USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 849 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 22 TYR OH : rot 180:sc= -0.234 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.229 K(o=-0.46,f=0.55) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 96 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0.122 USER MOD Set 3.2: A 53 ASN : amide:sc= -0.356! K(o=-0.23!,f=-1.2) USER MOD Single : A 1 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 1 GLN N :NH3+ -115:sc= 0.134 (180deg=-0.0342) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 1.31 (180deg=1.15) USER MOD Single : A 19 ASN : amide:sc= -1.99 K(o=-2,f=-3.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 79:sc= 1.3 USER MOD Single : A 31 ASN : amide:sc= -4.84! C(o=-4.8!,f=-7.2!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00849 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc=-0.00228 (180deg=-0.121) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= 0.397 (180deg=-0.259) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 68 LYS NZ :NH3+ 172:sc=-0.00666 (180deg=-0.0897) USER MOD Single : A 71 SER OG : rot -88:sc= 0.295 USER MOD Single : A 74 THR OG1 : rot -78:sc= -0.0333! USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -14:sc= 0.207 USER MOD Single : A 81 MET CE :methyl 171:sc= -0.731 (180deg=-0.956) USER MOD Single : A 84 MET CE :methyl -152:sc= -4.27! (180deg=-7.56!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 1.2 (180deg=0.929) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 0.108 (180deg=0.0181) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -118:sc= 0.047 (180deg=-0.166) USER MOD Single : A 102 TYR OH : rot -40:sc= 0.251 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -8.686 4.908 11.618 1.00 0.00 N ATOM 2 CA GLN A 1 -7.205 4.904 11.599 1.00 0.00 C ATOM 3 C GLN A 1 -6.662 4.409 12.932 1.00 0.00 C ATOM 4 O GLN A 1 -7.434 3.981 13.793 1.00 0.00 O ATOM 5 CB GLN A 1 -6.671 6.312 11.318 1.00 0.00 C ATOM 6 CG GLN A 1 -6.922 7.298 12.447 1.00 0.00 C ATOM 7 CD GLN A 1 -6.398 8.688 12.147 1.00 0.00 C ATOM 8 OE1 GLN A 1 -6.946 9.681 12.628 1.00 0.00 O ATOM 9 NE2 GLN A 1 -5.344 8.779 11.351 1.00 0.00 N ATOM 0 H1 GLN A 1 -9.044 4.218 10.927 1.00 0.00 H new ATOM 0 H2 GLN A 1 -9.022 4.652 12.568 1.00 0.00 H new ATOM 0 H3 GLN A 1 -9.034 5.857 11.372 1.00 0.00 H new ATOM 0 HA GLN A 1 -6.874 4.233 10.806 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -5.599 6.253 11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -7.134 6.691 10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -7.993 7.354 12.642 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -6.451 6.927 13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.917 7.934 10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -4.959 9.694 11.117 1.00 0.00 H new ATOM 20 N GLU A 2 -5.332 4.471 13.086 1.00 0.00 N ATOM 21 CA GLU A 2 -4.661 4.133 14.342 1.00 0.00 C ATOM 22 C GLU A 2 -4.658 2.618 14.584 1.00 0.00 C ATOM 23 O GLU A 2 -5.582 1.903 14.191 1.00 0.00 O ATOM 24 CB GLU A 2 -5.315 4.900 15.506 1.00 0.00 C ATOM 25 CG GLU A 2 -4.710 4.635 16.878 1.00 0.00 C ATOM 26 CD GLU A 2 -3.238 4.963 16.960 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.423 4.166 16.466 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.889 6.012 17.537 1.00 0.00 O ATOM 0 H GLU A 2 -4.695 4.757 12.343 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.617 4.439 14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.250 5.968 15.298 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.374 4.645 15.538 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.247 5.222 17.623 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.855 3.585 17.134 1.00 0.00 H new ATOM 35 N ALA A 3 -3.596 2.140 15.217 1.00 0.00 N ATOM 36 CA ALA A 3 -3.416 0.721 15.482 1.00 0.00 C ATOM 37 C ALA A 3 -2.492 0.530 16.678 1.00 0.00 C ATOM 38 O ALA A 3 -1.552 -0.264 16.636 1.00 0.00 O ATOM 39 CB ALA A 3 -2.858 0.015 14.253 1.00 0.00 C ATOM 0 H ALA A 3 -2.835 2.726 15.561 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.385 0.280 15.715 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.730 -1.046 14.470 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.550 0.134 13.419 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.894 0.451 13.989 1.00 0.00 H new ATOM 45 N GLY A 4 -2.768 1.274 17.742 1.00 0.00 N ATOM 46 CA GLY A 4 -1.930 1.221 18.923 1.00 0.00 C ATOM 47 C GLY A 4 -0.600 1.903 18.693 1.00 0.00 C ATOM 48 O GLY A 4 0.455 1.286 18.831 1.00 0.00 O ATOM 0 H GLY A 4 -3.559 1.914 17.807 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.445 1.698 19.757 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.763 0.181 19.205 1.00 0.00 H new ATOM 52 N GLY A 5 -0.656 3.180 18.341 1.00 0.00 N ATOM 53 CA GLY A 5 0.535 3.894 17.950 1.00 0.00 C ATOM 54 C GLY A 5 0.975 3.453 16.578 1.00 0.00 C ATOM 55 O GLY A 5 2.110 3.017 16.402 1.00 0.00 O ATOM 0 H GLY A 5 -1.512 3.734 18.320 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.342 4.967 17.951 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.331 3.712 18.672 1.00 0.00 H new ATOM 59 N ARG A 6 0.049 3.561 15.622 1.00 0.00 N ATOM 60 CA ARG A 6 0.217 3.006 14.279 1.00 0.00 C ATOM 61 C ARG A 6 1.615 3.253 13.709 1.00 0.00 C ATOM 62 O ARG A 6 1.969 4.362 13.307 1.00 0.00 O ATOM 63 CB ARG A 6 -0.869 3.519 13.310 1.00 0.00 C ATOM 64 CG ARG A 6 -0.882 5.023 13.037 1.00 0.00 C ATOM 65 CD ARG A 6 -1.559 5.815 14.148 1.00 0.00 C ATOM 66 NE ARG A 6 -2.015 7.122 13.681 1.00 0.00 N ATOM 67 CZ ARG A 6 -2.289 8.157 14.476 1.00 0.00 C ATOM 68 NH1 ARG A 6 -2.266 8.013 15.794 1.00 0.00 N ATOM 69 NH2 ARG A 6 -2.624 9.330 13.947 1.00 0.00 N ATOM 0 H ARG A 6 -0.842 4.038 15.760 1.00 0.00 H new ATOM 0 HA ARG A 6 0.099 1.927 14.381 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.750 3.000 12.359 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.843 3.236 13.708 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.142 5.375 12.917 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.397 5.213 12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.408 5.250 14.532 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.863 5.947 14.976 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.132 7.252 12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.038 7.107 16.204 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.476 8.808 16.398 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.671 9.438 12.934 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.834 10.122 14.554 1.00 0.00 H new ATOM 83 N PRO A 7 2.429 2.191 13.673 1.00 0.00 N ATOM 84 CA PRO A 7 3.776 2.244 13.157 1.00 0.00 C ATOM 85 C PRO A 7 3.779 1.945 11.673 1.00 0.00 C ATOM 86 O PRO A 7 4.327 0.938 11.226 1.00 0.00 O ATOM 87 CB PRO A 7 4.490 1.144 13.947 1.00 0.00 C ATOM 88 CG PRO A 7 3.423 0.167 14.340 1.00 0.00 C ATOM 89 CD PRO A 7 2.084 0.834 14.117 1.00 0.00 C ATOM 0 HA PRO A 7 4.252 3.219 13.266 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.257 0.662 13.341 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.988 1.554 14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.500 -0.743 13.746 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.536 -0.124 15.384 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.496 0.306 13.366 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.491 0.852 15.031 1.00 0.00 H new ATOM 97 N GLY A 8 3.129 2.813 10.917 1.00 0.00 N ATOM 98 CA GLY A 8 3.002 2.597 9.498 1.00 0.00 C ATOM 99 C GLY A 8 4.294 2.855 8.767 1.00 0.00 C ATOM 100 O GLY A 8 4.544 2.268 7.716 1.00 0.00 O ATOM 0 H GLY A 8 2.687 3.664 11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.681 1.571 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.225 3.250 9.101 1.00 0.00 H new ATOM 104 N ALA A 9 5.111 3.736 9.341 1.00 0.00 N ATOM 105 CA ALA A 9 6.387 4.120 8.754 1.00 0.00 C ATOM 106 C ALA A 9 7.072 5.181 9.606 1.00 0.00 C ATOM 107 O ALA A 9 7.251 5.009 10.811 1.00 0.00 O ATOM 108 CB ALA A 9 6.189 4.639 7.338 1.00 0.00 C ATOM 0 H ALA A 9 4.905 4.201 10.225 1.00 0.00 H new ATOM 0 HA ALA A 9 7.023 3.236 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.153 4.921 6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.738 3.859 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.533 5.509 7.358 1.00 0.00 H new ATOM 114 N ASP A 10 7.413 6.289 8.970 1.00 0.00 N ATOM 115 CA ASP A 10 8.092 7.395 9.621 1.00 0.00 C ATOM 116 C ASP A 10 7.323 8.667 9.326 1.00 0.00 C ATOM 117 O ASP A 10 6.762 9.295 10.222 1.00 0.00 O ATOM 118 CB ASP A 10 9.533 7.503 9.108 1.00 0.00 C ATOM 119 CG ASP A 10 10.281 8.688 9.686 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.776 8.586 10.827 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.410 9.713 8.986 1.00 0.00 O ATOM 0 H ASP A 10 7.225 6.447 7.980 1.00 0.00 H new ATOM 0 HA ASP A 10 8.131 7.232 10.698 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.070 6.587 9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.521 7.583 8.021 1.00 0.00 H new ATOM 126 N CYS A 11 7.276 9.017 8.049 1.00 0.00 N ATOM 127 CA CYS A 11 6.441 10.107 7.584 1.00 0.00 C ATOM 128 C CYS A 11 4.969 9.692 7.680 1.00 0.00 C ATOM 129 O CYS A 11 4.574 8.663 7.132 1.00 0.00 O ATOM 130 CB CYS A 11 6.811 10.468 6.146 1.00 0.00 C ATOM 131 SG CYS A 11 8.604 10.654 5.851 1.00 0.00 S ATOM 0 H CYS A 11 7.812 8.556 7.314 1.00 0.00 H new ATOM 0 HA CYS A 11 6.600 10.987 8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.424 9.697 5.480 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.313 11.400 5.879 1.00 0.00 H new ATOM 136 N GLU A 12 4.183 10.500 8.386 1.00 0.00 N ATOM 137 CA GLU A 12 2.802 10.161 8.769 1.00 0.00 C ATOM 138 C GLU A 12 1.943 9.583 7.650 1.00 0.00 C ATOM 139 O GLU A 12 1.287 8.570 7.849 1.00 0.00 O ATOM 140 CB GLU A 12 2.090 11.396 9.322 1.00 0.00 C ATOM 141 CG GLU A 12 2.371 11.676 10.789 1.00 0.00 C ATOM 142 CD GLU A 12 3.845 11.762 11.116 1.00 0.00 C ATOM 143 OE1 GLU A 12 4.501 12.724 10.673 1.00 0.00 O ATOM 144 OE2 GLU A 12 4.354 10.868 11.820 1.00 0.00 O ATOM 0 H GLU A 12 4.483 11.418 8.715 1.00 0.00 H new ATOM 0 HA GLU A 12 2.911 9.379 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.387 12.265 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.015 11.272 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.889 12.612 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.918 10.890 11.394 1.00 0.00 H new ATOM 151 N VAL A 13 1.920 10.218 6.493 1.00 0.00 N ATOM 152 CA VAL A 13 0.924 9.869 5.487 1.00 0.00 C ATOM 153 C VAL A 13 1.177 8.492 4.867 1.00 0.00 C ATOM 154 O VAL A 13 0.252 7.682 4.765 1.00 0.00 O ATOM 155 CB VAL A 13 0.813 10.951 4.400 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.251 10.597 3.372 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.503 12.290 5.045 1.00 0.00 C ATOM 0 H VAL A 13 2.563 10.963 6.226 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.033 9.815 6.007 1.00 0.00 H new ATOM 0 HB VAL A 13 1.767 11.013 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.304 11.382 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.005 9.652 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.218 10.503 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.425 13.056 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.440 12.223 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.302 12.554 5.738 1.00 0.00 H new ATOM 167 N CYS A 14 2.419 8.202 4.473 1.00 0.00 N ATOM 168 CA CYS A 14 2.739 6.864 3.971 1.00 0.00 C ATOM 169 C CYS A 14 2.600 5.861 5.108 1.00 0.00 C ATOM 170 O CYS A 14 2.254 4.697 4.901 1.00 0.00 O ATOM 171 CB CYS A 14 4.154 6.796 3.375 1.00 0.00 C ATOM 172 SG CYS A 14 5.503 6.708 4.606 1.00 0.00 S ATOM 0 H CYS A 14 3.201 8.856 4.490 1.00 0.00 H new ATOM 0 HA CYS A 14 2.041 6.623 3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.217 5.923 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.311 7.673 2.747 1.00 0.00 H new ATOM 177 N LYS A 15 2.856 6.350 6.319 1.00 0.00 N ATOM 178 CA LYS A 15 2.699 5.568 7.531 1.00 0.00 C ATOM 179 C LYS A 15 1.247 5.126 7.701 1.00 0.00 C ATOM 180 O LYS A 15 0.963 3.935 7.840 1.00 0.00 O ATOM 181 CB LYS A 15 3.166 6.413 8.731 1.00 0.00 C ATOM 182 CG LYS A 15 2.498 6.076 10.056 1.00 0.00 C ATOM 183 CD LYS A 15 2.787 7.130 11.116 1.00 0.00 C ATOM 184 CE LYS A 15 4.274 7.265 11.400 1.00 0.00 C ATOM 185 NZ LYS A 15 4.545 8.293 12.437 1.00 0.00 N ATOM 0 H LYS A 15 3.179 7.304 6.482 1.00 0.00 H new ATOM 0 HA LYS A 15 3.308 4.666 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.243 6.292 8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.985 7.464 8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.421 5.993 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.849 5.104 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.393 