USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1001 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 24 GLN : amide:sc= -0.107 X(o=-0.033,f=-0.011) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.0731 X(o=-0.033,f=-0.24) USER MOD Single : A 10 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 73:sc= 0.915 USER MOD Single : A 19 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 22 THR OG1 : rot -23:sc= 0.313 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.0685 USER MOD Single : A 29 THR OG1 : rot -82:sc= 0.565 USER MOD Single : A 32 THR OG1 : rot 44:sc= 1.16 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.0536 (180deg=-0.572) USER MOD Single : A 43 THR OG1 : rot 46:sc= 0.0441 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -3.92! (180deg=-4.76!) USER MOD Single : A 48 THR OG1 : rot 60:sc= -0.157 USER MOD Single : A 54 THR OG1 : rot 76:sc= 0.291 USER MOD Single : A 58 GLN : amide:sc= -0.801 K(o=-0.8,f=-0.031) USER MOD Single : A 60 TYR OH : rot 91:sc= 0.807 USER MOD Single : A 61 SER OG : rot 94:sc= 0.922 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.126) USER MOD Single : A 67 THR OG1 : rot 69:sc= 1.1 USER MOD Single : A 73 THR OG1 : rot -123:sc= -1.07 USER MOD Single : A 75 GLN : amide:sc= -3.94! K(o=-3.9!,f=-0.24) USER MOD Single : A 76 GLN : amide:sc= -0.246 X(o=-0.25,f=0.088) USER MOD Single : A 78 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.025) USER MOD Single : A 80 HIS : no HD1:sc= -5.58! K(o=-5.6!,f=-4) USER MOD Single : A 81 LYS NZ :NH3+ -134:sc= 0.51 (180deg=-1.59) USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -0.865 (180deg=-2.28!) USER MOD Single : A 93 ASN : amide:sc= -2.41! C(o=-2.4!,f=-6.6!) USER MOD Single : A 101 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.21) USER MOD Single : A 102 SER OG : rot -10:sc= 0.65! USER MOD Single : A 106 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-1.03) USER MOD Single : A 110 GLN : amide:sc= -0.959 K(o=-0.96,f=-0.014) USER MOD Single : A 111 SER OG : rot -5:sc= -0.0865 USER MOD Single : A 112 THR OG1 : rot 162:sc= 0.0728 USER MOD Single : A 115 ASN : amide:sc= -0.743 K(o=-0.74,f=-0.022) USER MOD Single : A 121 LYS NZ :NH3+ 146:sc= -0.253 (180deg=-1.29!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00997 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -172:sc= -2.24 (180deg=-2.36) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.750 5.561 1.696 1.00 0.59 N ATOM 103 CA ASP A 8 -16.578 5.990 2.511 1.00 0.40 C ATOM 104 C ASP A 8 -15.682 6.904 1.673 1.00 0.38 C ATOM 105 O ASP A 8 -15.389 6.623 0.528 1.00 0.52 O ATOM 106 CB ASP A 8 -15.784 4.758 2.949 1.00 0.53 C ATOM 107 CG ASP A 8 -15.161 5.014 4.322 1.00 0.60 C ATOM 108 OD1 ASP A 8 -15.902 5.047 5.290 1.00 1.55 O ATOM 109 OD2 ASP A 8 -13.952 5.173 4.383 1.00 1.14 O ATOM 0 HA ASP A 8 -16.925 6.530 3.392 1.00 0.40 H new ATOM 0 HB2 ASP A 8 -16.438 3.887 2.991 1.00 0.53 H new ATOM 0 HB3 ASP A 8 -15.005 4.536 2.220 1.00 0.53 H new ATOM 114 N ILE A 9 -15.245 7.998 2.235 1.00 0.29 N ATOM 115 CA ILE A 9 -14.368 8.929 1.470 1.00 0.41 C ATOM 116 C ILE A 9 -12.909 8.494 1.622 1.00 0.33 C ATOM 117 O ILE A 9 -12.063 8.833 0.817 1.00 0.44 O ATOM 118 CB ILE A 9 -14.537 10.349 2.011 1.00 0.50 C ATOM 119 CG1 ILE A 9 -13.607 11.298 1.249 1.00 0.66 C ATOM 120 CG2 ILE A 9 -14.180 10.375 3.498 1.00 0.40 C ATOM 121 CD1 ILE A 9 -14.257 12.680 1.152 1.00 1.03 C ATOM 0 H ILE A 9 -15.457 8.287 3.190 1.00 0.29 H new ATOM 0 HA ILE A 9 -14.646 8.907 0.416 1.00 0.41 H new ATOM 0 HB ILE A 9 -15.571 10.667 1.880 1.00 0.50 H new ATOM 0 HG12 ILE A 9 -12.647 11.371 1.759 1.00 0.66 H new ATOM 0 HG13 ILE A 9 -13.409 10.907 0.251 1.00 0.66 H new