USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 65 ASN : amide:sc= 0.0482 K(o=0.12,f=-1.5) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -129:sc= 0.0724 (180deg=0) USER MOD Set 2.1: A 36 SER OG : rot 180:sc= -0.0723 USER MOD Set 2.2: A 38 GLN : amide:sc= 0 K(o=-0.072,f=-1.1) USER MOD Set 3.1: A 30 THR OG1 : rot -82:sc= -0.151 USER MOD Set 3.2: A 33 GLN : amide:sc= 0.701 K(o=0.55,f=-2!) USER MOD Single : A 20 MET CE :methyl 170:sc= -0.0404 (180deg=-0.2) USER MOD Single : A 26 GLN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00912) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0465) USER MOD Single : A 49 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.0075) USER MOD Single : A 51 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-5.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 55 SER OG : rot -66:sc= 0.159 USER MOD Single : A 60 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.16) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= -0.0036 (180deg=-0.0681) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -33:sc= 0.393 USER MOD Single : A 74 ASN : amide:sc= 0.626 K(o=0.63,f=-5.7!) USER MOD Single : A 75 LYS NZ :NH3+ 150:sc= 1.96 (180deg=0.193) USER MOD Single : A 77 HIS : no HD1:sc= 0.00821 X(o=0.0082,f=-0.12) USER MOD Single : A 80 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 82 TYR OH : rot 56:sc= 0.0823 USER MOD Single : A 83 ASN : amide:sc= -0.236 K(o=-0.24,f=-0.91) USER MOD Single : A 84 HIS : no HD1:sc= -0.345 X(o=-0.34,f=0.069) USER MOD Single : A 88 THR OG1 : rot -60:sc= 0.516 USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0039) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 -2.140 -0.046 15.482 1.00 0.00 N ATOM 2 CA MET A 20 -1.514 -0.611 14.262 1.00 0.00 C ATOM 3 C MET A 20 -1.830 -2.120 14.129 1.00 0.00 C ATOM 4 O MET A 20 -1.671 -2.700 13.050 1.00 0.00 O ATOM 5 CB MET A 20 0.017 -0.343 14.276 1.00 0.00 C ATOM 6 CG MET A 20 0.723 -0.587 12.932 1.00 0.00 C ATOM 7 SD MET A 20 0.001 0.375 11.568 1.00 0.00 S ATOM 8 CE MET A 20 0.180 2.067 12.145 1.00 0.00 C ATOM 0 HA MET A 20 -1.935 -0.116 13.387 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.189 0.690 14.579 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.477 -0.978 15.033 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.778 -0.333 13.030 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.672 -1.648 12.688 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.058 2.755 11.334 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.500 2.241 12.979 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.206 2.233 12.473 1.00 0.00 H new ATOM 18 N ALA A 21 -2.301 -2.749 15.231 1.00 0.00 N ATOM 19 CA ALA A 21 -2.736 -4.157 15.230 1.00 0.00 C ATOM 20 C ALA A 21 -4.033 -4.297 14.408 1.00 0.00 C ATOM 21 O ALA A 21 -5.096 -3.854 14.860 1.00 0.00 O ATOM 22 CB ALA A 21 -2.931 -4.665 16.673 1.00 0.00 C ATOM 0 H ALA A 21 -2.388 -2.293 16.139 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.964 -4.772 14.767 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.252 -5.706 16.652 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.990 -4.587 17.217 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.689 -4.061 17.172 1.00 0.00 H new ATOM 28 N ALA A 22 -3.898 -4.857 13.184 1.00 0.00 N ATOM 29 CA ALA A 22 -4.987 -5.006 12.201 1.00 0.00 C ATOM 30 C ALA A 22 -5.532 -3.622 11.771 1.00 0.00 C ATOM 31 O ALA A 22 -6.721 -3.317 11.937 1.00 0.00 O ATOM 32 CB ALA A 22 -6.096 -5.947 12.723 1.00 0.00 C ATOM 0 H ALA A 22 -3.008 -5.225 12.848 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.580 -5.480 11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.882 -6.034 11.973 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.674 -6.932 12.922 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.515 -5.540 13.643 1.00 0.00 H new ATOM 38 N ALA A 23 -4.619 -2.776 11.262 1.00 0.00 N ATOM 39 CA ALA A 23 -4.946 -1.434 10.745 1.00 0.00 C ATOM 40 C ALA A 23 -5.224 -1.519 9.235 1.00 0.00 C ATOM 41 O ALA A 23 -4.328 -1.883 8.466 1.00 0.00 O ATOM 42 CB ALA A 23 -3.788 -0.459 11.043 1.00 0.00 C ATOM 0 H ALA A 23 -3.627 -3.005 11.197 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.841 -1.057 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.037 0.530 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.630 -0.400 12.120 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.878 -0.817 10.562 1.00 0.00 H new ATOM 48 N VAL A 24 -6.469 -1.204 8.827 1.00 0.00 N ATOM 49 CA VAL A 24 -6.917 -1.277 7.417 1.00 0.00 C ATOM 50 C VAL A 24 -6.155 -0.260 6.530 1.00 0.00 C ATOM 51 O VAL A 24 -5.815 0.839 6.994 1.00 0.00 O ATOM 52 CB VAL A 24 -8.480 -1.055 7.283 1.00 0.00 C ATOM 53 CG1 VAL A 24 -9.253 -2.216 7.945 1.00 0.00 C ATOM 54 CG2 VAL A 24 -8.915 0.316 7.871 1.00 0.00 C ATOM 0 H VAL A 24 -7.198 -0.890 9.468 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.688 -2.283 7.066 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.725 -1.043 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.325 -2.045 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.987 -3.154 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.994 -2.269 9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.993 0.433 7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.651 0.359 8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.407 1.119 7.337 1.00 0.00 H new ATOM 64 N PRO A 25 -5.862 -0.610 5.235 1.00 0.00 N ATOM 65 CA PRO A 25 -5.082 0.244 4.332 1.00 0.00 C ATOM 66 C PRO A 25 -5.891 1.438 3.822 1.00 0.00 C ATOM 67 O PRO A 25 -6.718 1.314 2.908 1.00 0.00 O ATOM 68 CB PRO A 25 -4.662 -0.687 3.161 1.00 0.00 C ATOM 69 CG PRO A 25 -5.175 -2.046 3.531 1.00 0.00 C ATOM 70 CD PRO A 25 -6.275 -1.844 4.542 1.00 0.00 C ATOM 0 HA PRO A 25 -4.224 0.679 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.090 -0.349 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.579 -0.696 3.035 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.551 -2.568 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.376 -2.659 3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.248 -1.732 4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.352 -2.687 5.229 1.00 0.00 H new ATOM 78 N GLN A 26 -5.675 2.568 4.474 1.00 0.00 N ATOM 79 CA GLN A 26 -6.094 3.873 3.982 1.00 0.00 C ATOM 80 C GLN A 26 -5.077 4.286 2.917 1.00 0.00 C ATOM 81 O GLN A 26 -3.871 4.386 3.228 1.00 0.00 O ATOM 82 CB GLN A 26 -6.144 4.910 5.136 1.00 0.00 C ATOM 83 CG GLN A 26 -7.152 4.581 6.259 1.00 0.00 C ATOM 84 CD GLN A 26 -7.197 5.628 7.382 1.00 0.00 C ATOM 85 OE1 GLN A 26 -8.246 5.871 7.975 1.00 0.00 O ATOM 86 NE2 GLN A 26 -6.059 6.233 7.715 1.00 0.00 N ATOM 0 H GLN A 26 -5.196 2.607 5.374 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.099 3.827 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.149 4.994 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.392 5.886 4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.147 4.486 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.898 3.612 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.200 6.017 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.046 6.913 8.475 1.00 0.00 H new ATOM 95 N ARG A 27 -5.545 4.442 1.663 1.00 0.00 N ATOM 96 CA ARG A 27 -4.669 4.767 0.529 1.00 0.00 C ATOM 97 C ARG A 27 -3.853 6.044 0.808 1.00 0.00 C ATOM 98 O ARG A 27 -4.399 7.102 1.137 1.00 0.00 O ATOM 99 CB ARG A 27 -5.418 4.891 -0.822 1.00 0.00 C ATOM 100 CG ARG A 27 -6.482 6.012 -0.936 1.00 0.00 C ATOM 101 CD ARG A 27 -7.824 5.622 -0.313 1.00 0.00 C ATOM 102 NE ARG A 27 -8.840 6.680 -0.440 1.00 0.00 N ATOM 103 CZ ARG A 27 -10.057 6.645 0.122 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.434 5.616 0.878 1.00 0.00 N ATOM 105 NH2 ARG A 27 -10.889 7.659 -0.063 1.00 0.00 N ATOM 0 H ARG A 27 -6.529 4.347 1.413 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.991 3.919 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.678 5.046 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.906 3.938 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.108 6.912 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.633 6.258 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.191 4.713 -0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.676 5.391 0.742 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.600 7.500 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.793 4.838 1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.363 5.605 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.602 8.458 -0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.817 7.641 0.361 1.00 0.00 H new ATOM 119 N ALA A 28 -2.539 5.887 0.724 1.00 0.00 N ATOM 120 CA ALA A 28 -1.565 6.951 1.015 1.00 0.00 C ATOM 121 C ALA A 28 -1.514 7.944 -0.149 1.00 0.00 C ATOM 122 O ALA A 28 -1.395 9.157 0.045 1.00 0.00 O ATOM 123 CB ALA A 28 -0.181 6.328 1.274 1.00 0.00 C ATOM 0 H ALA A 28 -2.105 5.006 0.448 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.871 7.493 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.539 7.118 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.241 5.650 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.140 5.775 0.391 1.00 0.00 H new ATOM 129 N TRP A 29 -1.631 7.395 -1.365 1.00 0.00 N ATOM 130 CA TRP A 29 -1.552 8.150 -2.625 1.00 0.00 C ATOM 131 C TRP A 29 -2.857 7.964 -3.403 1.00 0.00 C ATOM 132 O TRP A 29 -3.485 6.903 -3.306 1.00 0.00 O ATOM 133 CB TRP A 29 -0.356 7.630 -3.464 1.00 0.00 C ATOM 134 CG TRP A 29 0.900 7.401 -2.648 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.695 8.353 -2.077 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.487 6.135 -2.305 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.725 7.758 -1.400 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.622 6.401 -1.529 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.159 4.805 -2.585 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.433 5.391 -1.021 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.963 3.805 -2.084 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.092 4.101 -1.311 1.00 0.00 C ATOM 0 H TRP A 29 -1.786 6.397 -1.505 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.405 9.209 -2.415 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.641 6.696 -3.948 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.139 8.346 -4.256 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.535 9.419 -2.149 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.454 8.249 -0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.292 4.566 -3.