8.091 10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.265 6.870 12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.670 6.304 11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.797 7.529 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.480 8.123 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.528 9.238 12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.817 8.240 13.177 1.00 0.00 H new ATOM 199 N GLU A 16 0.344 6.096 7.679 1.00 0.00 N ATOM 200 CA GLU A 16 -1.083 5.835 7.782 1.00 0.00 C ATOM 201 C GLU A 16 -1.524 4.800 6.762 1.00 0.00 C ATOM 202 O GLU A 16 -2.142 3.798 7.116 1.00 0.00 O ATOM 203 CB GLU A 16 -1.876 7.125 7.576 1.00 0.00 C ATOM 204 CG GLU A 16 -1.931 8.022 8.800 1.00 0.00 C ATOM 205 CD GLU A 16 -2.685 7.391 9.954 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.840 6.951 9.751 1.00 0.00 O ATOM 207 OE2 GLU A 16 -2.129 7.339 11.067 1.00 0.00 O ATOM 0 H GLU A 16 0.580 7.084 7.589 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.279 5.445 8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.434 7.682 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.894 6.870 7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.916 8.256 9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.407 8.966 8.533 1.00 0.00 H new ATOM 214 N PHE A 17 -1.182 5.032 5.500 1.00 0.00 N ATOM 215 CA PHE A 17 -1.620 4.147 4.437 1.00 0.00 C ATOM 216 C PHE A 17 -1.145 2.716 4.661 1.00 0.00 C ATOM 217 O PHE A 17 -1.962 1.799 4.706 1.00 0.00 O ATOM 218 CB PHE A 17 -1.146 4.631 3.067 1.00 0.00 C ATOM 219 CG PHE A 17 -1.538 3.686 1.967 1.00 0.00 C ATOM 220 CD1 PHE A 17 -2.831 3.684 1.469 1.00 0.00 C ATOM 221 CD2 PHE A 17 -0.625 2.778 1.458 1.00 0.00 C ATOM 222 CE1 PHE A 17 -3.201 2.799 0.479 1.00 0.00 C ATOM 223 CE2 PHE A 17 -0.991 1.887 0.472 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.281 1.897 -0.019 1.00 0.00 C ATOM 0 H PHE A 17 -0.609 5.818 5.194 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.710 4.161 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.567 5.616 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.062 4.744 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.556 4.382 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.386 2.768 1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.210 2.811 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.270 1.183 0.084 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.571 1.200 -0.792 1.00 0.00 H new ATOM 234 N LEU A 18 0.164 2.523 4.824 1.00 0.00 N ATOM 235 CA LEU A 18 0.717 1.184 4.891 1.00 0.00 C ATOM 236 C LEU A 18 0.181 0.435 6.094 1.00 0.00 C ATOM 237 O LEU A 18 -0.214 -0.715 5.971 1.00 0.00 O ATOM 238 CB LEU A 18 2.246 1.222 4.928 1.00 0.00 C ATOM 239 CG LEU A 18 2.914 1.779 3.669 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.425 1.769 3.826 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.502 0.978 2.442 1.00 0.00 C ATOM 0 H LEU A 18 0.850 3.273 4.911 1.00 0.00 H new ATOM 0 HA LEU A 18 0.408 0.654 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.558 1.823 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.615 0.211 5.099 1.00 0.00 H new ATOM 0 HG LEU A 18 2.584 2.809 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.887 2.168 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.706 2.385 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.767 0.747 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.988 1.391 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.802 -0.062 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.420 1.031 2.319 1.00 0.00 H new ATOM 253 N ASN A 19 0.134 1.099 7.241 1.00 0.00 N ATOM 254 CA ASN A 19 -0.325 0.456 8.467 1.00 0.00 C ATOM 255 C ASN A 19 -1.797 0.077 8.382 1.00 0.00 C ATOM 256 O ASN A 19 -2.169 -1.058 8.684 1.00 0.00 O ATOM 257 CB ASN A 19 -0.097 1.359 9.680 1.00 0.00 C ATOM 258 CG ASN A 19 -0.720 0.792 10.942 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.845 1.136 11.301 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.000 -0.097 11.611 1.00 0.00 N ATOM 0 H ASN A 19 0.406 2.076 7.349 1.00 0.00 H new ATOM 0 HA ASN A 19 0.261 -0.455 8.587 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.974 1.494 9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.517 2.345 9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.375 -0.524 12.458 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.929 -0.355 11.279 1.00 0.00 H new ATOM 267 N ARG A 20 -2.635 1.016 7.965 1.00 0.00 N ATOM 268 CA ARG A 20 -4.068 0.773 7.937 1.00 0.00 C ATOM 269 C ARG A 20 -4.427 -0.206 6.826 1.00 0.00 C ATOM 270 O ARG A 20 -5.316 -1.031 6.994 1.00 0.00 O ATOM 271 CB ARG A 20 -4.844 2.079 7.786 1.00 0.00 C ATOM 272 CG ARG A 20 -4.468 3.118 8.831 1.00 0.00 C ATOM 273 CD ARG A 20 -5.354 4.347 8.755 1.00 0.00 C ATOM 274 NE ARG A 20 -5.839 4.598 7.403 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.634 5.723 6.731 1.00 0.00 C ATOM 276 NH1 ARG A 20 -4.976 6.733 7.284 1.00 0.00 N ATOM 277 NH2 ARG A 20 -6.103 5.841 5.500 1.00 0.00 N ATOM 0 H ARG A 20 -2.351 1.942 7.645 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.353 0.325 8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.664 2.489 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.912 1.871 7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.545 2.677 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.428 3.412 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.204 4.221 9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.797 5.216 9.106 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.371 3.859 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.621 6.650 8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.825 7.593 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.618 5.070 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.950 6.703 4.976 1.00 0.00 H new ATOM 291 N PHE A 21 -3.726 -0.126 5.701 1.00 0.00 N ATOM 292 CA PHE A 21 -3.908 -1.091 4.619 1.00 0.00 C ATOM 293 C PHE A 21 -3.490 -2.478 5.098 1.00 0.00 C ATOM 294 O PHE A 21 -4.178 -3.475 4.864 1.00 0.00 O ATOM 295 CB PHE A 21 -3.073 -0.680 3.401 1.00 0.00 C ATOM 296 CG PHE A 21 -3.179 -1.625 2.240 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.300 -1.624 1.430 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.154 -2.514 1.961 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.400 -2.492 0.363 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.247 -3.383 0.894 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.373 -3.372 0.093 1.00 0.00 C ATOM 0 H PHE A 21 -3.028 0.594 5.513 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.959 -1.113 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.386 0.313 3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.027 -0.603 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.106 -0.936 1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.273 -2.527 2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.282 -2.483 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.441 -4.071 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.449 -4.051 -0.743 1.00 0.00 H new ATOM 311 N TYR A 22 -2.359 -2.502 5.784 1.00 0.00 N ATOM 312 CA TYR A 22 -1.799 -3.706 6.378 1.00 0.00 C ATOM 313 C TYR A 22 -2.807 -4.394 7.298 1.00 0.00 C ATOM 314 O TYR A 22 -3.146 -5.562 7.095 1.00 0.00 O ATOM 315 CB TYR A 22 -0.533 -3.289 7.133 1.00 0.00 C ATOM 316 CG TYR A 22 0.100 -4.315 8.034 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.853 -5.361 7.520 1.00 0.00 C ATOM 318 CD2 TYR A 22 -0.007 -4.193 9.411 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.478 -6.260 8.360 1.00 0.00 C ATOM 320 CE2 TYR A 22 0.605 -5.090 10.253 1.00 0.00 C ATOM 321 CZ TYR A 22 1.347 -6.120 9.726 1.00 0.00 C ATOM 322 OH TYR A 22 1.977 -6.994 10.572 1.00 0.00 O ATOM 0 H TYR A 22 -1.793 -1.669 5.947 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.554 -4.436 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.211 -2.979 6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.772 -2.412 7.735 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.951 -5.473 6.450 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.581 -3.379 9.829 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.066 -7.068 7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.504 -4.986 11.323 1.00 0.00 H new ATOM 0 HH TYR A 22 1.779 -6.751 11.500 1.00 0.00 H new ATOM 332 N LYS A 23 -3.325 -3.663 8.279 1.00 0.00 N ATOM 333 CA LYS A 23 -4.261 -4.247 9.228 1.00 0.00 C ATOM 334 C LYS A 23 -5.604 -4.534 8.564 1.00 0.00 C ATOM 335 O LYS A 23 -6.317 -5.448 8.973 1.00 0.00 O ATOM 336 CB LYS A 23 -4.419 -3.355 10.471 1.00 0.00 C ATOM 337 CG LYS A 23 -4.827 -1.914 10.191 1.00 0.00 C ATOM 338 CD LYS A 23 -6.325 -1.764 9.972 1.00 0.00 C ATOM 339 CE LYS A 23 -7.115 -2.055 11.240 1.00 0.00 C ATOM 340 NZ LYS A 23 -8.577 -1.881 11.036 1.00 0.00 N ATOM 0 H LYS A 23 -3.115 -2.677 8.436 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.852 -5.200 9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.163 -3.805 11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.475 -3.349 11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.520 -1.284 11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.296 -1.554 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.543 -0.751 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.646 -2.441 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.913 -3.075 11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.779 -1.392 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.078 -2.089 11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.773 -0.901 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.904 -2.531 10.293 1.00 0.00 H new ATOM 354 N SER A 24 -5.936 -3.766 7.530 1.00 0.00 N ATOM 355 CA SER A 24 -7.161 -3.999 6.776 1.00 0.00 C ATOM 356 C SER A 24 -7.124 -5.358 6.095 1.00 0.00 C ATOM 357 O SER A 24 -8.025 -6.157 6.272 1.00 0.00 O ATOM 358 CB SER A 24 -7.398 -2.903 5.735 1.00 0.00 C ATOM 359 OG SER A 24 -7.741 -1.677 6.354 1.00 0.00 O ATOM 0 H SER A 24 -5.376 -2.981 7.197 1.00 0.00 H new ATOM 0 HA SER A 24 -7.987 -3.979 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.500 -2.770 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.196 -3.207 5.057 1.00 0.00 H new ATOM 0 HG SER A 24 -6.929 -1.241 6.688 1.00 0.00 H new ATOM 365 N LEU A 25 -6.068 -5.624 5.338 1.00 0.00 N ATOM 366 CA LEU A 25 -5.945 -6.893 4.624 1.00 0.00 C ATOM 367 C LEU A 25 -5.934 -8.072 5.586 1.00 0.00 C ATOM 368 O LEU A 25 -6.498 -9.124 5.290 1.00 0.00 O ATOM 369 CB LEU A 25 -4.688 -6.895 3.762 1.00 0.00 C ATOM 370 CG LEU A 25 -4.950 -6.632 2.281 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.881 -5.442 2.105 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.641 -6.415 1.545 1.00 0.00 C ATOM 0 H LEU A 25 -5.286 -4.983 5.201 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.816 -7.001 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.000 -6.138 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.190 -7.859 3.867 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.440 -7.506 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.056 -5.271 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.830 -5.646 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.425 -4.555 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.843 -6.229 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.121 -5.557 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.017 -7.303 1.643 1.00 0.00 H new ATOM 384 N ILE A 26 -5.309 -7.887 6.739 1.00 0.00 N ATOM 385 CA ILE A 26 -5.282 -8.923 7.760 1.00 0.00 C ATOM 386 C ILE A 26 -6.681 -9.146 8.343 1.00 0.00 C ATOM 387 O ILE A 26 -7.181 -10.270 8.365 1.00 0.00 O ATOM 388 CB ILE A 26 -4.300 -8.569 8.901 1.00 0.00 C ATOM 389 CG1 ILE A 26 -2.885 -8.360 8.350 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.301 -9.652 9.972 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.340 -9.546 7.582 1.00 0.00 C ATOM 0 H ILE A 26 -4.815 -7.031 6.991 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.940 -9.840 7.280 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.633 -7.637 9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.886 -7.487 7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.213 -8.137 9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.603 -9.381 10.764 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.303 -9.750 10.389 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.998 -10.601 9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.335 -9.318 7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.304 -10.417 8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.988 -9.757 6.731 1.00 0.00 H new ATOM 403 N