ATOM 0 HG21 ILE A 9 -14.301 11.387 3.883 1.00 0.40 H new ATOM 0 HG22 ILE A 9 -14.839 9.699 4.042 1.00 0.40 H new ATOM 0 HG23 ILE A 9 -13.146 10.058 3.629 1.00 0.40 H new ATOM 0 HD11 ILE A 9 -13.596 13.356 0.610 1.00 1.03 H new ATOM 0 HD12 ILE A 9 -15.206 12.599 0.623 1.00 1.03 H new ATOM 0 HD13 ILE A 9 -14.433 13.071 2.154 1.00 1.03 H new ATOM 133 N THR A 10 -12.607 7.746 2.647 1.00 0.13 N ATOM 134 CA THR A 10 -11.204 7.289 2.850 1.00 0.06 C ATOM 135 C THR A 10 -10.720 6.556 1.599 1.00 0.15 C ATOM 136 O THR A 10 -9.611 6.751 1.142 1.00 0.23 O ATOM 137 CB THR A 10 -11.144 6.342 4.050 1.00 0.11 C ATOM 138 OG1 THR A 10 -11.996 6.828 5.078 1.00 0.06 O ATOM 139 CG2 THR A 10 -9.708 6.263 4.569 1.00 0.20 C ATOM 0 H THR A 10 -13.272 7.431 3.353 1.00 0.13 H new ATOM 0 HA THR A 10 -10.565 8.152 3.036 1.00 0.06 H new ATOM 0 HB THR A 10 -11.472 5.348 3.746 1.00 0.11 H new ATOM 0 HG1 THR A 10 -12.852 6.352 5.045 1.00 0.06 H new ATOM 0 HG21 THR A 10 -9.667 5.588 5.424 1.00 0.20 H new ATOM 0 HG22 THR A 10 -9.056 5.889 3.780 1.00 0.20 H new ATOM 0 HG23 THR A 10 -9.376 7.255 4.874 1.00 0.20 H new ATOM 147 N LEU A 11 -11.542 5.711 1.041 1.00 0.14 N ATOM 148 CA LEU A 11 -11.128 4.964 -0.180 1.00 0.22 C ATOM 149 C LEU A 11 -10.872 5.953 -1.320 1.00 0.23 C ATOM 150 O LEU A 11 -10.162 5.659 -2.261 1.00 0.28 O ATOM 151 CB LEU A 11 -12.244 3.995 -0.584 1.00 0.32 C ATOM 152 CG LEU A 11 -12.256 2.792 0.366 1.00 0.68 C ATOM 153 CD1 LEU A 11 -13.626 2.114 0.307 1.00 0.60 C ATOM 154 CD2 LEU A 11 -11.180 1.778 -0.046 1.00 0.91 C ATOM 0 H LEU A 11 -12.483 5.505 1.378 1.00 0.14 H new ATOM 0 HA LEU A 11 -10.216 4.404 0.025 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -13.208 4.503 -0.554 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -12.093 3.659 -1.610 1.00 0.32 H new ATOM 0 HG LEU A 11 -12.052 3.141 1.378 1.00 0.68 H new ATOM 0 HD11 LEU A 11 -13.638 1.258 0.982 1.00 0.60 H new ATOM 0 HD12 LEU A 11 -14.396 2.824 0.608 1.00 0.60 H new ATOM 0 HD13 LEU A 11 -13.821 1.776 -0.711 1.00 0.60 H new ATOM 0 HD21 LEU A 11 -11.200 0.929 0.637 1.00 0.91 H new ATOM 0 HD22 LEU A 11 -11.376 1.432 -1.061 1.00 0.91 H new ATOM 0 HD23 LEU A 11 -10.199 2.252 -0.007 1.00 0.91 H new ATOM 166 N GLN A 12 -11.445 7.122 -1.242 1.00 0.23 N ATOM 167 CA GLN A 12 -11.233 8.128 -2.321 1.00 0.30 C ATOM 168 C GLN A 12 -9.844 8.751 -2.175 1.00 0.26 C ATOM 169 O GLN A 12 -8.977 8.561 -3.005 1.00 0.27 O ATOM 170 CB GLN A 12 -12.298 9.222 -2.215 1.00 0.35 C ATOM 171 CG GLN A 12 -12.318 10.043 -3.505 1.00 0.43 C ATOM 172 CD GLN A 12 -13.342 11.172 -3.377 1.00 0.43 C ATOM 173 OE1 GLN A 12 -13.173 12.073 -2.579 1.00 0.70 O ATOM 174 NE2 GLN A 12 -14.405 11.162 -4.134 1.00 1.54 N ATOM 0 H GLN A 12 -12.050 7.424 -0.479 1.00 0.23 H new ATOM 0 HA GLN A 12 -11.310 7.639 -3.292 1.00 0.30 H new ATOM 0 HB2 GLN A 12 -13.277 8.775 -2.041 1.00 0.35 H new ATOM 0 HB3 GLN A 12 -12.086 9.869 -1.363 1.00 0.35 H new ATOM 0 HG2 GLN A 12 -11.328 10.456 -3.701 1.00 0.43 H new ATOM 0 HG3 GLN A 12 -12.570 9.404 -4.351 1.00 0.43 H new ATOM 0 HE21 GLN A 12 -14.547 10.406 -4.804 1.00 1.54 H new ATOM 0 HE22 GLN A 12 -15.094 11.910 -4.056 1.00 1.54 H new ATOM 183 N GLU A 13 -9.624 9.496 -1.126 1.00 0.24 N ATOM 184 CA GLU A 13 -8.290 10.130 -0.931 1.00 0.24 C ATOM 185 C GLU A 13 -7.199 9.061 -1.025 1.00 0.18 C ATOM 186 O GLU A 13 -6.058 9.349 -1.330 1.00 0.18 O ATOM 187 CB GLU A 13 -8.237 10.802 0.445 1.00 0.26 C ATOM 188 CG GLU A 13 -8.018 9.745 1.529 1.00 0.19 C ATOM 189 CD GLU A 13 -6.518 9.526 1.732 1.00 1.34 C ATOM 190 OE1 GLU A 13 -5.831 10.493 2.018 1.00 1.94 O ATOM 191 OE2 GLU A 13 -6.081 8.395 1.599 1.00 2.18 O ATOM 0 H GLU A 13 -10.310 9.693 -0.397 1.00 0.24 H new ATOM 0 HA GLU A 