HA PHE A 33 10.915 -8.828 5.934 1.00 2.38 H new ATOM 0 HB2 PHE A 33 13.599 -7.361 5.852 1.00 3.13 H new ATOM 0 HB3 PHE A 33 12.468 -7.110 7.167 1.00 3.13 H new ATOM 0 HD1 PHE A 33 11.972 -8.942 8.734 1.00 4.38 H new ATOM 0 HD2 PHE A 33 14.858 -9.405 5.681 1.00 4.48 H new ATOM 0 HE1 PHE A 33 12.894 -10.946 9.910 1.00 4.96 H new ATOM 0 HE2 PHE A 33 15.782 -11.408 6.858 1.00 5.15 H new ATOM 0 HZ PHE A 33 14.789 -12.155 8.958 1.00 5.10 H new ATOM 488 N SER A 34 10.401 -6.788 3.918 1.00 1.25 N ATOM 489 CA SER A 34 9.682 -5.613 3.458 1.00 0.99 C ATOM 490 C SER A 34 8.180 -5.905 3.405 1.00 0.70 C ATOM 491 O SER A 34 7.756 -7.032 3.649 1.00 0.91 O ATOM 492 CB SER A 34 10.183 -5.162 2.085 1.00 1.07 C ATOM 493 OG SER A 34 9.342 -5.622 1.031 1.00 1.28 O ATOM 0 H SER A 34 10.476 -7.538 3.231 1.00 1.25 H new ATOM 0 HA SER A 34 9.864 -4.803 4.165 1.00 0.99 H new ATOM 0 HB2 SER A 34 10.235 -4.074 2.058 1.00 1.07 H new ATOM 0 HB3 SER A 34 11.196 -5.534 1.929 1.00 1.07 H new ATOM 0 HG SER A 34 9.156 -6.576 1.154 1.00 1.28 H new ATOM 499 N GLY A 35 7.420 -4.869 3.084 1.00 0.58 N ATOM 500 CA GLY A 35 5.975 -5.000 2.996 1.00 0.67 C ATOM 501 C GLY A 35 5.302 -3.627 2.942 1.00 0.67 C ATOM 502 O GLY A 35 5.947 -2.628 2.628 1.00 0.88 O ATOM 0 H GLY A 35 7.777 -3.935 2.882 1.00 0.58 H new ATOM 0 HA2 GLY A 35 5.712 -5.573 2.107 1.00 0.67 H new ATOM 0 HA3 GLY A 35 5.604 -5.557 3.856 1.00 0.67 H new ATOM 506 N ALA A 36 4.015 -3.623 3.254 1.00 0.59 N ATOM 507 CA ALA A 36 3.247 -2.389 3.245 1.00 0.71 C ATOM 508 C ALA A 36 2.214 -2.427 4.374 1.00 0.76 C ATOM 509 O ALA A 36 2.063 -3.446 5.046 1.00 0.85 O ATOM 510 CB ALA A 36 2.601 -2.199 1.870 1.00 0.86 C ATOM 0 H ALA A 36 3.484 -4.454 3.515 1.00 0.59 H new ATOM 0 HA ALA A 36 3.897 -1.532 3.421 1.00 0.71 H new ATOM 0 HB1 ALA A 36 2.025 -1.274 1.863 1.00 0.86 H new ATOM 0 HB2 ALA A 36 3.378 -2.149 1.107 1.00 0.86 H new ATOM 0 HB3 ALA A 36 1.940 -3.039 1.659 1.00 0.86 H new ATOM 516 N LYS A 37 1.531 -1.306 4.545 1.00 0.73 N ATOM 517 CA LYS A 37 0.517 -1.198 5.580 1.00 0.79 C ATOM 518 C LYS A 37 -0.516 -0.148 5.170 1.00 0.71 C ATOM 519 O LYS A 37 -0.159 0.985 4.845 1.00 0.68 O ATOM 520 CB LYS A 37 1.165 -0.926 6.939 1.00 0.92 C ATOM 521 CG LYS A 37 1.473 -2.233 7.672 1.00 1.16 C ATOM 522 CD LYS A 37 1.082 -2.139 9.148 1.00 1.37 C ATOM 523 CE LYS A 37 0.386 -3.420 9.614 1.00 1.80 C ATOM 524 NZ LYS A 37 1.110 -4.015 10.759 1.00 2.23 N ATOM 0 H LYS A 37 1.659 -0.464 3.984 1.00 0.73 H new ATOM 0 HA LYS A 37 -0.016 -2.142 5.690 1.00 0.79 H new ATOM 0 HB2 LYS A 37 2.085 -0.358 6.800 1.00 0.92 H new ATOM 0 HB3 LYS A 37 0.500 -0.312 7.547 1.00 0.92 H new ATOM 0 HG2 LYS A 37 0.933 -3.054 7.201 1.00 1.16 H new ATOM 0 HG3 LYS A 37 2.536 -2.460 7.587 1.00 1.16 H new ATOM 0 HD2 LYS A 37 1.972 -1.964 9.753 1.00 1.37 H new ATOM 0 HD3 LYS A 37 0.420 -1.286 9.299 1.00 1.37 H new ATOM 0 HE2 LYS A 37 -0.642 -3.199 9.901 1.00 1.80 H new ATOM 0 HE3 LYS A 37 0.341 -4.136 8.793 1.00 1.80 H new ATOM 0 HZ1 LYS A 37 0.625 -4.883 11.063 1.00 2.23 H new ATOM 0 HZ2 LYS A 37 2.083 -4.244 10.473 1.00 2.23 H new ATOM 0 HZ3 LYS A 37 1.131 -3.336 11.547 1.00 2.23 H new ATOM 538 N LEU A 38 -1.775 -0.558 5.198 1.00 0.71 N ATOM 539 CA LEU A 38 -2.862 0.334 4.833 1.00 0.64 C ATOM 540 C LEU A 38 -3.436 0.976 6.097 1.00 0.69 C ATOM 541 O LEU A 38 -3.724 0.284 7.073 1.00 0.75 O ATOM 542 CB LEU A 38 -3.904 -0.406 3.992 1.00 0.64 C ATOM 543 CG LEU A 38 -5.293 0.233 3.929 1.00 0.61 C ATOM 544 CD1 LEU A 38 -5.233 1.606 3.257 1.00 0.50 C ATOM 545 CD2 LEU A 38 -6.294 -0.698 3.244 1.00 0.91 C ATOM 0 H LEU A 38 -2.067 -1.497 5.468 1.00 0.71 H new ATOM 0 HA LEU A 38 -2.494 1.144 4.203 1.00 0.64 H new ATOM 0 HB2 LEU A 38 -3.522 -0.498 2.975 1.00 0.64 H new ATOM 0 HB3 LEU A 38 -4.009 -1.417 4.386 1.00 0.64 H new ATOM 0 HG LEU A 38 -5.645 0.388 4.949 1.00 0.61 H new ATOM 0 HD11 LEU A 38 -6.233 2.039 3.225 1.00 0.50 H new ATOM 0 HD12 LEU A 38 -4.572 2.261 3.825 1.00 0.50 H new ATOM 0 HD13 LEU A 38 -4.851 1.498 2.242 1.00 0.50 H new ATOM 0 HD21 LEU A 38 -7.273 -0.220 3.212 1.00 0.91 H new ATOM 0 HD22 LEU A 38 -5.960 -0.908 2.228 1.00 0.91 H new ATOM 0 HD23 LEU A 38 -6.364 -1.631 3.803 1.00 0.91 H new ATOM 557 N VAL A 39 -3.586 2.290 6.040 1.00 0.71 N ATOM 558 CA VAL A 39 -4.120 3.034 7.169 1.00 0.78 C ATOM 559 C VAL A 39 -5.288 3.903 6.695 1.00 0.70 C ATOM 560 O VAL A 39 -5.214 4.523 5.635 1.00 0.63 O ATOM 561 CB VAL A 39 -3.007 3.841 7.839 1.00 0.87 C ATOM 562 CG1 VAL A 39 -1.904 2.921 8.366 1.00 0.87 C ATOM 563 CG2 VAL A 39 -2.437 4.888 6.880 1.00 0.92 C ATOM 0 H VAL A 39 -3.347 2.860 5.229 1.00 0.71 H new ATOM 0 HA VAL A 39 -4.508 2.352 7.926 1.00 0.78 H new ATOM 0 HB VAL A 39 -3.439 4.367 8.690 1.00 0.87 H new ATOM 0 HG11 VAL A 39 -1.125 3.520 8.838 1.00 0.87 H new ATOM 0 HG12 VAL A 39 -2.324 2.231 9.098 1.00 0.87 H new ATOM 0 HG13 VAL A 39 -1.476 2.355 7.538 1.00 0.87 H new ATOM 0 HG21 VAL A 39 -1.647 5.448 7.381 1.00 0.92 H new ATOM 0 HG22 VAL A 39 -2.028 4.391 6.000 1.00 0.92 H new ATOM 0 HG23 VAL A 39 -3.229 5.572 6.575 1.00 0.92 H new ATOM 573 N MET A 40 -6.338 3.920 7.503 1.00 0.75 N ATOM 574 CA MET A 40 -7.517 4.703 7.180 1.00 0.70 C ATOM 575 C MET A 40 -7.445 6.092 7.818 1.00 0.76 C ATOM 576 O MET A 40 -7.822 6.269 8.975 1.00 0.84 O ATOM 577 CB MET A 40 -8.766 3.976 7.682 1.00 0.74 C ATOM 578 CG MET A 40 -10.006 4.863 7.554 1.00 0.75 C ATOM 579 SD MET A 40 -10.651 5.249 9.173 1.00 1.41 S ATOM 580 CE MET A 40 -12.227 4.416 9.087 1.00 1.67 C ATOM 0 H MET A 40 -6.396 3.404 8.381 1.00 0.75 H new ATOM 0 HA MET A 40 -7.565 4.823 6.098 1.00 0.70 H new ATOM 0 HB2 MET A 40 -8.911 3.058 7.112 1.00 0.74 H new ATOM 0 HB3 MET A 40 -8.628 3.686 8.724 1.00 0.74 H new ATOM 0 HG2 MET A 40 -9.753 5.782 7.026 1.00 0.75 H new ATOM 0 HG3 MET A 40 -10.767 4.355 6.962 1.00 0.75 H new ATOM 0 HE1 MET A 40 -12.765 4.557 10.025 1.00 1.67 H new ATOM 0 HE2 MET A 40 -12.813 4.830 8.267 1.00 1.67 H new ATOM 0 HE3 MET A 40 -12.067 3.351 8.917 1.00 1.67 H new ATOM 590 N THR A 41 -6.958 7.044 7.034 1.00 0.75 N ATOM 591 CA THR A 41 -6.833 8.411 7.507 1.00 0.83 C ATOM 592 C THR A 41 -8.011 9.255 7.018 1.00 0.69 C ATOM 593 O THR A 41 -7.821 10.246 6.316 1.00 0.76 O ATOM 594 CB THR A 41 -5.473 8.946 7.052 1.00 1.05 C ATOM 595 OG1 THR A 41 -5.333 10.180 7.750 1.00 1.01 O ATOM 596 CG2 THR A 41 -5.466 9.349 5.576 1.00 1.22 C ATOM 0 H THR A 41 -6.646 6.894 6.075 1.00 0.75 H new ATOM 0 HA THR A 41 -6.870 8.457 8.595 1.00 0.83 H new ATOM 0 HB THR A 41 -4.709 8.188 7.225 1.00 1.05 H new ATOM 0 HG1 THR A 41 -5.853 10.147 8.580 1.00 1.01 H new ATOM 0 HG21 THR A 41 -4.478 9.721 5.305 1.00 1.22 H new ATOM 0 HG22 THR A 41 -5.708 8.482 4.961 1.00 1.22 H new ATOM 0 HG23 THR A 41 -6.207 10.131 5.409 1.00 1.22 H new ATOM 604 N ALA A 42 -9.204 8.833 7.411 1.00 0.66 N ATOM 605 CA ALA A 42 -10.414 9.537 7.022 1.00 0.73 C ATOM 606 C ALA A 42 -10.655 10.699 7.988 1.00 1.16 C ATOM 607 O ALA A 42 -9.772 11.058 8.766 1.00 2.33 O ATOM 608 CB