ASP A 27 -7.312 -8.068 8.787 1.00 0.00 N ATOM 404 CA ASP A 27 -8.621 -8.147 9.436 1.00 0.00 C ATOM 405 C ASP A 27 -9.726 -8.501 8.438 1.00 0.00 C ATOM 406 O ASP A 27 -10.668 -9.215 8.771 1.00 0.00 O ATOM 407 CB ASP A 27 -8.931 -6.823 10.141 1.00 0.00 C ATOM 408 CG ASP A 27 -10.318 -6.779 10.751 1.00 0.00 C ATOM 409 OD1 ASP A 27 -10.634 -7.642 11.600 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.095 -5.871 10.388 1.00 0.00 O ATOM 0 H ASP A 27 -6.939 -7.122 8.711 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.586 -8.947 10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.192 -6.655 10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.830 -6.006 9.426 1.00 0.00 H new ATOM 415 N ARG A 28 -9.599 -8.009 7.211 1.00 0.00 N ATOM 416 CA ARG A 28 -10.569 -8.307 6.158 1.00 0.00 C ATOM 417 C ARG A 28 -10.392 -9.728 5.629 1.00 0.00 C ATOM 418 O ARG A 28 -11.264 -10.263 4.940 1.00 0.00 O ATOM 419 CB ARG A 28 -10.456 -7.309 5.002 1.00 0.00 C ATOM 420 CG ARG A 28 -10.976 -5.914 5.319 1.00 0.00 C ATOM 421 CD ARG A 28 -10.635 -4.929 4.207 1.00 0.00 C ATOM 422 NE ARG A 28 -11.101 -5.390 2.898 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.520 -5.077 1.738 1.00 0.00 C ATOM 424 NH1 ARG A 28 -9.478 -4.254 1.705 1.00 0.00 N ATOM 425 NH2 ARG A 28 -10.985 -5.582 0.607 1.00 0.00 N ATOM 0 H ARG A 28 -8.834 -7.401 6.918 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.561 -8.219 6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.410 -7.234 4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.004 -7.701 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.057 -5.949 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.545 -5.568 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.084 -3.961 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.556 -4.780 4.175 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.925 -5.991 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.115 -3.855 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.040 -4.021 0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.788 -6.211 0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.541 -5.342 -0.279 1.00 0.00 H new ATOM 439 N GLY A 29 -9.254 -10.335 5.961 1.00 0.00 N ATOM 440 CA GLY A 29 -8.945 -11.671 5.482 1.00 0.00 C ATOM 441 C GLY A 29 -8.691 -11.681 3.993 1.00 0.00 C ATOM 442 O GLY A 29 -9.109 -12.595 3.283 1.00 0.00 O ATOM 0 H GLY A 29 -8.537 -9.921 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.067 -12.052 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.771 -12.342 5.716 1.00 0.00 H new ATOM 446 N VAL A 30 -7.996 -10.658 3.527 1.00 0.00 N ATOM 447 CA VAL A 30 -7.787 -10.440 2.115 1.00 0.00 C ATOM 448 C VAL A 30 -6.286 -10.269 1.822 1.00 0.00 C ATOM 449 O VAL A 30 -5.828 -9.263 1.282 1.00 0.00 O ATOM 450 CB VAL A 30 -8.623 -9.212 1.663 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.351 -8.012 2.551 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.367 -8.854 0.222 1.00 0.00 C ATOM 0 H VAL A 30 -7.561 -9.955 4.124 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.124 -11.305 1.543 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.672 -9.493 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.949 -7.166 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.615 -8.254 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.294 -7.753 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.972 -7.990 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.312 -8.615 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.631 -9.698 -0.415 1.00 0.00 H new ATOM 462 N ASN A 31 -5.510 -11.263 2.213 1.00 0.00 N ATOM 463 CA ASN A 31 -4.074 -11.234 1.990 1.00 0.00 C ATOM 464 C ASN A 31 -3.576 -12.646 1.667 1.00 0.00 C ATOM 465 O ASN A 31 -4.378 -13.512 1.319 1.00 0.00 O ATOM 466 CB ASN A 31 -3.384 -10.642 3.228 1.00 0.00 C ATOM 467 CG ASN A 31 -1.931 -10.267 2.988 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.030 -11.049 3.275 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.689 -9.090 2.425 1.00 0.00 N ATOM 0 H ASN A 31 -5.849 -12.101 2.686 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.831 -10.600 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.931 -9.757 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.435 -11.364 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.730 -8.811 2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.462 -8.464 2.199 1.00 0.00 H new ATOM 476 N PHE A 32 -2.264 -12.870 1.763 1.00 0.00 N ATOM 477 CA PHE A 32 -1.651 -14.154 1.419 1.00 0.00 C ATOM 478 C PHE A 32 -1.899 -14.500 -0.048 1.00 0.00 C ATOM 479 O PHE A 32 -2.001 -15.669 -0.426 1.00 0.00 O ATOM 480 CB PHE A 32 -2.164 -15.268 2.339 1.00 0.00 C ATOM 481 CG PHE A 32 -1.845 -15.030 3.789 1.00 0.00 C ATOM 482 CD1 PHE A 32 -0.577 -15.288 4.284 1.00 0.00 C ATOM 483 CD2 PHE A 32 -2.813 -14.545 4.655 1.00 0.00 C ATOM 484 CE1 PHE A 32 -0.280 -15.067 5.615 1.00 0.00 C ATOM 485 CE2 PHE A 32 -2.520 -14.324 5.987 1.00 0.00 C ATOM 486 CZ PHE A 32 -1.252 -14.584 6.468 1.00 0.00 C ATOM 0 H PHE A 32 -1.597 -12.167 2.081 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.575 -14.065 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.244 -15.360 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.728 -16.217 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.188 -15.666 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.806 -14.338 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.713 -15.272 5.988 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.283 -13.948 6.652 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.021 -14.410 7.509 1.00 0.00 H new ATOM 496 N SER A 33 -2.011 -13.460 -0.861 1.00 0.00 N ATOM 497 CA SER A 33 -2.167 -13.595 -2.301 1.00 0.00 C ATOM 498 C SER A 33 -1.612 -12.345 -2.973 1.00 0.00 C ATOM 499 O SER A 33 -2.160 -11.253 -2.820 1.00 0.00 O ATOM 500 CB SER A 33 -3.642 -13.772 -2.669 1.00 0.00 C ATOM 501 OG SER A 33 -4.215 -14.878 -1.992 1.00 0.00 O ATOM 0 H SER A 33 -1.996 -12.493 -0.538 1.00 0.00 H new ATOM 0 HA SER A 33 -1.623 -14.476 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.192 -12.865 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.735 -13.914 -3.746 1.00 0.00 H new ATOM 0 HG SER A 33 -5.158 -14.964 -2.246 1.00 0.00 H new ATOM 507 N LEU A 34 -0.520 -12.515 -3.707 1.00 0.00 N ATOM 508 CA LEU A 34 0.216 -11.391 -4.278 1.00 0.00 C ATOM 509 C LEU A 34 -0.625 -10.587 -5.257 1.00 0.00 C ATOM 510 O LEU A 34 -0.583 -9.359 -5.248 1.00 0.00 O ATOM 511 CB LEU A 34 1.495 -11.877 -4.960 1.00 0.00 C ATOM 512 CG LEU A 34 2.719 -11.976 -4.046 1.00 0.00 C ATOM 513 CD1 LEU A 34 3.012 -10.626 -3.423 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.519 -13.020 -2.959 1.00 0.00 C ATOM 0 H LEU A 34 -0.121 -13.428 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 34 0.477 -10.730 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.306 -12.858 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.729 -11.202 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 34 3.568 -12.286 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.884 -10.706 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.210 -9.898 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.152 -10.302 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.407 -13.064 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.655 -12.751 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.351 -13.995 -3.417 1.00 0.00 H new ATOM 526 N ASP A 35 -1.398 -11.272 -6.085 1.00 0.00 N ATOM 527 CA ASP A 35 -2.245 -10.597 -7.061 1.00 0.00 C ATOM 528 C ASP A 35 -3.392 -9.888 -6.365 1.00 0.00 C ATOM 529 O ASP A 35 -3.911 -8.885 -6.854 1.00 0.00 O ATOM 530 CB ASP A 35 -2.793 -11.582 -8.092 1.00 0.00 C ATOM 531 CG ASP A 35 -1.709 -12.157 -8.976 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.246 -11.444 -9.893 1.00 0.00 O ATOM 533 OD2 ASP A 35 -1.317 -13.325 -8.761 1.00 0.00 O ATOM 0 H ASP A 35 -1.458 -12.290 -6.103 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.632 -9.861 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.306 -12.394 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.535 -11.079 -8.712 1.00 0.00 H new ATOM 538 N THR A 36 -3.776 -10.405 -5.212 1.00 0.00 N ATOM 539 CA THR A 36 -4.832 -9.802 -4.424 1.00 0.00 C ATOM 540 C THR A 36 -4.344 -8.532 -3.754 1.00 0.00 C ATOM 541 O THR A 36 -5.015 -7.505 -3.802 1.00 0.00 O ATOM 542 CB THR A 36 -5.367 -10.788 -3.366 1.00 0.00 C ATOM 543 OG1 THR A 36 -5.939 -11.935 -4.009 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.399 -10.132 -2.462 1.00 0.00 C ATOM 0 H THR A 36 -3.369 -11.245 -4.800 1.00 0.00 H new ATOM 0 HA THR A 36 -5.648 -9.549 -5.101 1.00 0.00 H new ATOM 0 HB THR A 36 -4.527 -11.099 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.275 -12.557 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.754 -10.857 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.945 -9.286 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.239 -9.782 -3.062 1.00 0.00 H new ATOM 552 N ILE A 37 -3.165 -8.594 -3.156 1.00 0.00 N ATOM 553 CA ILE A 37 -2.561 -7.416 -2.557 1.00 0.00 C ATOM 554 C ILE A 37 -2.330 -6.370 -3.639 1.00 0.00 C ATOM 555 O ILE A 37 -2.471 -5.170 -3.411 1.00 0.00 O ATOM 556 CB ILE A 37 -1.218 -7.755 -1.874 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.388 -8.941 -0.922 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.686 -6.544 -1.118 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.079 -9.497 -0.409 1.00 0.00 C ATOM 0 H ILE A 37 -2.609 -9.445 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.239 -7.032 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.498 -8.028 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.999 -8.631 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.933 -9.733 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.261 -6.799 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.532 -5.719 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.406 -6.246 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.277 -10.335 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.526 -9.838 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.459 -8.719 0.133 1.00 0.00 H new ATOM 571 N GLU A 38 -2.013 -6.854 -4.834 1.00 0.00 N ATOM 572 CA GLU A 38 -1.731 -5.992 -5.965 1.00 0.00 C ATOM 573 C GLU A 38 -3.006 -5.353 -6.509 1.00 0.00 C ATOM 574 O GLU A 38 -2.970 -4.285 -7.115 1.00 0.00 O ATOM 575 CB GLU A 38 -1.005 -6.790 -7.051 1.00 0.00 C ATOM 576 CG GLU A 38 -0.427 -5.945 -8.171 1.00 0.00 C ATOM 577 CD GLU A 38 0.477 -6.747 -9.084 1.00 0.00 C ATOM 578 OE1 GLU A 38 -0.040 -7.429 -9.995 1.00 0.00 O ATOM 579 OE2 GLU A 38 1.709 -6.701 -8.892 1.00 0.00 O ATOM 0 H GLU A 38 -1.946 -7.850 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.084 -5.180 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.198 -7.359 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.700 -7.513 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.240 -5.513 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.135 -5.114 -7.744 1.00 0.00 H new ATOM 586 N LYS A 39 -4.132 -6.009 -6.289 1.00 0.00 N ATOM 587 CA LYS A 39 -5.417 -5.465 -6.692 1.00 0.00 C ATOM 588 C LYS A 39 -5.960 -4.537 -5.611 1.00 0.00 C ATOM 589 O LYS A 39 -6.425 -3.434 -5.896 1.00 0.00 O ATOM 590 CB LYS A 39 -6.406 -6.601 -6.969 1.00 0.00 C ATOM 591 CG LYS A 39 -7.823 -6.131 -7.248 1.00 0.00 C ATOM 592 CD LYS A 39 -7.891 -5.215 -8.458 1.00 0.00 C ATOM 593 CE LYS A 39 -9.293 -4.663 -8.647 1.00 0.00 C ATOM 594 NZ LYS A 39 -10.284 -5.740 -8.910 1.00 0.00 N ATOM 0 H LYS A 39 -4.182 -6.920 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.284 -4.888 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.051 -7.178 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.419 -7.274 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.466 -6.996 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.210 -5.607 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.186 -4.392 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.589 -5.763 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.588 -4.109 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.296 -3.957 -9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.189 -5.316 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.932 -6.358 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.425 -6.301 -8.045 1.00 0.00 H new ATOM 608 N GLU A 40 -5.869 -4.984 -4.369 1.00 0.00 N ATOM 609 CA GLU A 40 -6.411 -4.240 -3.242 1.00 0.00 C ATOM 610 C GLU A 40 -5.677 -2.935 -3.032 1.00 0.00 C ATOM 611 O GLU A 40 -6.290 -1.945 -2.659 1.00 0.00 O ATOM 612 CB GLU A 40 -6.384 -5.072 -1.962 1.00 0.00 C ATOM 613 CG GLU A 40 -7.398 -6.199 -1.958 1.00 0.00 C ATOM 614 CD GLU A 40 -8.800 -5.705 -2.244 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.365 -4.978 -1.400 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.339 -6.035 -3.322 1.00 0.00 O ATOM 0 H GLU A 40 -5.422 -5.865 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.449 -4.011 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.386 -5.490 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.572 -4.420 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.117 -6.942 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.381 -6.698 -0.989 1.00 0.00 H new ATOM 623 N LEU A 41 -4.373 -2.925 -3.269 1.00 0.00 N ATOM 624 CA LEU A 41 -3.623 -1.677 -3.243 1.00 0.00 C ATOM 625 C LEU A 41 -4.243 -0.688 -4.216 1.00 0.00 C ATOM 626 O LEU A 41 -4.408 0.482 -3.911 1.00 0.00 O ATOM 627 CB LEU A 41 -2.154 -1.922 -3.592 1.00 0.00 C ATOM 628 CG LEU A 41 -1.277 -2.348 -2.418 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.043 -2.913 -2.909 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.029 -1.170 -1.490 1.00 0.00 C ATOM 0 H LEU A 41 -3.818 -3.755 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.665 -1.261 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.102 -2.691 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.741 -1.010 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.801 -3.128 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.652 -3.210 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.145 -3.782 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.572 -2.154 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.402 -1.489 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.526 -0.374 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.981 -0.802 -1.107 1.00 0.00 H new ATOM 642 N ILE A 42 -4.651 -1.197 -5.364 1.00 0.00 N ATOM 643 CA ILE A 42 -5.217 -0.371 -6.411 1.00 0.00 C ATOM 644 C ILE A 42 -6.624 0.103 -6.048 1.00 0.00 C ATOM 645 O ILE A 42 -6.998 1.242 -6.325 1.00 0.00 O ATOM 646 CB ILE A 42 -5.226 -1.143 -7.747 1.00 0.00 C ATOM 647 CG1 ILE A 42 -3.794 -1.308 -8.262 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.098 -0.455 -8.782 1.00 0.00 C ATOM 649 CD1 ILE A 42 -3.698 -2.059 -9.571 1.00 0.00 C ATOM 0 H ILE A 42 -4.599 -2.189 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.592 0.516 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.654 -2.130 -7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.347 -0.322 -8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.205 -1.832 -7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.081 -1.026 -9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.122 -0.394 -8.413 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.719 0.550 -8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.653 -2.135 -9.871 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.114 -3.059 -9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.258 -1.525 -10.339 1.00 0.00 H new ATOM 661 N SER A 43 -7.397 -0.765 -5.421 1.00 0.00 N ATOM 662 CA SER A 43 -8.749 -0.413 -5.008 1.00 0.00 C ATOM 663 C SER A 43 -8.720 0.498 -3.775 1.00 0.00 C ATOM 664 O SER A 43 -9.321 1.573 -3.767 1.00 0.00 O ATOM 665 CB SER A 43 -9.557 -1.683 -4.718 1.00 0.00 C ATOM 666 OG SER A 43 -10.930 -1.390 -4.523 1.00 0.00 O ATOM 0 H SER A 43 -7.116 -1.717 -5.186 1.00 0.00 H new ATOM 0 HA SER A 43 -9.230 0.132 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.447 -2.383 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.159 -2.174 -3.830 1.00 0.00 H new ATOM 0 HG SER A 43 -11.419 -2.220 -4.342 1.00 0.00 H new ATOM 672 N PHE A 44 -7.980 0.075 -2.756 1.00 0.00 N ATOM 673 CA PHE A 44 -7.926 0.774 -1.474 1.00 0.00 C ATOM 674 C PHE A 44 -7.347 2.177 -1.639 1.00 0.00 C ATOM 675 O PHE A 44 -7.705 3.098 -0.907 1.00 0.00 O ATOM 676 CB PHE A 44 -7.074 -0.034 -0.489 1.00 0.00 C ATOM 677 CG PHE A 44 -7.191 0.394 0.949 1.00 0.00 C ATOM 678 CD1 PHE A 44 -6.357 1.372 1.467 1.00 0.00 C ATOM 679 CD2 PHE A 44 -8.124 -0.199 1.786 1.00 0.00 C ATOM 680 CE1 PHE A 44 -6.452 1.754 2.790 1.00 0.00 C ATOM 681 CE2 PHE A 44 -8.221 0.179 3.112 1.00 0.00 C ATOM 682 CZ PHE A 44 -7.384 1.156 3.614 1.00 0.00 C ATOM 0 H PHE A 44 -7.400 -0.763 -2.794 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.940 0.872 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.355 -1.084 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.029 0.038 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.624 1.841 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.781 -0.963 1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.798 2.520 3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.951 -0.290 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.459 1.452 4.650 1.00 0.00 H new ATOM 692 N CYS A 45 -6.455 2.335 -2.606 1.00 0.00 N ATOM 693 CA CYS A 45 -5.835 3.626 -2.863 1.00 0.00 C ATOM 694 C CYS A 45 -6.823 4.644 -3.408 1.00 0.00 C ATOM 695 O CYS A 45 -6.628 5.840 -3.240 1.00 0.00 O ATOM 696 CB CYS A 45 -4.658 3.467 -3.811 1.00 0.00 C ATOM 697 SG CYS A 45 -3.143 2.934 -2.969 1.00 0.00 S ATOM 0 H CYS A 45 -6.145 1.586 -3.225 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.477 4.008 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.914 2.740 -4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.473 4.415 -4.315 1.00 0.00 H new ATOM 702 N LEU A 46 -7.857 4.186 -4.093 1.00 0.00 N ATOM 703 CA LEU A 46 -8.924 5.082 -4.519 1.00 0.00 C ATOM 704 C LEU A 46 -10.006 5.176 -3.443 1.00 0.00 C ATOM 705 O LEU A 46 -10.849 6.074 -3.462 1.00 0.00 O ATOM 706 CB LEU A 46 -9.516 4.643 -5.859 1.00 0.00 C ATOM 707 CG LEU A 46 -8.709 5.049 -7.102 1.00 0.00 C ATOM 708 CD1 LEU A 46 -8.462 6.550 -7.111 1.00 0.00 C ATOM 709 CD2 LEU A 46 -7.392 4.291 -7.178 1.00 0.00 C ATOM 0 H LEU A 46 -7.982 3.211 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.496 6.074 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.620 3.558 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.520 5.059 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.297 4.787 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.889 6.819 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.417 7.076 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.903 6.832 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.845 4.601 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.796 4.508 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.591 3.220 -7.228 1.00 0.00 H new ATOM 721 N ASP A 47 -9.964 4.235 -2.504 1.00 0.00 N ATOM 722 CA ASP A 47 -10.934 4.168 -1.410 1.00 0.00 C ATOM 723 C ASP A 47 -10.569 5.161 -0.309 1.00 0.00 C ATOM 724 O ASP A 47 -11.413 5.575 0.488 1.00 0.00 O ATOM 725 CB ASP A 47 -10.973 2.743 -0.844 1.00 0.00 C ATOM 726 CG ASP A 47 -12.002 2.561 0.254 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.188 2.359 -0.070 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.628 2.596 1.445 1.00 0.00 O ATOM 0 H ASP A 47 -9.259 3.498 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.919 4.430 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.188 2.044 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.988 2.487 -0.455 1.00 0.00 H new ATOM 733 N THR A 48 -9.303 5.541 -0.276 1.00 0.00 N ATOM 734 CA THR A 48 -8.803 6.493 0.701 1.00 0.00 C ATOM 735 C THR A 48 -9.191 7.930 0.345 1.00 0.00 C ATOM 736 O THR A 48 -10.024 8.156 -0.539 1.00 0.00 O ATOM 737 CB THR A 48 -7.277 6.378 0.808 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.742 5.915 -0.437 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.874 5.426 1.925 1.00 0.00 C ATOM 0 H THR A 48 -8.594 5.199 -0.925 1.00 0.00 H new ATOM 0 HA THR A 48 -9.259 6.253 1.661 1.00 0.00 H new ATOM 0 HB THR A 48 -6.875 7.364 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.767 5.843 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.787 5.365 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.262 5.794 2.875 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.284 4.436 1.725 1.00 0.00 H new ATOM 747 N LYS A 49 -8.591 8.897 1.025 1.00 0.00 N ATOM 748 CA LYS A 49 -8.888 10.304 0.775 1.00 0.00 C ATOM 749 C LYS A 49 -7.901 10.879 -0.221 1.00 0.00 C ATOM 750 O LYS A 49 -6.886 10.262 -0.500 1.00 0.00 O ATOM 751 CB LYS A 49 -8.827 11.098 2.080 1.00 0.00 C ATOM 752 CG LYS A 49 -9.384 10.344 3.274 1.00 0.00 C ATOM 753 CD LYS A 49 -8.998 11.012 4.581 1.00 0.00 C ATOM 754 CE LYS A 49 -9.126 10.046 5.748 1.00 0.00 C ATOM 755 NZ LYS A 49 -8.128 8.943 5.666 1.00 0.00 N ATOM 0 H LYS A 49 -7.896 8.735 1.754 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.894 10.377 0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.791 11.369 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.382 12.028 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.470 10.291 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.013 9.319 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.973 11.377 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.635 11.880 4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.993 10.588 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.132 9.626 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.555 8.062 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.833 8.815 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.299 9.181 6.246 1.00 0.00 H new ATOM 769 N GLY A 50 -8.200 12.071 -0.725 1.00 0.00 N ATOM 770 CA GLY A 50 -7.436 12.660 -1.815 1.00 0.00 C ATOM 771 C GLY A 50 -5.933 12.643 -1.609 1.00 0.00 C ATOM 772 O GLY A 50 -5.191 12.269 -2.517 1.00 0.00 O ATOM 0 H GLY A 50 -8.971 12.650 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.670 12.126 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.760 13.692 -1.953 1.00 0.00 H new ATOM 776 N LYS A 51 -5.479 13.037 -0.424 1.00 0.00 N ATOM 777 CA LYS A 51 -4.049 13.038 -0.117 1.00 0.00 C ATOM 778 C LYS A 51 -3.478 11.636 -0.256 1.00 0.00 C ATOM 779 O LYS A 51 -2.374 11.450 -0.754 1.00 0.00 O ATOM 780 CB LYS A 51 -3.797 13.535 1.305 1.00 0.00 C ATOM 781 CG LYS A 51 -2.326 13.754 1.620 1.00 0.00 C ATOM 782 CD LYS A 51 -1.733 14.888 0.799 1.00 0.00 C ATOM 783 CE LYS A 51 -2.263 16.240 1.246 1.00 0.00 C ATOM 784 NZ LYS A 51 -1.627 17.355 0.500 1.00 0.00 N ATOM 0 H LYS A 51 -6.076 13.359 0.338 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.559 13.708 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.336 14.471 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.208 12.814 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.211 13.975 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.772 12.836 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.647 14.874 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.966 14.736 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.343 16.274 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.082 16.367 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.014 18.261 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.599 17.338 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.821 17.248 -0.516 1.00 0.00 H new ATOM 798 N GLU A 52 -4.261 10.662 0.172 1.00 0.00 N ATOM 799 CA GLU A 52 -3.846 9.270 0.176 1.00 0.00 C ATOM 800 C GLU A 52 -4.000 8.670 -1.219 1.00 0.00 C ATOM 801 O GLU A 52 -3.180 7.862 -1.654 1.00 0.00 O ATOM 802 CB GLU A 52 -4.687 8.500 1.191 1.00 0.00 C ATOM 803 CG GLU A 52 -4.830 9.230 2.517 1.00 0.00 C ATOM 804 CD GLU A 52 -5.778 8.541 3.472 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.985 8.449 3.167 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.330 8.104 4.544 1.00 0.00 O ATOM 0 H GLU A 52 -5.205 10.814 0.528 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.795 9.202 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.677 8.320 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.233 7.525 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.850 9.316 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.184 10.244 2.331 1.00 0.00 H new ATOM 813 N ASN A 53 -5.052 9.087 -1.918 1.00 0.00 N ATOM 814 CA ASN A 53 -5.261 8.689 -3.303 1.00 0.00 C ATOM 815 C ASN A 53 -4.062 9.149 -4.126 1.00 0.00 C ATOM 816 O ASN A 53 -3.479 8.380 -4.889 1.00 0.00 O ATOM 817 CB ASN A 53 -6.548 9.303 -3.894 1.00 0.00 C ATOM 818 CG ASN A 53 -7.802 9.091 -3.068 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.702 9.932 -3.071 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.900 7.967 -2.394 1.00 0.00 N ATOM 0 H ASN A 53 -5.774 9.703 -1.544 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.368 7.605 -3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.394 10.374 -4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.710 8.882 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.741 7.769 -1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.135 7.292 -2.414 1.00 0.00 H new ATOM 827 N ARG A 54 -3.685 10.413 -3.931 