13 -8.128 10.881 -1.704 1.00 0.24 H new ATOM 0 HB2 GLU A 13 -7.431 11.535 0.471 1.00 0.26 H new ATOM 0 HB3 GLU A 13 -9.165 11.342 0.632 1.00 0.26 H new ATOM 0 HG2 GLU A 13 -8.479 10.066 2.463 1.00 0.19 H new ATOM 0 HG3 GLU A 13 -8.497 8.809 1.242 1.00 0.19 H new ATOM 198 N ILE A 14 -7.541 7.827 -0.768 1.00 0.14 N ATOM 199 CA ILE A 14 -6.525 6.741 -0.845 1.00 0.09 C ATOM 200 C ILE A 14 -6.124 6.525 -2.306 1.00 0.12 C ATOM 201 O ILE A 14 -4.964 6.594 -2.658 1.00 0.12 O ATOM 202 CB ILE A 14 -7.117 5.447 -0.282 1.00 0.11 C ATOM 203 CG1 ILE A 14 -6.990 5.450 1.243 1.00 0.15 C ATOM 204 CG2 ILE A 14 -6.359 4.246 -0.854 1.00 0.13 C ATOM 205 CD1 ILE A 14 -7.843 4.325 1.830 1.00 0.16 C ATOM 0 H ILE A 14 -8.480 7.525 -0.508 1.00 0.14 H new ATOM 0 HA ILE A 14 -5.647 7.021 -0.263 1.00 0.09 H new ATOM 0 HB ILE A 14 -8.169 5.378 -0.560 1.00 0.11 H new ATOM 0 HG12 ILE A 14 -5.947 5.318 1.532 1.00 0.15 H new ATOM 0 HG13 ILE A 14 -7.312 6.411 1.643 1.00 0.15 H new ATOM 0 HG21 ILE A 14 -6.781 3.325 -0.453 1.00 0.13 H new ATOM 0 HG22 ILE A 14 -6.448 4.243 -1.940 1.00 0.13 H new ATOM 0 HG23 ILE A 14 -5.307 4.314 -0.577 1.00 0.13 H new ATOM 0 HD11 ILE A 14 -7.752 4.328 2.916 1.00 0.16 H new ATOM 0 HD12 ILE A 14 -8.886 4.477 1.553 1.00 0.16 H new ATOM 0 HD13 ILE A 14 -7.500 3.367 1.440 1.00 0.16 H new ATOM 217 N ILE A 15 -7.076 6.264 -3.160 1.00 0.17 N ATOM 218 CA ILE A 15 -6.748 6.046 -4.597 1.00 0.21 C ATOM 219 C ILE A 15 -5.878 7.198 -5.102 1.00 0.20 C ATOM 220 O ILE A 15 -4.849 6.989 -5.716 1.00 0.22 O ATOM 221 CB ILE A 15 -8.042 5.990 -5.411 1.00 0.25 C ATOM 222 CG1 ILE A 15 -8.743 4.652 -5.160 1.00 0.31 C ATOM 223 CG2 ILE A 15 -7.716 6.121 -6.900 1.00 0.28 C ATOM 224 CD1 ILE A 15 -10.172 4.716 -5.701 1.00 0.42 C ATOM 0 H ILE A 15 -8.066 6.192 -2.925 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.207 5.106 -4.708 1.00 0.21 H new ATOM 0 HB ILE A 15 -8.696 6.808 -5.109 1.00 0.25 H new ATOM 0 HG12 ILE A 15 -8.195 3.845 -5.646 1.00 0.31 H new ATOM 0 HG13 ILE A 15 -8.756 4.431 -4.093 1.00 0.31 H new ATOM 0 HG21 ILE A 15 -8.638 6.081 -7.479 1.00 0.28 H new ATOM 0 HG22 ILE A 15 -7.215 7.072 -7.080 1.00 0.28 H new ATOM 0 HG23 ILE A 15 -7.062 5.303 -7.203 1.00 0.28 H new ATOM 0 HD11 ILE A 15 -10.672 3.764 -5.523 1.00 0.42 H new ATOM 0 HD12 ILE A 15 -10.717 5.512 -5.195 1.00 0.42 H new ATOM 0 HD13 ILE A 15 -10.147 4.918 -6.772 1.00 0.42 H new ATOM 236 N LYS A 16 -6.279 8.413 -4.848 1.00 0.18 N ATOM 237 CA LYS A 16 -5.475 9.577 -5.313 1.00 0.17 C ATOM 238 C LYS A 16 -4.029 9.422 -4.835 1.00 0.18 C ATOM 239 O LYS A 16 -3.093 9.674 -5.567 1.00 0.19 O ATOM 240 CB LYS A 16 -6.065 10.867 -4.742 1.00 0.16 C ATOM 241 CG LYS A 16 -6.293 11.871 -5.875 1.00 0.82 C ATOM 242 CD LYS A 16 -6.665 13.232 -5.285 1.00 1.10 C ATOM 243 CE LYS A 16 -7.927 13.091 -4.432 1.00 0.54 C ATOM 244 NZ LYS A 16 -8.613 14.412 -4.337 1.00 0.99 N ATOM 0 H LYS A 16 -7.130 8.650 -4.338 1.00 0.18 H new ATOM 0 HA LYS A 16 -5.496 9.620 -6.402 1.00 0.17 H new ATOM 0 HB2 LYS A 16 -7.006 10.655 -4.235 1.00 0.16 H new ATOM 0 HB3 LYS A 16 -5.390 11.290 -3.998 1.00 0.16 H new ATOM 0 HG2 LYS A 16 -5.392 11.960 -6.483 1.00 0.82 H new ATOM 0 HG3 LYS A 16 -7.088 11.519 -6.533 1.00 0.82 H new ATOM 0 HD2 LYS A 16 -5.844 13.614 -4.678 1.00 1.10 H new ATOM 0 HD3 LYS A 16 -6.833 13.953 -6.085 1.00 1.10 H new ATOM 0 HE2 LYS A 16 -8.596 12.352 -4.873 1.00 0.54 H new ATOM 0 HE3 LYS A 16 -7.668 12.731 -3.436 1.00 0.54 H new ATOM 0 HZ1 LYS A 16 -9.471 14.317 -3.757 1.00 0.99 H new ATOM 0 HZ2 LYS A 16 -7.973 15.105 -3.898 1.00 0.99 H new ATOM 0 HZ3 LYS A 16 -8.873 14.737 -5.290 1.00 0.99 H new ATOM 258 N THR A 17 -3.841 9.010 -3.611 1.00 0.18 N ATOM 259 CA THR A 17 -2.455 8.840 -3.088 