USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 696 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 71 THR OG1 : rot 64:sc= 0.97 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= -0.0165 USER MOD Set 2.1: A 72 CYS SG : rot 180:sc= -1.21 USER MOD Set 2.2: A 75 CYS SG : rot 180:sc= -0.596 USER MOD Set 2.3: A 88 HIS : no HD1:sc= -0.291 K(o=-4.5,f=-10!) USER MOD Set 2.4: A 89 GLN : amide:sc= -0.549 K(o=-4.5,f=-3.6) USER MOD Set 2.5: A 93 HIS : no HD1:sc= -1.82 K(o=-4.5,f=-3.2) USER MOD Set 3.1: A 45 CYS SG : rot 180:sc= -0.987 USER MOD Set 3.2: A 48 CYS SG : rot -49:sc= -4.44! USER MOD Set 3.3: A 61 HIS : no HD1:sc= -0.0787 K(o=-5.8,f=-13!) USER MOD Set 3.4: A 65 CYS SG : rot 49:sc= -0.303 USER MOD Set 4.1: A 19 CYS SG : rot 70:sc= -2.35 USER MOD Set 4.2: A 22 CYS SG : rot -42:sc= 0.235 USER MOD Set 4.3: A 35 HIS : no HD1:sc= -0.95 K(o=-4.4,f=-3.3) USER MOD Set 4.4: A 39 CYS SG : rot -39:sc= -1.28 USER MOD Set 5.1: A 18 GLN : amide:sc= 0.12 X(o=0.24,f=0) USER MOD Set 5.2: A 25 LYS NZ :NH3+ -169:sc= 0.124 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.114 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 27 SER OG : rot -26:sc= 0.0921 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.3!) USER MOD Single : A 34 SER OG : rot -78:sc= 0.0502 USER MOD Single : A 41 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.29) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= 0.313 (180deg=0.119) USER MOD Single : A 59 GLN : amide:sc= -0.0873 K(o=-0.087,f=-1.7!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= -1.38! (180deg=-3.29!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0357) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -156:sc= -1.08 (180deg=-1.89) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 161:sc= -0.62 USER MOD Single : A 94 ASN : amide:sc= -1.39! C(o=-1.4!,f=-1.1!) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 96 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 5.300 -14.148 8.138 1.00 0.00 N ATOM 9 CA SER A 2 5.149 -15.188 7.127 1.00 0.00 C ATOM 10 C SER A 2 3.709 -15.692 7.077 1.00 0.00 C ATOM 11 O SER A 2 3.317 -16.561 7.856 1.00 0.00 O ATOM 12 CB SER A 2 6.099 -16.352 7.416 1.00 0.00 C ATOM 13 OG SER A 2 7.407 -16.070 6.950 1.00 0.00 O ATOM 0 HA SER A 2 5.399 -14.757 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.126 -16.546 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.726 -17.257 6.937 1.00 0.00 H new ATOM 0 HG SER A 2 7.995 -16.828 7.148 1.00 0.00 H new ATOM 19 N SER A 3 2.927 -15.139 6.156 1.00 0.00 N ATOM 20 CA SER A 3 1.530 -15.529 6.006 1.00 0.00 C ATOM 21 C SER A 3 1.108 -15.485 4.540 1.00 0.00 C ATOM 22 O SER A 3 1.806 -14.922 3.698 1.00 0.00 O ATOM 23 CB SER A 3 0.630 -14.610 6.835 1.00 0.00 C ATOM 24 OG SER A 3 0.845 -14.801 8.222 1.00 0.00 O ATOM 0 H SER A 3 3.237 -14.420 5.503 1.00 0.00 H new ATOM 0 HA SER A 3 1.423 -16.552 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.827 -13.570 6.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.415 -14.807 6.595 1.00 0.00 H new ATOM 0 HG SER A 3 0.259 -14.201 8.729 1.00 0.00 H new ATOM 30 N GLY A 4 -0.041 -16.085 4.243 1.00 0.00 N ATOM 31 CA GLY A 4 -0.537 -16.104 2.880 1.00 0.00 C ATOM 32 C GLY A 4 -1.363 -17.339 2.581 1.00 0.00 C ATOM 33 O GLY A 4 -0.818 -18.421 2.362 1.00 0.00 O ATOM 0 H GLY A 4 -0.637 -16.558 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.142 -15.215 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.305 -16.058 2.189 1.00 0.00 H new ATOM 37 N SER A 5 -2.683 -17.179 2.572 1.00 0.00 N ATOM 38 CA SER A 5 -3.586 -18.291 2.303 1.00 0.00 C ATOM 39 C SER A 5 -4.889 -17.796 1.683 1.00 0.00 C ATOM 40 O SER A 5 -5.617 -17.008 2.287 1.00 0.00 O ATOM 41 CB SER A 5 -3.882 -19.059 3.593 1.00 0.00 C ATOM 42 OG SER A 5 -4.429 -20.336 3.312 1.00 0.00 O ATOM 0 H SER A 5 -3.150 -16.290 2.748 1.00 0.00 H new ATOM 0 HA SER A 5 -3.097 -18.959 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.965 -19.172 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.578 -18.489 4.208 1.00 0.00 H new ATOM 0 HG SER A 5 -4.608 -20.807 4.152 1.00 0.00 H new ATOM 48 N SER A 6 -5.176 -18.263 0.472 1.00 0.00 N ATOM 49 CA SER A 6 -6.389 -17.866 -0.233 1.00 0.00 C ATOM 50 C SER A 6 -7.416 -18.994 -0.227 1.00 0.00 C ATOM 51 O SER A 6 -7.097 -20.137 0.099 1.00 0.00 O ATOM 52 CB SER A 6 -6.060 -17.468 -1.673 1.00 0.00 C ATOM 53 OG SER A 6 -7.204 -16.957 -2.335 1.00 0.00 O ATOM 0 H SER A 6 -4.585 -18.917 -0.041 1.00 0.00 H new ATOM 0 HA SER A 6 -6.816 -17.008 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.270 -16.717 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.679 -18.334 -2.215 1.00 0.00 H new ATOM 0 HG SER A 6 -6.967 -16.708 -3.253 1.00 0.00 H new ATOM 59 N GLY A 7 -8.652 -18.663 -0.590 1.00 0.00 N ATOM 60 CA GLY A 7 -9.708 -19.659 -0.619 1.00 0.00 C ATOM 61 C GLY A 7 -10.649 -19.471 -1.793 1.00 0.00 C ATOM 62 O GLY A 7 -11.865 -19.413 -1.618 1.00 0.00 O ATOM 0 H GLY A 7 -8.941 -17.724 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.264 -20.653 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.276 -19.609 0.310 1.00 0.00 H new ATOM 66 N ALA A 8 -10.084 -19.373 -2.992 1.00 0.00 N ATOM 67 CA ALA A 8 -10.881 -19.191 -4.199 1.00 0.00 C ATOM 68 C ALA A 8 -11.263 -20.533 -4.812 1.00 0.00 C ATOM 69 O ALA A 8 -10.695 -21.569 -4.466 1.00 0.00 O ATOM 70 CB ALA A 8 -10.122 -18.343 -5.209 1.00 0.00 C ATOM 0 H ALA A 8 -9.078 -19.417 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.800 -18.673 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.729 -18.215 -6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.906 -17.367 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.187 -18.839 -5.471 1.00 0.00 H new ATOM 76 N SER A 9 -12.230 -20.508 -5.725 1.00 0.00 N ATOM 77 CA SER A 9 -12.691 -21.725 -6.383 1.00 0.00 C ATOM 78 C SER A 9 -13.687 -21.398 -7.491 1.00 0.00 C ATOM 79 O SER A 9 -14.606 -20.597 -7.319 1.00 0.00 O ATOM 80 CB SER A 9 -13.334 -22.669 -5.365 1.00 0.00 C ATOM 81 OG SER A 9 -14.522 -22.110 -4.831 1.00 0.00 O ATOM 0 H SER A 9 -12.709 -19.659 -6.025 1.00 0.00 H new ATOM 0 HA SER A 9 -11.827 -22.218 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.559 -23.623 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.630 -22.873 -4.558 1.00 0.00 H new ATOM 0 HG SER A 9 -14.915 -22.733 -4.184 1.00 0.00 H new ATOM 87 N PRO A 10 -13.502 -22.034 -8.658 1.00 0.00 N ATOM 88 CA PRO A 10 -14.375 -21.828 -9.818 1.00 0.00 C ATOM 89 C PRO A 10 -15.767 -22.414 -9.608 1.00 0.00 C ATOM 90 O PRO A 10 -15.911 -23.571 -9.213 1.00 0.00 O ATOM 91 CB PRO A 10 -13.648 -22.568 -10.944 1.00 0.00 C ATOM 92 CG PRO A 10 -12.833 -23.605 -10.251 1.00 0.00 C ATOM 93 CD PRO A 10 -12.428 -23.002 -8.935 1.00 0.00 C ATOM 0 HA PRO A 10 -14.540 -20.770 -10.021 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.354 -23.020 -11.641 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.019 -21.891 -11.521 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.409 -24.518 -10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.958 -23.874 -10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.356 -23.757 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.455 -22.515 -8.999 1.00 0.00 H new ATOM 101 N VAL A 11 -16.789 -21.607 -9.874 1.00 0.00 N ATOM 102 CA VAL A 11 -18.171 -22.046 -9.716 1.00 0.00 C ATOM 103 C VAL A 11 -19.132 -21.107 -10.434 1.00 0.00 C ATOM 104 O VAL A 11 -19.138 -19.901 -10.187 1.00 0.00 O ATOM 105 CB VAL A 11 -18.566 -22.129 -8.229 1.00 0.00 C ATOM 106 CG1 VAL A 11 -18.204 -20.840 -7.508 1.00 0.00 C ATOM 107 CG2 VAL A 11 -20.051 -22.430 -8.089 1.00 0.00 C ATOM 0 H VAL A 11 -16.686 -20.646 -10.200 1.00 0.00 H new ATOM 0 HA VAL A 11 -18.240 -23.039 -10.159 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.008 -22.944 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.490 -20.917 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -17.129 -20.673 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -18.733 -20.005 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.313 -22.485 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.629 -21.638 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -20.276 -23.382 -8.569 1.00 0.00 H new ATOM 117 N GLU A 12 -19.944 -21.667 -11.325 1.00 0.00 N ATOM 118 CA GLU A 12 -20.910 -20.878 -12.080 1.00 0.00 C ATOM 119 C GLU A 12 -21.773 -20.034 -11.145 1.00 0.00 C ATOM 120 O GLU A 12 -22.120 -20.465 -10.047 1.00 0.00 O ATOM 121 CB GLU A 12 -21.799 -21.792 -12.925 1.00 0.00 C ATOM 122 CG GLU A 12 -22.801 -22.591 -12.109 1.00 0.00 C ATOM 123 CD GLU A 12 -22.177 -23.800 -11.440 1.00 0.00 C ATOM 124 OE1 GLU A 12 -21.925 -24.802 -12.143 1.00 0.00 O ATOM 125 OE2 GLU A 12 -21.940 -23.745 -10.216 1.00 0.00 O ATOM 0 H GLU A 12 -19.952 -22.664 -11.542 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.358 -20.209 -12.740 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.337 -21.187 -13.655 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.168 -22.481 -13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -23.241 -21.946 -11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -23.613 -22.918 -12.758 1.00 0.00 H new ATOM 199 N TYR A 17 -20.343 -8.257 -11.530 1.00 0.00 N ATOM 200 CA TYR A 17 -19.172 -7.443 -11.833 1.00 0.00 C ATOM 201 C TYR A 17 -18.254 -7.337 -10.619 1.00 0.00 C ATOM 202 O TYR A 17 -18.492 -6.537 -9.715 1.00 0.00 O ATOM 203 CB TYR A 17 -19.599 -6.046 -12.287 1.00 0.00 C ATOM 204 CG TYR A 17 -20.657 -6.058 -13.368 1.00 0.00 C ATOM 205 CD1 TYR A 17 -20.625 -7.000 -14.388 1.00 0.00 C ATOM 206 CD2 TYR A 17 -21.688 -5.127 -13.368 1.00 0.00 C ATOM 207 CE1 TYR A 17 -21.589 -7.014 -15.378 1.00 0.00 C ATOM 208 CE2 TYR A 17 -22.657 -5.134 -14.352 1.00 0.00 C ATOM 209 CZ TYR A 17 -22.603 -6.079 -15.355 1.00 0.00 C ATOM 210 OH TYR A 17 -23.565 -6.090 -16.339 1.00 0.00 O ATOM 0 HA TYR A 17 -18.623 -7.928 -12.640 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -19.976 -5.493 -11.427 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -18.724 -5.509 -12.652 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -19.833 -7.734 -14.408 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.733 -4.385 -12.585 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -21.549 -7.753 -16.165 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -23.452 -4.404 -14.336 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.207 -5.368 -16.177 1.00 0.00 H new ATOM 220 N GLN A 18 -17.202 -8.150 -10.608 1.00 0.00 N ATOM 221 CA GLN A 18 -16.247 -8.148 -9.506 1.00 0.00 C ATOM 222 C GLN A 18 -15.035 -7.283 -9.838 1.00 0.00 C ATOM 223 O GLN A 18 -14.628 -7.184 -10.996 1.00 0.00 O ATOM 224 CB GLN A 18 -15.799 -9.576 -9.190 1.00 0.00 C ATOM 225 CG GLN A 18 -16.621 -10.245 -8.100 1.00 0.00 C ATOM 226 CD GLN A 18 -16.696 -11.750 -8.266 1.00 0.00 C ATOM 227 OE1 GLN A 18 -17.777 -12.314 -8.435 1.00 0.00 O ATOM 228 NE2 GLN A 18 -15.544 -12.408 -8.220 1.00 0.00 N ATOM 0 H GLN A 18 -16.990 -8.818 -11.349 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.741 -7.728 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.859 -10.176 -10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.752 -9.561 -8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.187 -10.012 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.630 -9.832 -8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.671 -11.899 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.531 -13.422 -8.327 1.00 0.00 H new ATOM 237 N CYS A 19 -14.463 -6.658 -8.814 1.00 0.00 N ATOM 238 CA CYS A 19 -13.298 -5.801 -8.996 1.00 0.00 C ATOM 239 C CYS A 19 -12.054 -6.631 -9.300 1.00 0.00 C ATOM 240 O CYS A 19 -11.791 -7.637 -8.642 1.00 0.00 O ATOM 241 CB CYS A 19 -13.064 -4.951 -7.745 1.00 0.00 C ATOM 242 SG CYS A 19 -11.579 -3.899 -7.828 1.00 0.00 S ATOM 0 H CYS A 19 -14.788 -6.729 -7.850 1.00 0.00 H new ATOM 0 HA CYS A 19 -13.491 -5.143 -9.844 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.936 -4.318 -7.581 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.981 -5.610 -6.881 1.00 0.00 H new ATOM 0 HG CYS A 19 -11.769 -2.947 -8.693 1.00 0.00 H new ATOM 247 N ARG A 20 -11.293 -6.200 -10.301 1.00 0.00 N ATOM 248 CA ARG A 20 -10.077 -6.903 -10.693 1.00 0.00 C ATOM 249 C ARG A 20 -8.911 -6.519 -9.788 1.00 0.00 C ATOM 250 O ARG A 20 -7.747 -6.646 -10.170 1.00 0.00 O ATOM 251 CB ARG A 20 -9.730 -6.592 -12.150 1.00 0.00 C ATOM 252 CG ARG A 20 -10.753 -7.116 -13.145 1.00 0.00 C ATOM 253 CD ARG A 20 -10.783 -8.637 -13.163 1.00 0.00 C ATOM 254 NE ARG A 20 -11.153 -9.161 -14.475 1.00 0.00 N ATOM 255 CZ ARG A 20 -10.820 -10.375 -14.902 1.00 0.00 C ATOM 256 NH1 ARG A 20 -10.115 -11.184 -14.124 1.00 0.00 N ATOM 257 NH2 ARG A 20 -11.194 -10.780 -16.108 1.00 0.00 N ATOM 0 H ARG A 20 -11.497 -5.368 -10.855 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.257 -7.973 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.638 -5.513 -12.270 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.756 -7.022 -12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.741 -6.734 -12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.517 -6.744 -14.142 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.803 -9.022 -12.882 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.492 -8.995 -12.417 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.696 -8.563 -15.097 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.827 -10.875 -13.195 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.861 -12.115 -14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.737 -10.160 -16.708 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.938 -11.712 -16.435 1.00 0.00 H new ATOM 271 N LEU A 21 -9.231 -6.048 -8.588 1.00 0.00 N ATOM 272 CA LEU A 21 -8.209 -5.645 -7.627 1.00 0.00 C ATOM 273 C LEU A 21 -8.400 -6.362 -6.295 1.00 0.00 C ATOM 274 O LEU A 21 -7.447 -6.884 -5.716 1.00 0.00 O ATOM 275 CB LEU A 21 -8.251 -4.130 -7.414 1.00 0.00 C ATOM 276 CG LEU A 21 -8.474 -3.282 -8.667 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.726 -1.830 -8.291 1.00 0.00 C ATOM 278 CD2 LEU A 21 -7.280 -3.393 -9.605 1.00 0.00 C ATOM 0 H LEU A 21 -10.189 -5.936 -8.257 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.236 -5.923 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.045 -3.905 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.312 -3.822 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.355 -3.659 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.882 -1.242 -9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.612 -1.766 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.865 -1.440 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.456 -2.783 -10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.383 -3.042 -9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.145 -4.433 -9.901 1.00 0.00 H new ATOM 290 N CYS A 22 -9.639 -6.387 -5.814 1.00 0.00 N ATOM 291 CA CYS A 22 -9.957 -7.042 -4.552 1.00 0.00 C ATOM 292 C CYS A 22 -11.019 -8.120 -4.750 1.00 0.00 C ATOM 293 O CYS A 22 -11.361 -8.848 -3.819 1.00 0.00 O ATOM 294 CB CYS A 22 -10.444 -6.014 -3.528 1.00 0.00 C ATOM 295 SG CYS A 22 -11.841 -4.997 -4.102 1.00 0.00 S ATOM 0 H CYS A 22 -10.439 -5.960 -6.281 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.049 -7.515 -4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -10.738 -6.536 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.614 -5.358 -3.265 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.643 -4.645 -5.338 1.00 0.00 H new ATOM 300 N ASN A 23 -11.536 -8.216 -5.971 1.00 0.00 N ATOM 301 CA ASN A 23 -12.559 -9.204 -6.292 1.00 0.00 C ATOM 302 C ASN A 23 -13.828 -8.958 -5.482 1.00 0.00 C ATOM 303 O ASN A 23 -14.419 -9.889 -4.937 1.00 0.00 O ATOM 304 CB ASN A 23 -12.035 -10.617 -6.024 1.00 0.00 C ATOM 305 CG ASN A 23 -10.647 -10.837 -6.593 1.00 0.00 C ATOM 306 OD1 ASN A 23 -9.706 -11.147 -5.863 1.00 0.00 O ATOM 307 ND2 ASN A 23 -10.513 -10.676 -7.905 1.00 0.00 N ATOM 0 H ASN A 23 -11.263 -7.622 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.801 -9.108 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.017 -10.797 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.722 -11.344 -6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.603 -10.810 -8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.321 -10.419 -8.472 1.00 0.00 H new ATOM 314 N ALA A 24 -14.240 -7.696 -5.407 1.00 0.00 N ATOM 315 CA ALA A 24 -15.439 -7.327 -4.666 1.00 0.00 C ATOM 316 C ALA A 24 -16.616 -7.095 -5.607 1.00 0.00 C ATOM 317 O ALA A 24 -16.538 -6.282 -6.528 1.00 0.00 O ATOM 318 CB ALA A 24 -15.179 -6.085 -3.826 1.00 0.00 C ATOM 0 H ALA A 24 -13.760 -6.913 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.695 -8.153 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.083 -5.821 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.372 -6.285 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.895 -5.258 -4.477 1.00 0.00 H new ATOM 324 N LYS A 25 -17.708 -7.815 -5.370 1.00 0.00 N ATOM 325 CA LYS A 25 -18.903 -7.688 -6.196 1.00 0.00 C ATOM 326 C LYS A 25 -19.406 -6.248 -6.207 1.00 0.00 C ATOM 327 O LYS A 25 -19.545 -5.620 -5.156 1.00 0.00 O ATOM 328 CB LYS A 25 -20.003 -8.620 -5.683 1.00 0.00 C ATOM 329 CG LYS A 25 -19.689 -10.094 -5.873 1.00 0.00 C ATOM 330 CD LYS A 25 -20.838 -10.973 -5.408 1.00 0.00 C ATOM 331 CE LYS A 25 -20.396 -12.416 -5.223 1.00 0.00 C ATOM 332 NZ LYS A 25 -20.252 -13.124 -6.525 1.00 0.00 N ATOM 0 H LYS A 25 -17.790 -8.493 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.642 -7.971 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.167 -8.426 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.935 -8.386 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.482 -10.290 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.786 -10.349 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.234 -10.589 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.648 -10.930 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.445 -12.439 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.122 -12.941 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.133 -14.143 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.103 -12.966 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.419 -12.758 -7.029 1.00 0.00 H new ATOM 346 N LEU A 26 -19.679 -5.731 -7.400 1.00 0.00 N ATOM 347 CA LEU A 26 -20.168 -4.364 -7.547 1.00 0.00 C ATOM 348 C LEU A 26 -21.692 -4.337 -7.619 1.00 0.00 C ATOM 349 O LEU A 26 -22.345 -5.378 -7.553 1.00 0.00 O ATOM 350 CB LEU A 26 -19.575 -3.722 -8.803 1.00 0.00 C ATOM 351 CG LEU A 26 -18.192 -3.090 -8.644 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.143 -2.218 -7.400 1.00 0.00 C ATOM 353 CD2 LEU A 26 -17.118 -4.167 -8.586 1.00 0.00 C ATOM 0 H LEU A 26 -19.570 -6.237 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.853 -3.795 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.518 -4.482 -9.583 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.265 -2.955 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.000 -2.459 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.151 -1.777 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.886 -1.425 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.357 -2.826 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.140 -3.700 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.307 -4.824 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.137 -4.750 -9.507 1.00 0.00 H new ATOM 365 N SER A 27 -22.251 -3.139 -7.757 1.00 0.00 N ATOM 366 CA SER A 27 -23.698 -2.975 -7.836 1.00 0.00 C ATOM 367 C SER A 27 -24.147 -2.809 -9.284 1.00 0.00 C ATOM 368 O SER A 27 -25.325 -2.967 -9.602 1.00 0.00 O ATOM 369 CB SER A 27 -24.141 -1.766 -7.011 1.00 0.00 C ATOM 370 OG SER A 27 -25.544 -1.582 -7.088 1.00 0.00 O ATOM 0 H SER A 27 -21.724 -2.268 -7.816 1.00 0.00 H new ATOM 0 HA SER A 27 -24.164 -3.873 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.846 -1.904 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.633 -0.871 -7.370 1.00 0.00 H new ATOM 0 HG SER A 27 -25.878 -1.959 -7.929 1.00 0.00 H new ATOM 376 N SER A 28 -23.198 -2.489 -10.159 1.00 0.00 N ATOM 377 CA SER A 28 -23.495 -2.297 -11.573 1.00 0.00 C ATOM 378 C SER A 28 -22.212 -2.111 -12.378 1.00 0.00 C ATOM 379 O SER A 28 -21.130 -1.943 -11.813 1.00 0.00 O ATOM 380 CB SER A 28 -24.411 -1.086 -11.764 1.00 0.00 C ATOM 381 OG SER A 28 -25.303 -1.288 -12.846 1.00 0.00 O ATOM 0 H SER A 28 -22.217 -2.357 -9.913 1.00 0.00 H new ATOM 0 HA SER A 28 -24.004 -3.190 -11.936 1.00 0.00 H new ATOM 0 HB2 SER A 28 -24.977 -0.907 -10.850 1.00 0.00 H new ATOM 0 HB3 SER A 28 -23.809 -0.196 -11.946 1.00 0.00 H new ATOM 0 HG SER A 28 -25.879 -0.501 -12.947 1.00 0.00 H new ATOM 387 N LEU A 29 -22.341 -2.142 -13.699 1.00 0.00 N ATOM 388 CA LEU A 29 -21.192 -1.976 -14.584 1.00 0.00 C ATOM 389 C LEU A 29 -20.491 -0.647 -14.322 1.00 0.00 C ATOM 390 O LEU A 29 -19.296 -0.501 -14.585 1.00 0.00 O ATOM 391 CB LEU A 29 -21.634 -2.054 -16.046 1.00 0.00 C ATOM 392 CG LEU A 29 -20.621 -2.651 -17.023 1.00 0.00 C ATOM 393 CD1 LEU A 29 -20.514 -4.155 -16.828 1.00 0.00 C ATOM 394 CD2 LEU A 29 -21.007 -2.324 -18.458 1.00 0.00 C ATOM 0 H LEU A 29 -23.229 -2.280 -14.182 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.488 -2.783 -14.