1.00 0.00 N ATOM 828 CA ARG A 54 -2.534 11.001 -4.607 1.00 0.00 C ATOM 829 C ARG A 54 -1.238 10.366 -4.106 1.00 0.00 C ATOM 830 O ARG A 54 -0.304 10.143 -4.877 1.00 0.00 O ATOM 831 CB ARG A 54 -2.502 12.515 -4.374 1.00 0.00 C ATOM 832 CG ARG A 54 -1.361 13.215 -5.090 1.00 0.00 C ATOM 833 CD ARG A 54 -1.459 13.034 -6.595 1.00 0.00 C ATOM 834 NE ARG A 54 -0.294 13.565 -7.293 1.00 0.00 N ATOM 835 CZ ARG A 54 -0.066 13.397 -8.596 1.00 0.00 C ATOM 836 NH1 ARG A 54 -0.957 12.769 -9.356 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.045 13.873 -9.139 1.00 0.00 N ATOM 0 H ARG A 54 -4.169 11.054 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.625 10.809 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.447 12.945 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.422 12.708 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.375 14.278 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.409 12.819 -4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.566 11.974 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.357 13.532 -6.961 1.00 0.00 H new ATOM 0 HE ARG A 54 0.388 14.097 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.819 12.413 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.779 12.643 -10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.724 14.367 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.221 13.745 -10.136 1.00 0.00 H new ATOM 851 N LEU A 55 -1.201 10.078 -2.812 1.00 0.00 N ATOM 852 CA LEU A 55 -0.063 9.422 -2.172 1.00 0.00 C ATOM 853 C LEU A 55 0.310 8.136 -2.901 1.00 0.00 C ATOM 854 O LEU A 55 1.486 7.822 -3.075 1.00 0.00 O ATOM 855 CB LEU A 55 -0.418 9.117 -0.713 1.00 0.00 C ATOM 856 CG LEU A 55 0.566 8.247 0.062 1.00 0.00 C ATOM 857 CD1 LEU A 55 1.862 8.991 0.334 1.00 0.00 C ATOM 858 CD2 LEU A 55 -0.076 7.786 1.359 1.00 0.00 C ATOM 0 H LEU A 55 -1.964 10.294 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 55 0.798 10.089 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.526 10.064 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.392 8.629 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 55 0.813 7.375 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.543 8.345 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.322 9.278 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.652 9.885 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.628 7.164 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.344 8.654 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.973 7.208 1.136 1.00 0.00 H new ATOM 870 N CYS A 56 -0.699 7.410 -3.351 1.00 0.00 N ATOM 871 CA CYS A 56 -0.484 6.141 -4.024 1.00 0.00 C ATOM 872 C CYS A 56 0.102 6.311 -5.419 1.00 0.00 C ATOM 873 O CYS A 56 0.609 5.352 -5.998 1.00 0.00 O ATOM 874 CB CYS A 56 -1.780 5.353 -4.080 1.00 0.00 C ATOM 875 SG CYS A 56 -2.279 4.689 -2.467 1.00 0.00 S ATOM 0 H CYS A 56 -1.679 7.679 -3.262 1.00 0.00 H new ATOM 0 HA CYS A 56 0.251 5.586 -3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.573 5.996 -4.463 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.668 4.530 -4.786 1.00 0.00 H new ATOM 880 N TYR A 57 0.055 7.521 -5.958 1.00 0.00 N ATOM 881 CA TYR A 57 0.722 7.797 -7.224 1.00 0.00 C ATOM 882 C TYR A 57 2.227 7.845 -7.001 1.00 0.00 C ATOM 883 O TYR A 57 3.012 7.639 -7.923 1.00 0.00 O ATOM 884 CB TYR A 57 0.220 9.102 -7.849 1.00 0.00 C ATOM 885 CG TYR A 57 -1.168 8.995 -8.442 1.00 0.00 C ATOM 886 CD1 TYR A 57 -2.292 9.034 -7.633 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.353 8.855 -9.812 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.561 8.938 -8.165 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.622 8.759 -10.355 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.723 8.800 -9.526 1.00 0.00 C ATOM 891 OH TYR A 57 -4.991 8.712 -10.059 1.00 0.00 O ATOM 0 H TYR A 57 -0.431 8.318 -5.546 1.00 0.00 H new ATOM 0 HA TYR A 57 0.487 6.996 -7.925 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.222 9.883 -7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.916 9.413 -8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.172 9.142 -6.565 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.492 8.821 -10.464 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.424 8.971 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.749 8.653 -11.422 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.931 8.619 -11.033 1.00 0.00 H new ATOM 901 N TYR A 58 2.618 8.115 -5.762 1.00 0.00 N ATOM 902 CA TYR A 58 4.011 8.008 -5.359 1.00 0.00 C ATOM 903 C TYR A 58 4.318 6.568 -4.961 1.00 0.00 C ATOM 904 O TYR A 58 5.321 5.998 -5.387 1.00 0.00 O ATOM 905 CB TYR A 58 4.321 8.939 -4.183 1.00 0.00 C ATOM 906 CG TYR A 58 4.263 10.416 -4.511 1.00 0.00 C ATOM 907 CD1 TYR A 58 3.061 11.114 -4.480 1.00 0.00 C ATOM 908 CD2 TYR A 58 5.418 11.117 -4.834 1.00 0.00 C ATOM 909 CE1 TYR A 58 3.013 12.465 -4.767 1.00 0.00 C ATOM 910 CE2 TYR A 58 5.378 12.468 -5.118 1.00 0.00 C ATOM 911 CZ TYR A 58 4.174 13.137 -5.085 1.00 0.00 C ATOM 912 OH TYR A 58 4.132 14.485 -5.367 1.00 0.00 O ATOM 0 H TYR A 58 1.986 8.411 -5.018 1.00 0.00 H new ATOM 0 HA TYR A 58 4.634 8.303 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.616 8.732 -3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.316 8.704 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.150 10.592 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.364 10.596 -4.864 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.071 12.992 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.286 12.998 -5.365 1.00 0.00 H new ATOM 0 HH TYR A 58 5.036 14.805 -5.570 1.00 0.00 H new ATOM 922 N LEU A 59 3.432 5.987 -4.150 1.00 0.00 N ATOM 923 CA LEU A 59 3.601 4.618 -3.652 1.00 0.00 C ATOM 924 C LEU A 59 3.611 3.597 -4.794 1.00 0.00 C ATOM 925 O LEU A 59 4.156 2.505 -4.654 1.00 0.00 O ATOM 926 CB LEU A 59 2.487 4.268 -2.654 1.00 0.00 C ATOM 927 CG LEU A 59 2.464 5.096 -1.361 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.196 4.816 -0.576 1.00 0.00 C ATOM 929 CD2 LEU A 59 3.680 4.793 -0.496 1.00 0.00 C ATOM 0 H LEU A 59 2.583 6.447 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 59 4.566 4.573 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.526 4.385 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.581 3.215 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 59 2.489 6.150 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.195 5.410 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.328 5.079 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.153 3.757 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.638 5.393 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.685 3.735 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.588 5.034 -1.048 1.00 0.00 H new ATOM 941 N GLY A 60 2.991 3.955 -5.913 1.00 0.00 N ATOM 942 CA GLY A 60 3.000 3.091 -7.079 1.00 0.00 C ATOM 943 C GLY A 60 1.787 2.188 -7.144 1.00 0.00 C ATOM 944 O GLY A 60 1.695 1.317 -8.009 1.00 0.00 O ATOM 0 H GLY A 60 2.481 4.830 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.041 3.703 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.903 2.480 -7.067 1.00 0.00 H new ATOM 948 N ALA A 61 0.842 2.408 -6.240 1.00 0.00 N ATOM 949 CA ALA A 61 -0.356 1.583 -6.169 1.00 0.00 C ATOM 950 C ALA A 61 -1.465 2.163 -7.037 1.00 0.00 C ATOM 951 O ALA A 61 -2.544 2.508 -6.555 1.00 0.00 O ATOM 952 CB ALA A 61 -0.814 1.439 -4.727 1.00 0.00 C ATOM 0 H ALA A 61 0.882 3.153 -5.544 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.115 0.592 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.710 0.820 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.025 0.970 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.036 2.424 -4.316 1.00 0.00 H new ATOM 958 N THR A 62 -1.180 2.272 -8.322 1.00 0.00 N ATOM 959 CA THR A 62 -2.127 2.800 -9.283 1.00 0.00 C ATOM 960 C THR A 62 -1.649 2.482 -10.693 1.00 0.00 C ATOM 961 O THR A 62 -0.446 2.444 -10.957 1.00 0.00 O ATOM 962 CB THR A 62 -2.321 4.329 -9.109 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.162 4.856 -10.143 1.00 0.00 O ATOM 964 CG2 THR A 62 -0.988 5.061 -9.119 1.00 0.00 C ATOM 0 H THR A 62 -0.285 1.997 -8.727 1.00 0.00 H new ATOM 0 HA THR A 62 -3.094 2.327 -9.110 1.00 0.00 H new ATOM 0 HB THR A 62 -2.798 4.486 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.273 5.821 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.159 6.130 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.366 4.696 -8.302 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.482 4.882 -10.068 1.00 0.00 H new ATOM 972 N LYS A 63 -2.592 2.258 -11.597 1.00 0.00 N ATOM 973 CA LYS A 63 -2.272 1.865 -12.962 1.00 0.00 C ATOM 974 C LYS A 63 -2.044 3.095 -13.830 1.00 0.00 C ATOM 975 O LYS A 63 -2.221 3.065 -15.051 1.00 0.00 O ATOM 976 CB LYS A 63 -3.394 0.993 -13.524 1.00 0.00 C ATOM 977 CG LYS A 63 -3.601 -0.282 -12.724 1.00 0.00 C ATOM 978 CD LYS A 63 -4.794 -1.088 -13.212 1.00 0.00 C ATOM 979 CE LYS A 63 -4.622 -1.542 -14.651 1.00 0.00 C ATOM 980 NZ LYS A 63 -5.647 -2.545 -15.039 1.00 0.00 N ATOM 0 H LYS A 63 -3.591 2.342 -11.408 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.350 1.284 -12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.322 1.565 -13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.165 0.735 -14.558 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.702 -0.896 -12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.743 -0.029 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.930 -1.959 -12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.698 -0.485 -13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.688 -0.680 -15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.628 -1.969 -14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.497 -2.830 -16.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.568 -3.379 -14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.595 -2.129 -14.939 1.00 0.00 H new ATOM 994 N ASP A 64 -1.673 4.184 -13.174 1.00 0.00 N ATOM 995 CA ASP A 64 -1.307 5.417 -13.850 1.00 0.00 C ATOM 996 C ASP A 64 0.075 5.853 -13.383 1.00 0.00 C ATOM 997 O ASP A 64 0.505 6.985 -13.611 1.00 0.00 O ATOM 998 CB ASP A 64 -2.343 6.512 -13.573 1.00 0.00 C ATOM 999 CG ASP A 64 -3.695 6.194 -14.181 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -4.515 5.525 -13.516 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -3.944 6.604 -15.336 1.00 0.00 O ATOM 0 H ASP A 64 -1.618 4.237 -12.157 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.284 5.245 -14.926 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.453 6.641 -12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.982 7.460 -13.972 1.00 0.00 H new ATOM 1006 N ALA A 65 0.763 4.932 -12.724 1.00 0.00 N ATOM 1007 CA ALA A 65 2.107 5.171 -12.225 1.00 0.00 C ATOM 1008 C ALA A 65 2.951 3.918 -12.403 1.00 0.00 C ATOM 1009 O ALA A 65 2.489 2.929 -12.976 1.00 0.00 O ATOM 1010 CB ALA A 65 2.066 5.584 -10.762 1.00 0.00 C ATOM 0 H ALA A 65 0.404 3.999 -12.521 1.00 0.00 H new ATOM 0 HA ALA A 65 2.557 5.984 -12.794 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.081 5.759 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.482 6.499 -10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.606 4.791 -10.173 1.00 0.00 H new ATOM 1016 N ALA A 66 4.183 3.958 -11.917 1.00 0.00 N ATOM 1017 CA ALA A 66 5.087 2.825 -12.039 1.00 0.00 C ATOM 1018 C ALA A 66 4.695 1.703 -11.084 1.00 0.00 C ATOM 1019 O ALA A 66 5.177 1.636 -9.955 1.00 0.00 O ATOM 1020 CB ALA A 66 6.523 3.261 -11.790 1.00 0.00 C ATOM 0 H ALA A 66 4.579 4.764 -11.434 1.00 0.00 H new ATOM 0 HA ALA A 66 5.011 2.441 -13.056 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.186 2.401 -11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.805 4.019 -12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.608 3.676 -10.786 1.00 0.00 H new ATOM 1026 N THR A 67 3.822 0.819 -11.555 1.00 0.00 N ATOM 1027 CA THR A 67 3.371 -0.322 -10.774 1.00 0.00 C ATOM 1028 C THR A 67 4.504 -1.302 -10.498 1.00 0.00 C ATOM 1029 O THR A 67 4.414 -2.120 -9.588 1.00 0.00 O ATOM 1030 CB THR A 67 2.249 -1.073 -11.504 1.00 0.00 C ATOM 1031 OG1 THR A 67 2.149 -0.606 -12.859 1.00 0.00 O ATOM 1032 CG2 THR A 67 0.915 -0.893 -10.794 1.00 0.00 C ATOM 0 H THR A 67 3.410 0.875 -12.486 1.00 0.00 H new ATOM 0 HA THR A 67 3.003 0.074 -9.827 1.00 0.00 H new ATOM 0 HB THR A 67 2.494 -2.135 -11.503 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.432 -1.090 -13.320 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.139 -1.436 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.989 -1.280 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.660 0.166 -10.761 1.00 0.00 H new ATOM 1040 N LYS A 68 5.571 -1.212 -11.282 1.00 0.00 N ATOM 1041 CA LYS A 68 6.705 -2.116 -11.136 1.00 0.00 C ATOM 1042 C LYS A 68 7.356 -1.993 -9.756 1.00 0.00 C ATOM 1043 O LYS A 68 8.035 -2.912 -9.299 1.00 0.00 O ATOM 1044 CB LYS A 68 7.739 -1.859 -12.230 1.00 0.00 C ATOM 1045 CG LYS A 68 8.257 -0.434 -12.258 1.00 0.00 C ATOM 1046 CD LYS A 68 9.350 -0.248 -13.303 1.00 0.00 C ATOM 1047 CE LYS A 68 8.857 -0.557 -14.709 1.00 0.00 C ATOM 1048 NZ LYS A 68 7.780 0.369 -15.140 1.00 0.00 N ATOM 0 H LYS A 68 5.675 -0.522 -12.026 1.00 0.00 H new ATOM 0 HA LYS A 68 6.325 -3.133 -11.235 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.579 -2.539 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.297 -2.094 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.433 0.248 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.646 -0.170 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.716 0.778 -13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.193 -0.896 -13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.691 -0.492 -15.407 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.489 -1.582 -14.