1.00 0.19 C ATOM 260 C THR A 17 -1.702 7.835 -3.961 1.00 0.20 C ATOM 261 O THR A 17 -0.597 8.085 -4.401 1.00 0.21 O ATOM 262 CB THR A 17 -2.512 8.326 -1.648 1.00 0.21 C ATOM 263 OG1 THR A 17 -3.263 9.232 -0.852 1.00 0.21 O ATOM 264 CG2 THR A 17 -1.093 8.208 -1.091 1.00 0.31 C ATOM 0 H THR A 17 -4.585 8.784 -2.951 1.00 0.18 H new ATOM 0 HA THR A 17 -1.937 9.799 -3.109 1.00 0.19 H new ATOM 0 HB THR A 17 -2.989 7.346 -1.630 1.00 0.21 H new ATOM 0 HG1 THR A 17 -4.214 9.151 -1.074 1.00 0.21 H new ATOM 0 HG21 THR A 17 -1.134 7.842 -0.065 1.00 0.31 H new ATOM 0 HG22 THR A 17 -0.519 7.512 -1.702 1.00 0.31 H new ATOM 0 HG23 THR A 17 -0.613 9.186 -1.108 1.00 0.31 H new ATOM 272 N LEU A 18 -2.291 6.698 -4.216 1.00 0.20 N ATOM 273 CA LEU A 18 -1.607 5.679 -5.060 1.00 0.20 C ATOM 274 C LEU A 18 -1.054 6.352 -6.318 1.00 0.23 C ATOM 275 O LEU A 18 0.084 6.147 -6.693 1.00 0.26 O ATOM 276 CB LEU A 18 -2.607 4.592 -5.462 1.00 0.21 C ATOM 277 CG LEU A 18 -3.282 4.027 -4.210 1.00 0.20 C ATOM 278 CD1 LEU A 18 -4.284 2.944 -4.614 1.00 0.30 C ATOM 279 CD2 LEU A 18 -2.223 3.420 -3.287 1.00 0.22 C ATOM 0 H LEU A 18 -3.215 6.432 -3.876 1.00 0.20 H new ATOM 0 HA LEU A 18 -0.790 5.229 -4.496 1.00 0.20 H new ATOM 0 HB2 LEU A 18 -3.357 5.005 -6.137 1.00 0.21 H new ATOM 0 HB3 LEU A 18 -2.096 3.795 -6.003 1.00 0.21 H new ATOM 0 HG LEU A 18 -3.803 4.829 -3.688 1.00 0.20 H new ATOM 0 HD11 LEU A 18 -4.764 2.542 -3.722 1.00 0.30 H new ATOM 0 HD12 LEU A 18 -5.040 3.375 -5.271 1.00 0.30 H new ATOM 0 HD13 LEU A 18 -3.762 2.143 -5.138 1.00 0.30 H new ATOM 0 HD21 LEU A 18 -2.705 3.018 -2.396 1.00 0.22 H new ATOM 0 HD22 LEU A 18 -1.701 2.619 -3.810 1.00 0.22 H new ATOM 0 HD23 LEU A 18 -1.508 4.190 -2.997 1.00 0.22 H new ATOM 291 N ASN A 19 -1.850 7.153 -6.971 1.00 0.26 N ATOM 292 CA ASN A 19 -1.368 7.839 -8.203 1.00 0.30 C ATOM 293 C ASN A 19 -0.113 8.653 -7.876 1.00 0.30 C ATOM 294 O ASN A 19 0.874 8.600 -8.582 1.00 0.38 O ATOM 295 CB ASN A 19 -2.459 8.774 -8.728 1.00 0.34 C ATOM 296 CG ASN A 19 -3.705 7.957 -9.078 1.00 0.25 C ATOM 297 OD1 ASN A 19 -3.786 7.377 -10.142 1.00 0.92 O ATOM 298 ND2 ASN A 19 -4.688 7.889 -8.221 1.00 1.25 N ATOM 0 H ASN A 19 -2.812 7.362 -6.705 1.00 0.26 H new ATOM 0 HA ASN A 19 -1.131 7.095 -8.963 1.00 0.30 H new ATOM 0 HB2 ASN A 19 -2.702 9.525 -7.976 1.00 0.34 H new ATOM 0 HB3 ASN A 19 -2.102 9.309 -9.608 1.00 0.34 H new ATOM 0 HD21 ASN A 19 -5.524 7.349 -8.445 1.00 1.25 H new ATOM 0 HD22 ASN A 19 -4.620 8.376 -7.327 1.00 1.25 H new ATOM 305 N SER A 20 -0.144 9.403 -6.808 1.00 0.23 N ATOM 306 CA SER A 20 1.047 10.217 -6.438 1.00 0.24 C ATOM 307 C SER A 20 2.300 9.340 -6.487 1.00 0.23 C ATOM 308 O SER A 20 3.330 9.738 -6.992 1.00 0.21 O ATOM 309 CB SER A 20 0.866 10.770 -5.023 1.00 0.34 C ATOM 310 OG SER A 20 -0.420 11.365 -4.913 1.00 0.64 O ATOM 0 H SER A 20 -0.941 9.487 -6.177 1.00 0.23 H new ATOM 0 HA SER A 20 1.155 11.043 -7.140 1.00 0.24 H new ATOM 0 HB2 SER A 20 0.973 9.970 -4.291 1.00 0.34 H new ATOM 0 HB3 SER A 20 1.640 11.506 -4.806 1.00 0.34 H new ATOM 0 HG SER A 20 -0.540 11.719 -4.007 1.00 0.64 H new ATOM 316 N LEU A 21 2.219 8.146 -5.965 1.00 0.29 N ATOM 317 CA LEU A 21 3.405 7.245 -5.982 1.00 0.35 C ATOM 318 C LEU A 21 3.703 6.823 -7.423 1.00 0.31 C ATOM 319 O LEU A 21 4.819 6.931 -7.893 1.00 0.40 O ATOM 320 CB LEU A 21 3.114 6.002 -5.137 1.00 0.42 C ATOM 321 CG LEU A 21 2.704 6.426 -3.724 1.00 0.28 C ATOM 322 CD1 LEU A 21 2.392 5.185 -2.886 1.00 0.36 C ATOM 323 CD2 LEU A 21 3.845 7.206 -3.067 1.00 0.79 C ATOM 0 H LEU A 21 1.384 7.757 -5.528 1.00 0.29 H new ATOM 0 HA LEU A 21 4.267 7.770 -5.571 1.00 0.35 H new ATOM 0 HB2 LEU A 21 2.319 5.415 -5.597 1.00 0.42 H new ATOM 0 HB3 LEU A 21 3.997 5.364 -5.094 