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.300 5.619 -0.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.718 2.774 -2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.705 3.294 -0.937 1.00 0.00 H new ATOM 153 N THR A 30 -3.255 8.990 -4.161 1.00 0.00 N ATOM 154 CA THR A 30 -4.441 8.934 -5.029 1.00 0.00 C ATOM 155 C THR A 30 -4.059 8.361 -6.407 1.00 0.00 C ATOM 156 O THR A 30 -2.872 8.146 -6.681 1.00 0.00 O ATOM 157 CB THR A 30 -5.066 10.354 -5.193 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.097 11.253 -5.751 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.584 10.914 -3.853 1.00 0.00 C ATOM 0 H THR A 30 -2.766 9.884 -4.192 1.00 0.00 H new ATOM 0 HA THR A 30 -5.181 8.282 -4.565 1.00 0.00 H new ATOM 0 HB THR A 30 -5.918 10.262 -5.867 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.509 11.582 -5.040 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.011 11.904 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.349 10.249 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.758 10.985 -3.145 1.00 0.00 H new ATOM 167 N VAL A 31 -5.066 8.160 -7.277 1.00 0.00 N ATOM 168 CA VAL A 31 -4.880 7.592 -8.631 1.00 0.00 C ATOM 169 C VAL A 31 -3.857 8.408 -9.451 1.00 0.00 C ATOM 170 O VAL A 31 -2.950 7.837 -10.067 1.00 0.00 O ATOM 171 CB VAL A 31 -6.259 7.509 -9.386 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.108 7.185 -10.894 1.00 0.00 C ATOM 173 CG2 VAL A 31 -7.184 6.488 -8.692 1.00 0.00 C ATOM 0 H VAL A 31 -6.037 8.387 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.482 6.583 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.711 8.499 -9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.094 7.142 -11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.515 7.962 -11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.609 6.223 -11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.135 6.439 -9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.713 5.505 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.359 6.797 -7.662 1.00 0.00 H new ATOM 183 N GLU A 32 -4.008 9.747 -9.417 1.00 0.00 N ATOM 184 CA GLU A 32 -3.134 10.680 -10.152 1.00 0.00 C ATOM 185 C GLU A 32 -1.698 10.666 -9.591 1.00 0.00 C ATOM 186 O GLU A 32 -0.732 10.680 -10.366 1.00 0.00 O ATOM 187 CB GLU A 32 -3.718 12.122 -10.122 1.00 0.00 C ATOM 188 CG GLU A 32 -3.863 12.745 -8.715 1.00 0.00 C ATOM 189 CD GLU A 32 -4.325 14.203 -8.751 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.510 15.076 -9.111 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.504 14.487 -8.445 1.00 0.00 O ATOM 0 H GLU A 32 -4.740 10.211 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.091 10.345 -11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.079 12.768 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.698 12.110 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.576 12.158 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.906 12.686 -8.197 1.00 0.00 H new ATOM 198 N GLN A 33 -1.570 10.627 -8.242 1.00 0.00 N ATOM 199 CA GLN A 33 -0.262 10.573 -7.554 1.00 0.00 C ATOM 200 C GLN A 33 0.522 9.318 -7.962 1.00 0.00 C ATOM 201 O GLN A 33 1.741 9.376 -8.122 1.00 0.00 O ATOM 202 CB GLN A 33 -0.438 10.625 -6.009 1.00 0.00 C ATOM 203 CG GLN A 33 -0.945 11.976 -5.478 1.00 0.00 C ATOM 204 CD GLN A 33 -1.123 12.000 -3.957 1.00 0.00 C ATOM 205 OE1 GLN A 33 -2.196 11.707 -3.439 1.00 0.00 O ATOM 206 NE2 GLN A 33 -0.067 12.338 -3.228 1.00 0.00 N ATOM 0 H GLN A 33 -2.367 10.632 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 33 0.309 11.449 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.136 9.844 -5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.518 10.398 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.244 12.759 -5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.898 12.211 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.813 12.577 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.135 12.359 -2.210 1.00 0.00 H new ATOM 215 N LEU A 34 -0.195 8.203 -8.161 1.00 0.00 N ATOM 216 CA LEU A 34 0.412 6.932 -8.578 1.00 0.00 C ATOM 217 C LEU A 34 0.898 7.022 -10.026 1.00 0.00 C ATOM 218 O LEU A 34 2.068 6.765 -10.303 1.00 0.00 O ATOM 219 CB LEU A 34 -0.594 5.781 -8.443 1.00 0.00 C ATOM 220 CG LEU A 34 -1.111 5.510 -7.010 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.244 4.493 -7.038 1.00 0.00 C ATOM 222 CD2 LEU A 34 0.022 5.053 -6.067 1.00 0.00 C ATOM 0 H LEU A 34 -1.207 8.157 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 34 1.263 6.735 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.449 5.993 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.130 4.870 -8.821 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.497 6.449 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.597 4.313 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.064 4.878 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.883 3.558 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.384 4.873 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.465 4.134 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.786 5.829 -6.013 1.00 0.00 H new ATOM 234 N ARG A 35 -0.009 7.469 -10.927 1.00 0.00 N ATOM 235 CA ARG A 35 0.267 7.613 -12.378 1.00 0.00 C ATOM 236 C ARG A 35 1.467 8.539 -12.641 1.00 0.00 C ATOM 237 O ARG A 35 2.163 8.384 -13.653 1.00 0.00 O ATOM 238 CB ARG A 35 -0.982 8.143 -13.127 1.00 0.00 C ATOM 239 CG ARG A 35 -2.165 7.156 -13.186 1.00 0.00 C ATOM 240 CD ARG A 35 -3.343 7.691 -14.015 1.00 0.00 C ATOM 241 NE ARG A 35 -4.000 8.860 -13.387 1.00 0.00 N ATOM 242 CZ ARG A 35 -4.122 10.081 -13.934 1.00 0.00 C ATOM 243 NH1 ARG A 35 -3.519 10.388 -15.085 1.00 0.00 N ATOM 244 NH2 ARG A 35 -4.836 11.002 -13.310 1.00 0.00 N ATOM 0 H ARG A 35 -0.957 7.741 -10.667 1.00 0.00 H new ATOM 0 HA ARG A 35 0.515 6.621 -12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.316 9.061 -12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.694 8.405 -14.145 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.825 6.212 -13.613 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.506 6.943 -12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.987 7.969 -15.007 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.077 6.897 -14.151 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.395 8.726 -12.456 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.953 9.689 -15.566 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.625 11.321 -15.483 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.288 10.782 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.935 11.932 -13.716 1.00 0.00 H new ATOM 258 N SER A 36 1.681 9.488 -11.711 1.00 0.00 N ATOM 259 CA SER A 36 2.826 10.399 -11.712 1.00 0.00 C ATOM 260 C SER A 36 4.152 9.617 -11.784 1.00 0.00 C ATOM 261 O SER A 36 4.425 8.757 -10.935 1.00 0.00 O ATOM 262 CB SER A 36 2.792 11.278 -10.446 1.00 0.00 C ATOM 263 OG SER A 36 3.897 12.163 -10.370 1.00 0.00 O ATOM 0 H SER A 36 1.048 9.641 -10.926 1.00 0.00 H new ATOM 0 HA SER A 36 2.762 11.036 -12.594 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.867 11.855 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.782 10.638 -9.564 1.00 0.00 H new ATOM 0 HG SER A 36 3.831 12.700 -9.553 1.00 0.00 H new ATOM 269 N GLU A 37 4.945 9.919 -12.824 1.00 0.00 N ATOM 270 CA GLU A 37 6.263 9.300 -13.063 1.00 0.00 C ATOM 271 C GLU A 37 7.313 9.785 -12.032 1.00 0.00 C ATOM 272 O GLU A 37 8.441 9.269 -11.995 1.00 0.00 O ATOM 273 CB GLU A 37 6.725 9.591 -14.523 1.00 0.00 C ATOM 274 CG GLU A 37 6.773 11.089 -14.892 1.00 0.00 C ATOM 275 CD GLU A 37 7.185 11.343 -16.350 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.297 11.392 -17.231 1.00 0.00 O ATOM 277 OE2 GLU A 37 8.400 11.479 -16.626 1.00 0.00 O ATOM 0 H GLU A 37 4.688 10.607 -13.532 1.00 0.00 H new ATOM 0 HA GLU A 37 6.168 8.222 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.716 9.162 -14.670 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.052 9.081 -15.212 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.792 11.531 -14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.474 11.597 -14.230 1.00 0.00 H new ATOM 284 N GLN A 38 6.935 10.800 -11.224 1.00 0.00 N ATOM 285 CA GLN A 38 7.694 11.233 -10.039 1.00 0.00 C ATOM 286 C GLN A 38 7.683 10.120 -8.982 1.00 0.00 C ATOM 287 O GLN A 38 8.726 9.766 -8.432 1.00 0.00 O ATOM 288 CB GLN A 38 7.072 12.525 -9.450 1.00 0.00 C ATOM 289 CG GLN A 38 7.061 13.723 -10.419 1.00 0.00 C ATOM 290 CD GLN A 38 6.294 14.932 -9.866 1.00 0.00 C ATOM 291 OE1 GLN A 38 5.328 14.781 -9.118 1.00 0.00 O ATOM 292 NE2 GLN A 38 6.718 16.133 -10.213 1.00 0.00 N ATOM 0 H GLN A 38 6.086 11.344 -11.381 1.00 0.00 H new ATOM 0 HA GLN A 38 8.723 11.440 -10.333 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.048 12.313 -9.141 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.624 12.804 -8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.088 14.018 -10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.612 13.416 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.521 16.231 -10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.243 16.963 -9.860 1.00 0.00 H new ATOM 301 N LEU A 39 6.481 9.578 -8.720 1.00 0.00 N ATOM 302 CA LEU A 39 6.277 8.495 -7.747 1.00 0.00 C ATOM 303 C LEU A 39 6.750 7.166 -8.397 1.00 0.00 C ATOM 304 O LEU A 39 6.178 6.766 -9.410 1.00 0.00 O ATOM 305 CB LEU A 39 4.764 8.441 -7.326 1.00 0.00 C ATOM 306 CG LEU A 39 4.425 7.806 -5.923 1.00 0.00 C ATOM 307 CD1 LEU A 39 2.950 8.027 -5.541 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.760 6.308 -5.852 1.00 0.00 C ATOM 0 H LEU A 39 5.622 9.881 -9.179 1.00 0.00 H new ATOM 0 HA LEU A 39 6.857 8.666 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.374 9.459 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.222 7.882 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 39 5.059 8.324 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.754 7.576 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.743 9.096 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.307 7.566 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.506 5.925 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.187 5.771 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.825 6.164 -6.034 1.00 0.00 H new ATOM 320 N PRO A 40 7.809 6.481 -7.838 1.00 0.00 N ATOM 321 CA PRO A 40 8.295 5.164 -8.342 1.00 0.00 C ATOM 322 C PRO A 40 7.247 4.032 -8.263 1.00 0.00 C ATOM 323 O PRO A 40 6.229 4.152 -7.593 1.00 0.00 O ATOM 324 CB PRO A 40 9.518 4.856 -7.430 1.00 0.00 C ATOM 325 CG PRO A 40 9.931 6.192 -6.895 1.00 0.00 C ATOM 326 CD PRO A 40 8.639 6.946 -6.698 1.00 0.00 C ATOM 0 HA PRO A 40 8.533 5.216 -9.404 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.251 4.171 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.325 4.387 -7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.477 6.091 -5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.589 6.711 -7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.176 6.712 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.793 8.025 -6.723 1.00 0.00 H new ATOM 334 N LYS A 41 7.527 2.931 -8.970 1.00 0.00 N ATOM 335 CA LYS A 41 6.646 1.748 -9.004 1.00 0.00 C ATOM 336 C LYS A 41 6.868 0.860 -7.769 1.00 0.00 C ATOM 337 O LYS A 41 5.952 0.154 -7.346 1.00 0.00 O ATOM 338 CB LYS A 41 6.906 0.932 -10.303 1.00 0.00 C ATOM 339 CG LYS A 41 6.617 1.713 -11.603 1.00 0.00 C ATOM 340 CD LYS A 41 6.809 0.870 -12.883 1.00 0.00 C ATOM 341 CE LYS A 41 8.242 0.331 -13.047 1.00 0.00 C ATOM 342 NZ LYS A 41 9.253 1.411 -13.143 1.00 0.00 N ATOM 0 H LYS A 41 8.370 2.831 -9.536 1.00 0.00 H new ATOM 0 HA LYS A 41 5.611 2.090 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.945 0.604 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.288 0.034 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.593 2.086 -11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.272 2.583 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.113 0.032 -12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.555 1.478 -13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.483 -0.312 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.292 -0.289 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.192 0.994 -13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.014 2.041 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.263 1.957 -12.258 1.00 0.00 H new ATOM 356 N LYS A 42 8.077 0.937 -7.190 1.00 0.00 N ATOM 357 CA LYS A 42 8.525 0.031 -6.118 1.00 0.00 C ATOM 358 C LYS A 42 7.698 0.184 -4.819 1.00 0.00 C ATOM 359 O LYS A 42 7.239 -0.816 -4.256 1.00 0.00 O ATOM 360 CB LYS A 42 10.044 0.242 -5.849 1.00 0.00 C ATOM 361 CG LYS A 42 10.452 1.688 -5.466 1.00 0.00 C ATOM 362 CD LYS A 42 11.974 1.856 -5.228 1.00 0.00 C ATOM 363 CE LYS A 42 12.815 1.583 -6.488 1.00 0.00 C ATOM 364 NZ LYS A 42 14.267 1.774 -6.248 1.00 0.00 N ATOM 0 H LYS A 42 8.775 1.633 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 42 8.360 -0.991 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.351 -0.430 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.599 -0.051 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.139 2.368 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.916 1.982 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.172 2.870 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.289 1.178 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.636 0.563 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.491 2.247 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.792 1.579 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.443 2.754 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.584 1.123 -5.502 1.00 0.00 H new ATOM 378 N ASP A 43 7.498 1.434 -4.368 1.00 0.00 N ATOM 379 CA ASP A 43 6.787 1.722 -3.105 1.00 0.00 C ATOM 380 C ASP A 43 5.274 1.487 -3.234 1.00 0.00 C ATOM 381 O ASP A 43 4.594 1.246 -2.233 1.00 0.00 O ATOM 382 CB ASP A 43 7.105 3.145 -2.572 1.00 0.00 C ATOM 383 CG ASP A 43 6.783 4.293 -3.533 1.00 0.00 C ATOM 384 OD1 ASP A 43 7.293 4.279 -4.678 1.00 0.00 O ATOM 385 OD2 ASP A 43 6.094 5.252 -3.121 1.00 0.00 O ATOM 0 H ASP A 43 7.820 2.267 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 43 7.159 1.014 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.549 3.301 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.164 3.192 -2.319 1.00 0.00 H new ATOM 390 N ILE A 44 4.759 1.554 -4.469 1.00 0.00 N ATOM 391 CA ILE A 44 3.363 1.174 -4.784 1.00 0.00 C ATOM 392 C ILE A 44 3.168 -0.343 -4.582 1.00 0.00 C ATOM 393 O ILE A 44 2.263 -0.765 -3.861 1.00 0.00 O ATOM 394 CB ILE A 44 2.966 1.563 -6.257 1.00 0.00 C ATOM 395 CG1 ILE A 44 3.218 3.078 -6.503 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.493 1.186 -6.573 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.895 3.565 -7.910 1.00 0.00 C ATOM 0 H ILE A 44 5.291 1.871 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 44 2.714 1.725 -4.103 1.00 0.00 H new ATOM 0 HB ILE A 44 3.598 0.990 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.623 3.650 -5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.265 3.296 -6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.257 1.470 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.359 0.111 -6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.828 1.712 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.103 4.632 -7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.509 3.026 -8.632 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.841 3.386 -8.124 1.00 0.00 H new ATOM 409 N ILE A 45 4.043 -1.140 -5.219 1.00 0.00 N ATOM 410 CA ILE A 45 4.034 -2.617 -5.093 1.00 0.00 C ATOM 411 C ILE A 45 4.251 -3.034 -3.620 1.00 0.00 C ATOM 412 O ILE A 45 3.656 -4.011 -3.163 1.00 0.00 O ATOM 413 CB ILE A 45 5.144 -3.267 -6.006 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.916 -2.873 -7.496 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.203 -4.814 -5.846 1.00 0.00 C ATOM 416 CD1 ILE A 45 6.043 -3.258 -8.435 1.00 0.00 C ATOM 0 H ILE A 45 4.775 -0.786 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 45 3.060 -2.977 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 45 6.108 -2.876 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.996 -3.342 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.766 -1.795 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.981 -5.217 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.428 -5.064 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.241 -5.245 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.795 -2.944 -9.449 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.964 -2.768 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.181 -4.339 -8.414 1.00 0.00 H new ATOM 428 N LYS A 46 5.075 -2.250 -2.893 1.00 0.00 N ATOM 429 CA LYS A 46 5.323 -2.438 -1.452 1.00 0.00 C ATOM 430 C LYS A 46 3.988 -2.311 -0.690 1.00 0.00 C ATOM 431 O LYS A 46 3.635 -3.185 0.078 1.00 0.00 O ATOM 432 CB LYS A 46 6.365 -1.394 -0.925 1.00 0.00 C ATOM 433 CG LYS A 46 7.178 -1.796 0.344 1.00 0.00 C ATOM 434 CD LYS A 46 6.333 -2.082 1.608 1.00 0.00 C ATOM 435 CE LYS A 46 7.192 -2.444 2.835 1.00 0.00 C ATOM 436 NZ LYS A 46 8.069 -1.327 3.268 1.00 0.00 N ATOM 0 H LYS A 46 5.589 -1.465 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 46 5.741 -3.431 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.071 -1.182 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.837 -0.465 -0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.766 -2.684 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.883 -0.997 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.728 -1.206 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.643 -2.900 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.539 -2.729 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.806 -3.313 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.536 -1.579 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.790 -1.149 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.497 -0.470 3.405 1.00 0.00 H new ATOM 450 N PHE A 47 3.258 -1.220 -0.977 1.00 0.00 N ATOM 451 CA PHE A 47 1.945 -0.911 -0.355 1.00 0.00 C ATOM 452 C PHE A 47 0.916 -2.034 -0.610 1.00 0.00 C ATOM 453 O PHE A 47 0.206 -2.477 0.309 1.00 0.00 O ATOM 454 CB PHE A 47 1.426 0.448 -0.910 1.00 0.00 C ATOM 455 CG PHE A 47 -0.018 0.826 -0.538 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.431 0.858 0.795 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.959 1.153 -1.522 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.730 1.198 1.132 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.258 1.494 -1.182 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.643 1.519 0.145 1.00 0.00 C ATOM 0 H PHE A 47 3.559 -0.517 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 47 2.078 -0.839 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.089 1.238 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.506 0.427 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.274 0.614 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.668 1.139 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.031 1.212 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.971 1.741 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.655 1.789 0.410 1.00 0.00 H new ATOM 470 N LEU A 48 0.872 -2.492 -1.860 1.00 0.00 N ATOM 471 CA LEU A 48 -0.093 -3.492 -2.325 1.00 0.00 C ATOM 472 C LEU A 48 0.223 -4.898 -1.767 1.00 0.00 C ATOM 473 O LEU A 48 -0.692 -5.677 -1.526 1.00 0.00 O ATOM 474 CB LEU A 48 -0.135 -3.470 -3.878 1.00 0.00 C ATOM 475 CG LEU A 48 -0.579 -2.103 -4.514 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.501 -2.132 -6.054 1.00 0.00 C ATOM 477 CD2 LEU A 48 -1.993 -1.690 -4.041 1.00 0.00 C ATOM 0 H LEU A 48 1.512 -2.176 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.083 -3.239 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.855 -3.724 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.816 -4.250 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 48 0.126 -1.349 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.816 -1.168 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.525 -2.334 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.156 -2.915 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.267 -0.740 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.712 -2.455 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.997 -1.583 -2.956 1.00 0.00 H new ATOM 489 N GLN A 49 1.517 -5.217 -1.556 1.00 0.00 N ATOM 490 CA GLN A 49 1.938 -6.499 -0.922 1.00 0.00 C ATOM 491 C GLN A 49 1.937 -6.410 0.620 1.00 0.00 C ATOM 492 O GLN A 49 1.853 -7.435 1.300 1.00 0.00 O ATOM 493 CB GLN A 49 3.292 -7.010 -1.485 1.00 0.00 C ATOM 494 CG GLN A 49 4.545 -6.240 -1.041 1.00 0.00 C ATOM 495 CD GLN A 49 5.850 -6.760 -1.672 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.900 -6.752 -1.037 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.808 -7.189 -2.935 1.00 0.00 N ATOM 0 H GLN A 49 2.294 -4.609 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 49 1.190 -7.246 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.411 -8.054 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.242 -6.984 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.423 -5.187 -1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.629 -6.297 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.925 -7.187 -3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.659 -7.519 -3.390 1.00 0.00 H new ATOM 506 N GLU A 50 2.065 -5.178 1.142 1.00 0.00 N ATOM 507 CA GLU A 50 2.092 -4.881 2.594 1.00 0.00 C ATOM 508 C GLU A 50 0.812 -5.374 3.287 1.00 0.00 C ATOM 509 O GLU A 50 0.859 -5.888 4.408 1.00 0.00 O ATOM 510 CB GLU A 50 2.237 -3.341 2.801 1.00 0.00 C ATOM 511 CG GLU A 50 2.310 -2.837 4.261 1.00 0.00 C ATOM 512 CD GLU A 50 3.617 -3.200 4.986 1.00 0.00 C ATOM 513 OE1 GLU A 50 3.703 -4.300 5.575 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.561 -2.383 4.981 1.00 0.00 O ATOM 0 H GLU A 50 2.154 -4.344 0.562 1.00 0.00 H new ATOM 0 HA GLU A 50 2.941 -5.402 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.138 -3.012 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.393 -2.852 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.193 -1.753 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.470 -3.251 4.819 1.00 0.00 H new ATOM 521 N HIS A 51 -0.336 -5.214 2.609 1.00 0.00 N ATOM 522 CA HIS A 51 -1.656 -5.540 3.190 1.00 0.00 C ATOM 523 C HIS A 51 -2.524 -6.377 2.229 1.00 0.00 C ATOM 524 O HIS A 51 -3.342 -7.167 2.698 1.00 0.00 O ATOM 525 CB HIS A 51 -2.395 -4.243 3.636 1.00 0.00 C ATOM 526 CG HIS A 51 -2.059 -3.748 5.034 1.00 0.00 C ATOM 527 ND1 HIS A 51 -0.780 -3.682 5.536 1.00 0.00 N ATOM 528 CD2 HIS A 51 -2.861 -3.314 6.041 1.00 0.00 C ATOM 529 CE1 HIS A 51 -0.805 -3.235 6.775 1.00 0.00 C ATOM 530 NE2 HIS A 51 -2.056 -3.005 7.107 1.00 0.00 N ATOM 0 H HIS A 51 -0.380 -4.860 1.654 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.481 -6.156 4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.165 -3.451 2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.469 -4.420 3.580 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.937 -3.228 6.008 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.056 -3.083 7.410 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -2.376 -2.654 8.010 1.00 0.00 H new ATOM 539 N GLY A 52 -2.356 -6.204 0.901 1.00 0.00 N ATOM 540 CA GLY A 52 -3.075 -7.025 -0.095 1.00 0.00 C ATOM 541 C GLY A 52 -2.769 -8.514 0.064 1.00 0.00 C ATOM 542 O GLY A 52 -1.608 -8.906 -0.027 1.00 0.00 O ATOM 0 H GLY A 52 -1.732 -5.507 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.148 -6.862 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.798 -6.703 -1.099 1.00 0.00 H new ATOM 546 N SER A 53 -3.812 -9.328 0.319 1.00 0.00 N ATOM 547 CA SER A 53 -3.667 -10.759 0.684 1.00 0.00 C ATOM 548 C SER A 53 -3.199 -11.625 -0.516 1.00 0.00 C ATOM 549 O SER A 53 -3.081 -11.128 -1.642 1.00 0.00 O ATOM 550 CB SER A 53 -5.010 -11.261 1.263 1.00 0.00 C ATOM 551 OG SER A 53 -4.917 -12.579 1.782 1.00 0.00 O ATOM 0 H SER A 53 -4.782 -9.015 0.279 1.00 0.00 H new ATOM 0 HA SER A 53 -2.888 -10.855 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.337 -10.585 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.772 -11.233 0.484 1.00 0.00 H new ATOM 0 HG SER A 53 -5.788 -12.853 2.138 1.00 0.00 H new ATOM 557 N ASP A 54 -2.969 -12.932 -0.251 1.00 0.00 N ATOM 558 CA ASP A 54 -2.286 -13.863 -1.177 1.00 0.00 C ATOM 559 C ASP A 54 -2.985 -13.990 -2.544 1.00 0.00 C ATOM 560 O ASP A 54 -2.313 -14.122 -3.567 1.00 0.00 O ATOM 561 CB ASP A 54 -2.129 -15.266 -0.524 1.00 0.00 C ATOM 562 CG ASP A 54 -3.466 -15.981 -0.246 1.00 0.00 C ATOM 563 OD1 ASP A 54 -4.078 -15.720 0.808 1.00 0.00 O ATOM 564 OD2 ASP A 54 -3.917 -16.795 -1.088 1.00 0.00 O ATOM 0 H ASP A 54 -3.256 -13.374 0.622 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.302 -13.434 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.522 -15.893 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.583 -15.160 0.414 1.00 0.00 H new ATOM 569 N SER A 55 -4.331 -13.952 -2.542 1.00 0.00 N ATOM 570 CA SER A 55 -5.137 -14.083 -3.771 1.00 0.00 C ATOM 571 C SER A 55 -4.962 -12.834 -4.654 1.00 0.00 C ATOM 572 O SER A 55 -4.809 -12.951 -5.870 1.00 0.00 O ATOM 573 CB SER A 55 -6.628 -14.299 -3.426 1.00 0.00 C ATOM 574 OG SER A 55 -7.406 -14.550 -4.589 1.00 0.00 O ATOM 0 H SER A 55 -4.887 -13.831 -1.695 1.00 0.00 H new ATOM 0 HA SER A 55 -4.788 -14.955 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.724 -15.137 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.014 -13.418 -2.913 1.00 0.00 H new ATOM 0 HG SER A 55 -7.419 -13.749 -5.153 1.00 0.00 H new ATOM 580 N PHE A 56 -4.933 -11.651 -4.012 1.00 0.00 N ATOM 581 CA PHE A 56 -4.675 -10.368 -4.697 1.00 0.00 C ATOM 582 C PHE A 56 -3.299 -10.393 -5.378 1.00 0.00 C ATOM 583 O PHE A 56 -3.163 -10.078 -6.562 1.00 0.00 O ATOM 584 CB PHE A 56 -4.744 -9.196 -3.678 1.00 0.00 C ATOM 585 CG PHE A 56 -4.370 -7.824 -4.246 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.178 -7.197 -5.190 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.205 -7.167 -3.843 1.00 0.00 C ATOM 588 CE1 PHE A 56 -4.837 -5.961 -5.708 1.00 0.00 C ATOM 589 CE2 PHE A 56 -2.869 -5.935 -4.358 1.00 0.00 C ATOM 590 CZ PHE A 56 -3.682 -5.331 -5.294 1.00 0.00 C ATOM 0 H PHE A 56 -5.087 -11.556 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.439 -10.220 -5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.756 -9.143 -3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.080 -9.420 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.084 -7.682 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.557 -7.633 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.477 -5.488 -6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.967 -5.441 -4.028 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.415 -4.367 -5.702 1.00 0.00 H new ATOM 600 N LEU A 57 -2.298 -10.809 -4.596 1.00 0.00 N ATOM 601 CA LEU A 57 -0.902 -10.828 -5.026 1.00 0.00 C ATOM 602 C LEU A 57 -0.652 -11.866 -6.130 1.00 0.00 C ATOM 603 O LEU A 57 0.222 -11.667 -6.959 1.00 0.00 O ATOM 604 CB LEU A 57 0.017 -11.081 -3.815 1.00 0.00 C ATOM 605 CG LEU A 57 -0.041 -10.019 -2.677 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.995 -10.319 -1.568 1.00 0.00 C ATOM 607 CD2 LEU A 57 0.133 -8.591 -3.241 1.00 0.00 C ATOM 0 H LEU A 57 -2.437 -11.143 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.670 -9.852 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.235 -12.053 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.045 -11.146 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.029 -10.077 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.926 -9.558 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.792 -11.299 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.998 -10.312 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.088 -7.870 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.098 -8.513 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.664 -8.382 -3.954 1.00 0.00 H new ATOM 619 N ALA A 58 -1.400 -12.979 -6.112 1.00 0.00 N ATOM 620 CA ALA A 58 -1.269 -14.048 -7.124 1.00 0.00 C ATOM 621 C ALA A 58 -1.875 -13.626 -8.480 1.00 0.00 C ATOM 622 O ALA A 58 -1.217 -13.738 -9.523 1.00 0.00 O ATOM 623 CB ALA A 58 -1.938 -15.334 -6.606 1.00 0.00 C ATOM 0 H ALA A 58 -2.109 -13.167 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.208 -14.235 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.841 -16.121 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.454 -15.649 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.994 -15.143 -6.415 1.00 0.00 H new ATOM 629 N GLU A 59 -3.121 -13.120 -8.441 1.00 0.00 N ATOM 630 CA GLU A 59 -3.878 -12.707 -9.650 1.00 0.00 C ATOM 631 C GLU A 59 -3.239 -11.478 -10.328 1.00 0.00 C ATOM 632 O GLU A 59 -3.224 -11.369 -11.562 1.00 0.00 O ATOM 633 CB GLU A 59 -5.353 -12.400 -9.268 1.00 0.00 C ATOM 634 CG GLU A 59 -6.114 -13.589 -8.648 1.00 0.00 C ATOM 635 CD GLU A 59 -7.534 -13.215 -8.185 1.00 0.00 C ATOM 636 OE1 GLU A 59 -7.693 -12.710 -7.051 1.00 0.00 O ATOM 637 OE2 GLU A 59 -8.499 -13.402 -8.960 1.00 0.00 O ATOM 0 H GLU A 59 -3.637 -12.983 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.849 -13.531 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.367 -11.569 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.885 -12.070 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.176 -14.395 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.549 -13.972 -7.798 1.00 0.00 H new ATOM 644 N HIS A 60 -2.711 -10.556 -9.506 1.00 0.00 N ATOM 645 CA HIS A 60 -2.102 -9.298 -9.988 1.00 0.00 C ATOM 646 C HIS A 60 -0.566 -9.393 -10.057 1.00 0.00 C ATOM 647 O HIS A 60 0.075 -8.441 -10.507 1.00 0.00 O ATOM 648 CB HIS A 60 -2.525 -8.109 -9.087 1.00 0.00 C ATOM 649 CG HIS A 60 -4.007 -7.842 -9.052 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.584 -6.748 -9.646 1.00 0.00 N ATOM 651 CD2 HIS A 60 -5.020 -8.516 -8.457 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.879 -6.757 -9.417 1.00 0.00 C ATOM 653 NE2 HIS A 60 -6.170 -7.820 -8.696 1.00 0.00 N ATOM 0 H HIS A 60 -2.693 -10.658 -8.491 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.469 -9.127 -11.000 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.180 -8.300 -8.071 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.016 -7.210 -9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.934 -9.435 -7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.585 -6.017 -9.762 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.101 -8.080 -8.370 1.00 0.00 H new ATOM 662 N LYS A 61 -0.002 -10.538 -9.581 1.00 0.00 N ATOM 663 CA LYS A 61 1.459 -10.853 -9.646 1.00 0.00 C ATOM 664 C LYS A 61 2.327 -9.798 -8.927 1.00 0.00 C ATOM 665 O LYS A 61 3.402 -9.425 -9.399 1.00 0.00 O ATOM 666 CB LYS A 61 1.906 -11.082 -11.120 1.00 0.00 C ATOM 667 CG LYS A 61 1.270 -12.335 -11.765 1.00 0.00 C ATOM 668 CD LYS A 61 1.693 -12.526 -13.237 1.00 0.00 C ATOM 669 CE LYS A 61 1.142 -13.823 -13.849 1.00 0.00 C ATOM 670 NZ LYS A 61 -0.337 -13.867 -13.806 1.00 0.00 N ATOM 0 H LYS A 61 -0.550 -11.275 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 61 1.618 -11.784 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.644 -10.205 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.991 -11.177 -11.153 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.554 -13.218 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.184 -12.255 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.345 -11.676 -13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.781 -12.533 -13.300 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.478 -13.909 -14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.547 -14.680 -13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.675 -14.698 -14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.654 -13.930 -12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.723 -13.003 -14.238 1.00 0.00 H new ATOM 684 N LEU A 62 1.846 -9.351 -7.758 1.00 0.00 N ATOM 685 CA LEU A 62 2.519 -8.322 -6.936 1.00 0.00 C ATOM 686 C LEU A 62 3.252 -8.950 -5.734 1.00 0.00 C ATOM 687 O LEU A 62 3.848 -8.230 -4.924 1.00 0.00 O ATOM 688 CB LEU A 62 1.477 -7.281 -6.473 1.00 0.00 C ATOM 689 CG LEU A 62 0.718 -6.552 -7.627 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.363 -5.610 -7.080 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.694 -5.799 -8.563 1.00 0.00 C ATOM 0 H LEU A 62 0.975 -9.692 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 62 3.277 -7.826 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.747 -7.779 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.980 -6.533 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 62 0.219 -7.318 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.872 -5.119 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.086 -6.184 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.099 -4.857 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.131 -5.304 -9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.246 -5.054 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.394 -6.508 -9.005 1.00 0.00 H new ATOM 703 N LEU A 63 3.193 -10.294 -5.622 1.00 0.00 N ATOM 704 CA LEU A 63 3.941 -11.051 -4.589 1.00 0.00 C ATOM 705 C LEU A 63 5.428 -11.183 -4.958 1.00 0.00 C ATOM 706 O LEU A 63 5.808 -11.045 -6.125 1.00 0.00 O ATOM 707 CB LEU A 63 3.292 -12.457 -4.317 1.00 0.00 C ATOM 708 CG LEU A 63 2.782 -13.301 -5.542 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.914 -13.782 -6.471 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.928 -14.493 -5.052 1.00 0.00 C ATOM 0 H LEU A 63 2.632 -10.883 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 63 3.880 -10.481 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.024 -13.061 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.448 -12.307 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 63 2.164 -12.634 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.490 -14.357 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.449 -12.920 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.605 -14.409 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.581 -15.069 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.531 -15.131 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.069 -14.120 -4.494 1.00 0.00 H new ATOM 722 N GLY A 64 6.243 -11.479 -3.939 1.00 0.00 N ATOM 723 CA GLY A 64 7.660 -11.772 -4.120 1.00 0.00 C ATOM 724 C GLY A 64 8.532 -10.534 -4.057 1.00 0.00 C ATOM 725 O GLY A 64 8.132 -9.512 -3.479 1.00 0.00 O ATOM 0 H GLY A 64 5.934 -11.521 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.981 -12.476 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.804 -12.263 -5.082 1.00 0.00 H new ATOM 729 N ASN A 65 9.734 -10.647 -4.640 1.00 0.00 N ATOM 730 CA ASN A 65 10.720 -9.560 -4.685 1.00 0.00 C ATOM 731 C ASN A 65 10.157 -8.356 -5.461 1.00 0.00 C ATOM 732 O ASN A 65 9.841 -8.492 -6.645 1.00 0.00 O ATOM 733 CB ASN A 65 12.030 -10.059 -5.338 1.00 0.00 C ATOM 734 CG ASN A 65 12.708 -11.186 -4.553 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.544 -10.935 -3.686 1.00 0.00 O ATOM 736 ND2 ASN A 65 12.357 -12.435 -4.853 1.00 0.00 N ATOM 0 H ASN A 65 10.051 -11.502 -5.097 1.00 0.00 H new ATOM 0 HA ASN A 65 10.936 -9.241 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.814 -10.408 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.723 -9.223 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.785 -13.218 -4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.660 -12.609 -5.577 1.00 0.00 H new ATOM 743 N ILE A 66 10.028 -7.197 -4.769 1.00 0.00 N ATOM 744 CA ILE A 66 9.459 -5.951 -5.333 1.00 0.00 C ATOM 745 C ILE A 66 10.109 -5.597 -6.677 1.00 0.00 C ATOM 746 O ILE A 66 9.404 -5.360 -7.641 1.00 0.00 O ATOM 747 CB ILE A 66 9.620 -4.737 -4.344 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.868 -5.005 -3.009 1.00 0.00 C ATOM 749 CG2 ILE A 66 9.133 -3.410 -4.985 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.063 -3.941 -1.946 1.00 0.00 C ATOM 0 H ILE A 66 10.319 -7.102 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 66 8.397 -6.139 -5.488 1.00 0.00 H new ATOM 0 HB ILE A 66 10.683 -4.632 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.803 -5.097 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.197 -5.964 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.259 -2.594 