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.569 0.211 -16.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.925 0.194 -14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.091 1.352 -15.002 1.00 0.00 H new ATOM 1062 N ILE A 69 7.144 -0.862 -9.090 1.00 0.00 N ATOM 1063 CA ILE A 69 7.702 -0.650 -7.759 1.00 0.00 C ATOM 1064 C ILE A 69 6.785 -1.235 -6.699 1.00 0.00 C ATOM 1065 O ILE A 69 7.181 -1.423 -5.551 1.00 0.00 O ATOM 1066 CB ILE A 69 7.919 0.847 -7.447 1.00 0.00 C ATOM 1067 CG1 ILE A 69 6.591 1.540 -7.114 1.00 0.00 C ATOM 1068 CG2 ILE A 69 8.582 1.528 -8.627 1.00 0.00 C ATOM 1069 CD1 ILE A 69 6.747 2.998 -6.736 1.00 0.00 C ATOM 0 H ILE A 69 6.593 -0.082 -9.448 1.00 0.00 H new ATOM 0 HA ILE A 69 8.669 -1.152 -7.745 1.00 0.00 H new ATOM 0 HB ILE A 69 8.568 0.925 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.926 1.465 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.110 1.010 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.732 2.584 -8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.546 1.058 -8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.946 1.433 -9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.768 3.423 -6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.386 3.080 -5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.199 3.542 -7.565 1.00 0.00 H new ATOM 1081 N LEU A 70 5.559 -1.543 -7.100 1.00 0.00 N ATOM 1082 CA LEU A 70 4.533 -1.943 -6.156 1.00 0.00 C ATOM 1083 C LEU A 70 4.836 -3.323 -5.575 1.00 0.00 C ATOM 1084 O LEU A 70 4.260 -3.731 -4.560 1.00 0.00 O ATOM 1085 CB LEU A 70 3.159 -1.934 -6.825 1.00 0.00 C ATOM 1086 CG LEU A 70 1.974 -2.033 -5.869 1.00 0.00 C ATOM 1087 CD1 LEU A 70 1.981 -0.859 -4.902 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.668 -2.086 -6.644 1.00 0.00 C ATOM 0 H LEU A 70 5.254 -1.523 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 70 4.525 -1.224 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.061 -1.017 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.109 -2.765 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 70 2.064 -2.954 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.131 -0.940 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.906 -0.868 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.911 0.074 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.166 -2.156 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.564 -1.182 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.668 -2.958 -7.298 1.00 0.00 H new ATOM 1100 N SER A 71 5.745 -4.038 -6.225 1.00 0.00 N ATOM 1101 CA SER A 71 6.213 -5.322 -5.729 1.00 0.00 C ATOM 1102 C SER A 71 6.877 -5.159 -4.362 1.00 0.00 C ATOM 1103 O SER A 71 6.819 -6.060 -3.520 1.00 0.00 O ATOM 1104 CB SER A 71 7.180 -5.943 -6.739 1.00 0.00 C ATOM 1105 OG SER A 71 8.018 -4.952 -7.315 1.00 0.00 O ATOM 0 H SER A 71 6.174 -3.746 -7.103 1.00 0.00 H new ATOM 0 HA SER A 71 5.361 -5.990 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.791 -6.699 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.617 -6.449 -7.523 1.00 0.00 H new ATOM 0 HG SER A 71 7.580 -4.572 -8.105 1.00 0.00 H new ATOM 1111 N GLU A 72 7.464 -3.984 -4.139 1.00 0.00 N ATOM 1112 CA GLU A 72 8.114 -3.662 -2.873 1.00 0.00 C ATOM 1113 C GLU A 72 7.116 -3.650 -1.724 1.00 0.00 C ATOM 1114 O GLU A 72 7.482 -3.887 -0.577 1.00 0.00 O ATOM 1115 CB GLU A 72 8.806 -2.300 -2.957 1.00 0.00 C ATOM 1116 CG GLU A 72 10.043 -2.296 -3.834 1.00 0.00 C ATOM 1117 CD GLU A 72 11.121 -3.216 -3.306 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.676 -2.929 -2.225 1.00 0.00 O ATOM 1119 OE2 GLU A 72 11.421 -4.230 -3.969 1.00 0.00 O ATOM 0 H GLU A 72 7.502 -3.233 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 72 8.856 -4.437 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.098 -1.566 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.083 -1.981 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.771 -2.601 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.435 -1.281 -3.902 1.00 0.00 H new ATOM 1126 N VAL A 73 5.867 -3.327 -2.027 1.00 0.00 N ATOM 1127 CA VAL A 73 4.816 -3.336 -1.020 1.00 0.00 C ATOM 1128 C VAL A 73 4.164 -4.718 -0.915 1.00 0.00 C ATOM 1129 O VAL A 73 4.176 -5.351 0.143 1.00 0.00 O ATOM 1130 CB VAL A 73 3.738 -2.274 -1.336 1.00 0.00 C ATOM 1131 CG1 VAL A 73 2.653 -2.265 -0.268 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.369 -0.898 -1.466 1.00 0.00 C ATOM 0 H VAL A 73 5.557 -3.056 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 73 5.279 -3.094 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 73 3.274 -2.534 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.907 -1.509 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.177 -3.245 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.097 -2.035 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.596 -0.163 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.862 -0.634 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.102 -0.909 -2.272 1.00 0.00 H new ATOM 1142 N THR A 74 3.651 -5.191 -2.048 1.00 0.00 N ATOM 1143 CA THR A 74 2.849 -6.416 -2.116 1.00 0.00 C ATOM 1144 C THR A 74 3.538 -7.625 -1.484 1.00 0.00 C ATOM 1145 O THR A 74 2.927 -8.344 -0.694 1.00 0.00 O ATOM 1146 CB THR A 74 2.511 -6.749 -3.582 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.668 -6.543 -4.406 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.370 -5.886 -4.093 1.00 0.00 C ATOM 0 H THR A 74 3.779 -4.735 -2.951 1.00 0.00 H new ATOM 0 HA THR A 74 1.943 -6.216 -1.544 1.00 0.00 H new ATOM 0 HB THR A 74 2.202 -7.793 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.782 -5.585 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.155 -6.144 -5.130 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.482 -6.059 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.653 -4.835 -4.032 1.00 0.00 H new ATOM 1156 N ARG A 75 4.802 -7.847 -1.825 1.00 0.00 N ATOM 1157 CA ARG A 75 5.506 -9.039 -1.362 1.00 0.00 C ATOM 1158 C ARG A 75 5.687 -9.045 0.162 1.00 0.00 C ATOM 1159 O ARG A 75 5.344 -10.034 0.809 1.00 0.00 O ATOM 1160 CB ARG A 75 6.847 -9.218 -2.094 1.00 0.00 C ATOM 1161 CG ARG A 75 6.720 -9.891 -3.456 1.00 0.00 C ATOM 1162 CD ARG A 75 5.913 -9.055 -4.439 1.00 0.00 C ATOM 1163 NE ARG A 75 5.723 -9.741 -5.717 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.984 -9.266 -6.722 1.00 0.00 C ATOM 1165 NH1 ARG A 75 4.302 -8.135 -6.586 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.906 -9.945 -7.858 1.00 0.00 N ATOM 0 H ARG A 75 5.356 -7.225 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 75 4.881 -9.897 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.312 -8.241 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.516 -9.809 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.714 -10.070 -3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.245 -10.865 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.941 -8.823 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.421 -8.106 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 75 6.185 -10.641 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.339 -7.619 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.741 -7.782 -7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.409 -10.826 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.343 -9.586 -8.629 1.00 0.00 H new ATOM 1180 N PRO A 76 6.227 -7.972 0.774 1.00 0.00 N ATOM 1181 CA PRO A 76 6.335 -7.895 2.238 1.00 0.00 C ATOM 1182 C PRO A 76 4.978 -7.932 2.947 1.00 0.00 C ATOM 1183 O PRO A 76 4.849 -8.512 4.028 1.00 0.00 O ATOM 1184 CB PRO A 76 7.031 -6.554 2.478 1.00 0.00 C ATOM 1185 CG PRO A 76 7.739 -6.267 1.207 1.00 0.00 C ATOM 1186 CD PRO A 76 6.850 -6.804 0.128 1.00 0.00 C ATOM 0 HA PRO A 76 6.875 -8.752 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.311 -5.771 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.727 -6.613 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.906 -5.197 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.718 -6.747 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.107 -6.071 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.416 -7.086 -0.760 1.00 0.00 H new ATOM 1194 N MET A 77 3.968 -7.332 2.325 1.00 0.00 N ATOM 1195 CA MET A 77 2.615 -7.302 2.890 1.00 0.00 C ATOM 1196 C MET A 77 1.985 -8.692 2.902 1.00 0.00 C ATOM 1197 O MET A 77 0.967 -8.913 3.547 1.00 0.00 O ATOM 1198 CB MET A 77 1.714 -6.347 2.100 1.00 0.00 C ATOM 1199 CG MET A 77 2.007 -4.875 2.339 1.00 0.00 C ATOM 1200 SD MET A 77 1.680 -4.367 4.035 1.00 0.00 S ATOM 1201 CE MET A 77 1.988 -2.607 3.922 1.00 0.00 C ATOM 0 H MET A 77 4.057 -6.857 1.427 1.00 0.00 H new ATOM 0 HA MET A 77 2.705 -6.948 3.917 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.822 -6.560 1.036 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.675 -6.546 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.051 -4.673 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.402 -4.274 1.661 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.827 -2.146 4.897 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.017 -2.437 3.606 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.307 -2.164 3.195 1.00 0.00 H new ATOM 1211 N SER A 78 2.598 -9.618 2.177 1.00 0.00 N ATOM 1212 CA SER A 78 2.066 -10.964 2.012 1.00 0.00 C ATOM 1213 C SER A 78 2.092 -11.773 3.312 1.00 0.00 C ATOM 1214 O SER A 78 1.473 -12.836 3.391 1.00 0.00 O ATOM 1215 CB SER A 78 2.853 -11.697 0.921 1.00 0.00 C ATOM 1216 OG SER A 78 2.394 -13.028 0.749 1.00 0.00 O ATOM 0 H SER A 78 3.478 -9.457 1.687 1.00 0.00 H new ATOM 0 HA SER A 78 1.020 -10.867 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.761 -11.156 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.912 -11.708 1.180 1.00 0.00 H new ATOM 0 HG SER A 78 1.828 -13.279 1.508 1.00 0.00 H new ATOM 1222 N VAL A 79 2.814 -11.298 4.321 1.00 0.00 N ATOM 1223 CA VAL A 79 2.946 -12.057 5.559 1.00 0.00 C ATOM 1224 C VAL A 79 2.760 -11.187 6.811 1.00 0.00 C ATOM 1225 O VAL A 79 1.826 -11.404 7.585 1.00 0.00 O ATOM 1226 CB VAL A 79 4.302 -12.810 5.611 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.468 -11.880 5.300 1.00 0.00 C ATOM 1228 CG2 VAL A 79 4.499 -13.490 6.959 1.00 0.00 C ATOM 0 H VAL A 79 3.309 -10.406 4.308 1.00 0.00 H new ATOM 0 HA VAL A 79 2.139 -12.790 5.559 1.00 0.00 H new ATOM 0 HB VAL A 79 4.277 -13.581 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.402 -12.440 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.343 -11.462 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.494 -11.072 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.457 -14.010 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.486 -12.740 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.695 -14.207 7.126 1.00 0.00 H new ATOM 1238 N HIS A 80 3.632 -10.203 6.997 1.00 0.00 N ATOM 1239 CA HIS A 80 3.649 -9.393 8.214 1.00 0.00 C ATOM 1240 C HIS A 80 4.710 -8.308 8.047 1.00 0.00 C ATOM 1241 O HIS A 80 4.425 -7.218 7.556 1.00 0.00 O ATOM 1242 CB HIS A 80 3.971 -10.289 9.426 1.00 0.00 C ATOM 1243 CG HIS A 80 3.493 -9.767 10.747 1.00 0.00 C ATOM 1244 ND1 HIS A 80 4.313 -9.125 11.650 1.00 0.00 N ATOM 1245 CD2 HIS A 80 2.274 -9.836 11.334 1.00 0.00 C ATOM 1246 CE1 HIS A 80 3.619 -8.822 12.733 1.00 0.00 C ATOM 1247 NE2 HIS A 80 2.379 -9.243 12.567 1.00 0.00 N ATOM 0 H HIS A 80 4.344 -9.943 6.314 1.00 0.00 H new ATOM 0 HA HIS A 80 2.677 -8.930 8.383 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.529 -11.271 9.260 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.051 -10.430 9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.384 -10.276 10.910 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.002 -8.315 13.607 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.623 -9.144 13.244 