1.00 0.42 H new ATOM 0 HG LEU A 21 1.819 7.059 -3.783 1.00 0.28 H new ATOM 0 HD11 LEU A 21 2.100 5.489 -1.881 1.00 0.36 H new ATOM 0 HD12 LEU A 21 1.576 4.630 -3.348 1.00 0.36 H new ATOM 0 HD13 LEU A 21 3.277 4.551 -2.831 1.00 0.36 H new ATOM 0 HD21 LEU A 21 3.549 7.506 -2.062 1.00 0.79 H new ATOM 0 HD22 LEU A 21 4.732 6.575 -3.011 1.00 0.79 H new ATOM 0 HD23 LEU A 21 4.068 8.093 -3.660 1.00 0.79 H new ATOM 335 N THR A 22 2.716 6.342 -8.128 1.00 0.24 N ATOM 336 CA THR A 22 2.946 5.917 -9.537 1.00 0.22 C ATOM 337 C THR A 22 3.722 7.008 -10.277 1.00 0.24 C ATOM 338 O THR A 22 4.370 6.756 -11.274 1.00 0.58 O ATOM 339 CB THR A 22 1.601 5.686 -10.229 1.00 0.14 C ATOM 340 OG1 THR A 22 0.857 6.897 -10.229 1.00 0.09 O ATOM 341 CG2 THR A 22 0.819 4.605 -9.483 1.00 0.09 C ATOM 0 H THR A 22 1.761 6.225 -7.789 1.00 0.24 H new ATOM 0 HA THR A 22 3.521 4.991 -9.548 1.00 0.22 H new ATOM 0 HB THR A 22 1.771 5.363 -11.256 1.00 0.14 H new ATOM 0 HG1 THR A 22 1.179 7.478 -9.509 1.00 0.09 H new ATOM 0 HG21 THR A 22 -0.139 4.442 -9.977 1.00 0.09 H new ATOM 0 HG22 THR A 22 1.390 3.677 -9.484 1.00 0.09 H new ATOM 0 HG23 THR A 22 0.647 4.924 -8.455 1.00 0.09 H new ATOM 349 N GLU A 23 3.661 8.221 -9.799 1.00 0.24 N ATOM 350 CA GLU A 23 4.395 9.327 -10.475 1.00 0.20 C ATOM 351 C GLU A 23 5.858 9.318 -10.028 1.00 0.19 C ATOM 352 O GLU A 23 6.749 9.666 -10.777 1.00 0.18 O ATOM 353 CB GLU A 23 3.755 10.666 -10.103 1.00 0.17 C ATOM 354 CG GLU A 23 2.926 11.181 -11.280 1.00 0.76 C ATOM 355 CD GLU A 23 2.050 12.347 -10.818 1.00 0.37 C ATOM 356 OE1 GLU A 23 2.561 13.203 -10.115 1.00 1.30 O ATOM 357 OE2 GLU A 23 0.883 12.363 -11.174 1.00 1.18 O ATOM 0 H GLU A 23 3.134 8.493 -8.969 1.00 0.24 H new ATOM 0 HA GLU A 23 4.346 9.189 -11.555 1.00 0.20 H new ATOM 0 HB2 GLU A 23 3.122 10.547 -9.224 1.00 0.17 H new ATOM 0 HB3 GLU A 23 4.527 11.390 -9.844 1.00 0.17 H new ATOM 0 HG2 GLU A 23 3.583 11.504 -12.087 1.00 0.76 H new ATOM 0 HG3 GLU A 23 2.303 10.380 -11.678 1.00 0.76 H new ATOM 364 N GLN A 24 6.111 8.921 -8.811 1.00 0.20 N ATOM 365 CA GLN A 24 7.516 8.889 -8.315 1.00 0.21 C ATOM 366 C GLN A 24 8.159 7.554 -8.695 1.00 0.30 C ATOM 367 O GLN A 24 7.488 6.550 -8.833 1.00 0.39 O ATOM 368 CB GLN A 24 7.523 9.044 -6.792 1.00 0.21 C ATOM 369 CG GLN A 24 6.710 10.278 -6.400 1.00 0.64 C ATOM 370 CD GLN A 24 7.571 11.204 -5.539 1.00 0.51 C ATOM 371 OE1 GLN A 24 8.225 12.093 -6.048 1.00 1.27 O ATOM 372 NE2 GLN A 24 7.598 11.034 -4.245 1.00 2.00 N ATOM 0 H GLN A 24 5.406 8.618 -8.139 1.00 0.20 H new ATOM 0 HA GLN A 24 8.080 9.706 -8.765 1.00 0.21 H new ATOM 0 HB2 GLN A 24 7.102 8.154 -6.324 1.00 0.21 H new ATOM 0 HB3 GLN A 24 8.547 9.140 -6.431 1.00 0.21 H new ATOM 0 HG2 GLN A 24 6.373 10.804 -7.294 1.00 0.64 H new ATOM 0 HG3 GLN A 24 5.817 9.979 -5.851 1.00 0.64 H new ATOM 0 HE21 GLN A 24 7.049 10.288 -3.817 1.00 2.00 H new ATOM 0 HE22 GLN A 24 8.168 11.647 -3.662 1.00 2.00 H new ATOM 381 N LYS A 25 9.453 7.534 -8.866 1.00 0.37 N ATOM 382 CA LYS A 25 10.135 6.262 -9.239 1.00 0.44 C ATOM 383 C LYS A 25 11.530 6.225 -8.611 1.00 0.43 C ATOM 384 O LYS A 25 12.305 7.151 -8.737 1.00 0.83 O ATOM 385 CB LYS A 25 10.262 6.179 -10.762 1.00 0.65 C ATOM 386 CG LYS A 25 8.883 6.368 -11.400 1.00 0.89 C ATOM 387 CD LYS A 25 8.964 6.048 -12.894 1.00 0.96 C ATOM 388 CE LYS A 25 8.195 4.757 -13.183 1.00 1.31 C ATOM 389 NZ LYS A 25 8.460 4.325 -14.583 1.00 2.14 N ATOM 0 H LYS A 25 10.067 8.342 -8.764 1.00 0.37 H new ATOM 0 HA LYS A 25 9.550 5.418 -8.875 1.00 0.44 H new ATOM 0 HB2 LYS A 25 10.949 6.944 -11.123 1.00 0.65 H new ATOM 0 HB3 LYS A 25 10.679 5.214 -11.051 1.00 0.65 H new ATOM 0 HG2 LYS A 25 8.155 5.717 -10.917 1.00 0.89 H new ATOM 0 HG3 LYS A 25 8.541 7.393 -11.255 