ALA A 42 -11.587 8.556 6.986 1.00 0.88 C ATOM 0 H ALA A 42 -9.358 8.011 7.995 1.00 0.66 H new ATOM 0 HA ALA A 42 -10.309 9.956 6.021 1.00 0.73 H new ATOM 0 HB1 ALA A 42 -12.495 9.085 6.694 1.00 0.88 H new ATOM 0 HB2 ALA A 42 -11.379 7.766 6.264 1.00 0.88 H new ATOM 0 HB3 ALA A 42 -11.725 8.117 7.974 1.00 0.88 H new ATOM 614 N MET A 43 -11.855 11.255 7.906 1.00 1.63 N ATOM 615 CA MET A 43 -12.222 12.369 8.764 1.00 2.19 C ATOM 616 C MET A 43 -11.850 12.087 10.221 1.00 2.69 C ATOM 617 O MET A 43 -11.974 10.957 10.688 1.00 2.80 O ATOM 618 CB MET A 43 -13.729 12.617 8.660 1.00 2.57 C ATOM 619 CG MET A 43 -14.516 11.342 8.970 1.00 4.28 C ATOM 620 SD MET A 43 -16.212 11.528 8.441 1.00 5.15 S ATOM 621 CE MET A 43 -16.140 10.678 6.873 1.00 6.56 C ATOM 0 H MET A 43 -12.585 10.955 7.259 1.00 1.63 H new ATOM 0 HA MET A 43 -11.675 13.252 8.435 1.00 2.19 H new ATOM 0 HB2 MET A 43 -14.020 13.406 9.353 1.00 2.57 H new ATOM 0 HB3 MET A 43 -13.976 12.966 7.657 1.00 2.57 H new ATOM 0 HG2 MET A 43 -14.060 10.491 8.464 1.00 4.28 H new ATOM 0 HG3 MET A 43 -14.481 11.134 10.039 1.00 4.28 H new ATOM 0 HE1 MET A 43 -17.123 10.699 6.402 1.00 6.56 H new ATOM 0 HE2 MET A 43 -15.416 11.172 6.224 1.00 6.56 H new ATOM 0 HE3 MET A 43 -15.837 9.643 7.034 1.00 6.56 H new ATOM 631 N PRO A 44 -11.390 13.162 10.915 1.00 3.27 N ATOM 632 CA PRO A 44 -10.999 13.040 12.309 1.00 3.89 C ATOM 633 C PRO A 44 -12.226 12.937 13.216 1.00 4.64 C ATOM 634 O PRO A 44 -12.695 11.838 13.510 1.00 6.04 O ATOM 635 CB PRO A 44 -10.155 14.274 12.589 1.00 4.45 C ATOM 636 CG PRO A 44 -10.489 15.266 11.487 1.00 4.44 C ATOM 637 CD PRO A 44 -11.230 14.515 10.392 1.00 3.61 C ATOM 0 HA PRO A 44 -10.432 12.131 12.509 1.00 3.89 H new ATOM 0 HB2 PRO A 44 -10.384 14.689 13.571 1.00 4.45 H new ATOM 0 HB3 PRO A 44 -9.093 14.030 12.586 1.00 4.45 H new ATOM 0 HG2 PRO A 44 -11.104 16.077 11.877 1.00 4.44 H new ATOM 0 HG3 PRO A 44 -9.579 15.718 11.092 1.00 4.44 H new ATOM 0 HD2 PRO A 44 -12.195 14.975 10.180 1.00 3.61 H new ATOM 0 HD3 PRO A 44 -10.665 14.515 9.460 1.00 3.61 H new ATOM 645 N GLY A 45 -12.713 14.096 13.634 1.00 4.50 N ATOM 646 CA GLY A 45 -13.877 14.150 14.501 1.00 5.20 C ATOM 647 C GLY A 45 -13.463 14.264 15.969 1.00 5.03 C ATOM 648 O GLY A 45 -13.800 15.238 16.640 1.00 5.06 O ATOM 0 H GLY A 45 -12.322 15.005 13.388 1.00 4.50 H new ATOM 0 HA2 GLY A 45 -14.499 15.002 14.228 1.00 5.20 H new ATOM 0 HA3 GLY A 45 -14.483 13.255 14.359 1.00 5.20 H new ATOM 652 N MET A 46 -12.735 13.255 16.426 1.00 5.02 N ATOM 653 CA MET A 46 -12.271 13.230 17.803 1.00 5.11 C ATOM 654 C MET A 46 -10.897 12.563 17.906 1.00 5.11 C ATOM 655 O MET A 46 -10.774 11.468 18.450 1.00 5.89 O ATOM 656 CB MET A 46 -13.275 12.465 18.667 1.00 6.10 C ATOM 657 CG MET A 46 -14.337 13.408 19.237 1.00 6.27 C ATOM 658 SD MET A 46 -14.428 13.223 21.010 1.00 6.87 S ATOM 659 CE MET A 46 -13.565 14.701 21.520 1.00 5.93 C ATOM 0 H MET A 46 -12.455 12.449 15.867 1.00 5.02 H new ATOM 0 HA MET A 46 -12.184 14.258 18.156 1.00 5.11 H new ATOM 0 HB2 MET A 46 -13.755 11.688 18.072 1.00 6.10 H new ATOM 0 HB3 MET A 46 -12.752 11.965 19.482 1.00 6.10 H new ATOM 0 HG2 MET A 46 -14.094 14.440 18.983 1.00 6.27 H new ATOM 0 HG3 MET A 46 -15.307 13.190 18.790 1.00 6.27 H new ATOM 0 HE1 MET A 46 -13.530 14.744 22.609 1.00 5.93 H new ATOM 0 HE2 MET A 46 -12.549 14.684 21.124 1.00 5.93 H new ATOM 0 HE3 MET A 46 -14.088 15.578 21.139 1.00 5.93 H new ATOM 669 N GLU A 47 -9.899 13.254 17.373 1.00 4.47 N ATOM 670 CA GLU A 47 -8.539 12.742 17.398 1.00 4.74 C ATOM 671 C GLU A 47 -8.535 11.230 17.161 1.00 5.53 C ATOM 672 O GLU A 47 -8.264 10.456 18.077 1.00 6.30 O ATOM 673 CB GLU A 47 -7.846 13.093 18.717 1.00 4.97 C ATOM 674 CG GLU A 47 -6.328 13.158 18.538 1.00 5.18 C ATOM 675 CD GLU A 47 -5.616 12.276 19.564 1.00 6.24 C ATOM 676 OE1 GLU A 47 -5.647 11.042 19.450 1.00 6.98 O ATOM 677 OE2 GLU A 47 -5.013 12.917 20.508 1.00 6.64 O ATOM 0 H GLU A 47 -10.005 14.163 16.922 1.00 4.47 H new ATOM 0 HA GLU A 47 -7.978 13.216 16.593 1.00 4.74 H new ATOM 0 HB2 GLU A 47 -8.214 14.052 19.082 1.00 4.97 H new ATOM 0 HB3 GLU A 47 -8.095 12.348 19.472 1.00 4.97 H new ATOM 0 HG2 GLU A 47 -6.063 12.836 17.531 1.00 5.18 H new ATOM 0 HG3 GLU A 47 -5.990 14.189 18.643 1.00 5.18 H new ATOM 684 N HIS A 48 -8.839 10.856 15.927 1.00 5.45 N ATOM 685 CA HIS A 48 -8.875 9.452 15.559 1.00 6.24 C ATOM 686 C HIS A 48 -8.968 9.323 14.037 1.00 5.27 C ATOM 687 O HIS A 48 -9.776 8.548 13.525 1.00 7.09 O ATOM 688 CB HIS A 48 -10.009 8.727 16.287 1.00 9.13 C ATOM 689 CG HIS A 48 -9.568 7.493 17.037 1.00 10.53 C ATOM 690 ND1 HIS A 48 -8.635 7.530 18.058 1.00 11.06 N ATOM 691 CD2 HIS A 48 -9.942 6.188 16.905 1.00 11.91 C ATOM 692 CE1 HIS A 48 -8.463 6.298 18.512 1.00 12.65 C ATOM 693 NE2 HIS A 48 -9.273 5.468 17.796 1.00 13.10 N ATOM 0 H HIS A 48 -9.063 11.501 15.170 1.00 5.45 H new ATOM 0 HA HIS A 48 -7.952 8.966 15.874 1.00 6.24 H new ATOM 0 HB2 HIS A 48 -10.477 9.418 16.988 1.00 9.13 H new ATOM 0 HB3 HIS A 48 -10.771 8.445 15.561 1.00 9.13 H new ATOM 0 HD1 HIS A 48 -8.160 8.365 18.402 1.00 11.06 H new ATOM 0 HD2 HIS A 48 -10.661 5.806 16.195 1.00 11.91 H new ATOM 0 HE1 HIS A 48 -7.798 6.003 19.310 1.00 12.65 H new ATOM 701 N SER A 49 -8.132 10.092 13.357 1.00 3.16 N ATOM 702 CA SER A 49 -8.110 10.074 11.904 1.00 3.87 C ATOM 703 C SER A 49 -7.238 8.919 11.409 1.00 2.61 C ATOM 704 O SER A 49 -7.698 8.076 10.639 1.00 2.78 O ATOM 705 CB SER A 49 -7.599 11.403 11.344 1.00 4.97 C ATOM 706 OG SER A 49 -6.529 11.218 10.422 1.00 6.53 O ATOM 0 H SER A 49 -7.464 10.733 13.785 1.00 3.16 H new ATOM 0 HA SER A 49 -9.130 9.930 11.548 1.00 3.87 H new ATOM 0 HB2 SER A 49 -8.417 11.926 10.849 1.00 4.97 H new ATOM 0 HB3 SER A 49 -7.265 12.038 12.165 1.00 4.97 H new ATOM 0 HG SER A 49 -6.232 12.089 10.086 1.00 6.53 H new ATOM 712 N PRO A 50 -5.963 8.917 11.882 1.00 1.99 N ATOM 713 CA PRO A 50 -5.023 7.879 11.495 1.00 1.42 C ATOM 714 C PRO A 50 -5.330 6.565 12.216 1.00 1.42 C ATOM 715 O PRO A 50 -5.207 6.480 13.437 1.00 1.78 O ATOM 716 CB PRO A 50 -3.653 8.440 11.839 1.00 2.32 C ATOM 717 CG PRO A 50 -3.902 9.568 12.829 1.00 3.03 C ATOM 718 CD PRO A 50 -5.385 9.899 12.795 1.00 2.89 C ATOM 0 HA PRO A 50 -5.082 7.632 10.435 1.00 1.42 H new ATOM 0 HB2 PRO A 50 -3.014 7.672 12.275 1.00 2.32 H new ATOM 0 HB3 PRO A 50 -3.146 8.808 10.947 1.00 2.32 H new ATOM 0 HG2 PRO A 50 -3.601 9.268 13.833 1.00 3.03 H new ATOM 0 HG3 PRO A 50 -3.309 10.444 12.566 1.00 3.03 H new ATOM 0 HD2 PRO A 50 -5.830 9.827 13.788 1.00 2.89 H new ATOM 0 HD3 PRO A 50 -5.556 10.916 12.442 1.00 2.89 H new ATOM 726 N MET A 51 -5.722 5.573 11.430 1.00 1.19 N ATOM 727 CA MET A 51 -6.047 4.267 11.979 1.00 1.21 C ATOM 728 C MET A 51 -5.545 3.148 11.064 1.00 1.19 C ATOM 729 O MET A 51 -5.807 3.159 9.863 1.00 1.29 O ATOM 730 CB MET A 51 -7.563 4.147 12.147 1.00 1.21 C ATOM 731 CG MET A 51 -7.982 4.461 13.586 1.00 1.23 C ATOM 732 SD MET A 51 -9.145 3.238 14.164 1.00 1.67 S ATOM 733 