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -22.549 -2.644 -16.097 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -21.884 -1.048 -16.383 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.646 -2.208 -16.820 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.788 -4.562 -17.532 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -20.190 -4.368 -15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -21.487 -4.615 -17.003 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -20.275 -2.757 -19.139 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.992 -2.738 -18.673 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -21.031 -1.242 -18.591 1.00 0.00 H new ATOM 406 N LEU A 30 -21.239 0.318 -13.801 1.00 0.00 N ATOM 407 CA LEU A 30 -20.689 1.636 -13.501 1.00 0.00 C ATOM 408 C LEU A 30 -19.815 1.589 -12.252 1.00 0.00 C ATOM 409 O LEU A 30 -18.685 2.075 -12.256 1.00 0.00 O ATOM 410 CB LEU A 30 -21.817 2.650 -13.311 1.00 0.00 C ATOM 411 CG LEU A 30 -21.490 4.097 -13.683 1.00 0.00 C ATOM 412 CD1 LEU A 30 -20.378 4.637 -12.798 1.00 0.00 C ATOM 413 CD2 LEU A 30 -21.100 4.194 -15.151 1.00 0.00 C ATOM 0 H LEU A 30 -22.229 0.213 -13.577 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.070 1.945 -14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.672 2.328 -13.905 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.128 2.626 -12.267 1.00 0.00 H new ATOM 0 HG LEU A 30 -22.381 4.704 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.159 5.668 -13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.694 4.603 -11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.483 4.028 -12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -20.871 5.230 -15.399 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.223 3.574 -15.336 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -21.927 3.847 -15.771 1.00 0.00 H new ATOM 425 N GLU A 31 -20.346 0.999 -11.186 1.00 0.00 N ATOM 426 CA GLU A 31 -19.613 0.888 -9.930 1.00 0.00 C ATOM 427 C GLU A 31 -18.256 0.227 -10.149 1.00 0.00 C ATOM 428 O GLU A 31 -17.327 0.421 -9.366 1.00 0.00 O ATOM 429 CB GLU A 31 -20.424 0.087 -8.910 1.00 0.00 C ATOM 430 CG GLU A 31 -20.192 0.520 -7.472 1.00 0.00 C ATOM 431 CD GLU A 31 -21.341 0.143 -6.557 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.347 0.883 -6.532 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.233 -0.891 -5.865 1.00 0.00 O ATOM 0 H GLU A 31 -21.281 0.591 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.450 1.894 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.484 0.185 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.173 -0.969 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.274 0.064 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.047 1.600 -7.441 1.00 0.00 H new ATOM 440 N GLN A 32 -18.150 -0.554 -11.220 1.00 0.00 N ATOM 441 CA GLN A 32 -16.907 -1.244 -11.541 1.00 0.00 C ATOM 442 C GLN A 32 -15.866 -0.269 -12.082 1.00 0.00 C ATOM 443 O GLN A 32 -14.789 -0.114 -11.508 1.00 0.00 O ATOM 444 CB GLN A 32 -17.164 -2.352 -12.564 1.00 0.00 C ATOM 445 CG GLN A 32 -16.095 -3.433 -12.572 1.00 0.00 C ATOM 446 CD GLN A 32 -16.449 -4.598 -13.475 1.00 0.00 C ATOM 447 OE1 GLN A 32 -17.459 -4.567 -14.180 1.00 0.00 O ATOM 448 NE2 GLN A 32 -15.619 -5.634 -13.459 1.00 0.00 N ATOM 0 H GLN A 32 -18.910 -0.724 -11.879 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.520 -1.688 -10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.131 -2.810 -12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.229 -1.909 -13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.149 -3.000 -12.898 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.946 -3.798 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.794 -5.617 -12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.806 -6.447 -14.046 1.00 0.00 H new ATOM 457 N GLY A 33 -16.197 0.388 -13.190 1.00 0.00 N ATOM 458 CA GLY A 33 -15.280 1.340 -13.789 1.00 0.00 C ATOM 459 C GLY A 33 -14.908 2.462 -12.841 1.00 0.00 C ATOM 460 O GLY A 33 -13.884 3.122 -13.021 1.00 0.00 O ATOM 0 H GLY A 33 -17.083 0.278 -13.683 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.375 0.820 -14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.734 1.762 -14.686 1.00 0.00 H new ATOM 464 N SER A 34 -15.742 2.681 -11.829 1.00 0.00 N ATOM 465 CA SER A 34 -15.498 3.736 -10.852 1.00 0.00 C ATOM 466 C SER A 34 -14.740 3.193 -9.645 1.00 0.00 C ATOM 467 O SER A 34 -13.719 3.747 -9.238 1.00 0.00 O ATOM 468 CB SER A 34 -16.821 4.358 -10.401 1.00 0.00 C ATOM 469 OG SER A 34 -17.701 3.371 -9.892 1.00 0.00 O ATOM 0 H SER A 34 -16.592 2.142 -11.664 1.00 0.00 H new ATOM 0 HA SER A 34 -14.887 4.504 -11.327 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.631 5.110 -9.635 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.291 4.870 -11.241 1.00 0.00 H new ATOM 0 HG SER A 34 -18.118 2.890 -10.637 1.00 0.00 H new ATOM 475 N HIS A 35 -15.248 2.104 -9.075 1.00 0.00 N ATOM 476 CA HIS A 35 -14.620 1.485 -7.914 1.00 0.00 C ATOM 477 C HIS A 35 -13.148 1.191 -8.185 1.00 0.00 C ATOM 478 O HIS A 35 -12.338 1.129 -7.261 1.00 0.00 O ATOM 479 CB HIS A 35 -15.349 0.193 -7.542 1.00 0.00 C ATOM 480 CG HIS A 35 -14.616 -0.640 -6.536 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.869 -0.581 -5.182 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.633 -1.557 -6.695 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.072 -1.425 -4.551 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.312 -2.030 -5.446 1.00 0.00 N ATOM 0 H HIS A 35 -16.093 1.633 -9.399 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.686 2.184 -7.080 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.334 0.442 -7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.508 -0.398 -8.444 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.185 -1.860 -7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.046 -1.592 -3.484 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.602 -2.734 -5.243 1.00 0.00 H new ATOM 492 N GLU A 36 -12.809 1.011 -9.458 1.00 0.00 N ATOM 493 CA GLU A 36 -11.434 0.723 -9.849 1.00 0.00 C ATOM 494 C GLU A 36 -10.563 1.971 -9.736 1.00 0.00 C ATOM 495 O GLU A 36 -9.341 1.879 -9.619 1.00 0.00 O ATOM 496 CB GLU A 36 -11.390 0.184 -11.280 1.00 0.00 C ATOM 497 CG GLU A 36 -11.447 -1.332 -11.362 1.00 0.00 C ATOM 498 CD GLU A 36 -10.071 -1.969 -11.345 1.00 0.00 C ATOM 499 OE1 GLU A 36 -9.072 -1.224 -11.269 1.00 0.00 O ATOM 500 OE2 GLU A 36 -9.994 -3.214 -11.408 1.00 0.00 O ATOM 0 H GLU A 36 -13.467 1.060 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.041 -0.035 -9.171 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.225 0.601 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.476 0.531 -11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.031 -1.716 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.967 -1.624 -12.274 1.00 0.00 H new ATOM 507 N ARG A 37 -11.202 3.136 -9.772 1.00 0.00 N ATOM 508 CA ARG A 37 -10.486 4.402 -9.676 1.00 0.00 C ATOM 509 C ARG A 37 -10.068 4.682 -8.235 1.00 0.00 C ATOM 510 O ARG A 37 -8.935 5.090 -7.974 1.00 0.00 O ATOM 511 CB ARG A 37 -11.358 5.546 -10.197 1.00 0.00 C ATOM 512 CG ARG A 37 -11.299 5.719 -11.705 1.00 0.00 C ATOM 513 CD ARG A 37 -12.354 6.698 -12.196 1.00 0.00 C ATOM 514 NE ARG A 37 -12.713 6.462 -13.592 1.00 0.00 N ATOM 515 CZ ARG A 37 -12.015 6.931 -14.620 1.00 0.00 C ATOM 516 NH1 ARG A 37 -10.926 7.658 -14.409 1.00 0.00 N ATOM 517 NH2 ARG A 37 -12.406 6.674 -15.861 1.00 0.00 N ATOM 0 H ARG A 37 -12.213 3.229 -9.867 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.588 4.331 -10.289 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.392 5.368 -9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.046 6.475 -9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.310 6.074 -11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.444 4.753 -12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.245 6.613 -11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.983 7.717 -12.084 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.546 5.906 -13.788 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.623 7.858 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.391 8.017 -15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.243 6.116 -16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.869 7.035 -16.650 1.00 0.00 H new ATOM 531 N LEU A 38 -10.989 4.462 -7.304 1.00 0.00 N ATOM 532 CA LEU A 38 -10.717 4.691 -5.889 1.00 0.00 C ATOM 533 C LEU A 38 -9.974 3.507 -5.279 1.00 0.00 C ATOM 534 O LEU A 38 -9.201 3.665 -4.333 1.00 0.00 O ATOM 535 CB LEU A 38 -12.023 4.933 -5.131 1.00 0.00 C ATOM 536 CG LEU A 38 -13.260 4.220 -5.679 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.202 3.840 -4.547 1.00 0.00 C ATOM 538 CD2 LEU A 38 -13.973 5.096 -6.698 1.00 0.00 C ATOM 0 H LEU A 38 -11.931 4.125 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.086 5.575 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.881 4.626 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.221 6.005 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.938 3.306 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.076 3.334 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.688 3.174 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.518 4.740 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.851 4.572 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.283 6.027 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.297 5.317 -7.524 1.00 0.00 H new ATOM 550 N CYS A 39 -10.211 2.320 -5.828 1.00 0.00 N ATOM 551 CA CYS A 39 -9.563 1.108 -5.340 1.00 0.00 C ATOM 552 C CYS A 39 -8.144 0.992 -5.888 1.00 0.00 C ATOM 553 O CYS A 39 -7.519 -0.065 -5.801 1.00 0.00 O ATOM 554 CB CYS A 39 -10.378 -0.125 -5.736 1.00 0.00 C ATOM 555 SG CYS A 39 -9.767 -1.682 -5.014 1.00 0.00 S ATOM 0 H CYS A 39 -10.847 2.172 -6.611 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.510 1.166 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.414 0.023 -5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.376 -0.215 -6.822 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.467 -1.678 -5.011 1.00 0.00 H new ATOM 560 N ARG A 40 -7.642 2.085 -6.452 1.00 0.00 N ATOM 561 CA ARG A 40 -6.297 2.105 -7.015 1.00 0.00 C ATOM 562 C ARG A 40 -5.391 3.045 -6.225 1.00 0.00 C ATOM 563 O ARG A 40 -4.216 2.752 -6.006 1.00 0.00 O ATOM 564 CB ARG A 40 -6.342 2.537 -8.482 1.00 0.00 C ATOM 565 CG ARG A 40 -5.111 2.129 -9.275 1.00 0.00 C ATOM 566 CD ARG A 40 -5.261 0.732 -9.857 1.00 0.00 C ATOM 567 NE ARG A 40 -6.279 0.681 -10.903 1.00 0.00 N ATOM 568 CZ ARG A 40 -6.047 1.004 -12.170 1.00 0.00 C ATOM 569 NH1 ARG A 40 -4.839 1.399 -12.547 1.00 0.00 N ATOM 570 NH2 ARG A 40 -7.025 0.932 -13.064 1.00 0.00 N ATOM 0 H ARG A 40 -8.146 2.968 -6.531 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.889 1.096 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.226 2.106 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.452 3.620 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.942 2.844 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.233 2.163 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.305 0.405 -10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.523 0.034 -9.062 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.219 0.381 -10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.084 1.456 -11.863 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.664 1.646 -13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.956 0.628 -12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.846 1.180 -14.037 