1.00 0.89 H new ATOM 0 HD2 LYS A 25 8.547 6.870 -13.476 1.00 0.96 H new ATOM 0 HD3 LYS A 25 10.005 5.939 -13.197 1.00 0.96 H new ATOM 0 HE2 LYS A 25 8.499 3.976 -12.486 1.00 1.31 H new ATOM 0 HE3 LYS A 25 7.127 4.917 -13.036 1.00 1.31 H new ATOM 0 HZ1 LYS A 25 7.938 3.448 -14.780 1.00 2.14 H new ATOM 0 HZ2 LYS A 25 8.149 5.068 -15.240 1.00 2.14 H new ATOM 0 HZ3 LYS A 25 9.479 4.157 -14.707 1.00 2.14 H new ATOM 403 N THR A 26 11.854 5.156 -7.934 1.00 0.43 N ATOM 404 CA THR A 26 13.197 5.050 -7.296 1.00 0.40 C ATOM 405 C THR A 26 13.672 3.597 -7.366 1.00 0.39 C ATOM 406 O THR A 26 12.938 2.715 -7.766 1.00 0.42 O ATOM 407 CB THR A 26 13.104 5.487 -5.832 1.00 0.29 C ATOM 408 OG1 THR A 26 12.693 4.386 -5.037 1.00 0.31 O ATOM 409 CG2 THR A 26 12.087 6.622 -5.699 1.00 0.29 C ATOM 0 H THR A 26 11.245 4.350 -7.795 1.00 0.43 H new ATOM 0 HA THR A 26 13.904 5.693 -7.820 1.00 0.40 H new ATOM 0 HB THR A 26 14.080 5.836 -5.494 1.00 0.29 H new ATOM 0 HG1 THR A 26 12.188 4.712 -4.263 1.00 0.31 H new ATOM 0 HG21 THR A 26 12.022 6.932 -4.656 1.00 0.29 H new ATOM 0 HG22 THR A 26 12.403 7.468 -6.310 1.00 0.29 H new ATOM 0 HG23 THR A 26 11.110 6.276 -6.036 1.00 0.29 H new ATOM 417 N LEU A 27 14.892 3.336 -6.982 1.00 0.41 N ATOM 418 CA LEU A 27 15.399 1.936 -7.033 1.00 0.41 C ATOM 419 C LEU A 27 14.644 1.084 -6.010 1.00 0.31 C ATOM 420 O LEU A 27 14.693 -0.130 -6.040 1.00 0.31 O ATOM 421 CB LEU A 27 16.903 1.917 -6.727 1.00 0.47 C ATOM 422 CG LEU A 27 17.149 2.217 -5.245 1.00 0.50 C ATOM 423 CD1 LEU A 27 17.443 0.911 -4.499 1.00 0.60 C ATOM 424 CD2 LEU A 27 18.352 3.154 -5.113 1.00 0.41 C ATOM 0 H LEU A 27 15.557 4.028 -6.637 1.00 0.41 H new ATOM 0 HA LEU A 27 15.237 1.526 -8.030 1.00 0.41 H new ATOM 0 HB2 LEU A 27 17.320 0.943 -6.982 1.00 0.47 H new ATOM 0 HB3 LEU A 27 17.416 2.655 -7.344 1.00 0.47 H new ATOM 0 HG LEU A 27 16.264 2.689 -4.818 1.00 0.50 H new ATOM 0 HD11 LEU A 27 17.618 1.126 -3.445 1.00 0.60 H new ATOM 0 HD12 LEU A 27 16.592 0.237 -4.596 1.00 0.60 H new ATOM 0 HD13 LEU A 27 18.329 0.440 -4.925 1.00 0.60 H new ATOM 0 HD21 LEU A 27 18.531 3.370 -4.060 1.00 0.41 H new ATOM 0 HD22 LEU A 27 19.234 2.676 -5.540 1.00 0.41 H new ATOM 0 HD23 LEU A 27 18.149 4.084 -5.645 1.00 0.41 H new ATOM 436 N CYS A 28 13.943 1.712 -5.106 1.00 0.24 N ATOM 437 CA CYS A 28 13.183 0.942 -4.082 1.00 0.14 C ATOM 438 C CYS A 28 12.095 0.118 -4.774 1.00 0.12 C ATOM 439 O CYS A 28 11.441 -0.703 -4.162 1.00 0.10 O ATOM 440 CB CYS A 28 12.536 1.912 -3.091 1.00 0.06 C ATOM 441 SG CYS A 28 12.859 1.355 -1.399 1.00 0.10 S ATOM 0 H CYS A 28 13.864 2.726 -5.033 1.00 0.24 H new ATOM 0 HA CYS A 28 13.861 0.277 -3.547 1.00 0.14 H new ATOM 0 HB2 CYS A 28 12.934 2.916 -3.237 1.00 0.06 H new ATOM 0 HB3 CYS A 28 11.462 1.966 -3.268 1.00 0.06 H new ATOM 446 N THR A 29 11.898 0.330 -6.046 1.00 0.11 N ATOM 447 CA THR A 29 10.853 -0.439 -6.778 1.00 0.09 C ATOM 448 C THR A 29 11.429 -1.787 -7.216 1.00 0.08 C ATOM 449 O THR A 29 10.762 -2.802 -7.172 1.00 0.32 O ATOM 450 CB THR A 29 10.407 0.350 -8.011 1.00 0.10 C ATOM 451 OG1 THR A 29 11.492 0.452 -8.923 1.00 0.14 O ATOM 452 CG2 THR A 29 9.959 1.750 -7.588 1.00 0.21 C ATOM 0 H THR A 29 12.416 1.003 -6.610 1.00 0.11 H new ATOM 0 HA THR A 29 9.997 -0.603 -6.124 1.00 0.09 H new ATOM 0 HB THR A 29 9.575 -0.165 -8.492 1.00 0.10 H new ATOM 0 HG1 THR A 29 12.077 1.191 -8.654 1.00 0.14 H new ATOM 0 HG21 THR A 29 9.641 2.311 -8.467 1.00 0.21 H new ATOM 0 HG22 THR A 29 9.127 1.670 -6.888 1.00 0.21 H new ATOM 0 HG23 THR A 29 10.789 2.268 -7.107 1.00 0.21 H new ATOM 460 N GLU A 30 12.664 -1.806 -7.638 1.00 0.21 N ATOM 461 CA GLU A 30 13.281 -3.089 -8.078 1.00 0.22 C ATOM 462 C GLU A 30 13.082 -4.148 -6.992 1.00 0.28 C