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.717 -3.203 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.080 -3.499 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.502 -4.213 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.122 -3.862 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.705 -2.982 -2.321 1.00 0.00 H new ATOM 762 N LYS A 67 11.453 -5.555 -6.706 1.00 0.00 N ATOM 763 CA LYS A 67 12.232 -5.197 -7.911 1.00 0.00 C ATOM 764 C LYS A 67 11.993 -6.191 -9.079 1.00 0.00 C ATOM 765 O LYS A 67 11.889 -5.778 -10.241 1.00 0.00 O ATOM 766 CB LYS A 67 13.754 -5.055 -7.601 1.00 0.00 C ATOM 767 CG LYS A 67 14.504 -6.336 -7.118 1.00 0.00 C ATOM 768 CD LYS A 67 14.315 -6.641 -5.610 1.00 0.00 C ATOM 769 CE LYS A 67 15.190 -7.813 -5.129 1.00 0.00 C ATOM 770 NZ LYS A 67 15.081 -8.044 -3.667 1.00 0.00 N ATOM 0 H LYS A 67 12.033 -5.768 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 67 11.868 -4.221 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.250 -4.692 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.874 -4.285 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.155 -7.190 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.568 -6.223 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.556 -5.750 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.267 -6.872 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.899 -8.720 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.231 -7.614 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.033 -8.086 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.546 -7.266 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.587 -8.943 -3.493 1.00 0.00 H new ATOM 784 N ASN A 68 11.875 -7.496 -8.754 1.00 0.00 N ATOM 785 CA ASN A 68 11.556 -8.559 -9.741 1.00 0.00 C ATOM 786 C ASN A 68 10.173 -8.312 -10.385 1.00 0.00 C ATOM 787 O ASN A 68 9.968 -8.543 -11.585 1.00 0.00 O ATOM 788 CB ASN A 68 11.606 -9.952 -9.052 1.00 0.00 C ATOM 789 CG ASN A 68 11.168 -11.119 -9.946 1.00 0.00 C ATOM 790 OD1 ASN A 68 9.993 -11.475 -9.986 1.00 0.00 O ATOM 791 ND2 ASN A 68 12.101 -11.728 -10.662 1.00 0.00 N ATOM 0 H ASN A 68 11.997 -7.845 -7.804 1.00 0.00 H new ATOM 0 HA ASN A 68 12.301 -8.536 -10.536 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.623 -10.137 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.969 -9.929 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.851 -12.512 -11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 68 13.070 -11.413 -10.611 1.00 0.00 H new ATOM 798 N VAL A 69 9.234 -7.842 -9.555 1.00 0.00 N ATOM 799 CA VAL A 69 7.893 -7.449 -10.002 1.00 0.00 C ATOM 800 C VAL A 69 7.954 -6.111 -10.773 1.00 0.00 C ATOM 801 O VAL A 69 7.323 -5.970 -11.802 1.00 0.00 O ATOM 802 CB VAL A 69 6.906 -7.327 -8.779 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.492 -6.876 -9.217 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.830 -8.658 -7.997 1.00 0.00 C ATOM 0 H VAL A 69 9.383 -7.723 -8.553 1.00 0.00 H new ATOM 0 HA VAL A 69 7.517 -8.224 -10.670 1.00 0.00 H new ATOM 0 HB VAL A 69 7.307 -6.556 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.845 -6.805 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.555 -5.902 -9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.079 -7.603 -9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.143 -8.548 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.473 -9.448 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.820 -8.917 -7.623 1.00 0.00 H new ATOM 814 N ALA A 70 8.785 -5.171 -10.290 1.00 0.00 N ATOM 815 CA ALA A 70 8.851 -3.775 -10.788 1.00 0.00 C ATOM 816 C ALA A 70 9.438 -3.681 -12.202 1.00 0.00 C ATOM 817 O ALA A 70 9.108 -2.758 -12.948 1.00 0.00 O ATOM 818 CB ALA A 70 9.646 -2.888 -9.809 1.00 0.00 C ATOM 0 H ALA A 70 9.441 -5.357 -9.532 1.00 0.00 H new ATOM 0 HA ALA A 70 7.826 -3.410 -10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.684 -1.868 -10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.157 -2.893 -8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.660 -3.275 -9.708 1.00 0.00 H new ATOM 824 N LYS A 71 10.283 -4.653 -12.579 1.00 0.00 N ATOM 825 CA LYS A 71 10.917 -4.678 -13.913 1.00 0.00 C ATOM 826 C LYS A 71 9.930 -5.152 -15.000 1.00 0.00 C ATOM 827 O LYS A 71 10.177 -4.956 -16.192 1.00 0.00 O ATOM 828 CB LYS A 71 12.189 -5.562 -13.902 1.00 0.00 C ATOM 829 CG LYS A 71 11.948 -7.044 -13.558 1.00 0.00 C ATOM 830 CD LYS A 71 13.238 -7.895 -13.635 1.00 0.00 C ATOM 831 CE LYS A 71 13.841 -7.950 -15.053 1.00 0.00 C ATOM 832 NZ LYS A 71 15.063 -8.792 -15.104 1.00 0.00 N ATOM 0 H LYS A 71 10.546 -5.435 -11.979 1.00 0.00 H new ATOM 0 HA LYS A 71 11.211 -3.657 -14.157 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.662 -5.504 -14.882 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.895 -5.148 -13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.530 -7.116 -12.554 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.206 -7.455 -14.242 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.978 -7.486 -12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.018 -8.909 -13.300 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.099 -8.344 -15.748 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.082 -6.940 -15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.437 -8.803 -16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.781 -8.402 -14.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.828 -9.762 -14.813 1.00 0.00 H new ATOM 846 N THR A 72 8.825 -5.791 -14.572 1.00 0.00 N ATOM 847 CA THR A 72 7.753 -6.271 -15.465 1.00 0.00 C ATOM 848 C THR A 72 6.399 -5.619 -15.085 1.00 0.00 C ATOM 849 O THR A 72 5.370 -5.895 -15.712 1.00 0.00 O ATOM 850 CB THR A 72 7.676 -7.845 -15.420 1.00 0.00 C ATOM 851 OG1 THR A 72 6.672 -8.344 -16.324 1.00 0.00 O ATOM 852 CG2 THR A 72 7.410 -8.379 -14.001 1.00 0.00 C ATOM 0 H THR A 72 8.649 -5.991 -13.587 1.00 0.00 H new ATOM 0 HA THR A 72 7.981 -5.977 -16.489 1.00 0.00 H new ATOM 0 HB THR A 72 8.654 -8.208 -15.736 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.928 -7.708 -16.370 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.366 -9.468 -14.024 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.214 -8.062 -13.336 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.461 -7.985 -13.636 1.00 0.00 H new ATOM 860 N ALA A 73 6.417 -4.721 -14.080 1.00 0.00 N ATOM 861 CA ALA A 73 5.237 -3.943 -13.676 1.00 0.00 C ATOM 862 C ALA A 73 5.208 -2.613 -14.427 1.00 0.00 C ATOM 863 O ALA A 73 6.164 -1.843 -14.362 1.00 0.00 O ATOM 864 CB ALA A 73 5.222 -3.704 -12.155 1.00 0.00 C ATOM 0 H ALA A 73 7.251 -4.517 -13.528 1.00 0.00 H new ATOM 0 HA ALA A 73 4.345 -4.515 -13.931 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.338 -3.126 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.201 -4.662 -11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.117 -3.154 -11.864 1.00 0.00 H new ATOM 870 N ASN A 74 4.133 -2.375 -15.177 1.00 0.00 N ATOM 871 CA ASN A 74 3.840 -1.058 -15.767 1.00 0.00 C ATOM 872 C ASN A 74 2.919 -0.286 -14.805 1.00 0.00 C ATOM 873 O ASN A 74 2.070 -0.893 -14.132 1.00 0.00 O ATOM 874 CB ASN A 74 3.214 -1.191 -17.187 1.00 0.00 C ATOM 875 CG ASN A 74 1.990 -2.109 -17.260 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.912 -3.120 -16.583 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.015 -1.753 -18.071 1.00 0.00 N ATOM 0 H ASN A 74 3.436 -3.087 -15.396 1.00 0.00 H new ATOM 0 HA ASN A 74 4.769 -0.503 -15.899 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.930 -0.199 -17.539 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.975 -1.566 -17.872 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.175 -2.327 -18.141 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.100 -0.903 -18.629 1.00 0.00 H new ATOM 884 N LYS A 75 3.096 1.046 -14.755 1.00 0.00 N ATOM 885 CA LYS A 75 2.466 1.922 -13.747 1.00 0.00 C ATOM 886 C LYS A 75 0.930 1.850 -13.795 1.00 0.00 C ATOM 887 O LYS A 75 0.275 1.777 -12.748 1.00 0.00 O ATOM 888 CB LYS A 75 2.934 3.392 -13.938 1.00 0.00 C ATOM 889 CG LYS A 75 2.386 4.368 -12.874 1.00 0.00 C ATOM 890 CD LYS A 75 2.923 4.067 -11.450 1.00 0.00 C ATOM 891 CE LYS A 75 4.382 4.521 -11.241 1.00 0.00 C ATOM 892 NZ LYS A 75 4.550 5.979 -11.473 1.00 0.00 N ATOM 0 H LYS A 75 3.685 1.550 -15.418 1.00 0.00 H new ATOM 0 HA LYS A 75 2.783 1.564 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.023 3.422 -13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.625 3.736 -14.925 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.654 5.388 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.297 4.316 -12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.287 4.563 -10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.852 2.996 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.696 4.277 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.034 3.969 -11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.322 6.339 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.778 6.147 -12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.667 6.473 -11.232 1.00 0.00 H new ATOM 906 N ASP A 76 0.378 1.843 -15.015 1.00 0.00 N ATOM 907 CA ASP A 76 -1.081 1.840 -15.244 1.00 0.00 C ATOM 908 C ASP A 76 -1.742 0.549 -14.717 1.00 0.00 C ATOM 909 O ASP A 76 -2.881 0.591 -14.244 1.00 0.00 O ATOM 910 CB ASP A 76 -1.386 2.046 -16.743 1.00 0.00 C ATOM 911 CG ASP A 76 -0.737 0.985 -17.650 1.00 