CE MET A 51 -8.018 1.932 14.625 1.00 3.30 C ATOM 0 H MET A 51 -5.822 5.647 10.418 1.00 1.19 H new ATOM 0 HA MET A 51 -5.556 4.168 12.947 1.00 1.21 H new ATOM 0 HB2 MET A 51 -8.064 4.830 11.461 1.00 1.21 H new ATOM 0 HB3 MET A 51 -7.883 3.139 11.883 1.00 1.21 H new ATOM 0 HG2 MET A 51 -7.105 4.476 14.234 1.00 1.23 H new ATOM 0 HG3 MET A 51 -8.431 5.453 13.634 1.00 1.23 H new ATOM 0 HE1 MET A 51 -8.583 1.083 15.010 1.00 3.30 H new ATOM 0 HE2 MET A 51 -7.445 1.620 13.751 1.00 3.30 H new ATOM 0 HE3 MET A 51 -7.337 2.294 15.395 1.00 3.30 H new ATOM 743 N ALA A 52 -4.832 2.209 11.668 1.00 1.16 N ATOM 744 CA ALA A 52 -4.291 1.086 10.924 1.00 1.17 C ATOM 745 C ALA A 52 -5.420 0.108 10.591 1.00 1.13 C ATOM 746 O ALA A 52 -6.330 -0.090 11.394 1.00 1.15 O ATOM 747 CB ALA A 52 -3.170 0.428 11.734 1.00 1.31 C ATOM 0 H ALA A 52 -4.617 2.203 12.665 1.00 1.16 H new ATOM 0 HA ALA A 52 -3.858 1.423 9.982 1.00 1.17 H new ATOM 0 HB1 ALA A 52 -2.764 -0.415 11.175 1.00 1.31 H new ATOM 0 HB2 ALA A 52 -2.379 1.155 11.919 1.00 1.31 H new ATOM 0 HB3 ALA A 52 -3.568 0.075 12.685 1.00 1.31 H new ATOM 753 N VAL A 53 -5.324 -0.476 9.405 1.00 1.10 N ATOM 754 CA VAL A 53 -6.326 -1.428 8.957 1.00 1.10 C ATOM 755 C VAL A 53 -5.717 -2.832 8.938 1.00 1.21 C ATOM 756 O VAL A 53 -4.499 -2.986 9.023 1.00 1.46 O ATOM 757 CB VAL A 53 -6.883 -0.999 7.598 1.00 1.04 C ATOM 758 CG1 VAL A 53 -6.137 -1.691 6.456 1.00 0.89 C ATOM 759 CG2 VAL A 53 -8.387 -1.268 7.513 1.00 1.18 C ATOM 0 H VAL A 53 -4.568 -0.308 8.741 1.00 1.10 H new ATOM 0 HA VAL A 53 -7.169 -1.449 9.647 1.00 1.10 H new ATOM 0 HB VAL A 53 -6.728 0.075 7.496 1.00 1.04 H new ATOM 0 HG11 VAL A 53 -6.553 -1.368 5.502 1.00 0.89 H new ATOM 0 HG12 VAL A 53 -5.080 -1.427 6.499 1.00 0.89 H new ATOM 0 HG13 VAL A 53 -6.246 -2.771 6.552 1.00 0.89 H new ATOM 0 HG21 VAL A 53 -8.758 -0.954 6.537 1.00 1.18 H new ATOM 0 HG22 VAL A 53 -8.574 -2.333 7.647 1.00 1.18 H new ATOM 0 HG23 VAL A 53 -8.901 -0.708 8.294 1.00 1.18 H new ATOM 769 N LYS A 54 -6.593 -3.819 8.825 1.00 1.09 N ATOM 770 CA LYS A 54 -6.157 -5.205 8.792 1.00 1.19 C ATOM 771 C LYS A 54 -6.144 -5.698 7.344 1.00 1.04 C ATOM 772 O LYS A 54 -7.160 -6.169 6.835 1.00 1.12 O ATOM 773 CB LYS A 54 -7.019 -6.060 9.724 1.00 1.42 C ATOM 774 CG LYS A 54 -6.524 -5.965 11.170 1.00 2.93 C ATOM 775 CD LYS A 54 -7.585 -6.475 12.147 1.00 3.08 C ATOM 776 CE LYS A 54 -6.961 -6.827 13.499 1.00 4.45 C ATOM 777 NZ LYS A 54 -7.260 -8.231 13.857 1.00 4.31 N ATOM 0 H LYS A 54 -7.602 -3.687 8.755 1.00 1.09 H new ATOM 0 HA LYS A 54 -5.137 -5.292 9.168 1.00 1.19 H new ATOM 0 HB2 LYS A 54 -8.057 -5.731 9.669 1.00 1.42 H new ATOM 0 HB3 LYS A 54 -6.996 -7.099 9.395 1.00 1.42 H new ATOM 0 HG2 LYS A 54 -5.610 -6.547 11.284 1.00 2.93 H new ATOM 0 HG3 LYS A 54 -6.275 -4.930 11.406 1.00 2.93 H new ATOM 0 HD2 LYS A 54 -8.354 -5.715 12.284 1.00 3.08 H new ATOM 0 HD3 LYS A 54 -8.077 -7.354 11.729 1.00 3.08 H new ATOM 0 HE2 LYS A 54 -5.882 -6.678 13.458 1.00 4.45 H new ATOM 0 HE3 LYS A 54 -7.346 -6.159 14.269 1.00 4.45 H new ATOM 0 HZ1 LYS A 54 -6.829 -8.454 14.777 1.00 4.31 H new ATOM 0 HZ2 LYS A 54 -8.290 -8.362 13.916 1.00 4.31 H new ATOM 0 HZ3 LYS A 54 -6.871 -8.865 13.130 1.00 4.31 H new ATOM 791 N ALA A 55 -4.981 -5.573 6.721 1.00 1.03 N ATOM 792 CA ALA A 55 -4.821 -6.000 5.342 1.00 0.88 C ATOM 793 C ALA A 55 -3.716 -7.055 5.263 1.00 0.82 C ATOM 794 O ALA A 55 -3.062 -7.350 6.261 1.00 0.88 O ATOM 795 CB ALA A 55 -4.529 -4.783 4.462 1.00 0.80 C ATOM 0 H ALA A 55 -4.141 -5.182 7.147 1.00 1.03 H new ATOM 0 HA ALA A 55 -5.739 -6.457 4.973 1.00 0.88 H new ATOM 0 HB1 ALA A 55 -4.409 -5.103 3.427 1.00 0.80 H new ATOM 0 HB2 ALA A 55 -5.357 -4.078 4.530 1.00 0.80 H new ATOM 0 HB3 ALA A 55 -3.613 -4.300 4.801 1.00 0.80 H new ATOM 801 N ALA A 56 -3.543 -7.596 4.066 1.00 0.73 N ATOM 802 CA ALA A 56 -2.528 -8.612 3.844 1.00 0.70 C ATOM 803 C ALA A 56 -1.731 -8.264 2.585 1.00 0.69 C ATOM 804 O ALA A 56 -2.256 -7.636 1.668 1.00 0.84 O ATOM 805 CB ALA A 56 -3.194 -9.987 3.752 1.00 0.73 C ATOM 0 H ALA A 56 -4.088 -7.350 3.240 1.00 0.73 H new ATOM 0 HA ALA A 56 -1.828 -8.644 4.679 1.00 0.70 H new ATOM 0 HB1 ALA A 56 -2.433 -10.749 3.585 1.00 0.73 H new ATOM 0 HB2 ALA A 56 -3.722 -10.198 4.682 1.00 0.73 H new ATOM 0 HB3 ALA A 56 -3.902 -9.994 2.923 1.00 0.73 H new ATOM 811 N VAL A 57 -0.476 -8.689 2.581 1.00 0.62 N ATOM 812 CA VAL A 57 0.398 -8.431 1.450 1.00 0.62 C ATOM 813 C VAL A 57 0.792 -9.760 0.802 1.00 0.66 C ATOM 814 O VAL A 57 1.337 -10.641 1.465 1.00 0.72 O ATOM 815 CB VAL A 57 1.605 -7.604 1.899 1.00 0.67 C ATOM 816 CG1 VAL A 57 1.193 -6.549 2.928 1.00 1.80 C ATOM 817 CG2 VAL A 57 2.712 -8.504 2.451 1.00 1.94 C ATOM 0 H VAL A 57 -0.044 -9.211 3.344 1.00 0.62 H new ATOM 0 HA VAL A 57 -0.120 -7.841 0.694 1.00 0.62 H new ATOM 0 HB VAL A 57 2.000 -7.085 1.025 1.00 0.67 H new ATOM 0 HG11 VAL A 57 2.069 -5.975 3.231 1.00 1.80 H new ATOM 0 HG12 VAL A 57 0.455 -5.879 2.487 1.00 1.80 H new ATOM 0 HG13 VAL A 57 0.762 -7.040 3.800 1.00 1.80 H new ATOM 0 HG21 VAL A 57 3.558 -7.891 2.763 1.00 1.94 H new ATOM 0 HG22 VAL A 57 2.334 -9.063 3.307 1.00 1.94 H new ATOM 0 HG23 VAL A 57 3.034 -9.200 1.677 1.00 1.94 H new ATOM 827 N SER A 58 0.501 -9.863 -0.486 1.00 0.64 N ATOM 828 CA SER A 58 0.819 -11.069 -1.232 1.00 0.71 C ATOM 829 C SER A 58 1.534 -10.707 -2.535 1.00 0.71 C ATOM 830 O SER A 58 1.688 -9.529 -2.856 1.00 1.22 O ATOM 831 CB SER A 58 -0.443 -11.881 -1.527 1.00 0.81 C ATOM 832 OG SER A 58 -1.144 -12.233 -0.337 1.00 0.96 O ATOM 0 H SER A 58 0.048 -9.131 -1.033 1.00 0.64 H new ATOM 0 HA SER A 58 1.481 -11.684 -0.622 1.00 0.71 H new ATOM 0 HB2 SER A 58 -1.101 -11.305 -2.178 1.00 0.81 H new ATOM 0 HB3 SER A 58 -0.172 -12.787 -2.069 1.00 0.81 H new ATOM 0 HG SER A 58 -1.944 -12.749 -0.569 1.00 0.96 H new ATOM 838 N GLY A 59 1.951 -11.739 -3.252 1.00 0.58 N ATOM 839 CA GLY A 59 2.645 -11.544 -4.513 1.00 0.56 C ATOM 840 C GLY A 59 1.793 -12.024 -5.689 1.00 0.70 C ATOM 841 O GLY A 59 0.932 -12.887 -5.524 1.00 0.91 O ATOM 0 H GLY A 59 1.821 -12.714 -2.983 1.00 0.58 H new ATOM 0 HA2 GLY A 59 2.885 -10.488 -4.640 1.00 0.56 H new ATOM 0 HA3 GLY A 59 3.590 -12.086 -4.499 1.00 0.56 H new ATOM 845 N GLY A 60 2.061 -11.443 -6.849 1.00 0.72 N ATOM 846 CA GLY A 60 1.328 -11.800 -8.052 1.00 1.01 C ATOM 847 C GLY A 60 2.060 -12.893 -8.834 1.00 1.16 C ATOM 848 O GLY A 60 2.436 -12.688 -9.987 1.00 2.41 O ATOM 0 H GLY A 60 2.776 -10.727 -6.982 1.00 0.72 H new ATOM 0 HA2 GLY A 60 0.329 -12.145 -7.785 1.00 1.01 H new ATOM 0 HA3 GLY A 60 1.203 -10.919 -8.681 1.00 1.01 H new ATOM 852 N GLY A 61 2.238 -14.028 -8.177 1.00 1.79 N ATOM 853 CA GLY A 61 2.917 -15.154 -8.797 1.00 1.91 C ATOM 854 C GLY A 61 4.427 -15.080 -8.563 1.00 1.86 C ATOM 855 O GLY A 61 5.006 -15.961 -7.930 1.00 2.48 O ATOM 0 H GLY A 61 1.924 -14.193 -7.221 1.00 1.79 H new ATOM 0 HA2 GLY A 61 2.528 -16.087 -8.390 1.00 1.91 H new ATOM 0 HA3 GLY A 61 2.711 -15.163 -9.867 1.00 1.91 H new ATOM 859 N ASP A 62 