ATOM 463 O GLU A 30 13.233 -5.330 -7.228 1.00 0.45 O ATOM 464 CB GLU A 30 14.779 -2.879 -8.317 1.00 0.14 C ATOM 465 CG GLU A 30 15.163 -3.457 -9.680 1.00 1.11 C ATOM 466 CD GLU A 30 14.572 -2.585 -10.790 1.00 1.05 C ATOM 467 OE1 GLU A 30 13.455 -2.857 -11.198 1.00 2.28 O ATOM 468 OE2 GLU A 30 15.246 -1.660 -11.212 1.00 1.33 O ATOM 0 H GLU A 30 13.272 -0.989 -7.697 1.00 0.21 H new ATOM 0 HA GLU A 30 12.809 -3.422 -9.002 1.00 0.22 H new ATOM 0 HB2 GLU A 30 15.019 -1.816 -8.280 1.00 0.14 H new ATOM 0 HB3 GLU A 30 15.355 -3.363 -7.529 1.00 0.14 H new ATOM 0 HG2 GLU A 30 16.248 -3.500 -9.776 1.00 1.11 H new ATOM 0 HG3 GLU A 30 14.794 -4.479 -9.770 1.00 1.11 H new ATOM 475 N LEU A 31 12.744 -3.733 -5.801 1.00 0.21 N ATOM 476 CA LEU A 31 12.534 -4.716 -4.702 1.00 0.25 C ATOM 477 C LEU A 31 11.415 -5.683 -5.090 1.00 0.44 C ATOM 478 O LEU A 31 10.959 -5.700 -6.217 1.00 1.25 O ATOM 479 CB LEU A 31 12.146 -3.974 -3.420 1.00 0.40 C ATOM 480 CG LEU A 31 13.191 -2.899 -3.115 1.00 0.34 C ATOM 481 CD1 LEU A 31 12.793 -2.145 -1.845 1.00 0.64 C ATOM 482 CD2 LEU A 31 14.558 -3.557 -2.907 1.00 0.43 C ATOM 0 H LEU A 31 12.605 -2.756 -5.543 1.00 0.21 H new ATOM 0 HA LEU A 31 13.455 -5.275 -4.534 1.00 0.25 H new ATOM 0 HB2 LEU A 31 11.163 -3.518 -3.535 1.00 0.40 H new ATOM 0 HB3 LEU A 31 12.077 -4.675 -2.588 1.00 0.40 H new ATOM 0 HG LEU A 31 13.246 -2.202 -3.951 1.00 0.34 H new ATOM 0 HD11 LEU A 31 13.538 -1.379 -1.628 1.00 0.64 H new ATOM 0 HD12 LEU A 31 11.821 -1.675 -1.991 1.00 0.64 H new ATOM 0 HD13 LEU A 31 12.737 -2.843 -1.010 1.00 0.64 H new ATOM 0 HD21 LEU A 31 15.302 -2.790 -2.690 1.00 0.43 H new ATOM 0 HD22 LEU A 31 14.502 -4.255 -2.072 1.00 0.43 H new ATOM 0 HD23 LEU A 31 14.844 -4.094 -3.811 1.00 0.43 H new ATOM 494 N THR A 32 10.966 -6.489 -4.166 1.00 0.45 N ATOM 495 CA THR A 32 9.876 -7.454 -4.482 1.00 0.34 C ATOM 496 C THR A 32 8.989 -7.640 -3.249 1.00 0.46 C ATOM 497 O THR A 32 9.337 -8.343 -2.322 1.00 0.66 O ATOM 498 CB THR A 32 10.485 -8.801 -4.880 1.00 0.27 C ATOM 499 OG1 THR A 32 11.248 -9.312 -3.796 1.00 0.43 O ATOM 500 CG2 THR A 32 11.388 -8.614 -6.099 1.00 0.39 C ATOM 0 H THR A 32 11.308 -6.520 -3.205 1.00 0.45 H new ATOM 0 HA THR A 32 9.277 -7.069 -5.307 1.00 0.34 H new ATOM 0 HB THR A 32 9.688 -9.503 -5.126 1.00 0.27 H new ATOM 0 HG1 THR A 32 10.746 -9.200 -2.962 1.00 0.43 H new ATOM 0 HG21 THR A 32 11.821 -9.574 -6.382 1.00 0.39 H new ATOM 0 HG22 THR A 32 10.801 -8.222 -6.930 1.00 0.39 H new ATOM 0 HG23 THR A 32 12.187 -7.913 -5.856 1.00 0.39 H new ATOM 508 N VAL A 33 7.845 -7.012 -3.231 1.00 0.51 N ATOM 509 CA VAL A 33 6.938 -7.152 -2.057 1.00 0.60 C ATOM 510 C VAL A 33 6.224 -8.503 -2.120 1.00 0.60 C ATOM 511 O VAL A 33 6.121 -9.114 -3.165 1.00 0.82 O ATOM 512 CB VAL A 33 5.902 -6.027 -2.079 1.00 0.65 C ATOM 513 CG1 VAL A 33 6.592 -4.701 -2.407 1.00 0.65 C ATOM 514 CG2 VAL A 33 4.845 -6.328 -3.143 1.00 0.64 C ATOM 0 H VAL A 33 7.500 -6.409 -3.978 1.00 0.51 H new ATOM 0 HA VAL A 33 7.521 -7.093 -1.138 1.00 0.60 H new ATOM 0 HB VAL A 33 5.425 -5.955 -1.102 1.00 0.65 H new ATOM 0 HG11 VAL A 33 5.853 -3.900 -2.422 1.00 0.65 H new ATOM 0 HG12 VAL A 33 7.345 -4.485 -1.649 1.00 0.65 H new ATOM 0 HG13 VAL A 33 7.071 -4.772 -3.384 1.00 0.65 H new ATOM 0 HG21 VAL A 33 4.106 -5.527 -3.159 1.00 0.64 H new ATOM 0 HG22 VAL A 33 5.323 -6.401 -4.120 1.00 0.64 H new ATOM 0 HG23 VAL A 33 4.352 -7.271 -2.909 1.00 0.64 H new ATOM 524 N THR A 34 5.730 -8.976 -1.009 1.00 0.37 N ATOM 525 CA THR A 34 5.024 -10.288 -1.005 1.00 0.42 C ATOM 526 C THR A 34 3.660 -10.134 -1.682 1.00 0.45 C ATOM 527 O THR A 34 2.907 -9.228 -1.385 1.00 0.50 O ATOM 528 CB THR A 34 4.826 -10.756 0.439 1.00 0.46 C ATOM 529 OG1 THR A 34 6.071 -11.187 