1.00 0.00 H new ATOM 1256 N MET A 81 5.938 -8.635 8.449 1.00 0.00 N ATOM 1257 CA MET A 81 7.132 -7.891 8.049 1.00 0.00 C ATOM 1258 C MET A 81 7.233 -6.467 8.625 1.00 0.00 C ATOM 1259 O MET A 81 6.292 -5.936 9.220 1.00 0.00 O ATOM 1260 CB MET A 81 7.245 -7.877 6.516 1.00 0.00 C ATOM 1261 CG MET A 81 7.849 -9.161 5.983 1.00 0.00 C ATOM 1262 SD MET A 81 8.408 -9.053 4.272 1.00 0.00 S ATOM 1263 CE MET A 81 9.790 -7.923 4.425 1.00 0.00 C ATOM 0 H MET A 81 6.133 -9.426 9.063 1.00 0.00 H new ATOM 0 HA MET A 81 7.978 -8.422 8.486 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.256 -7.732 6.080 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.857 -7.031 6.205 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.693 -9.443 6.613 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.111 -9.959 6.064 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.334 -7.884 3.481 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.421 -6.928 4.673 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.457 -8.269 5.214 1.00 0.00 H new ATOM 1273 N PRO A 82 8.449 -5.885 8.473 1.00 0.00 N ATOM 1274 CA PRO A 82 8.874 -4.537 8.909 1.00 0.00 C ATOM 1275 C PRO A 82 7.930 -3.364 8.637 1.00 0.00 C ATOM 1276 O PRO A 82 8.326 -2.257 8.901 1.00 0.00 O ATOM 1277 CB PRO A 82 10.205 -4.290 8.178 1.00 0.00 C ATOM 1278 CG PRO A 82 10.363 -5.424 7.237 1.00 0.00 C ATOM 1279 CD PRO A 82 9.595 -6.555 7.834 1.00 0.00 C ATOM 0 HA PRO A 82 8.919 -4.555 9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.189 -3.339 7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.036 -4.247 8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.980 -5.169 6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.414 -5.686 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.272 -7.268 7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.192 -7.109 8.558 1.00 0.00 H new ATOM 1287 N ALA A 83 6.735 -3.600 8.097 1.00 0.00 N ATOM 1288 CA ALA A 83 6.012 -2.667 7.203 1.00 0.00 C ATOM 1289 C ALA A 83 6.157 -1.153 7.457 1.00 0.00 C ATOM 1290 O ALA A 83 6.009 -0.386 6.506 1.00 0.00 O ATOM 1291 CB ALA A 83 4.529 -3.013 7.180 1.00 0.00 C ATOM 0 H ALA A 83 6.221 -4.465 8.267 1.00 0.00 H new ATOM 0 HA ALA A 83 6.509 -2.825 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.004 -2.322 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.399 -4.032 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.121 -2.933 8.188 1.00 0.00 H new ATOM 1297 N MET A 84 6.432 -0.699 8.670 1.00 0.00 N ATOM 1298 CA MET A 84 6.852 0.694 8.852 1.00 0.00 C ATOM 1299 C MET A 84 8.059 0.995 7.948 1.00 0.00 C ATOM 1300 O MET A 84 8.109 2.009 7.244 1.00 0.00 O ATOM 1301 CB MET A 84 7.175 0.991 10.332 1.00 0.00 C ATOM 1302 CG MET A 84 8.032 -0.061 11.025 1.00 0.00 C ATOM 1303 SD MET A 84 9.805 0.173 10.778 1.00 0.00 S ATOM 1304 CE MET A 84 10.345 -1.534 10.734 1.00 0.00 C ATOM 0 H MET A 84 6.376 -1.252 9.525 1.00 0.00 H new ATOM 0 HA MET A 84 6.028 1.348 8.565 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.686 1.952 10.391 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.238 1.094 10.880 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.817 -0.046 12.094 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.750 -1.047 10.657 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.376 -1.598 11.081 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.706 -2.135 11.382 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.282 -1.909 9.713 1.00 0.00 H new ATOM 1314 N LYS A 85 8.988 0.052 7.914 1.00 0.00 N ATOM 1315 CA LYS A 85 10.206 0.170 7.131 1.00 0.00 C ATOM 1316 C LYS A 85 9.910 0.058 5.645 1.00 0.00 C ATOM 1317 O LYS A 85 10.715 0.457 4.815 1.00 0.00 O ATOM 1318 CB LYS A 85 11.196 -0.918 7.546 1.00 0.00 C ATOM 1319 CG LYS A 85 12.508 -0.896 6.783 1.00 0.00 C ATOM 1320 CD LYS A 85 13.491 -1.911 7.340 1.00 0.00 C ATOM 1321 CE LYS A 85 13.779 -1.654 8.809 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.312 -0.283 9.046 1.00 0.00 N ATOM 0 H LYS A 85 8.916 -0.823 8.433 1.00 0.00 H new ATOM 0 HA LYS A 85 10.642 1.151 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.407 -0.814 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.726 -1.892 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.322 -1.108 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.944 0.102 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.088 -2.916 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.421 -1.869 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.865 -1.791 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.498 -2.389 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.636 -0.202 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.110 -0.105 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.562 0.416 8.870 1.00 0.00 H new ATOM 1336 N ILE A 86 8.749 -0.470 5.307 1.00 0.00 N ATOM 1337 CA ILE A 86 8.380 -0.635 3.913 1.00 0.00 C ATOM 1338 C ILE A 86 8.239 0.729 3.233 1.00 0.00 C ATOM 1339 O ILE A 86 8.456 0.855 2.026 1.00 0.00 O ATOM 1340 CB ILE A 86 7.102 -1.498 3.768 1.00 0.00 C ATOM 1341 CG1 ILE A 86 7.444 -2.959 4.095 1.00 0.00 C ATOM 1342 CG2 ILE A 86 6.506 -1.390 2.368 1.00 0.00 C ATOM 1343 CD1 ILE A 86 6.244 -3.883 4.155 1.00 0.00 C ATOM 0 H ILE A 86 8.048 -0.791 5.975 1.00 0.00 H new ATOM 0 HA ILE A 86 9.179 -1.174 3.404 1.00 0.00 H new ATOM 0 HB ILE A 86 6.351 -1.128 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.139 -3.334 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.962 -2.993 5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.611 -2.009 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.244 -0.352 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.236 -1.732 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.575 -4.894 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.556 -3.537 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.736 -3.883 3.190 1.00 0.00 H new ATOM 1355 N CYS A 87 7.945 1.770 4.013 1.00 0.00 N ATOM 1356 CA CYS A 87 7.940 3.118 3.457 1.00 0.00 C ATOM 1357 C CYS A 87 9.363 3.640 3.375 1.00 0.00 C ATOM 1358 O CYS A 87 9.702 4.401 2.474 1.00 0.00 O ATOM 1359 CB CYS A 87 7.056 4.077 4.264 1.00 0.00 C ATOM 1360 SG CYS A 87 7.023 5.786 3.611 1.00 0.00 S ATOM 0 H CYS A 87 7.714 1.708 5.004 1.00 0.00 H new ATOM 0 HA CYS A 87 7.512 3.066 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.038 3.687 4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.409 4.100 5.295 1.00 0.00 H new ATOM 1365 N GLU A 88 10.204 3.190 4.297 1.00 0.00 N ATOM 1366 CA GLU A 88 11.618 3.523 4.270 1.00 0.00 C ATOM 1367 C GLU A 88 12.249 2.899 3.035 1.00 0.00 C ATOM 1368 O GLU A 88 13.087 3.502 2.365 1.00 0.00 O ATOM 1369 CB GLU A 88 12.306 2.972 5.509 1.00 0.00 C ATOM 1370 CG GLU A 88 11.799 3.538 6.823 1.00 0.00 C ATOM 1371 CD GLU A 88 12.678 3.138 7.992 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.884 1.922 8.205 1.00 0.00 O ATOM 1373 OE2 GLU A 88 13.204 4.040 8.675 1.00 0.00 O ATOM 0 H GLU A 88 9.928 2.591 5.075 1.00 0.00 H new ATOM 0 HA GLU A 88 11.732 4.607 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.183 1.889 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.375 3.170 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.757 4.625 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.781 3.189 6.999 1.00 0.00 H new ATOM 1380 N LYS A 89 11.823 1.671 2.766 1.00 0.00 N ATOM 1381 CA LYS A 89 12.242 0.921 1.598 1.00 0.00 C ATOM 1382 C LYS A 89 11.896 1.699 0.336 1.00 0.00 C ATOM 1383 O LYS A 89 12.724 1.871 -0.554 1.00 0.00 O ATOM 1384 CB LYS A 89 11.529 -0.430 1.583 1.00 0.00 C ATOM 1385 CG LYS A 89 12.278 -1.504 0.826 1.00 0.00 C ATOM 1386 CD LYS A 89 13.423 -2.076 1.648 1.00 0.00 C ATOM 1387 CE LYS A 89 12.926 -2.928 2.812 1.00 0.00 C ATOM 1388 NZ LYS A 89 14.057 -3.497 3.590 1.00 0.00 N ATOM 0 H LYS A 89 11.169 1.165 3.363 1.00 0.00 H new ATOM 0 HA LYS A 89 13.320 0.763 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.376 -0.761 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.542 -0.305 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.590 -2.304 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.669 -1.089 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.063 -2.680 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.035 -1.260 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.300 -2.322 3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.301 -3.736 2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.685 -4.071 4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.639 -4.095 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.639 -2.724 3.972 1.00 0.00 H new ATOM 1402 N LEU A 90 10.665 2.186 0.287 1.00 0.00 N ATOM 1403 CA LEU A 90 10.182 2.959 -0.848 1.00 0.00 C ATOM 1404 C LEU A 90 10.914 4.285 -0.989 1.00 0.00 C ATOM 1405 O LEU A 90 10.997 4.842 -2.085 1.00 0.00 O ATOM 1406 CB LEU A 90 8.681 3.205 -0.715 1.00 0.00 C ATOM 1407 CG LEU A 90 7.809 2.081 -1.261 1.00 0.00 C ATOM 1408 CD1 LEU A 90 6.343 2.348 -0.964 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.037 1.944 -2.756 1.00 0.00 C ATOM 0 H LEU A 90 9.976 2.058 1.028 1.00 0.00 H new ATOM 0 HA LEU A 90 10.380 2.376 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.442 3.356 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.429 4.129 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 90 8.084 1.147 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.737 1.534 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.197 2.416 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.042 3.286 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.413 1.140 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.776 2.879 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.086 1.714 -2.945 1.00 0.00 H new ATOM 1421 N LYS A 91 11.463 4.786 0.110 1.00 0.00 N ATOM 1422 CA LYS A 91 12.134 6.073 0.083 1.00 0.00 C ATOM 1423 C LYS A 91 13.441 6.014 -0.696 1.00 0.00 C ATOM 1424 O LYS A 91 13.994 7.051 -1.052 1.00 0.00 O ATOM 1425 CB LYS A 91 12.399 6.619 1.488 1.00 0.00 C ATOM 1426 CG LYS A 91 11.142 7.010 2.246 1.00 0.00 C ATOM 1427 CD LYS A 91 11.463 7.922 3.419 1.00 0.00 C ATOM 1428 CE LYS A 91 11.922 9.291 2.941 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.233 10.204 4.070 1.00 0.00 N ATOM 0 H LYS A 91 11.456 4.325 1.020 1.00 0.00 H new ATOM 0 HA LYS A 91 11.452 6.754 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.939 5.867 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.050 7.490 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.450 7.513 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.639 6.113 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.581 8.031 4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.241 7.469 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.806 9.177 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.145 9.736 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.886 10.946 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.355 10.642 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.677 9.665 4.841 1.00 0.00 H new ATOM 1443 N LYS A 92 13.942 4.811 -0.965 1.00 0.00 N ATOM 1444 CA LYS A 92 15.143 4.683 -1.780 1.00 0.00 C ATOM 1445 C LYS A 92 14.798 4.964 -3.238 1.00 0.00 C ATOM 1446 O LYS A 92 15.657 5.331 -4.037 1.00 0.00 O ATOM 1447 CB LYS A 92 15.778 3.299 -1.646 1.00 0.00 C ATOM 1448 CG LYS A 92 15.077 2.216 -2.442 1.00 0.00 C ATOM 1449 CD LYS A 92 16.026 1.079 -2.745 1.00 0.00 C ATOM 1450 CE LYS A 92 15.419 0.102 -3.736 1.00 0.00 C ATOM 1451 NZ LYS A 92 16.399 -0.918 -4.178 1.00 0.00 N ATOM 0 H LYS A 92 13.545 3.930 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 92 15.873 5.410 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.818 3.356 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.785 3.015 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.220 1.842 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.692 2.633 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.957 1.477 -3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.276 0.556 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.562 -0.392 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.048 0.648 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.945 -1.565 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.206 -0.449 -4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.735 -1.457 -3.354 1.00 0.00 H new ATOM 1465 N LEU A 93 13.525 4.796 -3.571 1.00 0.00 N ATOM 1466 CA LEU A 93 13.044 5.060 -4.915 1.00 0.00 C ATOM 1467 C LEU A 93 12.646 6.523 -5.045 1.00 0.00 C ATOM 1468 O LEU A 93 13.010 7.194 -6.011 1.00 0.00 O ATOM 1469 CB LEU A 93 11.857 4.152 -5.245 1.00 0.00 C ATOM 1470 CG LEU A 93 12.173 2.656 -5.248 1.00 0.00 C ATOM 1471 CD1 LEU A 93 10.901 