5.022 -14.018 -9.086 1.00 1.36 N ATOM 860 CA ASP A 62 6.454 -13.817 -8.943 1.00 1.30 C ATOM 861 C ASP A 62 6.722 -12.941 -7.717 1.00 1.07 C ATOM 862 O ASP A 62 5.865 -12.156 -7.312 1.00 0.91 O ATOM 863 CB ASP A 62 7.036 -13.107 -10.167 1.00 1.31 C ATOM 864 CG ASP A 62 7.475 -14.032 -11.304 1.00 1.76 C ATOM 865 OD1 ASP A 62 6.557 -14.824 -11.747 1.00 2.82 O ATOM 866 OD2 ASP A 62 8.634 -13.999 -11.744 1.00 2.49 O ATOM 0 H ASP A 62 4.539 -13.288 -9.609 1.00 1.36 H new ATOM 0 HA ASP A 62 6.922 -14.795 -8.837 1.00 1.30 H new ATOM 0 HB2 ASP A 62 6.291 -12.411 -10.552 1.00 1.31 H new ATOM 0 HB3 ASP A 62 7.894 -12.513 -9.850 1.00 1.31 H new ATOM 871 N PRO A 63 7.945 -13.109 -7.147 1.00 1.12 N ATOM 872 CA PRO A 63 8.336 -12.343 -5.975 1.00 1.02 C ATOM 873 C PRO A 63 8.671 -10.899 -6.352 1.00 0.90 C ATOM 874 O PRO A 63 9.008 -10.090 -5.487 1.00 0.93 O ATOM 875 CB PRO A 63 9.521 -13.095 -5.391 1.00 1.22 C ATOM 876 CG PRO A 63 10.040 -13.987 -6.507 1.00 1.39 C ATOM 877 CD PRO A 63 8.985 -14.029 -7.600 1.00 1.35 C ATOM 0 HA PRO A 63 7.535 -12.258 -5.241 1.00 1.02 H new ATOM 0 HB2 PRO A 63 10.293 -12.404 -5.052 1.00 1.22 H new ATOM 0 HB3 PRO A 63 9.220 -13.686 -4.526 1.00 1.22 H new ATOM 0 HG2 PRO A 63 10.980 -13.600 -6.899 1.00 1.39 H new ATOM 0 HG3 PRO A 63 10.241 -14.990 -6.131 1.00 1.39 H new ATOM 0 HD2 PRO A 63 9.397 -13.719 -8.560 1.00 1.35 H new ATOM 0 HD3 PRO A 63 8.592 -15.037 -7.732 1.00 1.35 H new ATOM 885 N LYS A 64 8.567 -10.618 -7.642 1.00 0.90 N ATOM 886 CA LYS A 64 8.856 -9.284 -8.144 1.00 0.88 C ATOM 887 C LYS A 64 7.572 -8.453 -8.136 1.00 0.71 C ATOM 888 O LYS A 64 7.603 -7.257 -7.845 1.00 0.76 O ATOM 889 CB LYS A 64 9.530 -9.362 -9.515 1.00 1.08 C ATOM 890 CG LYS A 64 8.514 -9.704 -10.607 1.00 1.12 C ATOM 891 CD LYS A 64 9.187 -10.430 -11.774 1.00 1.89 C ATOM 892 CE LYS A 64 9.142 -9.581 -13.046 1.00 1.53 C ATOM 893 NZ LYS A 64 10.119 -10.082 -14.039 1.00 2.28 N ATOM 0 H LYS A 64 8.287 -11.291 -8.356 1.00 0.90 H new ATOM 0 HA LYS A 64 9.569 -8.777 -7.493 1.00 0.88 H new ATOM 0 HB2 LYS A 64 10.008 -8.410 -9.744 1.00 1.08 H new ATOM 0 HB3 LYS A 64 10.316 -10.117 -9.495 1.00 1.08 H new ATOM 0 HG2 LYS A 64 7.725 -10.330 -10.191 1.00 1.12 H new ATOM 0 HG3 LYS A 64 8.040 -8.791 -10.967 1.00 1.12 H new ATOM 0 HD2 LYS A 64 10.223 -10.655 -11.519 1.00 1.89 H new ATOM 0 HD3 LYS A 64 8.688 -11.383 -11.951 1.00 1.89 H new ATOM 0 HE2 LYS A 64 8.138 -9.605 -13.471 1.00 1.53 H new ATOM 0 HE3 LYS A 64 9.361 -8.541 -12.804 1.00 1.53 H new ATOM 0 HZ1 LYS A 64 10.075 -9.494 -14.896 1.00 2.28 H new ATOM 0 HZ2 LYS A 64 11.077 -10.037 -13.637 1.00 2.28 H new ATOM 0 HZ3 LYS A 64 9.892 -11.067 -14.283 1.00 2.28 H new ATOM 907 N THR A 65 6.472 -9.118 -8.459 1.00 0.66 N ATOM 908 CA THR A 65 5.180 -8.454 -8.493 1.00 0.55 C ATOM 909 C THR A 65 4.437 -8.665 -7.172 1.00 0.49 C ATOM 910 O THR A 65 4.219 -9.801 -6.753 1.00 0.59 O ATOM 911 CB THR A 65 4.414 -8.974 -9.711 1.00 0.64 C ATOM 912 OG1 THR A 65 4.960 -8.242 -10.804 1.00 0.68 O ATOM 913 CG2 THR A 65 2.939 -8.569 -9.692 1.00 0.66 C ATOM 0 H THR A 65 6.449 -10.109 -8.699 1.00 0.66 H new ATOM 0 HA THR A 65 5.292 -7.375 -8.598 1.00 0.55 H new ATOM 0 HB THR A 65 4.492 -10.060 -9.751 1.00 0.64 H new ATOM 0 HG1 THR A 65 4.799 -7.285 -10.669 1.00 0.68 H new ATOM 0 HG21 THR A 65 2.442 -8.963 -10.578 1.00 0.66 H new ATOM 0 HG22 THR A 65 2.462 -8.973 -8.799 1.00 0.66 H new ATOM 0 HG23 THR A 65 2.860 -7.482 -9.685 1.00 0.66 H new ATOM 921 N MET A 66 4.068 -7.553 -6.554 1.00 0.45 N ATOM 922 CA MET A 66 3.355 -7.602 -5.289 1.00 0.42 C ATOM 923 C MET A 66 1.898 -7.169 -5.465 1.00 0.37 C ATOM 924 O MET A 66 1.548 -6.547 -6.466 1.00 0.44 O ATOM 925 CB MET A 66 4.042 -6.683 -4.279 1.00 0.45 C ATOM 926 CG MET A 66 4.727 -7.494 -3.176 1.00 0.59 C ATOM 927 SD MET A 66 5.817 -8.707 -3.901 1.00 1.53 S ATOM 928 CE MET A 66 6.968 -7.632 -4.740 1.00 0.83 C ATOM 0 H MET A 66 4.249 -6.613 -6.906 1.00 0.45 H new ATOM 0 HA MET A 66 3.368 -8.629 -4.925 1.00 0.42 H new ATOM 0 HB2 MET A 66 4.778 -6.062 -4.789 1.00 0.45 H new ATOM 0 HB3 MET A 66 3.308 -6.009 -3.837 1.00 0.45 H new ATOM 0 HG2 MET A 66 5.292 -6.830 -2.522 1.00 0.59 H new ATOM 0 HG3 MET A 66 3.978 -7.989 -2.558 1.00 0.59 H new ATOM 0 HE1 MET A 66 7.917 -8.151 -4.877 1.00 0.83 H new ATOM 0 HE2 MET A 66 6.563 -7.353 -5.713 1.00 0.83 H new ATOM 0 HE3 MET A 66 7.129 -6.734 -4.143 1.00 0.83 H new ATOM 938 N VAL A 67 1.087 -7.516 -4.476 1.00 0.41 N ATOM 939 CA VAL A 67 -0.323 -7.170 -4.508 1.00 0.44 C ATOM 940 C VAL A 67 -0.869 -7.136 -3.079 1.00 0.49 C ATOM 941 O VAL A 67 -0.792 -8.130 -2.358 1.00 0.60 O ATOM 942 CB VAL A 67 -1.080 -8.144 -5.414 1.00 0.48 C ATOM 943 CG1 VAL A 67 -1.126 -9.544 -4.797 1.00 2.54 C ATOM 944 CG2 VAL A 67 -2.490 -7.631 -5.715 1.00 2.47 C ATOM 0 H VAL A 67 1.380 -8.033 -3.647 1.00 0.41 H new ATOM 0 HA VAL A 67 -0.462 -6.176 -4.933 1.00 0.44 H new ATOM 0 HB VAL A 67 -0.540 -8.211 -6.358 1.00 0.48 H new ATOM 0 HG11 VAL A 67 -1.669 -10.216 -5.461 1.00 2.54 H new ATOM 0 HG12 VAL A 67 -0.110 -9.914 -4.658 1.00 2.54 H new ATOM 0 HG13 VAL A 67 -1.631 -9.500 -3.832 1.00 2.54 H new ATOM 0 HG21 VAL A 67 -3.006 -8.342 -6.361 1.00 2.47 H new ATOM 0 HG22 VAL A 67 -3.043 -7.520 -4.783 1.00 2.47 H new ATOM 0 HG23 VAL A 67 -2.426 -6.665 -6.217 1.00 2.47 H new ATOM 954 N ILE A 68 -1.410 -5.984 -2.713 1.00 0.46 N ATOM 955 CA ILE A 68 -1.968 -5.807 -1.383 1.00 0.52 C ATOM 956 C ILE A 68 -3.479 -6.041 -1.433 1.00 0.57 C ATOM 957 O ILE A 68 -4.179 -5.421 -2.232 1.00 0.59 O ATOM 958 CB ILE A 68 -1.575 -4.443 -0.813 1.00 0.58 C ATOM 959 CG1 ILE A 68 -0.298 -4.543 0.023 1.00 0.61 C ATOM 960 CG2 ILE A 68 -2.731 -3.826 -0.022 1.00 0.72 C ATOM 961 CD1 ILE A 68 0.941 -4.607 -0.874 1.00 0.55 C ATOM 0 H ILE A 68 -1.474 -5.163 -3.315 1.00 0.46 H new ATOM 0 HA ILE A 68 -1.554 -6.544 -0.695 1.00 0.52 H new ATOM 0 HB ILE A 68 -1.361 -3.774 -1.647 1.00 0.58 H new ATOM 0 HG12 ILE A 68 -0.226 -3.682 0.688 1.00 0.61 H new ATOM 0 HG13 ILE A 68 -0.341 -5.431 0.654 1.00 0.61 H new ATOM 0 HG21 ILE A 68 -2.426 -2.857 0.373 1.00 0.72 H new ATOM 0 HG22 ILE A 68 -3.592 -3.696 -0.678 1.00 0.72 H new ATOM 0 HG23 ILE A 68 -3.000 -4.485 0.803 1.00 0.72 H new ATOM 0 HD11 ILE A 68 1.835 -4.678 -0.255 1.00 0.55 H new ATOM 0 HD12 ILE A 68 0.877 -5.482 -1.521 1.00 0.55 H new ATOM 0 HD13 ILE A 68 0.994 -3.707 -1.486 1.00 0.55 H new ATOM 973 N THR A 69 -3.936 -6.937 -0.571 1.00 0.63 N ATOM 974 CA THR A 69 -5.352 -7.260 -0.508 1.00 0.71 C ATOM 975 C THR A 69 -5.849 -7.192 0.937 1.00 0.78 C ATOM 976 O THR A 69 -5.465 -8.013 1.769 1.00 0.88 O ATOM 977 CB THR A 69 -5.553 -8.631 -1.156 1.00 0.75 C ATOM 978 OG1 THR A 69 -6.240 -8.344 -2.371 1.00 0.78 O ATOM 979 CG2 THR A 69 -6.530 -9.511 -0.374 1.00 0.84 C ATOM 0 H THR A 69 -3.352 -7.449 0.089 1.00 0.63 H new ATOM 0 HA THR A 69 -5.949 -6.534 -1.059 1.00 0.71 H new ATOM 0 HB THR A 69 -4.592 -9.139 -1.236 1.00 0.75 H new ATOM 0 HG1 THR A 69 -6.409 -9.179 -2.856 1.00 0.78 H new ATOM 