0.00 C ATOM 912 OD1 ASP A 76 0.463 1.123 -17.971 1.00 0.00 O ATOM 913 OD2 ASP A 76 -1.413 -0.002 -18.025 1.00 0.00 O ATOM 0 H ASP A 76 0.927 1.839 -15.875 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.509 2.670 -14.682 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.466 2.030 -16.892 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.037 3.034 -17.045 1.00 0.00 H new ATOM 918 N HIS A 77 -1.010 -0.584 -14.772 1.00 0.00 N ATOM 919 CA HIS A 77 -1.455 -1.877 -14.189 1.00 0.00 C ATOM 920 C HIS A 77 -1.481 -1.794 -12.655 1.00 0.00 C ATOM 921 O HIS A 77 -2.326 -2.417 -12.015 1.00 0.00 O ATOM 922 CB HIS A 77 -0.514 -3.023 -14.654 1.00 0.00 C ATOM 923 CG HIS A 77 -0.788 -4.385 -14.052 1.00 0.00 C ATOM 924 ND1 HIS A 77 -1.580 -5.331 -14.660 1.00 0.00 N ATOM 925 CD2 HIS A 77 -0.321 -4.970 -12.917 1.00 0.00 C ATOM 926 CE1 HIS A 77 -1.609 -6.421 -13.921 1.00 0.00 C ATOM 927 NE2 HIS A 77 -0.847 -6.237 -12.861 1.00 0.00 N ATOM 0 H HIS A 77 -0.095 -0.633 -15.220 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.465 -2.089 -14.538 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.582 -3.106 -15.739 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.513 -2.743 -14.419 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.342 -4.521 -12.193 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.166 -7.318 -14.147 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.677 -6.921 -12.123 1.00 0.00 H new ATOM 936 N LEU A 78 -0.526 -1.039 -12.083 1.00 0.00 N ATOM 937 CA LEU A 78 -0.404 -0.872 -10.619 1.00 0.00 C ATOM 938 C LEU A 78 -1.552 -0.028 -10.053 1.00 0.00 C ATOM 939 O LEU A 78 -2.012 -0.278 -8.944 1.00 0.00 O ATOM 940 CB LEU A 78 0.955 -0.229 -10.243 1.00 0.00 C ATOM 941 CG LEU A 78 2.220 -1.022 -10.679 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.500 -0.291 -10.241 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.191 -2.471 -10.140 1.00 0.00 C ATOM 0 H LEU A 78 0.179 -0.530 -12.616 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.457 -1.867 -10.177 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.001 0.765 -10.687 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.987 -0.097 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 78 2.220 -1.079 -11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.372 -0.864 -10.556 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.530 0.697 -10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.507 -0.188 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.089 -2.997 -10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.152 -2.453 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.311 -2.985 -10.526 1.00 0.00 H new ATOM 955 N VAL A 79 -1.988 0.966 -10.841 1.00 0.00 N ATOM 956 CA VAL A 79 -3.125 1.836 -10.498 1.00 0.00 C ATOM 957 C VAL A 79 -4.449 1.047 -10.612 1.00 0.00 C ATOM 958 O VAL A 79 -5.368 1.228 -9.796 1.00 0.00 O ATOM 959 CB VAL A 79 -3.164 3.108 -11.423 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.325 4.052 -11.031 1.00 0.00 C ATOM 961 CG2 VAL A 79 -1.810 3.861 -11.389 1.00 0.00 C ATOM 0 H VAL A 79 -1.560 1.191 -11.739 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.999 2.173 -9.469 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.339 2.768 -12.444 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.325 4.921 -11.689 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.273 3.523 -11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.196 4.378 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.864 4.736 -12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.595 4.178 -10.368 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.017 3.200 -11.738 1.00 0.00 H new ATOM 971 N THR A 80 -4.520 0.172 -11.635 1.00 0.00 N ATOM 972 CA THR A 80 -5.639 -0.768 -11.817 1.00 0.00 C ATOM 973 C THR A 80 -5.731 -1.730 -10.612 1.00 0.00 C ATOM 974 O THR A 80 -6.799 -1.896 -10.026 1.00 0.00 O ATOM 975 CB THR A 80 -5.477 -1.588 -13.141 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.363 -0.689 -14.254 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.653 -2.553 -13.389 1.00 0.00 C ATOM 0 H THR A 80 -3.803 0.099 -12.357 1.00 0.00 H new ATOM 0 HA THR A 80 -6.559 -0.187 -11.883 1.00 0.00 H new ATOM 0 HB THR A 80 -4.574 -2.189 -13.037 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.475 -0.273 -14.249 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.488 -3.095 -14.320 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.723 -3.262 -12.564 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.581 -1.985 -13.459 1.00 0.00 H new ATOM 985 N ALA A 81 -4.585 -2.298 -10.211 1.00 0.00 N ATOM 986 CA ALA A 81 -4.494 -3.246 -9.084 1.00 0.00 C ATOM 987 C ALA A 81 -4.888 -2.570 -7.766 1.00 0.00 C ATOM 988 O ALA A 81 -5.604 -3.146 -6.943 1.00 0.00 O ATOM 989 CB ALA A 81 -3.069 -3.816 -8.998 1.00 0.00 C ATOM 0 H ALA A 81 -3.688 -2.114 -10.660 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.192 -4.064 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.007 -4.515 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.828 -4.335 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.360 -3.002 -8.843 1.00 0.00 H new ATOM 995 N TYR A 82 -4.411 -1.329 -7.612 1.00 0.00 N ATOM 996 CA TYR A 82 -4.716 -0.445 -6.480 1.00 0.00 C ATOM 997 C TYR A 82 -6.239 -0.252 -6.320 1.00 0.00 C ATOM 998 O TYR A 82 -6.790 -0.549 -5.271 1.00 0.00 O ATOM 999 CB TYR A 82 -3.962 0.903 -6.708 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.505 2.141 -5.977 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -4.103 2.459 -4.679 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -5.396 3.012 -6.617 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -4.584 3.592 -4.049 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -5.871 4.137 -5.992 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.470 4.426 -4.716 1.00 0.00 C ATOM 1006 OH TYR A 82 -5.967 5.549 -4.101 1.00 0.00 O ATOM 0 H TYR A 82 -3.784 -0.899 -8.292 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.376 -0.889 -5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.923 0.764 -6.411 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.962 1.114 -7.777 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.409 1.813 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.716 2.793 -7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.271 3.827 -3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.559 4.792 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.224 6.110 -3.794 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.906 0.200 -7.391 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.357 0.521 -7.373 1.00 0.00 C ATOM 1018 C ASN A 83 -9.216 -0.737 -7.131 1.00 0.00 C ATOM 1019 O ASN A 83 -10.186 -0.700 -6.360 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.754 1.227 -8.702 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.365 2.715 -8.742 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.514 3.431 -7.752 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.835 3.183 -9.863 1.00 0.00 N ATOM 0 H ASN A 83 -6.464 0.356 -8.297 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.550 1.199 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.277 0.712 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.831 1.136 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.540 4.158 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.722 2.569 -10.669 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.827 -1.848 -7.776 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.499 -3.158 -7.640 1.00 0.00 C ATOM 1032 C HIS A 84 -9.287 -3.763 -6.230 1.00 0.00 C ATOM 1033 O HIS A 84 -10.118 -4.557 -5.778 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.007 -4.135 -8.743 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.598 -3.885 -10.118 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.439 -4.779 -10.747 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.447 -2.858 -10.994 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -10.772 -4.319 -11.934 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.187 -3.157 -12.111 1.00 0.00 N ATOM 0 H HIS A 84 -8.031 -1.867 -8.413 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.570 -3.001 -7.768 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.921 -4.068 -8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.245 -5.154 -8.439 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.853 -1.969 -10.840 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.418 -4.814 -12.644 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.269 -2.572 -12.943 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.182 -3.380 -5.543 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.862 -3.859 -4.172 1.00 0.00 C ATOM 1050 C LEU A 85 -8.997 -3.530 -3.194 1.00 0.00 C ATOM 1051 O LEU A 85 -9.539 -4.404 -2.505 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.554 -3.179 -3.664 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.069 -3.564 -2.233 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.850 -5.081 -2.089 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.798 -2.776 -1.839 1.00 0.00 C ATOM 0 H LEU A 85 -7.489 -2.733 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.733 -4.940 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.755 -3.413 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.699 -2.099 