1.842 -5.423 1.00 0.00 C ATOM 1472 CD2 LEU A 93 13.171 2.325 -6.347 1.00 0.00 C ATOM 0 H LEU A 93 12.806 4.476 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 93 13.845 4.849 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.063 4.339 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.468 4.428 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 93 12.618 2.397 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.146 0.780 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.216 2.057 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.428 2.105 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.385 1.256 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.751 2.600 -7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.093 2.881 -6.180 1.00 0.00 H new ATOM 1484 N ASP A 94 11.913 7.015 -4.058 1.00 0.00 N ATOM 1485 CA ASP A 94 11.489 8.407 -4.039 1.00 0.00 C ATOM 1486 C ASP A 94 11.532 8.937 -2.612 1.00 0.00 C ATOM 1487 O ASP A 94 11.160 8.241 -1.677 1.00 0.00 O ATOM 1488 CB ASP A 94 10.077 8.545 -4.609 1.00 0.00 C ATOM 1489 CG ASP A 94 9.743 9.978 -4.954 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.457 10.770 -4.035 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.800 10.329 -6.151 1.00 0.00 O ATOM 0 H ASP A 94 11.598 6.468 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 94 12.169 8.991 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.984 7.926 -5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.355 8.169 -3.884 1.00 0.00 H new ATOM 1496 N SER A 95 12.016 10.155 -2.444 1.00 0.00 N ATOM 1497 CA SER A 95 12.187 10.727 -1.116 1.00 0.00 C ATOM 1498 C SER A 95 10.914 11.422 -0.619 1.00 0.00 C ATOM 1499 O SER A 95 10.665 11.492 0.586 1.00 0.00 O ATOM 1500 CB SER A 95 13.364 11.700 -1.131 1.00 0.00 C ATOM 1501 OG SER A 95 14.541 11.051 -1.600 1.00 0.00 O ATOM 0 H SER A 95 12.298 10.768 -3.209 1.00 0.00 H new ATOM 0 HA SER A 95 12.393 9.914 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.132 12.551 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.533 12.092 -0.128 1.00 0.00 H new ATOM 0 HG SER A 95 15.286 11.688 -1.605 1.00 0.00 H new ATOM 1507 N GLN A 96 10.107 11.919 -1.549 1.00 0.00 N ATOM 1508 CA GLN A 96 8.915 12.693 -1.211 1.00 0.00 C ATOM 1509 C GLN A 96 7.721 11.773 -0.957 1.00 0.00 C ATOM 1510 O GLN A 96 6.704 12.189 -0.400 1.00 0.00 O ATOM 1511 CB GLN A 96 8.601 13.675 -2.345 1.00 0.00 C ATOM 1512 CG GLN A 96 7.476 14.649 -2.032 1.00 0.00 C ATOM 1513 CD GLN A 96 7.223 15.626 -3.162 1.00 0.00 C ATOM 1514 OE1 GLN A 96 8.133 15.978 -3.914 1.00 0.00 O ATOM 1515 NE2 GLN A 96 5.987 16.080 -3.288 1.00 0.00 N ATOM 0 H GLN A 96 10.257 11.799 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 96 9.108 13.251 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.502 14.241 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.338 13.109 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.563 14.090 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.721 15.202 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.260 15.765 -2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.761 16.745 -4.028 1.00 0.00 H new ATOM 1524 N ILE A 97 7.871 10.519 -1.361 1.00 0.00 N ATOM 1525 CA ILE A 97 6.802 9.521 -1.286 1.00 0.00 C ATOM 1526 C ILE A 97 6.223 9.366 0.123 1.00 0.00 C ATOM 1527 O ILE A 97 5.061 9.001 0.283 1.00 0.00 O ATOM 1528 CB ILE A 97 7.317 8.143 -1.767 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.187 7.118 -1.828 1.00 0.00 C ATOM 1530 CG2 ILE A 97 8.419 7.634 -0.850 1.00 0.00 C ATOM 1531 CD1 ILE A 97 6.607 5.812 -2.458 1.00 0.00 C ATOM 0 H ILE A 97 8.741 10.159 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 97 6.005 9.882 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 97 7.718 8.276 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.822 6.927 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.355 7.537 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.768 6.664 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.249 8.341 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.031 7.532 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.760 5.126 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.945 5.992 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.420 5.373 -1.879 1.00 0.00 H new ATOM 1543 N CYS A 98 7.019 9.653 1.141 1.00 0.00 N ATOM 1544 CA CYS A 98 6.623 9.327 2.499 1.00 0.00 C ATOM 1545 C CYS A 98 5.755 10.411 3.129 1.00 0.00 C ATOM 1546 O CYS A 98 4.804 10.100 3.853 1.00 0.00 O ATOM 1547 CB CYS A 98 7.852 9.071 3.377 1.00 0.00 C ATOM 1548 SG CYS A 98 8.793 10.566 3.828 1.00 0.00 S ATOM 0 H CYS A 98 7.930 10.104 1.054 1.00 0.00 H new ATOM 0 HA CYS A 98 6.025 8.418 2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 98 7.531 8.571 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.517 8.383 2.855 1.00 0.00 H new ATOM 1553 N GLU A 99 6.070 11.678 2.866 1.00 0.00 N ATOM 1554 CA GLU A 99 5.427 12.763 3.591 1.00 0.00 C ATOM 1555 C GLU A 99 4.034 13.071 3.048 1.00 0.00 C ATOM 1556 O GLU A 99 3.089 12.376 3.393 1.00 0.00 O ATOM 1557 CB GLU A 99 6.309 14.019 3.643 1.00 0.00 C ATOM 1558 CG GLU A 99 6.923 14.426 2.316 1.00 0.00 C ATOM 1559 CD GLU A 99 7.668 15.740 2.419 1.00 0.00 C ATOM 1560 OE1 GLU A 99 7.012 16.803 2.360 1.00 0.00 O ATOM 1561 OE2 GLU A 99 8.904 15.720 2.572 1.00 0.00 O ATOM 0 H GLU A 99 6.754 11.972 2.169 1.00 0.00 H new ATOM 0 HA GLU A 99 5.297 12.420 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.711 14.849 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.111 13.852 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.606 13.647 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.139 14.511 1.564 1.00 0.00 H new ATOM 1568 N LEU A 100 3.908 14.092 2.200 1.00 0.00 N ATOM 1569 CA LEU A 100 2.598 14.542 1.725 1.00 0.00 C ATOM 1570 C LEU A 100 1.678 14.837 2.907 1.00 0.00 C ATOM 1571 O LEU A 100 0.502 14.483 2.887 1.00 0.00 O ATOM 1572 CB LEU A 100 1.945 13.491 0.821 1.00 0.00 C ATOM 1573 CG LEU A 100 2.646 13.222 -0.508 1.00 0.00 C ATOM 1574 CD1 LEU A 100 1.943 12.102 -1.248 1.00 0.00 C ATOM 1575 CD2 LEU A 100 2.673 14.471 -1.369 1.00 0.00 C ATOM 0 H LEU A 100 4.696 14.623 1.828 1.00 0.00 H new ATOM 0 HA LEU A 100 2.751 15.453 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.884 12.553 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.922 13.805 0.612 1.00 0.00 H new ATOM 0 HG LEU A 100 3.674 12.926 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.450 11.917 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.964 11.196 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.908 12.386 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.178 14.253 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.652 14.796 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.208 15.263 -0.845 1.00 0.00 H new ATOM 1587 N LYS A 101 2.232 15.485 3.931 1.00 0.00 N ATOM 1588 CA LYS A 101 1.517 15.730 5.186 1.00 0.00 C ATOM 1589 C LYS A 101 0.136 16.329 4.936 1.00 0.00 C ATOM 1590 O LYS A 101 -0.010 17.247 4.124 1.00 0.00 O ATOM 1591 CB LYS A 101 2.332 16.665 6.076 1.00 0.00 C ATOM 1592 CG LYS A 101 3.642 16.066 6.547 1.00 0.00 C ATOM 1593 CD LYS A 101 3.411 14.773 7.310 1.00 0.00 C ATOM 1594 CE LYS A 101 4.711 14.193 7.829 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.346 15.065 8.853 1.00 0.00 N ATOM 0 H LYS A 101 3.183 15.853 3.916 1.00 0.00 H new ATOM 0 HA LYS A 101 1.383 14.771 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.539 17.585 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.734 16.938 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.287 15.875 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.163 16.780 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.735 14.958 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.922 14.048 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.522 13.209 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.401 14.050 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.275 15.384 8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.740 15.891 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.468 14.530 9.737 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.870 15.809 5.631 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.244 16.257 5.439 1.00 0.00 C ATOM 1611 C TYR A 102 -2.379 17.732 5.789 1.00 0.00 C ATOM 1612 O TYR A 102 -2.595 18.578 4.919 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.212 15.455 6.316 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.157 13.957 6.125 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.713 13.356 5.003 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.573 13.141 7.085 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.688 11.984 4.846 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.539 11.769 6.932 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.099 11.197 5.812 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.082 9.828 5.664 1.00 0.00 O ATOM 0 H TYR A 102 -0.759 15.077 6.332 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.494 16.101 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.003 15.681 7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.228 15.795 6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.172 13.970 4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.138 13.587 7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.128 11.530 3.970 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.076 11.149 7.686 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.939 9.528 5.296 1.00 0.00 H new ATOM 1630 N GLU A 103 -2.232 18.025 7.069 1.00 0.00 N ATOM 1631 CA GLU A 103 -2.393 19.376 7.584 1.00 0.00 C ATOM 1632 C GLU A 103 -1.065 19.860 8.148 1.00 0.00 C ATOM 1633 O GLU A 103 -0.977 20.268 9.306 1.00 0.00 O ATOM 1634 CB GLU A 103 -3.477 19.375 8.662 1.00 0.00 C ATOM 1635 CG GLU A 103 -4.834 18.929 8.140 1.00 0.00 C ATOM 1636 CD GLU A 103 -5.741 18.395 9.227 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -6.063 19.148 10.167 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -6.142 17.213 9.139 1.00 0.00 O ATOM 0 H GLU A 103 -1.998 17.334 7.782 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.697 20.053 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.172 18.716 9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.566 20.378 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.322 19.771 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.690 18.158 7.383 1.00 0.00 H new ATOM 1645 N LYS A 104 -0.030 19.781 7.302 1.00 0.00 N ATOM 1646 CA LYS A 104 1.364 19.987 7.711 1.00 0.00 C ATOM 1647 C LYS A 104 1.799 18.832 8.615 1.00 0.00 C ATOM 1648 O LYS A 104 2.924 18.786 9.110 1.00 0.00 O ATOM 1649 CB LYS A 104 1.551 21.333 8.427 1.00 0.00 C ATOM 1650 CG LYS A 104 2.740 22.160 7.938 1.00 0.00 C ATOM 1651 CD LYS A 104 4.072 21.442 8.119 1.00 0.00 C ATOM 1652 CE LYS A 104 4.598 20.881 6.805 1.00 0.00 C ATOM 1653 NZ LYS A 104 5.894 20.174 6.980 1.00 0.00 N ATOM 0 H LYS A 104 -0.137 19.571 6.310 1.00 0.00 H new ATOM 0 HA LYS A 104 1.988 20.009 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.642 21.922 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.670 21.147 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.602 22.399 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.766 23.106 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.803 22.134 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.953 20.631 8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.864 20.194 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.722 21.693 6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.216 19.808 6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.602 20.836 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.771 19.383 7.644 1.00 0.00 H new ATOM 1667 N THR A 105 0.892 17.887 8.789 1.00 0.00 N ATOM 1668 CA THR A 105 1.099 16.738 9.638 1.00 0.00 C ATOM 1669 C THR A 105 0.161 15.622 9.176 1.00 0.00 C ATOM 1670 O THR A 105 0.585 14.451 9.141 1.00 0.00 O ATOM 1671 CB THR A 105 0.855 17.097 11.129 1.00 0.00 C ATOM 1672 OG1 THR A 105 1.237 16.011 11.987 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.602 17.461 11.386 1.00 0.00 C ATOM 1674 OXT THR A 105 -0.984 15.945 8.769 1.00 0.00 O ATOM 0 H THR A 105 -0.021 17.901 8.335 1.00 0.00 H new ATOM 0 HA THR A 105 2.133 16.402 9.559 1.00 0.00 H new ATOM 0 HB THR A 105 1.474 17.966 11.354 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.076 16.260 12.921 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.735 17.706 12.440 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.875 18.322 10.776 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.239 16.616 11.127 1.00 0.00 H new TER 1682 THR A 105