0 HG21 THR A 69 -6.637 -10.472 -0.877 1.00 0.84 H new ATOM 0 HG22 THR A 69 -6.149 -9.670 0.635 1.00 0.84 H new ATOM 0 HG23 THR A 69 -7.501 -9.019 -0.322 1.00 0.84 H new ATOM 987 N PRO A 70 -6.720 -6.181 1.198 1.00 0.75 N ATOM 988 CA PRO A 70 -7.275 -5.994 2.527 1.00 0.82 C ATOM 989 C PRO A 70 -8.350 -7.042 2.824 1.00 0.89 C ATOM 990 O PRO A 70 -9.200 -7.321 1.980 1.00 0.88 O ATOM 991 CB PRO A 70 -7.814 -4.573 2.534 1.00 0.80 C ATOM 992 CG PRO A 70 -7.959 -4.176 1.074 1.00 0.72 C ATOM 993 CD PRO A 70 -7.198 -5.191 0.237 1.00 0.68 C ATOM 0 HA PRO A 70 -6.533 -6.127 3.314 1.00 0.82 H new ATOM 0 HB2 PRO A 70 -8.773 -4.521 3.050 1.00 0.80 H new ATOM 0 HB3 PRO A 70 -7.134 -3.900 3.056 1.00 0.80 H new ATOM 0 HG2 PRO A 70 -9.010 -4.156 0.787 1.00 0.72 H new ATOM 0 HG3 PRO A 70 -7.564 -3.173 0.910 1.00 0.72 H new ATOM 0 HD2 PRO A 70 -7.842 -5.648 -0.514 1.00 0.68 H new ATOM 0 HD3 PRO A 70 -6.369 -4.724 -0.295 1.00 0.68 H new ATOM 1001 N ALA A 71 -8.276 -7.594 4.027 1.00 1.00 N ATOM 1002 CA ALA A 71 -9.233 -8.605 4.446 1.00 1.09 C ATOM 1003 C ALA A 71 -10.613 -7.963 4.598 1.00 1.06 C ATOM 1004 O ALA A 71 -11.632 -8.607 4.353 1.00 1.10 O ATOM 1005 CB ALA A 71 -8.749 -9.261 5.741 1.00 1.23 C ATOM 0 H ALA A 71 -7.569 -7.361 4.724 1.00 1.00 H new ATOM 0 HA ALA A 71 -9.316 -9.390 3.694 1.00 1.09 H new ATOM 0 HB1 ALA A 71 -9.467 -10.019 6.055 1.00 1.23 H new ATOM 0 HB2 ALA A 71 -7.779 -9.728 5.572 1.00 1.23 H new ATOM 0 HB3 ALA A 71 -8.657 -8.504 6.520 1.00 1.23 H new ATOM 1011 N SER A 72 -10.603 -6.701 5.002 1.00 1.03 N ATOM 1012 CA SER A 72 -11.841 -5.964 5.189 1.00 1.01 C ATOM 1013 C SER A 72 -12.101 -5.060 3.982 1.00 0.93 C ATOM 1014 O SER A 72 -11.169 -4.679 3.276 1.00 0.80 O ATOM 1015 CB SER A 72 -11.800 -5.135 6.474 1.00 1.05 C ATOM 1016 OG SER A 72 -12.738 -5.601 7.440 1.00 1.19 O ATOM 0 H SER A 72 -9.756 -6.170 5.205 1.00 1.03 H new ATOM 0 HA SER A 72 -12.656 -6.683 5.278 1.00 1.01 H new ATOM 0 HB2 SER A 72 -10.796 -5.171 6.897 1.00 1.05 H new ATOM 0 HB3 SER A 72 -12.010 -4.091 6.239 1.00 1.05 H new ATOM 0 HG SER A 72 -12.680 -5.047 8.246 1.00 1.19 H new ATOM 1022 N PRO A 73 -13.405 -4.736 3.777 1.00 1.02 N ATOM 1023 CA PRO A 73 -13.799 -3.884 2.669 1.00 0.97 C ATOM 1024 C PRO A 73 -13.443 -2.422 2.946 1.00 0.92 C ATOM 1025 O PRO A 73 -13.610 -1.940 4.066 1.00 1.10 O ATOM 1026 CB PRO A 73 -15.293 -4.111 2.509 1.00 1.12 C ATOM 1027 CG PRO A 73 -15.765 -4.720 3.820 1.00 1.25 C ATOM 1028 CD PRO A 73 -14.537 -5.169 4.593 1.00 1.19 C ATOM 0 HA PRO A 73 -13.272 -4.125 1.746 1.00 0.97 H new ATOM 0 HB2 PRO A 73 -15.811 -3.174 2.305 1.00 1.12 H new ATOM 0 HB3 PRO A 73 -15.499 -4.778 1.672 1.00 1.12 H new ATOM 0 HG2 PRO A 73 -16.334 -3.991 4.397 1.00 1.25 H new ATOM 0 HG3 PRO A 73 -16.428 -5.565 3.632 1.00 1.25 H new ATOM 0 HD2 PRO A 73 -14.506 -4.717 5.584 1.00 1.19 H new ATOM 0 HD3 PRO A 73 -14.532 -6.250 4.735 1.00 1.19 H new ATOM 1036 N LEU A 74 -12.958 -1.756 1.908 1.00 0.74 N ATOM 1037 CA LEU A 74 -12.577 -0.359 2.027 1.00 0.72 C ATOM 1038 C LEU A 74 -13.810 0.521 1.818 1.00 0.77 C ATOM 1039 O LEU A 74 -14.397 0.528 0.736 1.00 0.77 O ATOM 1040 CB LEU A 74 -11.422 -0.036 1.076 1.00 0.64 C ATOM 1041 CG LEU A 74 -10.163 -0.891 1.236 1.00 0.60 C ATOM 1042 CD1 LEU A 74 -9.245 -0.745 0.020 1.00 0.60 C ATOM 1043 CD2 LEU A 74 -9.439 -0.562 2.543 1.00 0.63 C ATOM 0 H LEU A 74 -12.820 -2.158 0.981 1.00 0.74 H new ATOM 0 HA LEU A 74 -12.202 -0.150 3.029 1.00 0.72 H new ATOM 0 HB2 LEU A 74 -11.781 -0.140 0.052 1.00 0.64 H new ATOM 0 HB3 LEU A 74 -11.147 1.010 1.212 1.00 0.64 H new ATOM 0 HG LEU A 74 -10.464 -1.937 1.290 1.00 0.60 H new ATOM 0 HD11 LEU A 74 -8.357 -1.362 0.158 1.00 0.60 H new ATOM 0 HD12 LEU A 74 -9.775 -1.067 -0.877 1.00 0.60 H new ATOM 0 HD13 LEU A 74 -8.948 0.298 -0.089 1.00 0.60 H new ATOM 0 HD21 LEU A 74 -8.548 -1.184 2.632 1.00 0.63 H new ATOM 0 HD22 LEU A 74 -9.150 0.489 2.544 1.00 0.63 H new ATOM 0 HD23 LEU A 74 -10.103 -0.757 3.386 1.00 0.63 H new ATOM 1055 N THR A 75 -14.168 1.243 2.870 1.00 0.86 N ATOM 1056 CA THR A 75 -15.321 2.125 2.815 1.00 0.94 C ATOM 1057 C THR A 75 -14.900 3.527 2.372 1.00 0.91 C ATOM 1058 O THR A 75 -13.710 3.802 2.216 1.00 0.87 O ATOM 1059 CB THR A 75 -16.001 2.100 4.186 1.00 1.10 C ATOM 1060 OG1 THR A 75 -15.002 2.583 5.078 1.00 1.14 O ATOM 1061 CG2 THR A 75 -16.281 0.677 4.673 1.00 1.09 C ATOM 0 H THR A 75 -13.680 1.235 3.765 1.00 0.86 H new ATOM 0 HA THR A 75 -16.042 1.786 2.071 1.00 0.94 H new ATOM 0 HB THR A 75 -16.936 2.658 4.138 1.00 1.10 H new ATOM 0 HG1 THR A 75 -15.359 2.601 5.990 1.00 1.14 H new ATOM 0 HG21 THR A 75 -16.764 0.715 5.650 1.00 1.09 H new ATOM 0 HG22 THR A 75 -16.937 0.172 3.964 1.00 1.09 H new ATOM 0 HG23 THR A 75 -15.342 0.129 4.753 1.00 1.09 H new ATOM 1069 N ALA A 76 -15.897 4.378 2.181 1.00 0.99 N ATOM 1070 CA ALA A 76 -15.645 5.745 1.758 1.00 0.99 C ATOM 1071 C ALA A 76 -14.759 6.439 2.795 1.00 1.01 C ATOM 1072 O ALA A 76 -14.660 5.987 3.935 1.00 1.09 O ATOM 1073 CB ALA A 76 -16.977 6.470 1.551 1.00 1.04 C ATOM 0 H ALA A 76 -16.882 4.147 2.312 1.00 0.99 H new ATOM 0 HA ALA A 76 -15.114 5.761 0.806 1.00 0.99 H new ATOM 0 HB1 ALA A 76 -16.788 7.495 1.234 1.00 1.04 H new ATOM 0 HB2 ALA A 76 -17.557 5.954 0.785 1.00 1.04 H new ATOM 0 HB3 ALA A 76 -17.537 6.477 2.486 1.00 1.04 H new ATOM 1079 N GLY A 77 -14.136 7.526 2.362 1.00 1.00 N ATOM 1080 CA GLY A 77 -13.261 8.286 3.237 1.00 1.02 C ATOM 1081 C GLY A 77 -11.888 8.493 2.595 1.00 1.00 C ATOM 1082 O GLY A 77 -11.787 8.680 1.384 1.00 1.09 O ATOM 0 H GLY A 77 -14.221 7.898 1.416 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -13.713 9.253 3.458 1.00 1.02 H new ATOM 0 HA3 GLY A 77 -13.147 7.763 4.187 1.00 1.02 H new ATOM 1086 N THR A 78 -10.865 8.453 3.435 1.00 0.91 N ATOM 1087 CA THR A 78 -9.502 8.634 2.966 1.00 0.90 C ATOM 1088 C THR A 78 -8.582 7.574 3.573 1.00 0.74 C ATOM 1089 O THR A 78 -8.732 7.213 4.740 1.00 0.64 O ATOM 1090 CB THR A 78 -9.076 10.068 3.291 1.00 1.02 C ATOM 1091 OG1 THR A 78 -9.917 10.875 2.472 1.00 1.18 O ATOM 1092 CG2 THR A 78 -7.662 10.384 2.800 1.00 1.06 C ATOM 0 H THR A 78 -10.953 8.298 4.439 1.00 0.91 H new ATOM 0 HA THR A 78 -9.434 8.496 1.887 1.00 0.90 H new ATOM 0 HB THR A 78 -9.130 10.227 4.368 1.00 1.02 H new ATOM 0 HG1 THR A 78 -9.709 11.821 2.621 1.00 1.18 H new ATOM 0 HG21 THR A 78 -7.409 11.413 3.056 1.00 1.06 H new ATOM 0 HG22 THR A 78 -6.952 9.707 3.275 1.00 1.06 H new ATOM 0 HG23 THR A 78 -7.616 10.257 1.718 1.00 1.06 H new ATOM 1100 N TYR A 79 -7.651 7.106 2.756 1.00 0.78 N ATOM 1101 CA TYR A 79 -6.707 6.094 3.199 1.00 0.67 C ATOM 1102 C TYR A 79 -5.329 6.318 2.574 1.00 0.66 C ATOM 1103 O TYR A 79 -5.218 6.921 1.507 1.00 0.67 O ATOM 1104 CB TYR A 79 -7.264 4.755 2.709 1.00 0.69 C ATOM 1105 CG TYR A 79 -8.564 4.334 3.395 1.00 0.67 C ATOM 1106 CD1 TYR A 79 -9.739 5.004 3.118 1.00 1.77 C ATOM 1107 CD2 TYR A 79 -8.564 3.283 4.290 1.00 2.07 C ATOM 1108 CE1 TYR A 79 -10.963 4.608 3.764 1.00 1.67 C ATOM 1109 CE2 