1.00 0.00 H new ATOM 584 N ASN A 41 -5.946 4.175 -5.800 1.00 0.00 N ATOM 585 CA ASN A 41 -5.188 5.159 -5.035 1.00 0.00 C ATOM 586 C ASN A 41 -5.406 4.969 -3.537 1.00 0.00 C ATOM 587 O ASN A 41 -4.537 5.288 -2.727 1.00 0.00 O ATOM 588 CB ASN A 41 -5.592 6.576 -5.445 1.00 0.00 C ATOM 589 CG ASN A 41 -6.781 7.090 -4.656 1.00 0.00 C ATOM 590 OD1 ASN A 41 -6.621 7.722 -3.612 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.982 6.818 -5.153 1.00 0.00 N ATOM 0 H ASN A 41 -6.918 4.432 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.130 5.013 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.746 7.248 -5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.832 6.589 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.820 7.136 -4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.067 6.291 -6.022 1.00 0.00 H new ATOM 598 N ALA A 42 -6.574 4.446 -3.177 1.00 0.00 N ATOM 599 CA ALA A 42 -6.906 4.210 -1.777 1.00 0.00 C ATOM 600 C ALA A 42 -5.667 3.826 -0.976 1.00 0.00 C ATOM 601 O ALA A 42 -5.331 4.475 0.015 1.00 0.00 O ATOM 602 CB ALA A 42 -7.968 3.127 -1.662 1.00 0.00 C ATOM 0 H ALA A 42 -7.306 4.178 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.302 5.137 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.206 2.961 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.867 3.441 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.593 2.202 -2.099 1.00 0.00 H new ATOM 608 N ALA A 43 -4.991 2.767 -1.410 1.00 0.00 N ATOM 609 CA ALA A 43 -3.788 2.298 -0.734 1.00 0.00 C ATOM 610 C ALA A 43 -2.633 2.140 -1.716 1.00 0.00 C ATOM 611 O ALA A 43 -2.531 1.131 -2.414 1.00 0.00 O ATOM 612 CB ALA A 43 -4.063 0.981 -0.022 1.00 0.00 C ATOM 0 H ALA A 43 -5.257 2.218 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.501 3.045 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.156 0.642 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.853 1.124 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.377 0.233 -0.750 1.00 0.00 H new ATOM 618 N VAL A 44 -1.763 3.144 -1.766 1.00 0.00 N ATOM 619 CA VAL A 44 -0.614 3.116 -2.662 1.00 0.00 C ATOM 620 C VAL A 44 0.691 3.267 -1.888 1.00 0.00 C ATOM 621 O VAL A 44 1.005 4.345 -1.382 1.00 0.00 O ATOM 622 CB VAL A 44 -0.701 4.231 -3.722 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.493 4.169 -4.663 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.006 4.129 -4.495 1.00 0.00 C ATOM 0 H VAL A 44 -1.833 3.987 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.627 2.147 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.681 5.195 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.414 4.964 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.413 4.295 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.509 3.203 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.051 4.924 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.059 3.161 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.845 4.229 -3.807 1.00 0.00 H new ATOM 634 N CYS A 45 1.449 2.179 -1.801 1.00 0.00 N ATOM 635 CA CYS A 45 2.721 2.189 -1.088 1.00 0.00 C ATOM 636 C CYS A 45 3.762 3.009 -1.844 1.00 0.00 C ATOM 637 O CYS A 45 4.128 2.701 -2.979 1.00 0.00 O ATOM 638 CB CYS A 45 3.229 0.759 -0.890 1.00 0.00 C ATOM 639 SG CYS A 45 4.660 0.627 0.230 1.00 0.00 S ATOM 0 H CYS A 45 1.205 1.279 -2.215 1.00 0.00 H new ATOM 0 HA CYS A 45 2.559 2.649 -0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.417 0.147 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.501 0.344 -1.860 1.00 0.00 H new ATOM 0 HG CYS A 45 5.015 -0.619 0.335 1.00 0.00 H new ATOM 644 N PRO A 46 4.251 4.081 -1.202 1.00 0.00 N ATOM 645 CA PRO A 46 5.257 4.968 -1.795 1.00 0.00 C ATOM 646 C PRO A 46 6.621 4.297 -1.918 1.00 0.00 C ATOM 647 O PRO A 46 7.604 4.933 -2.297 1.00 0.00 O ATOM 648 CB PRO A 46 5.323 6.137 -0.809 1.00 0.00 C ATOM 649 CG PRO A 46 4.878 5.562 0.491 1.00 0.00 C ATOM 650 CD PRO A 46 3.860 4.509 0.151 1.00 0.00 C ATOM 0 HA PRO A 46 4.993 5.263 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.334 6.539 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.675 6.956 -1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.718 5.131 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.445 6.331 1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.888 3.680 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.846 4.909 0.169 1.00 0.00 H new ATOM 658 N TYR A 47 6.673 3.010 -1.595 1.00 0.00 N ATOM 659 CA TYR A 47 7.917 2.253 -1.668 1.00 0.00 C ATOM 660 C TYR A 47 7.950 1.377 -2.916 1.00 0.00 C ATOM 661 O TYR A 47 8.844 1.500 -3.753 1.00 0.00 O ATOM 662 CB TYR A 47 8.086 1.387 -0.418 1.00 0.00 C ATOM 663 CG TYR A 47 8.091 2.178 0.870 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.747 3.400 0.955 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.441 1.703 2.003 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.756 4.126 2.131 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.443 2.423 3.182 1.00 0.00 C ATOM 668 CZ TYR A 47 8.102 3.633 3.241 1.00 0.00 C ATOM 669 OH TYR A 47 8.107 4.353 4.414 1.00 0.00 O ATOM 0 H TYR A 47 5.868 2.469 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 47 8.742 2.963 -1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.279 0.655 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.019 0.830 -0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.259 3.789 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.926 0.755 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.272 5.074 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.931 2.040 4.053 1.00 0.00 H new ATOM 0 HH TYR A 47 7.601 3.867 5.098 1.00 0.00 H new ATOM 679 N CYS A 48 6.966 0.491 -3.035 1.00 0.00 N ATOM 680 CA CYS A 48 6.879 -0.408 -4.180 1.00 0.00 C ATOM 681 C CYS A 48 5.746 0.008 -5.113 1.00 0.00 C ATOM 682 O CYS A 48 5.499 -0.637 -6.132 1.00 0.00 O ATOM 683 CB CYS A 48 6.665 -1.848 -3.709 1.00 0.00 C ATOM 684 SG CYS A 48 5.261 -2.056 -2.568 1.00 0.00 S ATOM 0 H CYS A 48 6.217 0.377 -2.352 1.00 0.00 H new ATOM 0 HA CYS A 48 7.818 -0.349 -4.730 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.509 -2.484 -4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.573 -2.197 -3.218 1.00 0.00 H new ATOM 0 HG CYS A 48 5.335 -1.168 -1.622 1.00 0.00 H new ATOM 689 N SER A 49 5.061 1.091 -4.757 1.00 0.00 N ATOM 690 CA SER A 49 3.952 1.591 -5.560 1.00 0.00 C ATOM 691 C SER A 49 2.887 0.515 -5.746 1.00 0.00 C ATOM 692 O SER A 49 2.505 0.191 -6.872 1.00 0.00 O ATOM 693 CB SER A 49 4.456 2.067 -6.924 1.00 0.00 C ATOM 694 OG SER A 49 5.334 3.170 -6.787 1.00 0.00 O ATOM 0 H SER A 49 5.255 1.638 -3.918 1.00 0.00 H new ATOM 0 HA SER A 49 3.504 2.433 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.970 1.250 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.609 2.348 -7.550 1.00 0.00 H new ATOM 0 HG SER A 49 5.643 3.454 -7.673 1.00 0.00 H new ATOM 700 N LEU A 50 2.411 -0.035 -4.635 1.00 0.00 N ATOM 701 CA LEU A 50 1.389 -1.076 -4.673 1.00 0.00 C ATOM 702 C LEU A 50 -0.008 -0.466 -4.741 1.00 0.00 C ATOM 703 O LEU A 50 -0.160 0.754 -4.808 1.00 0.00 O ATOM 704 CB LEU A 50 1.505 -1.978 -3.443 1.00 0.00 C ATOM 705 CG LEU A 50 2.368 -3.229 -3.607 1.00 0.00 C ATOM 706 CD1 LEU A 50 2.744 -3.800 -2.249 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.641 -4.272 -4.444 1.00 0.00 C ATOM 0 H LEU A 50 2.716 0.222 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 50 1.548 -1.674 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.909 -1.387 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.502 -2.289 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 50 3.285 -2.950 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.358 -4.690 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.305 -3.056 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.839 -4.064 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.270 -5.156 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.708 -4.548 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.424 -3.860 -5.430 1.00 0.00 H new ATOM 719 N ARG A 51 -1.024 -1.322 -4.720 1.00 0.00 N ATOM 720 CA ARG A 51 -2.407 -0.867 -4.778 1.00 0.00 C ATOM 721 C ARG A 51 -3.328 -1.832 -4.037 1.00 0.00 C ATOM 722 O ARG A 51 -3.632 -2.919 -4.531 1.00 0.00 O ATOM 723 CB ARG A 51 -2.860 -0.727 -6.232 1.00 0.00 C ATOM 724 CG ARG A 51 -2.054 0.286 -7.027 1.00 0.00 C ATOM 725 CD ARG A 51 -2.226 0.085 -8.524 1.00 0.00 C ATOM 726 NE ARG A 51 -1.224 -0.824 -9.073 1.00 0.00 N ATOM 727 CZ ARG A 51 0.020 -0.458 -9.362 1.00 0.00 C ATOM 728 NH1 ARG A 51 0.413 0.791 -9.154 1.00 0.00 N ATOM 729 NH2 ARG A 51 0.875 -1.344 -9.859 1.00 0.00 N ATOM 0 H ARG A 51 -0.915 -2.335 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.463 0.107 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.789 -1.699 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.911 -0.437 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.367 1.294 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.999 0.199 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.222 -0.310 -8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.157 1.048 -9.029 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.494 -1.793 -9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.240 1.474 -8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.369 1.069 -9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.577 -2.306 -10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.830 -1.062 -10.081 1.00 0.00 H new ATOM 743 N PHE A 52 -3.770 -1.429 -2.851 1.00 0.00 N ATOM 744 CA PHE A 52 -4.655 -2.258 -2.041 1.00 0.00 C ATOM 745 C PHE A 52 -6.065 -1.677 -2.009 1.00 0.00 C ATOM 746 O PHE A 52 -6.289 -0.538 -2.418 1.00 0.00 O ATOM 747 CB PHE A 52 -4.110 -2.384 -0.617 1.00 0.00 C ATOM 748 CG PHE A 52 -2.756 -3.030 -0.548 1.00 0.00 C ATOM 749 CD1 PHE A 52 -2.635 -4.406 -0.442 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.604 -2.261 -0.589 1.00 0.00 C ATOM 751 CE1 PHE A 52 -1.390 -5.004 -0.378 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.356 -2.854 -0.527 1.00 0.00 C ATOM 753 CZ PHE A 52 -0.250 -4.227 -0.420 1.00 0.00 C ATOM 0 H PHE A 52 -3.530 -0.532 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.699 -3.249 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.054 -1.392 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.812 -2.965 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.524 -5.019 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.681 -1.187 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.310 -6.078 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.535 -2.244 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.723 -4.692 -0.369 1.00 0.00 H new ATOM 763 N PHE A 53 -7.014 -2.470 -1.520 1.00 0.00 N ATOM 764 CA PHE A 53 -8.403 -2.036 -1.435 1.00 0.00 C ATOM 765 C PHE A 53 -8.585 -1.006 -0.324 1.00 0.00 C ATOM 766 O PHE A 53 -9.275 -0.003 -0.499 1.00 0.00 O ATOM 767 CB PHE A 53 -9.320 -3.236 -1.189 1.00 0.00 C