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.863 -3.286 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.513 -5.305 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.786 -5.604 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.096 -5.409 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.486 -3.067 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.999 -2.997 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.012 -1.707 -1.856 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.340 -2.238 -3.181 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.357 -1.674 -2.285 1.00 0.00 C ATOM 1069 C PHE A 86 -11.770 -2.089 -2.729 1.00 0.00 C ATOM 1070 O PHE A 86 -12.658 -2.289 -1.894 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.214 -0.135 -2.242 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.780 0.344 -1.970 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.184 0.231 -0.713 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.027 0.908 -2.982 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.885 0.671 -0.492 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.746 1.340 -2.757 1.00 0.00 C ATOM 1077 CZ PHE A 86 -6.172 1.226 -1.518 1.00 0.00 C ATOM 0 H PHE A 86 -8.915 -1.546 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.203 -2.068 -1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.552 0.279 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.873 0.261 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.742 -0.206 0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.456 1.010 -3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.440 0.575 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.181 1.776 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.162 1.572 -1.353 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.937 -2.275 -4.052 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.227 -2.595 -4.685 1.00 0.00 C ATOM 1089 C GLU A 87 -13.739 -3.995 -4.269 1.00 0.00 C ATOM 1090 O GLU A 87 -14.951 -4.218 -4.185 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.078 -2.506 -6.228 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.376 -2.762 -7.022 1.00 0.00 C ATOM 1093 CD GLU A 87 -14.188 -2.684 -8.542 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -13.562 -3.601 -9.117 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -14.646 -1.704 -9.169 1.00 0.00 O ATOM 0 H GLU A 87 -11.168 -2.206 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.966 -1.869 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.701 -1.516 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.326 -3.227 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.764 -3.747 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.128 -2.033 -6.719 1.00 0.00 H new ATOM 1102 N THR A 88 -12.818 -4.927 -3.984 1.00 0.00 N ATOM 1103 CA THR A 88 -13.156 -6.303 -3.555 1.00 0.00 C ATOM 1104 C THR A 88 -12.648 -6.594 -2.133 1.00 0.00 C ATOM 1105 O THR A 88 -12.819 -7.718 -1.641 1.00 0.00 O ATOM 1106 CB THR A 88 -12.574 -7.352 -4.560 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.222 -7.002 -4.887 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.409 -7.458 -5.850 1.00 0.00 C ATOM 0 H THR A 88 -11.815 -4.753 -4.043 1.00 0.00 H new ATOM 0 HA THR A 88 -14.243 -6.385 -3.547 1.00 0.00 H new ATOM 0 HB THR A 88 -12.607 -8.326 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.205 -6.114 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.962 -8.199 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.426 -7.760 -5.601 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.430 -6.490 -6.350 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.037 -5.573 -1.479 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.537 -5.664 -0.084 1.00 0.00 C ATOM 1118 C LYS A 89 -10.499 -6.800 0.082 1.00 0.00 C ATOM 1119 O LYS A 89 -10.351 -7.361 1.169 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.732 -5.840 0.904 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.783 -4.704 0.846 1.00 0.00 C ATOM 1122 CD LYS A 89 -15.032 -4.993 1.721 1.00 0.00 C ATOM 1123 CE LYS A 89 -14.695 -5.194 3.212 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.094 -3.983 3.823 1.00 0.00 N ATOM 0 H LYS A 89 -11.877 -4.661 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.024 -4.732 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.227 -6.788 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.341 -5.905 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.323 -3.772 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.096 -4.557 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.736 -4.167 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.533 -5.885 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.602 -5.459 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.005 -6.031 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.916 -4.156 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.196 -3.763 3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.748 -3.181 3.719 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.739 -7.072 -1.005 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.751 -8.184 -1.077 1.00 0.00 C ATOM 1140 C ARG A 90 -7.598 -8.036 -0.062 1.00 0.00 C ATOM 1141 O ARG A 90 -6.816 -8.967 0.128 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.178 -8.285 -2.520 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.042 -9.074 -3.529 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.417 -9.078 -4.942 1.00 0.00 C ATOM 1145 NE ARG A 90 -8.976 -10.127 -5.814 1.00 0.00 N ATOM 1146 CZ ARG A 90 -9.892 -9.952 -6.776 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -10.451 -8.761 -6.970 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.245 -10.973 -7.537 1.00 0.00 N ATOM 0 H ARG A 90 -9.792 -6.525 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.283 -9.099 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.033 -7.276 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.194 -8.752 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.160 -10.100 -3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.039 -8.636 -3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.575 -8.105 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.340 -9.220 -4.857 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.633 -11.077 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.183 -7.970 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.147 -8.638 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.821 -11.889 -7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.942 -10.845 -8.271 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.484 -6.856 0.547 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.512 -6.586 1.612 1.00 0.00 C ATOM 1164 C PHE A 91 -6.955 -7.180 2.964 1.00 0.00 C ATOM 1165 O PHE A 91 -8.136 -7.477 3.177 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.279 -5.059 1.746 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.552 -4.210 1.925 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.324 -4.271 3.088 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.968 -3.343 0.925 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.450 -3.499 3.234 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.099 -2.576 1.075 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.839 -2.653 2.226 1.00 0.00 C ATOM 0 H PHE A 91 -8.068 -6.052 0.315 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.577 -7.072 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.622 -4.882 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.751 -4.710 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.030 -4.937 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.394 -3.269 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.030 -3.558 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.406 -1.910 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.727 -2.049 2.340 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.987 -7.316 3.868 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.213 -7.637 5.277 1.00 0.00 C ATOM 1184 C LYS A 92 -5.661 -6.462 6.136 1.00 0.00 C ATOM 1185 O LYS A 92 -4.463 -6.144 6.022 1.00 0.00 O ATOM 1186 CB LYS A 92 -5.573 -9.012 5.636 1.00 0.00 C ATOM 1187 CG LYS A 92 -4.087 -9.191 5.238 1.00 0.00 C ATOM 1188 CD LYS A 92 -3.502 -10.536 5.726 1.00 0.00 C ATOM 1189 CE LYS A 92 -3.573 -10.697 7.259 1.00 0.00 C ATOM 1190 NZ LYS A 92 -2.986 -11.980 7.712 1.00 0.00 N ATOM 1191 OXT LYS A 92 -6.437 -5.832 6.890 1.00 0.00 O ATOM 0 H LYS A 92 -5.000 -7.204 3.636 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.277 -7.744 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.661 -9.162 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.155 -9.798 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.995 -9.130 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.501 -8.371 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.044 -11.355 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.463 -10.613 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.046 -9.870 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.613 -10.641 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.055 -12.047 8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.504 -12.771 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.987 -12.024 7.428 1.00 0.00 H new TER 1205 LYS A 92