TYR A 79 -9.789 2.886 4.934 1.00 2.29 C ATOM 1110 CZ TYR A 79 -10.928 3.568 4.640 1.00 1.02 C ATOM 1111 OH TYR A 79 -12.085 3.193 5.250 1.00 1.27 O ATOM 0 H TYR A 79 -7.530 7.409 1.790 1.00 0.78 H new ATOM 0 HA TYR A 79 -6.589 6.127 4.282 1.00 0.67 H new ATOM 0 HB2 TYR A 79 -7.436 4.816 1.634 1.00 0.69 H new ATOM 0 HB3 TYR A 79 -6.514 3.981 2.869 1.00 0.69 H new ATOM 0 HD1 TYR A 79 -9.740 5.825 2.417 1.00 1.77 H new ATOM 0 HD2 TYR A 79 -7.645 2.759 4.507 1.00 2.07 H new ATOM 0 HE1 TYR A 79 -11.888 5.125 3.558 1.00 1.67 H new ATOM 0 HE2 TYR A 79 -9.803 2.065 5.635 1.00 2.29 H new ATOM 0 HH TYR A 79 -12.815 3.195 4.596 1.00 1.27 H new ATOM 1121 N LYS A 80 -4.312 5.823 3.266 1.00 0.68 N ATOM 1122 CA LYS A 80 -2.946 5.963 2.792 1.00 0.69 C ATOM 1123 C LYS A 80 -2.231 4.615 2.908 1.00 0.65 C ATOM 1124 O LYS A 80 -2.015 4.117 4.011 1.00 0.66 O ATOM 1125 CB LYS A 80 -2.237 7.100 3.529 1.00 0.73 C ATOM 1126 CG LYS A 80 -0.803 7.272 3.023 1.00 1.36 C ATOM 1127 CD LYS A 80 0.206 7.059 4.154 1.00 2.19 C ATOM 1128 CE LYS A 80 1.296 8.132 4.125 1.00 2.48 C ATOM 1129 NZ LYS A 80 1.869 8.325 5.476 1.00 3.18 N ATOM 0 H LYS A 80 -4.407 5.325 4.151 1.00 0.68 H new ATOM 0 HA LYS A 80 -2.935 6.242 1.738 1.00 0.69 H new ATOM 0 HB2 LYS A 80 -2.790 8.029 3.389 1.00 0.73 H new ATOM 0 HB3 LYS A 80 -2.226 6.894 4.599 1.00 0.73 H new ATOM 0 HG2 LYS A 80 -0.609 6.562 2.219 1.00 1.36 H new ATOM 0 HG3 LYS A 80 -0.679 8.270 2.603 1.00 1.36 H new ATOM 0 HD2 LYS A 80 -0.308 7.084 5.115 1.00 2.19 H new ATOM 0 HD3 LYS A 80 0.659 6.072 4.061 1.00 2.19 H new ATOM 0 HE2 LYS A 80 2.082 7.841 3.428 1.00 2.48 H new ATOM 0 HE3 LYS A 80 0.880 9.072 3.762 1.00 2.48 H new ATOM 0 HZ1 LYS A 80 2.769 8.840 5.401 1.00 3.18 H new ATOM 0 HZ2 LYS A 80 1.205 8.872 6.060 1.00 3.18 H new ATOM 0 HZ3 LYS A 80 2.036 7.398 5.918 1.00 3.18 H new ATOM 1143 N VAL A 81 -1.882 4.065 1.754 1.00 0.62 N ATOM 1144 CA VAL A 81 -1.195 2.786 1.712 1.00 0.59 C ATOM 1145 C VAL A 81 0.315 3.023 1.687 1.00 0.61 C ATOM 1146 O VAL A 81 0.875 3.380 0.651 1.00 0.69 O ATOM 1147 CB VAL A 81 -1.691 1.964 0.521 1.00 0.51 C ATOM 1148 CG1 VAL A 81 -1.094 0.556 0.539 1.00 0.48 C ATOM 1149 CG2 VAL A 81 -3.221 1.910 0.490 1.00 0.62 C ATOM 0 H VAL A 81 -2.062 4.482 0.841 1.00 0.62 H new ATOM 0 HA VAL A 81 -1.417 2.204 2.606 1.00 0.59 H new ATOM 0 HB VAL A 81 -1.354 2.459 -0.390 1.00 0.51 H new ATOM 0 HG11 VAL A 81 -1.463 -0.007 -0.318 1.00 0.48 H new ATOM 0 HG12 VAL A 81 -0.007 0.621 0.490 1.00 0.48 H new ATOM 0 HG13 VAL A 81 -1.386 0.049 1.459 1.00 0.48 H new ATOM 0 HG21 VAL A 81 -3.547 1.320 -0.366 1.00 0.62 H new ATOM 0 HG22 VAL A 81 -3.588 1.451 1.408 1.00 0.62 H new ATOM 0 HG23 VAL A 81 -3.619 2.921 0.406 1.00 0.62 H new ATOM 1159 N ASP A 82 0.934 2.815 2.840 1.00 0.67 N ATOM 1160 CA ASP A 82 2.370 3.003 2.963 1.00 0.71 C ATOM 1161 C ASP A 82 3.079 1.676 2.683 1.00 0.64 C ATOM 1162 O ASP A 82 2.882 0.699 3.404 1.00 0.69 O ATOM 1163 CB ASP A 82 2.748 3.451 4.376 1.00 0.85 C ATOM 1164 CG ASP A 82 1.630 4.149 5.153 1.00 0.64 C ATOM 1165 OD1 ASP A 82 0.483 3.679 5.183 1.00 1.77 O ATOM 1166 OD2 ASP A 82 1.980 5.236 5.756 1.00 1.56 O ATOM 0 H ASP A 82 0.468 2.518 3.697 1.00 0.67 H new ATOM 0 HA ASP A 82 2.672 3.769 2.249 1.00 0.71 H new ATOM 0 HB2 ASP A 82 3.074 2.579 4.943 1.00 0.85 H new ATOM 0 HB3 ASP A 82 3.601 4.126 4.311 1.00 0.85 H new ATOM 1171 N TRP A 83 3.889 1.684 1.635 1.00 0.59 N ATOM 1172 CA TRP A 83 4.628 0.493 1.251 1.00 0.55 C ATOM 1173 C TRP A 83 6.119 0.786 1.427 1.00 0.65 C ATOM 1174 O TRP A 83 6.543 1.938 1.353 1.00 0.77 O ATOM 1175 CB TRP A 83 4.268 0.060 -0.172 1.00 0.46 C ATOM 1176 CG TRP A 83 4.417 1.167 -1.216 1.00 0.49 C ATOM 1177 CD1 TRP A 83 3.447 1.842 -1.848 1.00 0.54 C ATOM 1178 CD2 TRP A 83 5.655 1.705 -1.729 1.00 0.53 C ATOM 1179 NE1 TRP A 83 3.966 2.771 -2.726 1.00 0.62 N ATOM 1180 CE2 TRP A 83 5.352 2.685 -2.652 1.00 0.62 C ATOM 1181 CE3 TRP A 83 6.986 1.373 -1.424 1.00 0.55 C ATOM 1182 CZ2 TRP A 83 6.326 3.413 -3.344 1.00 0.72 C ATOM 1183 CZ3 TRP A 83 7.948 2.111 -2.124 1.00 0.63 C ATOM 1184 CH2 TRP A 83 7.659 3.100 -3.056 1.00 0.72 C ATOM 0 H TRP A 83 4.050 2.496 1.040 1.00 0.59 H new ATOM 0 HA TRP A 83 4.361 -0.350 1.888 1.00 0.55 H new ATOM 0 HB2 TRP A 83 4.901 -0.781 -0.456 1.00 0.46 H new ATOM 0 HB3 TRP A 83 3.239 -0.299 -0.182 1.00 0.46 H new ATOM 0 HD1 TRP A 83 2.391 1.679 -1.690 1.00 0.54 H new ATOM 0 HE1 TRP A 83 3.431 3.405 -3.320 1.00 0.62 H new ATOM 0 HE3 TRP A 83 7.246 0.609 -0.706 1.00 0.55 H new ATOM 0 HZ2 TRP A 83 6.063 4.176 -4.062 1.00 0.72 H new ATOM 0 HZ3 TRP A 83 8.988 1.896 -1.926 1.00 0.63 H new ATOM 0 HH2 TRP A 83 8.460 3.625 -3.556 1.00 0.72 H new ATOM 1195 N ARG A 84 6.875 -0.278 1.658 1.00 0.67 N ATOM 1196 CA ARG A 84 8.310 -0.150 1.845 1.00 0.77 C ATOM 1197 C ARG A 84 9.026 -1.404 1.335 1.00 0.68 C ATOM 1198 O ARG A 84 8.706 -2.517 1.748 1.00 0.70 O ATOM 1199 CB ARG A 84 8.656 0.061 3.320 1.00 0.96 C ATOM 1200 CG ARG A 84 8.319 1.486 3.764 1.00 1.13 C ATOM 1201 CD ARG A 84 7.130 1.494 4.726 1.00 1.59 C ATOM 1202 NE ARG A 84 7.548 2.021 6.044 1.00 1.60 N ATOM 1203 CZ ARG A 84 7.873 3.311 6.275 1.00 3.13 C ATOM 1204 NH1 ARG A 84 7.828 4.218 5.276 1.00 4.92 N ATOM 1205 NH2 ARG A 84 8.233 3.672 7.492 1.00 3.60 N ATOM 0 H ARG A 84 6.520 -1.232 1.720 1.00 0.67 H new ATOM 0 HA ARG A 84 8.642 0.719 1.277 1.00 0.77 H new ATOM 0 HB2 ARG A 84 8.106 -0.654 3.932 1.00 0.96 H new ATOM 0 HB3 ARG A 84 9.717 -0.132 3.480 1.00 0.96 H new ATOM 0 HG2 ARG A 84 9.186 1.934 4.249 1.00 1.13 H new ATOM 0 HG3 ARG A 84 8.090 2.098 2.892 1.00 1.13 H new ATOM 0 HD2 ARG A 84 6.326 2.107 4.318 1.00 1.59 H new ATOM 0 HD3 ARG A 84 6.735 0.484 4.838 1.00 1.59 H new ATOM 0 HE ARG A 84 7.593 1.369 6.827 1.00 1.60 H new ATOM 0 HH11 ARG A 84 7.547 3.931 4.339 1.00 4.92 H new ATOM 0 HH12 ARG A 84 8.075 5.191 5.459 1.00 4.92 H new ATOM 0 HH21 ARG A 84 8.263 2.981 8.241 1.00 3.60 H new ATOM 0 HH22 ARG A 84 8.482 4.643 7.683 1.00 3.60 H new ATOM 1219 N ALA A 85 9.981 -1.179 0.445 1.00 0.80 N ATOM 1220 CA ALA A 85 10.745 -2.276 -0.126 1.00 0.87 C ATOM 1221 C ALA A 85 12.207 -2.151 0.305 1.00 0.91 C ATOM 1222 O ALA A 85 12.895 -1.209 -0.086 1.00 1.38 O ATOM 1223 CB ALA A 85 10.583 -2.273 -1.647 1.00 1.13 C ATOM 0 H ALA A 85 10.243 -0.254 0.105 1.00 0.80 H new ATOM 0 HA ALA A 85 10.374 -3.234 0.239 1.00 0.87 H new ATOM 0 HB1 ALA A 85 11.156 -3.095 -2.076 1.00 1.13 H new ATOM 0 HB2 ALA A 85 9.530 -2.393 -1.901 1.00 1.13 H new ATOM 0 HB3 ALA A 85 10.948 -1.328 -2.050 1.00 1.13 H new ATOM 1229 N VAL A 86 12.639 -3.116 1.104 1.00 1.24 N ATOM 1230 CA VAL A 86 14.008 -3.126 1.592 1.00 1.33 C ATOM 1231 C VAL A 86 14.909 -3.799 0.555 1.00 1.49 C ATOM 1232 O VAL A 86 14.463 -4.669 -0.190 1.00 1.87 O ATOM 1233 CB VAL A 86 14.070 -3.800 2.964 1.00 1.63 C ATOM 1234 CG1 VAL A 86 15.518 -3.973 3.426 1.00 2.59 C ATOM 1235 CG2 VAL A 86 13.255 -3.018 3.996 1.00 2.30 C ATOM 0 H VAL A 86 12.066 -3.896 1.425 1.00 1.24 H new ATOM 0 HA VAL A 