ATOM 768 CG PHE A 53 -10.631 -2.869 -0.554 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.310 -1.726 -0.946 1.00 0.00 C ATOM 770 CD2 PHE A 53 -11.184 -3.666 0.435 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.516 -1.386 -0.365 1.00 0.00 C ATOM 772 CE2 PHE A 53 -12.390 -3.330 1.020 1.00 0.00 C ATOM 773 CZ PHE A 53 -13.057 -2.188 0.621 1.00 0.00 C ATOM 0 H PHE A 53 -6.846 -3.416 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.671 -1.571 -2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.513 -3.736 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.804 -3.952 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.891 -1.094 -1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.667 -4.560 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -13.036 -0.494 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.811 -3.960 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.999 -1.923 1.079 1.00 0.00 H new ATOM 783 N SER A 54 -7.960 -1.264 0.821 1.00 0.00 N ATOM 784 CA SER A 54 -8.056 -0.363 1.964 1.00 0.00 C ATOM 785 C SER A 54 -6.680 0.168 2.353 1.00 0.00 C ATOM 786 O SER A 54 -5.647 -0.432 2.055 1.00 0.00 O ATOM 787 CB SER A 54 -8.694 -1.081 3.154 1.00 0.00 C ATOM 788 OG SER A 54 -10.107 -0.990 3.107 1.00 0.00 O ATOM 0 H SER A 54 -7.382 -2.089 0.982 1.00 0.00 H new ATOM 0 HA SER A 54 -8.685 0.481 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.394 -2.129 3.154 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.329 -0.645 4.084 1.00 0.00 H new ATOM 0 HG SER A 54 -10.491 -1.458 3.878 1.00 0.00 H new ATOM 794 N PRO A 55 -6.664 1.322 3.036 1.00 0.00 N ATOM 795 CA PRO A 55 -5.422 1.961 3.482 1.00 0.00 C ATOM 796 C PRO A 55 -4.736 1.178 4.597 1.00 0.00 C ATOM 797 O PRO A 55 -3.541 1.346 4.840 1.00 0.00 O ATOM 798 CB PRO A 55 -5.889 3.325 3.996 1.00 0.00 C ATOM 799 CG PRO A 55 -7.312 3.117 4.383 1.00 0.00 C ATOM 800 CD PRO A 55 -7.856 2.093 3.426 1.00 0.00 C ATOM 0 HA PRO A 55 -4.685 2.022 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.291 3.653 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.796 4.091 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.389 2.769 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.874 4.049 4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.607 1.460 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.331 2.561 2.564 1.00 0.00 H new ATOM 808 N GLU A 56 -5.499 0.324 5.270 1.00 0.00 N ATOM 809 CA GLU A 56 -4.963 -0.484 6.360 1.00 0.00 C ATOM 810 C GLU A 56 -4.080 -1.606 5.821 1.00 0.00 C ATOM 811 O GLU A 56 -3.013 -1.888 6.368 1.00 0.00 O ATOM 812 CB GLU A 56 -6.101 -1.073 7.196 1.00 0.00 C ATOM 813 CG GLU A 56 -6.584 -0.150 8.302 1.00 0.00 C ATOM 814 CD GLU A 56 -7.505 -0.848 9.284 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.021 -1.716 10.039 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.712 -0.526 9.296 1.00 0.00 O ATOM 0 H GLU A 56 -6.490 0.173 5.080 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.355 0.163 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.938 -1.309 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.768 -2.012 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.723 0.250 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.106 0.698 7.860 1.00 0.00 H new ATOM 823 N LEU A 57 -4.532 -2.243 4.747 1.00 0.00 N ATOM 824 CA LEU A 57 -3.784 -3.335 4.133 1.00 0.00 C ATOM 825 C LEU A 57 -2.398 -2.870 3.701 1.00 0.00 C ATOM 826 O LEU A 57 -1.483 -3.678 3.536 1.00 0.00 O ATOM 827 CB LEU A 57 -4.548 -3.888 2.928 1.00 0.00 C ATOM 828 CG LEU A 57 -5.623 -4.930 3.236 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.447 -5.231 1.993 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.992 -6.203 3.781 1.00 0.00 C ATOM 0 H LEU A 57 -5.413 -2.022 4.283 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.667 -4.125 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.018 -3.054 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.829 -4.330 2.239 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.288 -4.523 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.207 -5.975 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.930 -4.317 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.795 -5.617 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.772 -6.933 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.304 -6.613 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.447 -5.976 4.697 1.00 0.00 H new ATOM 842 N LYS A 58 -2.247 -1.562 3.521 1.00 0.00 N ATOM 843 CA LYS A 58 -0.971 -0.987 3.112 1.00 0.00 C ATOM 844 C LYS A 58 -0.084 -0.714 4.323 1.00 0.00 C ATOM 845 O LYS A 58 1.078 -1.118 4.355 1.00 0.00 O ATOM 846 CB LYS A 58 -1.199 0.308 2.330 1.00 0.00 C ATOM 847 CG LYS A 58 0.071 0.893 1.738 1.00 0.00 C ATOM 848 CD LYS A 58 0.796 1.778 2.738 1.00 0.00 C ATOM 849 CE LYS A 58 0.310 3.218 2.663 1.00 0.00 C ATOM 850 NZ LYS A 58 0.322 3.877 3.998 1.00 0.00 N ATOM 0 H LYS A 58 -2.994 -0.880 3.652 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.465 -1.708 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.910 0.117 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.655 1.046 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.731 0.086 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.175 1.473 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.641 1.393 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.868 1.744 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.942 3.779 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.701 3.239 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.540 4.888 3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.611 3.772 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.046 3.432 4.598 1.00 0.00 H new ATOM 864 N GLN A 59 -0.641 -0.027 5.315 1.00 0.00 N ATOM 865 CA GLN A 59 0.101 0.299 6.528 1.00 0.00 C ATOM 866 C GLN A 59 0.850 -0.921 7.052 1.00 0.00 C ATOM 867 O GLN A 59 2.002 -0.820 7.473 1.00 0.00 O ATOM 868 CB GLN A 59 -0.848 0.831 7.603 1.00 0.00 C ATOM 869 CG GLN A 59 -1.480 2.168 7.251 1.00 0.00 C ATOM 870 CD GLN A 59 -2.038 2.887 8.463 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.625 2.634 9.595 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.983 3.792 8.232 1.00 0.00 N ATOM 0 H GLN A 59 -1.602 0.314 5.303 1.00 0.00 H new ATOM 0 HA GLN A 59 0.830 1.071 6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.638 0.099 7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.301 0.933 8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.736 2.801 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.280 2.008 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.296 3.970 7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.395 4.308 9.009 1.00 0.00 H new ATOM 881 N GLU A 60 0.188 -2.074 7.023 1.00 0.00 N ATOM 882 CA GLU A 60 0.793 -3.313 7.497 1.00 0.00 C ATOM 883 C GLU A 60 1.947 -3.736 6.593 1.00 0.00 C ATOM 884 O GLU A 60 3.028 -4.084 7.069 1.00 0.00 O ATOM 885 CB GLU A 60 -0.255 -4.427 7.560 1.00 0.00 C ATOM 886 CG GLU A 60 -0.920 -4.712 6.224 1.00 0.00 C ATOM 887 CD GLU A 60 -0.182 -5.764 5.418 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.427 -6.664 6.033 1.00 0.00 O ATOM 889 OE2 GLU A 60 -0.215 -5.687 4.172 1.00 0.00 O ATOM 0 H GLU A 60 -0.766 -2.175 6.677 1.00 0.00 H new ATOM 0 HA GLU A 60 1.185 -3.136 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.218 -5.339 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.020 -4.154 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.944 -5.043 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.976 -3.790 5.646 1.00 0.00 H new ATOM 896 N HIS A 61 1.709 -3.705 5.286 1.00 0.00 N ATOM 897 CA HIS A 61 2.728 -4.085 4.314 1.00 0.00 C ATOM 898 C HIS A 61 3.953 -3.183 4.430 1.00 0.00 C ATOM 899 O HIS A 61 5.080 -3.664 4.543 1.00 0.00 O ATOM 900 CB HIS A 61 2.161 -4.014 2.895 1.00 0.00 C ATOM 901 CG HIS A 61 3.214 -3.941 1.833 1.00 0.00 C ATOM 902 ND1 HIS A 61 3.872 -5.051 1.347 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.722 -2.881 1.161 1.00 0.00 C ATOM 904 CE1 HIS A 61 4.739 -4.677 0.423 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.667 -3.365 0.291 1.00 0.00 N ATOM 0 H HIS A 61 0.820 -3.421 4.875 1.00 0.00 H new ATOM 0 HA HIS A 61 3.032 -5.110 4.525 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.537 -4.890 2.717 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.514 -3.141 2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.437 -1.847 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.395 -5.333 -0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.223 -2.803 -0.353 1.00 0.00 H new ATOM 913 N GLU A 62 3.723 -1.874 4.401 1.00 0.00 N ATOM 914 CA GLU A 62 4.810 -0.907 4.502 1.00 0.00 C ATOM 915 C GLU A 62 5.811 -1.323 5.576 1.00 0.00 C ATOM 916 O GLU A 62 7.004 -1.039 5.471 1.00 0.00 O ATOM 917 CB GLU A 62 4.255 0.484 4.818 1.00 0.00 C ATOM 918 CG GLU A 62 4.148 1.387 3.600 1.00 0.00 C ATOM 919 CD GLU A 62 3.465 2.705 3.910 1.00 0.00 C ATOM 920 OE1 GLU A 62 3.011 2.881 5.060 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.385 3.560 3.003 1.00 0.00 O ATOM 0 H GLU A 62 2.796 -1.459 4.309 1.00 0.00 H new ATOM 0 HA GLU A 62 5.326 -0.876 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.269 0.379 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.896 0.962 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.146 1.583 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.594 0.870 2.817 1.00 0.00 H new ATOM 928 N SER A 63 5.316 -1.997 6.609 1.00 0.00 N ATOM 929 CA SER A 63 6.165 -2.449 7.705 1.00 0.00 C ATOM 930 C SER A 63 7.061 -3.601 7.259 1.00 0.00 C ATOM 931 O SER A 63 8.217 -3.700 7.671 1.00 0.00 O ATOM 932 CB SER A 63 5.309 -2.885 8.895 1.00 0.00 C ATOM 933 OG SER A 63 6.118 -3.210 10.013 1.00 0.00 O ATOM 0 H SER A 63 4.331 -2.242 6.710 1.00 0.00 H new ATOM 0 HA SER A 63 6.798 -1.615 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.618 -2.086 9.162 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.705 -3.748 8.616 1.00 0.00 H new ATOM 0 HG SER A 63 5.547 -3.484 10.761 1.00 0.00 H new ATOM 939 N LYS A 64 6.518 -4.470 6.413 1.00 0.00 N ATOM 940 CA LYS A 64 7.266 -5.615 5.907 1.00 0.00 C ATOM 941 C LYS A 64 7.677 -5.399 4.454 1.00 0.00 C ATOM 942 O LYS A 64 8.100 -6.333 3.773 1.00 0.00 O ATOM 943 CB LYS A 64 6.428 -6.890 6.028 1.00 0.00 C ATOM 944 CG LYS A 64 5.111 -6.826 5.275 1.00 0.00 C ATOM 945 CD LYS A 64 4.048 -7.687 5.936 1.00 0.00 C ATOM 946 CE LYS A 64 3.802 -7.261 7.376 1.00 0.00 C ATOM 947 NZ LYS A 64 4.614 -8.058 8.336 1.00 0.00 N ATOM 0 H LYS A 64 5.562 -4.403 6.063 1.00 0.00 H new ATOM 0 HA LYS A 64 8.169 -5.722 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.009 -7.733 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.226 -7.083 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.767 -5.793 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.262 -7.157 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.119 -7.617 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.358 -8.732 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.042 -6.204 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.744 -7.375 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.983 -8.624 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.250 -8.691 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.177 -7.417 8.931 1.00 0.00 H new ATOM 961 N CYS A 65 7.551 -4.162 3.986 1.00 0.00 N ATOM 962 CA CYS A 65 7.910 -3.822 2.615 1.00 0.00 C ATOM 963 C CYS A 65 9.407 -4.000 2.384 1.00 0.00 C ATOM 964 O CYS A 65 10.213 -3.802 3.293 1.00 0.00 O ATOM 965 CB CYS A 65 7.502 -2.381 2.301 1.00 0.00 C ATOM 966 SG CYS A 65 7.743 -1.903 0.559 1.00 0.00 S ATOM 0 H CYS A 65 7.202 -3.378 4.537 1.00 0.00 H new ATOM 0 HA CYS A 65 7.375 -4.498 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.452 -2.247 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.077 -1.706 2.935 1.00 0.00 H new ATOM 0 HG CYS A 65 7.227 -2.811 -0.215 1.00 0.00 H new ATOM 971 N GLU A 66 9.772 -4.375 1.162 1.00 0.00 N ATOM 972 CA GLU A 66 11.173 -4.581 0.813 1.00 0.00 C ATOM 973 C GLU A 66 11.769 -3.321 0.191 1.00 0.00 C ATOM 974 O GLU A 66 12.964 -3.056 0.324 1.00 0.00 O ATOM 975 CB GLU A 66 11.313 -5.756 -0.156 1.00 0.00 C ATOM 976 CG GLU A 66 10.696 -5.497 -1.521 1.00 0.00 C ATOM 977 CD GLU A 66 10.529 -6.765 -2.335 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.526 -7.478 -2.125 1.00 0.00 O ATOM 979 OE2 GLU A 66 11.401 -7.043 -3.185 1.00 0.00 O ATOM 0 H GLU A 66 9.118 -4.542 0.398 1.00 0.00 H new ATOM 0 HA GLU A 66 11.719 -4.808 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.371 -5.987 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.845 -6.636 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.724 -5.022 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.323 -4.796 -2.072 1.00 0.00 H new ATOM 986 N TYR A 67 10.928 -2.549 -0.487 1.00 0.00 N ATOM 987 CA TYR A 67 11.371 -1.318 -1.133 1.00 0.00 C ATOM 988 C TYR A 67 11.507 -0.189 -0.116 1.00 0.00 C ATOM 989 O TYR A 67 12.234 0.780 -0.339 1.00 0.00 O ATOM 990 CB TYR A 67 10.389 -0.913 -2.233 1.00 0.00 C ATOM 991 CG TYR A 67 10.614 -1.637 -3.542 1.00 0.00 C ATOM 992 CD1 TYR A 67 10.073 -2.898 -3.763 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.366 -1.060 -4.557 1.00 0.00 C ATOM 994 CE1 TYR A 67 10.277 -3.563 -4.956 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.574 -1.717 -5.755 1.00 0.00 C ATOM 996 CZ TYR A 67 11.028 -2.968 -5.949 1.00 0.00 C ATOM 997 OH TYR A 67 11.232 -3.627 -7.140 1.00 0.00 O ATOM 0 H TYR A 67 9.936 -2.753 -0.604 1.00 0.00 H new ATOM 0 HA TYR A 67 12.349 -1.502 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.373 -1.107 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.469 0.161 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.483 -3.366 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.796 -0.081 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.851 -4.543 -5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.161 -1.253 -6.534 1.00 0.00 H new ATOM 0 HH TYR A 67 11.780 -3.071 -7.732 1.00 0.00 H new ATOM 1007 N LYS A 68 10.802 -0.320 1.003 1.00 0.00 N ATOM 1008 CA LYS A 68 10.844 0.686 2.057 1.00 0.00 C ATOM 1009 C LYS A 68 12.279 1.121 2.337 1.00 0.00 C ATOM 1010 O LYS A 68 12.623 2.294 2.194 1.00 0.00 O ATOM 1011 CB LYS A 68 10.205 0.142 3.336 1.00 0.00 C ATOM 1012 CG LYS A 68 10.359 1.064 4.533 1.00 0.00 C ATOM 1013 CD LYS A 68 9.296 0.794 5.585 1.00 0.00 C ATOM 1014 CE LYS A 68 9.660 1.426 6.920 1.00 0.00 C ATOM 1015 NZ LYS A 68 10.714 0.652 7.631 1.00 0.00 N ATOM 0 H LYS A 68 10.194 -1.114 1.203 1.00 0.00 H new ATOM 0 HA LYS A 68 10.280 1.555 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.144 -0.032 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.651 -0.824 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.348 0.931 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.293 2.101 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.338 1.186 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.173 -0.282 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.007 2.446 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.770 1.489 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.850 1.045 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.423 -0.344 7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.607 0.713 7.101 1.00 0.00 H new ATOM 1029 N LYS A 69 13.113 0.167 2.737 1.00 0.00 N ATOM 1030 CA LYS A 69 14.512 0.450 3.035 1.00 0.00 C ATOM 1031 C LYS A 69 15.215 1.058 1.825 1.00 0.00 C ATOM 1032 O LYS A 69 16.001 1.996 1.958 1.00 0.00 O ATOM 1033 CB LYS A 69 15.232 -0.830 3.466 1.00 0.00 C ATOM 1034 CG LYS A 69 15.310 -1.882 2.373 1.00 0.00 C ATOM 1035 CD LYS A 69 15.444 -3.280 2.953 1.00 0.00 C ATOM 1036 CE LYS A 69 15.587 -4.326 1.858 1.00 0.00 C ATOM 1037 NZ LYS A 69 15.198 -5.683 2.333 1.00 0.00 N ATOM 0 H LYS A 69 12.844 -0.809 2.862 1.00 0.00 H new ATOM 0 HA LYS A 69 14.544 1.171 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.242 -0.578 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.718 -1.253 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.416 -1.829 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.161 -1.673 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.312 -3.320 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.570 -3.507 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.966 -4.048 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.619 -4.346 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.309 -6.367 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.807 -5.960 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.206 -5.671 2.644 1.00 0.00 H new ATOM 1051 N LEU A 70 14.926 0.518 0.646 1.00 0.00 N ATOM 1052 CA LEU A 70 15.528 1.009 -0.588 1.00 0.00 C ATOM 1053 C LEU A 70 15.038 2.416 -0.912 1.00 0.00 C ATOM 1054 O LEU A 70 15.566 3.080 -1.805 1.00 0.00 O ATOM 1055 CB LEU A 70 15.205 0.064 -1.747 1.00 0.00 C ATOM 1056 CG LEU A 70 15.826 -1.331 -1.669 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.262 -2.228 -2.760 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.342 -1.248 -1.775 1.00 0.00 C ATOM 0 H LEU A 70 14.279 -0.260 0.519 1.00 0.00 H new ATOM 0 HA LEU A 70 16.608 1.045 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.122 -0.045 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.532 0.534 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 70 15.573 -1.766 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.716 -3.217 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.182 -2.314 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.483 -1.797 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.766 -2.250 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.616 -0.792 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.731 -0.642 -0.957 1.00 0.00 H new ATOM 1070 N THR A 71 14.025 2.867 -0.179 1.00 0.00 N ATOM 1071 CA THR A 71 13.463 4.196 -0.387 1.00 0.00 C ATOM 1072 C THR A 71 14.122 5.221 0.528 1.00 0.00 C ATOM 1073 O THR A 71 14.056 5.109 1.753 1.00 0.00 O ATOM 1074 CB THR A 71 11.942 4.208 -0.142 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.294 3.299 -1.038 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.375 5.607 -0.331 1.00 0.00 C ATOM 0 H THR A 71 13.577 2.331 0.564 1.00 0.00 H new ATOM 0 HA THR A 71 13.658 4.462 -1.426 1.00 0.00 H new ATOM 0 HB THR A 71 11.759 3.895 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.586 2.384 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.300 5.591 -0.153 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.849 6.290 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.569 5.944 -1.349 1.00 0.00 H new ATOM 1084 N CYS A 72 14.758 6.222 -0.072 1.00 0.00 N ATOM 1085 CA CYS A 72 15.430 7.268 0.689 1.00 0.00 C ATOM 1086 C CYS A 72 14.415 8.202 1.342 1.00 0.00 C ATOM 1087 O CYS A 72 13.914 9.132 0.710 1.00 0.00 O ATOM 1088 CB CYS A 72 16.364 8.069 -0.220 1.00 0.00 C ATOM 1089 SG CYS A 72 17.442 9.239 0.667 1.00 0.00 S ATOM 0 H CYS A 72 14.822 6.330 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 72 16.018 6.791 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 72 16.986 7.375 -0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 72 15.764 8.621 -0.943 1.00 0.00 H new ATOM 0 HG CYS A 72 18.195 9.867 -0.186 1.00 0.00 H new ATOM 1094 N LEU A 73 14.117 7.947 2.612 1.00 0.00 N ATOM 1095 CA LEU A 73 13.163 8.765 3.353 1.00 0.00 C ATOM 1096 C LEU A 73 13.604 10.224 3.383 1.00 0.00 C ATOM 1097 O LEU A 73 12.776 11.131 3.461 1.00 0.00 O ATOM 1098 CB LEU A 73 13.009 8.237 4.780 1.00 0.00 C ATOM 1099 CG LEU A 73 12.647 6.757 4.913 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.687 6.327 6.371 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.274 6.488 4.314 1.00 0.00 C ATOM 0 H LEU A 73 14.522 7.181 3.149 1.00 0.00 H new ATOM 0 HA LEU A 73 12.200 8.707 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.944 8.411 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.241 8.825 5.283 1.00 0.00 H new ATOM 0 HG LEU A 73 13.383 6.172 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.427 5.271 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.690 6.483 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.973 6.918 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.033 5.430 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.526 7.084 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.279 6.757 3.258 1.00 0.00 H new ATOM 1113 N GLU A 74 14.914 10.443 3.318 1.00 0.00 N ATOM 1114 CA GLU A 74 15.464 11.793 3.336 1.00 0.00 C ATOM 1115 C GLU A 74 14.808 12.663 2.268 1.00 0.00 C ATOM 1116 O GLU A 74 14.155 13.660 2.577 1.00 0.00 O ATOM 1117 CB GLU A 74 16.978 11.754 3.119 1.00 0.00 C ATOM 1118 CG GLU A 74 17.711 10.859 4.104 1.00 0.00 C ATOM 1119 CD GLU A 74 17.986 11.550 5.426 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.017 12.001 6.072 1.00 0.00 O ATOM 1121 OE2 GLU A 74 19.169 11.639 5.815 1.00 0.00 O ATOM 0 H GLU A 74 15.613 9.703 3.252 1.00 0.00 H new ATOM 0 HA GLU A 74 15.255 12.229 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.183 11.409 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.374 12.767 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.119 9.961 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.654 10.536 3.664 1.00 0.00 H new ATOM 1128 N CYS A 75 14.987 12.278 1.008 1.00 0.00 N ATOM 1129 CA CYS A 75 14.414 13.021 -0.108 1.00 0.00 C ATOM 1130 C CYS A 75 13.430 12.156 -0.889 1.00 0.00 C ATOM 1131 O CYS A 75 13.313 12.279 -2.108 1.00 0.00 O ATOM 1132 CB CYS A 75 15.523 13.519 -1.037 1.00 0.00 C ATOM 1133 SG CYS A 75 16.460 12.189 -1.856 1.00 0.00 S ATOM 0 H CYS A 75 15.525 11.455 0.735 1.00 0.00 H new ATOM 0 HA CYS A 75 13.875 13.878 0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.082 14.161 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.214 14.135 -0.462 1.00 0.00 H new ATOM 0 HG CYS A 75 17.373 12.709 -2.621 1.00 0.00 H new ATOM 1138 N MET A 76 12.725 11.282 -0.179 1.00 0.00 N ATOM 1139 CA MET A 76 11.749 10.398 -0.805 1.00 0.00 C ATOM 1140 C MET A 76 12.218 9.968 -2.192 1.00 0.00 C ATOM 1141 O MET A 76 11.498 10.129 -3.178 1.00 0.00 O ATOM 1142 CB MET A 76 10.390 11.093 -0.906 1.00 0.00 C ATOM 1143 CG MET A 76 9.734 11.343 0.442 1.00 0.00 C ATOM 1144 SD MET A 76 9.663 9.860 1.465 1.00 0.00 S ATOM 1145 CE MET A 76 9.162 8.637 0.256 1.00 0.00 C ATOM 0 H MET A 76 12.811 11.167 0.831 1.00 0.00 H new ATOM 0 HA MET A 76 11.648 9.509 -0.182 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.515 12.045 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.724 10.484 -1.518 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.286 12.119 0.972 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.724 11.721 0.286 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.672 7.805 0.762 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.469 9.089 -0.453 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.040 8.271 -0.277 1.00 0.00 H new ATOM 1155 N ARG A 77 13.427 9.420 -2.260 1.00 0.00 N ATOM 1156 CA ARG A 77 13.991 8.968 -3.526 1.00 0.00 C ATOM 1157 C ARG A 77 14.235 7.462 -3.506 1.00 0.00 C ATOM 1158 O ARG A 77 15.160 6.981 -2.850 1.00 0.00 O ATOM 1159 CB ARG A 77 15.300 9.704 -3.817 1.00 0.00 C ATOM 1160 CG ARG A 77 15.789 9.536 -5.246 1.00 0.00 C ATOM 1161 CD ARG A 77 16.642 10.716 -5.686 1.00 0.00 C ATOM 1162 NE ARG A 77 15.828 11.840 -6.139 1.00 0.00 N ATOM 1163 CZ ARG A 77 15.124 11.831 -7.266 1.00 0.00 C ATOM 1164 NH1 ARG A 77 15.134 10.761 -8.049 1.00 0.00 N ATOM 1165 NH2 ARG A 77 14.407 12.893 -7.611 1.00 0.00 N ATOM 0 H ARG A 77 14.035 9.278 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 77 13.273 9.192 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.163 10.766 -3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.069 9.343 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.369 8.616 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.934 9.434 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.273 11.036 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.307 10.403 -6.491 1.00 0.00 H new ATOM 0 HE ARG A 77 15.798 12.678 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.683 9.942 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.593 10.757 -8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.396 13.718 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.867 12.885 -8.476 1.00 0.00 H new ATOM 1179 N THR A 78 13.399 6.723 -4.228 1.00 0.00 N ATOM 1180 CA THR A 78 13.523 5.272 -4.292 1.00 0.00 C ATOM 1181 C THR A 78 14.481 4.850 -5.399 1.00 0.00 C ATOM 1182 O THR A 78 14.498 5.442 -6.478 1.00 0.00 O ATOM 1183 CB THR A 78 12.156 4.602 -4.528 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.152 5.242 -3.733 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.213 3.121 -4.186 1.00 0.00 C ATOM 0 H THR A 78 12.629 7.105 -4.777 1.00 0.00 H new ATOM 0 HA THR A 78 13.918 4.946 -3.330 1.00 0.00 H new ATOM 0 HB THR A 78 11.903 4.706 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.286 4.811 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.236 2.669 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.957 2.631 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.487 3.000 -3.138 1.00 0.00 H new ATOM 1193 N PHE A 79 15.278 3.822 -5.126 1.00 0.00 N ATOM 1194 CA PHE A 79 16.240 3.321 -6.100 1.00 0.00 C ATOM 1195 C PHE A 79 15.916 1.882 -6.494 1.00 0.00 C ATOM 1196 O PHE A 79 14.903 1.324 -6.074 1.00 0.00 O ATOM 1197 CB PHE A 79 17.660 3.399 -5.534 1.00 0.00 C ATOM 1198 CG PHE A 79 18.185 4.802 -5.425 1.00 0.00 C ATOM 1199 CD1 PHE A 79 17.730 5.651 -4.429 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.135 5.271 -6.318 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.211 6.943 -4.328 1.00 0.00 C ATOM 1202 CE2 PHE A 79 19.620 6.562 -6.221 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.158 7.398 -5.224 1.00 0.00 C ATOM 0 H PHE A 79 15.276 3.320 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 79 16.177 3.947 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 79 17.675 2.936 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.328 2.818 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.991 5.299 -3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 79 19.501 4.621 -7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.846 7.596 -3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 79 20.359 6.916 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.537 8.406 -5.145 1.00 0.00 H new ATOM 1213 N LYS A 80 16.785 1.288 -7.305 1.00 0.00 N ATOM 1214 CA LYS A 80 16.594 -0.085 -7.756 1.00 0.00 C ATOM 1215 C LYS A 80 17.801 -0.948 -7.401 1.00 0.00 C ATOM 1216 O LYS A 80 18.071 -1.954 -8.057 1.00 0.00 O ATOM 1217 CB LYS A 80 16.357 -0.119 -9.268 1.00 0.00 C ATOM 1218 CG LYS A 80 14.996 0.412 -9.682 1.00 0.00 C ATOM 1219 CD LYS A 80 13.877 -0.514 -9.235 1.00 0.00 C ATOM 1220 CE LYS A 80 12.510 0.051 -9.590 1.00 0.00 C ATOM 1221 NZ LYS A 80 12.010 0.989 -8.547 1.00 0.00 N ATOM 0 H LYS A 80 17.628 1.736 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 80 15.719 -0.489 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.132 0.467 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.460 -1.145 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.844 1.402 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.963 0.527 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.002 -1.490 -9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.939 -0.668 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.569 0.570 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.800 -0.767 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.076 1.352 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.930 0.488 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.674 1.783 -8.447 1.00 0.00 H new ATOM 1235 N SER A 81 18.523 -0.548 -6.359 1.00 0.00 N ATOM 1236 CA SER A 81 19.702 -1.283 -5.918 1.00 0.00 C ATOM 1237 C SER A 81 20.256 -0.695 -4.624 1.00 0.00 C ATOM 1238 O SER A 81 20.600 0.485 -4.562 1.00 0.00 O ATOM 1239 CB SER A 81 20.779 -1.259 -7.005 1.00 0.00 C ATOM 1240 OG SER A 81 21.805 -2.196 -6.726 1.00 0.00 O ATOM 0 H SER A 81 18.312 0.282 -5.804 1.00 0.00 H new ATOM 0 HA SER A 81 19.408 -2.316 -5.730 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.329 -1.484 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.205 -0.258 -7.077 1.00 0.00 H new ATOM 0 HG SER A 81 22.480 -2.163 -7.436 1.00 0.00 H new ATOM 1246 N SER A 82 20.341 -1.529 -3.592 1.00 0.00 N ATOM 1247 CA SER A 82 20.849 -1.092 -2.297 1.00 0.00 C ATOM 1248 C SER A 82 22.146 -0.306 -2.459 1.00 0.00 C ATOM 1249 O SER A 82 22.419 0.627 -1.704 1.00 0.00 O ATOM 1250 CB SER A 82 21.081 -2.298 -1.384 1.00 0.00 C ATOM 1251 OG SER A 82 22.103 -3.136 -1.895 1.00 0.00 O ATOM 0 H SER A 82 20.065 -2.510 -3.628 1.00 0.00 H new ATOM 0 HA SER A 82 20.103 -0.439 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.353 -1.955 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.156 -2.866 -1.285 1.00 0.00 H new ATOM 0 HG SER A 82 22.233 -3.898 -1.293 1.00 0.00 H new ATOM 1257 N PHE A 83 22.944 -0.691 -3.450 1.00 0.00 N ATOM 1258 CA PHE A 83 24.214 -0.024 -3.713 1.00 0.00 C ATOM 1259 C PHE A 83 23.992 1.302 -4.435 1.00 0.00 C ATOM 1260 O PHE A 83 24.677 2.289 -4.167 1.00 0.00 O ATOM 1261 CB PHE A 83 25.125 -0.926 -4.547 1.00 0.00 C ATOM 1262 CG PHE A 83 26.189 -0.176 -5.296 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.288 0.344 -4.630 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.091 0.009 -6.666 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.267 1.036 -5.317 1.00 0.00 C ATOM 1266 CE2 PHE A 83 27.068 0.700 -7.358 1.00 0.00 C ATOM 1267 CZ PHE A 83 28.158 1.213 -6.683 1.00 0.00 C ATOM 0 H PHE A 83 22.733 -1.462 -4.084 1.00 0.00 H new ATOM 0 HA PHE A 83 24.694 0.180 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.600 -1.656 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.517 -1.485 -5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.380 0.207 -3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 83 25.241 -0.391 -7.199 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.117 1.438 -4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 83 26.979 0.838 -8.425 1.00 0.00 H new ATOM 0 HZ PHE A 83 28.924 1.751 -7.222 1.00 0.00 H new ATOM 1277 N SER A 84 23.031 1.315 -5.353 1.00 0.00 N ATOM 1278 CA SER A 84 22.722 2.517 -6.118 1.00 0.00 C ATOM 1279 C SER A 84 22.375 3.677 -5.190 1.00 0.00 C ATOM 1280 O SER A 84 22.953 4.760 -5.289 1.00 0.00 O ATOM 1281 CB SER A 84 21.561 2.252 -7.078 1.00 0.00 C ATOM 1282 OG SER A 84 21.998 1.539 -8.223 1.00 0.00 O ATOM 0 H SER A 84 22.453 0.507 -5.585 1.00 0.00 H new ATOM 0 HA SER A 84 23.606 2.788 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.784 1.684 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.114 3.198 -7.383 1.00 0.00 H new ATOM 0 HG SER A 84 21.228 1.120 -8.661 1.00 0.00 H new ATOM 1288 N ILE A 85 21.426 3.442 -4.290 1.00 0.00 N ATOM 1289 CA ILE A 85 21.002 4.466 -3.343 1.00 0.00 C ATOM 1290 C ILE A 85 22.105 4.776 -2.337 1.00 0.00 C ATOM 1291 O ILE A 85 22.322 5.932 -1.974 1.00 0.00 O ATOM 1292 CB ILE A 85 19.734 4.038 -2.582 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.294 5.142 -1.617 1.00 0.00 C ATOM 1294 CG2 ILE A 85 19.980 2.738 -1.831 1.00 0.00 C ATOM 1295 CD1 ILE A 85 17.926 4.910 -1.016 1.00 0.00 C ATOM 0 H ILE A 85 20.936 2.552 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 85 20.782 5.361 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 85 18.934 3.872 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.026 5.224 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.293 6.096 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.074 2.449 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.250 1.954 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.792 2.878 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.680 5.731 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.183 4.858 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.927 3.973 -0.459 1.00 0.00 H new ATOM 1307 N TRP A 86 22.800 3.736 -1.891 1.00 0.00 N ATOM 1308 CA TRP A 86 23.883 3.897 -0.928 1.00 0.00 C ATOM 1309 C TRP A 86 24.772 5.079 -1.300 1.00 0.00 C ATOM 1310 O TRP A 86 25.053 5.941 -0.467 1.00 0.00 O ATOM 1311 CB TRP A 86 24.720 2.618 -0.851 1.00 0.00 C ATOM 1312 CG TRP A 86 25.779 2.664 0.208 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.586 2.692 1.560 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.196 2.689 0.002 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.798 2.733 2.207 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.801 2.731 1.274 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.012 2.679 -1.132 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 29.183 2.764 1.440 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.384 2.711 -0.965 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.958 2.752 0.312 1.00 0.00 C ATOM 0 H TRP A 86 22.633 2.772 -2.181 1.00 0.00 H new ATOM 0 HA TRP A 86 23.440 4.093 0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.060 1.772 -0.659 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.191 2.442 -1.818 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.623 2.683 2.049 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.929 2.760 3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.579 2.647 -2.