86 14.372 -2.108 1.728 1.00 1.33 H new ATOM 0 HB VAL A 86 13.628 -4.792 2.870 1.00 1.63 H new ATOM 0 HG11 VAL A 86 15.533 -4.454 4.404 1.00 2.59 H new ATOM 0 HG12 VAL A 86 16.057 -4.592 2.709 1.00 2.59 H new ATOM 0 HG13 VAL A 86 15.997 -2.996 3.495 1.00 2.59 H new ATOM 0 HG21 VAL A 86 13.316 -3.518 4.962 1.00 2.30 H new ATOM 0 HG22 VAL A 86 13.654 -2.008 4.085 1.00 2.30 H new ATOM 0 HG23 VAL A 86 12.214 -2.970 3.677 1.00 2.30 H new ATOM 1245 N SER A 87 16.164 -3.370 0.540 1.00 1.60 N ATOM 1246 CA SER A 87 17.132 -3.919 -0.393 1.00 1.85 C ATOM 1247 C SER A 87 18.534 -3.867 0.216 1.00 1.93 C ATOM 1248 O SER A 87 18.732 -3.278 1.278 1.00 3.14 O ATOM 1249 CB SER A 87 17.104 -3.164 -1.724 1.00 2.20 C ATOM 1250 OG SER A 87 18.146 -3.587 -2.599 1.00 3.06 O ATOM 0 H SER A 87 16.532 -2.648 1.160 1.00 1.60 H new ATOM 0 HA SER A 87 16.866 -4.958 -0.589 1.00 1.85 H new ATOM 0 HB2 SER A 87 16.139 -3.318 -2.208 1.00 2.20 H new ATOM 0 HB3 SER A 87 17.200 -2.095 -1.536 1.00 2.20 H new ATOM 0 HG SER A 87 18.093 -3.083 -3.438 1.00 3.06 H new ATOM 1256 N SER A 88 19.471 -4.493 -0.481 1.00 1.96 N ATOM 1257 CA SER A 88 20.849 -4.526 -0.022 1.00 2.37 C ATOM 1258 C SER A 88 21.274 -3.136 0.458 1.00 2.63 C ATOM 1259 O SER A 88 20.632 -2.140 0.130 1.00 3.68 O ATOM 1260 CB SER A 88 21.787 -5.017 -1.126 1.00 2.86 C ATOM 1261 OG SER A 88 22.429 -6.240 -0.777 1.00 3.32 O ATOM 0 H SER A 88 19.303 -4.981 -1.360 1.00 1.96 H new ATOM 0 HA SER A 88 20.915 -5.227 0.810 1.00 2.37 H new ATOM 0 HB2 SER A 88 21.221 -5.155 -2.047 1.00 2.86 H new ATOM 0 HB3 SER A 88 22.541 -4.256 -1.326 1.00 2.86 H new ATOM 0 HG SER A 88 23.018 -6.521 -1.508 1.00 3.32 H new ATOM 1267 N ASP A 89 22.355 -3.115 1.224 1.00 2.76 N ATOM 1268 CA ASP A 89 22.874 -1.864 1.751 1.00 3.17 C ATOM 1269 C ASP A 89 21.824 -1.226 2.664 1.00 2.55 C ATOM 1270 O ASP A 89 20.694 -1.706 2.747 1.00 2.89 O ATOM 1271 CB ASP A 89 23.183 -0.877 0.623 1.00 4.02 C ATOM 1272 CG ASP A 89 24.670 -0.660 0.345 1.00 5.21 C ATOM 1273 OD1 ASP A 89 25.408 -0.446 1.331 1.00 5.69 O ATOM 1274 OD2 ASP A 89 25.038 -0.712 -0.849 1.00 6.16 O ATOM 0 H ASP A 89 22.886 -3.944 1.492 1.00 2.76 H new ATOM 0 HA ASP A 89 23.790 -2.083 2.299 1.00 3.17 H new ATOM 0 HB2 ASP A 89 22.706 -1.231 -0.291 1.00 4.02 H new ATOM 0 HB3 ASP A 89 22.730 0.084 0.867 1.00 4.02 H new ATOM 1279 N THR A 90 22.235 -0.154 3.324 1.00 2.74 N ATOM 1280 CA THR A 90 21.344 0.556 4.227 1.00 2.68 C ATOM 1281 C THR A 90 20.404 1.470 3.440 1.00 2.23 C ATOM 1282 O THR A 90 20.464 1.521 2.212 1.00 2.94 O ATOM 1283 CB THR A 90 22.203 1.303 5.249 1.00 3.99 C ATOM 1284 OG1 THR A 90 21.257 1.869 6.151 1.00 4.73 O ATOM 1285 CG2 THR A 90 22.912 2.515 4.643 1.00 4.81 C ATOM 0 H THR A 90 23.173 0.241 3.252 1.00 2.74 H new ATOM 0 HA THR A 90 20.697 -0.135 4.768 1.00 2.68 H new ATOM 0 HB THR A 90 22.943 0.621 5.668 1.00 3.99 H new ATOM 0 HG1 THR A 90 21.729 2.370 6.848 1.00 4.73 H new ATOM 0 HG21 THR A 90 23.508 3.009 5.410 1.00 4.81 H new ATOM 0 HG22 THR A 90 23.563 2.188 3.832 1.00 4.81 H new ATOM 0 HG23 THR A 90 22.171 3.213 4.254 1.00 4.81 H new ATOM 1293 N HIS A 91 19.556 2.171 4.178 1.00 2.22 N ATOM 1294 CA HIS A 91 18.604 3.082 3.564 1.00 2.06 C ATOM 1295 C HIS A 91 17.729 2.316 2.570 1.00 1.61 C ATOM 1296 O HIS A 91 18.027 2.276 1.378 1.00 1.93 O ATOM 1297 CB HIS A 91 19.324 4.272 2.927 1.00 2.74 C ATOM 1298 CG HIS A 91 19.381 5.498 3.806 1.00 3.35 C ATOM 1299 ND1 HIS A 91 18.294 6.333 3.998 1.00 4.13 N ATOM 1300 CD2 HIS A 91 20.403 6.021 4.542 1.00 4.29 C ATOM 1301 CE1 HIS A 91 18.657 7.312 4.814 1.00 4.94 C ATOM 1302 NE2 HIS A 91 19.965 7.117 5.149 1.00 4.97 N ATOM 0 H HIS A 91 19.508 2.127 5.196 1.00 2.22 H new ATOM 0 HA HIS A 91 17.947 3.497 4.328 1.00 2.06 H new ATOM 0 HB2 HIS A 91 20.341 3.974 2.671 1.00 2.74 H new ATOM 0 HB3 HIS A 91 18.823 4.530 1.994 1.00 2.74 H new ATOM 0 HD2 HIS A 91 21.400 5.613 4.618 1.00 4.29 H new ATOM 0 HE1 HIS A 91 18.028 8.122 5.154 1.00 4.94 H new ATOM 0 HE2 HIS A 91 20.516 7.715 5.765 1.00 4.97 H new ATOM 1310 N PRO A 92 16.639 1.710 3.112 1.00 1.31 N ATOM 1311 CA PRO A 92 15.718 0.948 2.286 1.00 1.49 C ATOM 1312 C PRO A 92 14.832 1.876 1.452 1.00 1.43 C ATOM 1313 O PRO A 92 15.039 3.088 1.437 1.00 1.62 O ATOM 1314 CB PRO A 92 14.928 0.093 3.263 1.00 1.86 C ATOM 1315 CG PRO A 92 15.109 0.743 4.626 1.00 1.81 C ATOM 1316 CD PRO A 92 16.254 1.736 4.520 1.00 1.52 C ATOM 0 HA PRO A 92 16.229 0.323 1.553 1.00 1.49 H new ATOM 0 HB2 PRO A 92 13.875 0.055 2.985 1.00 1.86 H new ATOM 0 HB3 PRO A 92 15.294 -0.934 3.268 1.00 1.86 H new ATOM 0 HG2 PRO A 92 14.193 1.248 4.933 1.00 1.81 H new ATOM 0 HG3 PRO A 92 15.326 -0.011 5.383 1.00 1.81 H new ATOM 0 HD2 PRO A 92 15.942 2.734 4.827 1.00 1.52 H new ATOM 0 HD3 PRO A 92 17.086 1.451 5.163 1.00 1.52 H new ATOM 1324 N ILE A 93 13.864 1.271 0.779 1.00 1.30 N ATOM 1325 CA ILE A 93 12.946 2.027 -0.055 1.00 1.33 C ATOM 1326 C ILE A 93 11.592 2.132 0.650 1.00 1.14 C ATOM 1327 O ILE A 93 11.098 1.150 1.201 1.00 1.14 O ATOM 1328 CB ILE A 93 12.865 1.415 -1.455 1.00 1.47 C ATOM 1329 CG1 ILE A 93 14.261 1.089 -1.992 1.00 2.12 C ATOM 1330 CG2 ILE A 93 12.083 2.323 -2.405 1.00 1.70 C ATOM 1331 CD1 ILE A 93 14.343 -0.369 -2.451 1.00 3.57 C ATOM 0 H ILE A 93 13.696 0.265 0.795 1.00 1.30 H new ATOM 0 HA ILE A 93 13.311 3.044 -0.198 1.00 1.33 H new ATOM 0 HB ILE A 93 12.319 0.474 -1.386 1.00 1.47 H new ATOM 0 HG12 ILE A 93 14.498 1.751 -2.825 1.00 2.12 H new ATOM 0 HG13 ILE A 93 15.005 1.273 -1.217 1.00 2.12 H new ATOM 0 HG21 ILE A 93 12.040 1.865 -3.393 1.00 1.70 H new ATOM 0 HG22 ILE A 93 11.071 2.462 -2.025 1.00 1.70 H new ATOM 0 HG23 ILE A 93 12.580 3.291 -2.475 1.00 1.70 H new ATOM 0 HD11 ILE A 93 15.344 -0.576 -2.828 1.00 3.57 H new ATOM 0 HD12 ILE A 93 14.129 -1.028 -1.610 1.00 3.57 H new ATOM 0 HD13 ILE A 93 13.614 -0.543 -3.243 1.00 3.57 H new ATOM 1343 N THR A 94 11.031 3.332 0.608 1.00 1.39 N ATOM 1344 CA THR A 94 9.744 3.577 1.237 1.00 1.25 C ATOM 1345 C THR A 94 8.875 4.464 0.342 1.00 1.12 C ATOM 1346 O THR A 94 9.389 5.310 -0.388 1.00 1.17 O ATOM 1347 CB THR A 94 9.999 4.176 2.621 1.00 1.39 C ATOM 1348 OG1 THR A 94 10.655 5.412 2.349 1.00 1.46 O ATOM 1349 CG2 THR A 94 11.028 3.377 3.423 1.00 1.61 C ATOM 0 H THR A 94 11.444 4.144 0.149 1.00 1.39 H new ATOM 0 HA THR A 94 9.185 2.651 1.367 1.00 1.25 H new ATOM 0 HB THR A 94 9.062 4.221 3.175 1.00 1.39 H new ATOM 0 HG1 THR A 94 10.856 5.868 3.193 1.00 1.46 H new ATOM 0 HG21 THR A 94 11.172 3.844 4.397 1.00 1.61 H new ATOM 0 HG22 THR A 94 10.670 2.356 3.559 1.00 1.61 H new ATOM 0 HG23 THR A 94 11.976 3.360 2.885 1.00 1.61 H new ATOM 1357 N GLY A 95 7.572 4.240 0.428 1.00 1.02 N ATOM 1358 CA GLY A 95 6.627 5.008 -0.365 1.00 0.92 C ATOM 1359 C GLY A 95 5.202 4.840 0.167 1.00 0.86 C ATOM 1360 O GLY A 95 4.921 3.905 0.915 1.00 0.91 O ATOM 0 H GLY A 95 7.148 3.538 1.035 1.00 1.02 H new ATOM 0 HA2 GLY A 95 6.904 6.062 -0.347 1.00 0.92 H new ATOM 0 HA3 GLY A 95 6.672 4.684 -1.405 1.00 0.92 