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.628 2.798 2.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.025 2.704 -1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 86 31.033 2.775 0.408 1.00 0.00 H new ATOM 1331 N ARG A 87 25.210 5.112 -2.554 1.00 0.00 N ATOM 1332 CA ARG A 87 26.068 6.189 -3.035 1.00 0.00 C ATOM 1333 C ARG A 87 25.340 7.529 -2.980 1.00 0.00 C ATOM 1334 O ARG A 87 25.947 8.567 -2.714 1.00 0.00 O ATOM 1335 CB ARG A 87 26.527 5.903 -4.466 1.00 0.00 C ATOM 1336 CG ARG A 87 27.387 4.657 -4.592 1.00 0.00 C ATOM 1337 CD ARG A 87 28.810 4.912 -4.120 1.00 0.00 C ATOM 1338 NE ARG A 87 29.587 5.662 -5.103 1.00 0.00 N ATOM 1339 CZ ARG A 87 30.915 5.665 -5.143 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.609 4.960 -4.261 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.550 6.373 -6.068 1.00 0.00 N ATOM 0 H ARG A 87 24.985 4.406 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 87 26.941 6.243 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 87 25.651 5.795 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.088 6.761 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 87 26.947 3.850 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.401 4.327 -5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.787 5.463 -3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.301 3.960 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 87 29.083 6.214 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.124 4.414 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 87 32.628 4.964 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.019 6.915 -6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.570 6.375 -6.098 1.00 0.00 H new ATOM 1355 N HIS A 88 24.036 7.499 -3.235 1.00 0.00 N ATOM 1356 CA HIS A 88 23.225 8.712 -3.215 1.00 0.00 C ATOM 1357 C HIS A 88 23.101 9.259 -1.796 1.00 0.00 C ATOM 1358 O HIS A 88 22.874 10.452 -1.599 1.00 0.00 O ATOM 1359 CB HIS A 88 21.836 8.431 -3.789 1.00 0.00 C ATOM 1360 CG HIS A 88 20.811 9.452 -3.402 1.00 0.00 C ATOM 1361 ND1 HIS A 88 20.744 10.705 -3.972 1.00 0.00 N ATOM 1362 CD2 HIS A 88 19.806 9.398 -2.496 1.00 0.00 C ATOM 1363 CE1 HIS A 88 19.743 11.379 -3.433 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.158 10.608 -2.535 1.00 0.00 N ATOM 0 H HIS A 88 23.518 6.649 -3.458 1.00 0.00 H new ATOM 0 HA HIS A 88 23.720 9.461 -3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 88 21.903 8.389 -4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.504 7.449 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.560 8.560 -1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.453 12.389 -3.684 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.355 10.869 -1.963 1.00 0.00 H new ATOM 1372 N GLN A 89 23.250 8.378 -0.812 1.00 0.00 N ATOM 1373 CA GLN A 89 23.153 8.773 0.588 1.00 0.00 C ATOM 1374 C GLN A 89 24.536 9.022 1.181 1.00 0.00 C ATOM 1375 O GLN A 89 24.675 9.714 2.189 1.00 0.00 O ATOM 1376 CB GLN A 89 22.425 7.697 1.395 1.00 0.00 C ATOM 1377 CG GLN A 89 21.053 7.345 0.841 1.00 0.00 C ATOM 1378 CD GLN A 89 20.384 6.222 1.610 1.00 0.00 C ATOM 1379 OE1 GLN A 89 20.794 5.065 1.523 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.347 6.560 2.368 1.00 0.00 N ATOM 0 H GLN A 89 23.438 7.386 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 89 22.584 9.701 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.039 6.797 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.315 8.038 2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.416 8.229 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.151 7.056 -0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.041 7.532 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.856 5.847 2.908 1.00 0.00 H new ATOM 1389 N VAL A 90 25.556 8.451 0.548 1.00 0.00 N ATOM 1390 CA VAL A 90 26.929 8.611 1.013 1.00 0.00 C ATOM 1391 C VAL A 90 27.632 9.743 0.271 1.00 0.00 C ATOM 1392 O VAL A 90 28.586 10.331 0.778 1.00 0.00 O ATOM 1393 CB VAL A 90 27.738 7.313 0.831 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.216 7.564 1.087 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.207 6.223 1.750 1.00 0.00 C ATOM 0 H VAL A 90 25.458 7.874 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 90 26.878 8.853 2.075 1.00 0.00 H new ATOM 0 HB VAL A 90 27.625 6.976 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.771 6.636 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.585 8.312 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.353 7.925 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.789 5.313 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.289 6.549 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.162 6.025 1.514 1.00 0.00 H new ATOM 1405 N GLU A 91 27.153 10.041 -0.933 1.00 0.00 N ATOM 1406 CA GLU A 91 27.736 11.103 -1.745 1.00 0.00 C ATOM 1407 C GLU A 91 27.005 12.423 -1.522 1.00 0.00 C ATOM 1408 O GLU A 91 27.626 13.482 -1.427 1.00 0.00 O ATOM 1409 CB GLU A 91 27.690 10.725 -3.227 1.00 0.00 C ATOM 1410 CG GLU A 91 28.572 9.540 -3.581 1.00 0.00 C ATOM 1411 CD GLU A 91 29.114 9.618 -4.996 1.00 0.00 C ATOM 1412 OE1 GLU A 91 28.429 9.135 -5.921 1.00 0.00 O ATOM 1413 OE2 GLU A 91 30.222 10.164 -5.177 1.00 0.00 O ATOM 0 H GLU A 91 26.364 9.563 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 91 28.775 11.229 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.661 10.496 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.996 11.585 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.405 9.489 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.001 8.619 -3.465 1.00 0.00 H new ATOM 1420 N VAL A 92 25.680 12.352 -1.439 1.00 0.00 N ATOM 1421 CA VAL A 92 24.862 13.541 -1.227 1.00 0.00 C ATOM 1422 C VAL A 92 24.650 13.803 0.260 1.00 0.00 C ATOM 1423 O VAL A 92 25.107 14.813 0.795 1.00 0.00 O ATOM 1424 CB VAL A 92 23.491 13.409 -1.915 1.00 0.00 C ATOM 1425 CG1 VAL A 92 22.722 14.718 -1.829 1.00 0.00 C ATOM 1426 CG2 VAL A 92 23.661 12.975 -3.363 1.00 0.00 C ATOM 0 H VAL A 92 25.150 11.484 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 92 25.401 14.380 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 92 22.916 12.643 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 92 21.756 14.605 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 92 22.568 14.982 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 92 23.290 15.507 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 92 22.682 12.887 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 92 24.255 13.716 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.168 12.011 -3.397 1.00 0.00 H new ATOM 1436 N HIS A 93 23.952 12.886 0.923 1.00 0.00 N ATOM 1437 CA HIS A 93 23.680 13.017 2.350 1.00 0.00 C ATOM 1438 C HIS A 93 24.921 12.686 3.173 1.00 0.00 C ATOM 1439 O HIS A 93 25.059 13.130 4.312 1.00 0.00 O ATOM 1440 CB HIS A 93 22.525 12.102 2.756 1.00 0.00 C ATOM 1441 CG HIS A 93 21.241 12.405 2.047 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.299 13.284 2.538 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.747 11.943 0.875 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.280 13.348 1.700 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.527 12.543 0.682 1.00 0.00 N ATOM 0 H HIS A 93 23.565 12.045 0.495 1.00 0.00 H new ATOM 0 HA HIS A 93 23.401 14.052 2.548 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.805 11.068 2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.366 12.188 3.831 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.224 11.234 0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.396 13.955 1.826 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.912 12.392 -0.117 1.00 0.00 H new ATOM 1453 N ASN A 94 25.821 11.902 2.589 1.00 0.00 N ATOM 1454 CA ASN A 94 27.050 11.510 3.269 1.00 0.00 C ATOM 1455 C ASN A 94 26.744 10.871 4.620 1.00 0.00 C ATOM 1456 O ASN A 94 27.257 11.303 5.652 1.00 0.00 O ATOM 1457 CB ASN A 94 27.961 12.724 3.461 1.00 0.00 C ATOM 1458 CG ASN A 94 29.195 12.397 4.279 1.00 0.00 C ATOM 1459 OD1 ASN A 94 30.059 11.637 3.844 1.00 0.00 O ATOM 1460 ND2 ASN A 94 29.282 12.972 5.473 1.00 0.00 N ATOM 0 H ASN A 94 25.722 11.526 1.646 1.00 0.00 H new ATOM 0 HA ASN A 94 27.561 10.775 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.265 13.104 2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.402 13.520 3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 94 30.089 12.790 6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 94 28.542 13.596 5.794 1.00 0.00 H new ATOM 1467 N GLN A 95 25.904 9.840 4.605 1.00 0.00 N ATOM 1468 CA GLN A 95 25.530 9.143 5.829 1.00 0.00 C ATOM 1469 C GLN A 95 26.015 7.697 5.802 1.00 0.00 C ATOM 1470 O GLN A 95 25.216 6.765 5.724 1.00 0.00 O ATOM 1471 CB GLN A 95 24.013 9.180 6.020 1.00 0.00 C ATOM 1472 CG GLN A 95 23.530 10.377 6.823 1.00 0.00 C ATOM 1473 CD GLN A 95 23.649 10.162 8.319 1.00 0.00 C ATOM 1474 OE1 GLN A 95 24.418 9.316 8.777 1.00 0.00 O ATOM 1475 NE2 GLN A 95 22.888 10.930 9.090 1.00 0.00 N ATOM 0 H GLN A 95 25.470 9.470 3.759 1.00 0.00 H new ATOM 0 HA GLN A 95 26.007 9.652 6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.532 9.191 5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.696 8.265 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.107 11.257 6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.490 10.583 6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.265 11.618 8.668 1.00 0.00 H new ATOM 0 HE22 GLN A 95 22.927 10.832 10.105 1.00 0.00 H new ATOM 1484 N ASN A 96 27.331 7.518 5.866 1.00 0.00 N ATOM 1485 CA ASN A 96 27.923 6.185 5.847 1.00 0.00 C ATOM 1486 C ASN A 96 28.072 5.636 7.263 1.00 0.00 C ATOM 1487 O ASN A 96 29.080 5.016 7.596 1.00 0.00 O ATOM 1488 CB ASN A 96 29.287 6.220 5.156 1.00 0.00 C ATOM 1489 CG ASN A 96 30.388 6.715 6.074 1.00 0.00 C ATOM 1490 OD1 ASN A 96 31.163 5.926 6.614 1.00 0.00 O ATOM 1491 ND2 ASN A 96 30.462 8.029 6.254 1.00 0.00 N ATOM 0 H ASN A 96 28.007 8.279 5.931 1.00 0.00 H new ATOM 0 HA ASN A 96 27.257 5.527 5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 96 29.537 5.220 4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 96 29.231 6.866 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 96 31.183 8.421 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 96 29.798 8.646 5.786 1.00 0.00 H new