H new ATOM 1364 N SER A 96 4.340 5.760 -0.241 1.00 0.82 N ATOM 1365 CA SER A 96 2.951 5.725 0.185 1.00 0.79 C ATOM 1366 C SER A 96 2.036 6.099 -0.983 1.00 0.73 C ATOM 1367 O SER A 96 2.425 6.869 -1.859 1.00 0.75 O ATOM 1368 CB SER A 96 2.715 6.668 1.367 1.00 0.89 C ATOM 1369 OG SER A 96 3.928 7.005 2.032 1.00 1.04 O ATOM 0 H SER A 96 4.576 6.534 -0.862 1.00 0.82 H new ATOM 0 HA SER A 96 2.718 4.711 0.511 1.00 0.79 H new ATOM 0 HB2 SER A 96 2.231 7.578 1.013 1.00 0.89 H new ATOM 0 HB3 SER A 96 2.032 6.198 2.075 1.00 0.89 H new ATOM 0 HG SER A 96 3.913 7.953 2.279 1.00 1.04 H new ATOM 1375 N VAL A 97 0.837 5.535 -0.958 1.00 0.69 N ATOM 1376 CA VAL A 97 -0.136 5.799 -2.004 1.00 0.63 C ATOM 1377 C VAL A 97 -1.475 6.174 -1.366 1.00 0.63 C ATOM 1378 O VAL A 97 -2.230 5.302 -0.940 1.00 0.62 O ATOM 1379 CB VAL A 97 -0.237 4.593 -2.940 1.00 0.56 C ATOM 1380 CG1 VAL A 97 -1.299 4.824 -4.018 1.00 0.48 C ATOM 1381 CG2 VAL A 97 1.120 4.272 -3.570 1.00 0.76 C ATOM 0 H VAL A 97 0.518 4.896 -0.230 1.00 0.69 H new ATOM 0 HA VAL A 97 0.180 6.644 -2.616 1.00 0.63 H new ATOM 0 HB VAL A 97 -0.543 3.732 -2.345 1.00 0.56 H new ATOM 0 HG11 VAL A 97 -1.351 3.952 -4.670 1.00 0.48 H new ATOM 0 HG12 VAL A 97 -2.269 4.982 -3.546 1.00 0.48 H new ATOM 0 HG13 VAL A 97 -1.035 5.702 -4.607 1.00 0.48 H new ATOM 0 HG21 VAL A 97 1.020 3.411 -4.231 1.00 0.76 H new ATOM 0 HG22 VAL A 97 1.467 5.131 -4.144 1.00 0.76 H new ATOM 0 HG23 VAL A 97 1.841 4.045 -2.785 1.00 0.76 H new ATOM 1391 N THR A 98 -1.728 7.474 -1.319 1.00 0.65 N ATOM 1392 CA THR A 98 -2.963 7.975 -0.741 1.00 0.68 C ATOM 1393 C THR A 98 -4.085 7.959 -1.781 1.00 0.63 C ATOM 1394 O THR A 98 -3.841 8.176 -2.966 1.00 0.63 O ATOM 1395 CB THR A 98 -2.685 9.367 -0.168 1.00 0.76 C ATOM 1396 OG1 THR A 98 -3.687 9.537 0.833 1.00 0.88 O ATOM 1397 CG2 THR A 98 -2.973 10.482 -1.174 1.00 0.60 C ATOM 0 H THR A 98 -1.099 8.195 -1.672 1.00 0.65 H new ATOM 0 HA THR A 98 -3.308 7.335 0.071 1.00 0.68 H new ATOM 0 HB THR A 98 -1.645 9.426 0.153 1.00 0.76 H new ATOM 0 HG1 THR A 98 -4.227 8.722 0.897 1.00 0.88 H new ATOM 0 HG21 THR A 98 -2.759 11.448 -0.717 1.00 0.60 H new ATOM 0 HG22 THR A 98 -2.344 10.350 -2.054 1.00 0.60 H new ATOM 0 HG23 THR A 98 -4.022 10.444 -1.469 1.00 0.60 H new ATOM 1405 N PHE A 99 -5.291 7.698 -1.298 1.00 0.64 N ATOM 1406 CA PHE A 99 -6.452 7.651 -2.171 1.00 0.64 C ATOM 1407 C PHE A 99 -7.741 7.901 -1.385 1.00 0.69 C ATOM 1408 O PHE A 99 -7.807 7.620 -0.189 1.00 0.71 O ATOM 1409 CB PHE A 99 -6.501 6.246 -2.774 1.00 0.59 C ATOM 1410 CG PHE A 99 -6.958 5.164 -1.794 1.00 0.57 C ATOM 1411 CD1 PHE A 99 -6.049 4.543 -0.995 1.00 1.92 C ATOM 1412 CD2 PHE A 99 -8.272 4.822 -1.721 1.00 1.67 C ATOM 1413 CE1 PHE A 99 -6.473 3.538 -0.085 1.00 1.89 C ATOM 1414 CE2 PHE A 99 -8.696 3.819 -0.811 1.00 1.70 C ATOM 1415 CZ PHE A 99 -7.787 3.198 -0.012 1.00 0.55 C ATOM 0 H PHE A 99 -5.489 7.517 -0.314 1.00 0.64 H new ATOM 0 HA PHE A 99 -6.372 8.421 -2.938 1.00 0.64 H new ATOM 0 HB2 PHE A 99 -7.174 6.253 -3.631 1.00 0.59 H new ATOM 0 HB3 PHE A 99 -5.510 5.988 -3.148 1.00 0.59 H new ATOM 0 HD1 PHE A 99 -5.005 4.814 -1.052 1.00 1.92 H new ATOM 0 HD2 PHE A 99 -8.994 5.314 -2.356 1.00 1.67 H new ATOM 0 HE1 PHE A 99 -5.751 3.044 0.549 1.00 1.89 H new ATOM 0 HE2 PHE A 99 -9.740 3.549 -0.753 1.00 1.70 H new ATOM 0 HZ PHE A 99 -8.109 2.435 0.681 1.00 0.55 H new ATOM 1425 N LYS A 100 -8.732 8.427 -2.088 1.00 0.71 N ATOM 1426 CA LYS A 100 -10.015 8.718 -1.471 1.00 0.77 C ATOM 1427 C LYS A 100 -11.063 7.733 -1.994 1.00 0.79 C ATOM 1428 O LYS A 100 -10.867 7.107 -3.034 1.00 0.83 O ATOM 1429 CB LYS A 100 -10.391 10.185 -1.682 1.00 0.91 C ATOM 1430 CG LYS A 100 -9.675 11.086 -0.673 1.00 0.89 C ATOM 1431 CD LYS A 100 -8.241 11.378 -1.120 1.00 2.65 C ATOM 1432 CE LYS A 100 -7.542 12.321 -0.139 1.00 3.36 C ATOM 1433 NZ LYS A 100 -7.501 13.697 -0.684 1.00 3.99 N ATOM 0 H LYS A 100 -8.673 8.660 -3.079 1.00 0.71 H new ATOM 0 HA LYS A 100 -9.958 8.580 -0.391 1.00 0.77 H new ATOM 0 HB2 LYS A 100 -10.130 10.489 -2.696 1.00 0.91 H new ATOM 0 HB3 LYS A 100 -11.470 10.306 -1.581 1.00 0.91 H new ATOM 0 HG2 LYS A 100 -10.223 12.022 -0.563 1.00 0.89 H new ATOM 0 HG3 LYS A 100 -9.664 10.606 0.305 1.00 0.89 H new ATOM 0 HD2 LYS A 100 -7.682 10.445 -1.194 1.00 2.65 H new ATOM 0 HD3 LYS A 100 -8.250 11.824 -2.115 1.00 2.65 H new ATOM 0 HE2 LYS A 100 -8.068 12.317 0.816 1.00 3.36 H new ATOM 0 HE3 LYS A 100 -6.528 11.969 0.054 1.00 3.36 H new ATOM 0 HZ1 LYS A 100 -7.023 14.325 -0.006 1.00 3.99 H new ATOM 0 HZ2 LYS A 100 -6.980 13.699 -1.584 1.00 3.99 H new ATOM 0 HZ3 LYS A 100 -8.471 14.036 -0.845 1.00 3.99 H new ATOM 1447 N VAL A 101 -12.154 7.628 -1.249 1.00 0.80 N ATOM 1448 CA VAL A 101 -13.233 6.731 -1.625 1.00 0.84 C ATOM 1449 C VAL A 101 -14.570 7.460 -1.480 1.00 0.97 C ATOM 1450 O VAL A 101 -14.865 8.019 -0.426 1.00 1.12 O ATOM 1451 CB VAL A 101 -13.159 5.447 -0.795 1.00 0.75 C ATOM 1452 CG1 VAL A 101 -14.348 4.531 -1.094 1.00 0.86 C ATOM 1453 CG2 VAL A 101 -11.834 4.718 -1.028 1.00 0.66 C ATOM 0 H VAL A 101 -12.314 8.149 -0.387 1.00 0.80 H new ATOM 0 HA VAL A 101 -13.136 6.434 -2.669 1.00 0.84 H new ATOM 0 HB VAL A 101 -13.207 5.726 0.258 1.00 0.75 H new ATOM 0 HG11 VAL A 101 -14.271 3.626 -0.491 1.00 0.86 H new ATOM 0 HG12 VAL A 101 -15.276 5.049 -0.853 1.00 0.86 H new ATOM 0 HG13 VAL A 101 -14.345 4.264 -2.151 1.00 0.86 H new ATOM 0 HG21 VAL A 101 -11.808 3.809 -0.426 1.00 0.66 H new ATOM 0 HG22 VAL A 101 -11.743 4.458 -2.082 1.00 0.66 H new ATOM 0 HG23 VAL A 101 -11.006 5.367 -0.741 1.00 0.66 H new ATOM 1463 N LYS A 102 -15.343 7.430 -2.556 1.00 0.93 N ATOM 1464 CA LYS A 102 -16.642 8.080 -2.563 1.00 1.05 C ATOM 1465 C LYS A 102 -17.741 7.016 -2.578 1.00 1.13 C ATOM 1466 O LYS A 102 -18.620 7.015 -1.717 1.00 1.55 O ATOM 1467 CB LYS A 102 -16.736 9.078 -3.720 1.00 1.02 C ATOM 1468 CG LYS A 102 -15.587 10.086 -3.669 1.00 1.07 C ATOM 1469 CD LYS A 102 -16.065 11.483 -4.070 1.00 1.86 C ATOM 1470 CE LYS A 102 -15.251 12.566 -3.360 1.00 2.18 C ATOM 1471 NZ LYS A 102 -15.853 13.900 -3.588 1.00 3.10 N ATOM 1472 OXT LYS A 102 -17.773 6.140 -1.716 1.00 1.53 O ATOM 0 H LYS A 102 -15.094 6.965 -3.429 1.00 0.93 H new ATOM 0 HA LYS A 102 -16.779 8.666 -1.654 1.00 1.05 H new ATOM 0 HB2 LYS A 102 -16.713 8.543 -4.669 1.00 1.02 H new ATOM 0 HB3 LYS A 102 -17.689 9.605 -3.674 1.00 1.02 H new ATOM 0 HG2 LYS A 102 -15.169 10.116 -2.663 1.00 1.07 H new ATOM 0 HG3 LYS A 102 -14.787 9.766 -4.337 1.00 1.07 H new ATOM 0 HD2 LYS A 102 -15.976 11.606 -5.149 1.00 1.86 H new ATOM 0 HD3 LYS A 102 -17.120 11.595 -3.822 1.00 1.86 H new ATOM 0 HE2 LYS A 102 -15.210 12.357 -2.291 1.00 2.18 H new ATOM 0 HE3 LYS A 102 -14.224 12.556 -3.726 1.00 2.18 H new ATOM 0 HZ1 LYS A 102 -15.288 14.624 -3.099 1.00 3.10 H new ATOM 0 HZ2 LYS A 102 -15.869 14.104 -4.608 1.00 3.10 H new ATOM 0 HZ3 LYS A 102 -16.825 13.910 -3.217 1.00 3.10 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.991 0.608 -6.022 1.00 1.67 CU