0.969 1.00 0.52 O ATOM 530 CG2 THR A 34 3.828 -11.915 0.469 1.00 0.59 C ATOM 0 H THR A 34 5.785 -8.510 -0.103 1.00 0.37 H new ATOM 0 HA THR A 34 5.619 -11.023 -1.547 1.00 0.42 H new ATOM 0 HB THR A 34 4.440 -9.932 1.039 1.00 0.46 H new ATOM 0 HG1 THR A 34 5.947 -11.486 1.894 1.00 0.52 H new ATOM 0 HG21 THR A 34 3.688 -12.248 1.497 1.00 0.59 H new ATOM 0 HG22 THR A 34 2.873 -11.583 0.061 1.00 0.59 H new ATOM 0 HG23 THR A 34 4.211 -12.741 -0.130 1.00 0.59 H new ATOM 538 N ASP A 35 3.336 -11.013 -2.591 1.00 0.44 N ATOM 539 CA ASP A 35 2.022 -10.918 -3.285 1.00 0.48 C ATOM 540 C ASP A 35 0.927 -11.498 -2.387 1.00 0.57 C ATOM 541 O ASP A 35 0.933 -12.668 -2.062 1.00 1.18 O ATOM 542 CB ASP A 35 2.078 -11.707 -4.595 1.00 0.51 C ATOM 543 CG ASP A 35 0.751 -11.556 -5.341 1.00 0.49 C ATOM 544 OD1 ASP A 35 -0.281 -11.708 -4.708 1.00 0.99 O ATOM 545 OD2 ASP A 35 0.790 -11.290 -6.530 1.00 1.26 O ATOM 0 H ASP A 35 3.925 -11.793 -2.883 1.00 0.44 H new ATOM 0 HA ASP A 35 1.800 -9.873 -3.500 1.00 0.48 H new ATOM 0 HB2 ASP A 35 2.899 -11.345 -5.215 1.00 0.51 H new ATOM 0 HB3 ASP A 35 2.274 -12.759 -4.390 1.00 0.51 H new ATOM 550 N ILE A 36 -0.013 -10.688 -1.983 1.00 0.21 N ATOM 551 CA ILE A 36 -1.106 -11.194 -1.106 1.00 0.16 C ATOM 552 C ILE A 36 -2.275 -11.670 -1.970 1.00 0.22 C ATOM 553 O ILE A 36 -3.006 -12.569 -1.603 1.00 0.25 O ATOM 554 CB ILE A 36 -1.580 -10.070 -0.182 1.00 0.07 C ATOM 555 CG1 ILE A 36 -2.502 -9.127 -0.960 1.00 0.38 C ATOM 556 CG2 ILE A 36 -0.370 -9.288 0.333 1.00 0.42 C ATOM 557 CD1 ILE A 36 -2.579 -7.780 -0.239 1.00 0.12 C ATOM 0 H ILE A 36 -0.071 -9.698 -2.222 1.00 0.21 H new ATOM 0 HA ILE A 36 -0.735 -12.026 -0.507 1.00 0.16 H new ATOM 0 HB ILE A 36 -2.122 -10.497 0.662 1.00 0.07 H new ATOM 0 HG12 ILE A 36 -2.126 -8.988 -1.974 1.00 0.38 H new ATOM 0 HG13 ILE A 36 -3.497 -9.563 -1.046 1.00 0.38 H new ATOM 0 HG21 ILE A 36 -0.708 -8.487 0.991 1.00 0.42 H new ATOM 0 HG22 ILE A 36 0.288 -9.959 0.885 1.00 0.42 H new ATOM 0 HG23 ILE A 36 0.172 -8.860 -0.510 1.00 0.42 H new ATOM 0 HD11 ILE A 36 -3.235 -7.108 -0.792 1.00 0.12 H new ATOM 0 HD12 ILE A 36 -2.974 -7.927 0.766 1.00 0.12 H new ATOM 0 HD13 ILE A 36 -1.582 -7.343 -0.176 1.00 0.12 H new ATOM 569 N PHE A 37 -2.459 -11.074 -3.117 1.00 0.27 N ATOM 570 CA PHE A 37 -3.581 -11.493 -4.003 1.00 0.33 C ATOM 571 C PHE A 37 -3.229 -12.820 -4.680 1.00 0.39 C ATOM 572 O PHE A 37 -4.010 -13.372 -5.429 1.00 0.54 O ATOM 573 CB PHE A 37 -3.815 -10.423 -5.070 1.00 0.37 C ATOM 574 CG PHE A 37 -3.824 -9.058 -4.421 1.00 0.37 C ATOM 575 CD1 PHE A 37 -4.884 -8.690 -3.584 1.00 0.41 C ATOM 576 CD2 PHE A 37 -2.774 -8.163 -4.655 1.00 0.38 C ATOM 577 CE1 PHE A 37 -4.894 -7.426 -2.983 1.00 0.47 C ATOM 578 CE2 PHE A 37 -2.784 -6.899 -4.053 1.00 0.39 C ATOM 579 CZ PHE A 37 -3.844 -6.531 -3.216 1.00 0.44 C ATOM 0 H PHE A 37 -1.881 -10.315 -3.478 1.00 0.27 H new ATOM 0 HA PHE A 37 -4.486 -11.617 -3.408 1.00 0.33 H new ATOM 0 HB2 PHE A 37 -3.033 -10.472 -5.827 1.00 0.37 H new ATOM 0 HB3 PHE A 37 -4.762 -10.602 -5.578 1.00 0.37 H new ATOM 0 HD1 PHE A 37 -5.694 -9.381 -3.402 1.00 0.41 H new ATOM 0 HD2 PHE A 37 -1.956 -8.447 -5.300 1.00 0.38 H new ATOM 0 HE1 PHE A 37 -5.713 -7.141 -2.339 1.00 0.47 H new ATOM 0 HE2 PHE A 37 -1.974 -6.208 -4.234 1.00 0.39 H new ATOM 0 HZ PHE A 37 -3.851 -5.557 -2.750 1.00 0.44 H new ATOM 589 N ALA A 38 -2.057 -13.335 -4.423 1.00 0.27 N ATOM 590 CA ALA A 38 -1.657 -14.625 -5.051 1.00 0.32 C ATOM 591 C ALA A 38 -2.067 -15.785 -4.141 1.00 0.31 C ATOM 592 O ALA A 38 -1.651 -16.911 -4.330 1.00 0.34 O ATOM 593 CB ALA A 38 -0.140 -14.645 -5.252 1.00 0.40 C ATOM 0 H ALA A 38 -1.360 -12.918 -3.806 1.00 0.27 H new ATOM 0 HA ALA A 38 -2.153 -14.729 -6.016 1.00 0.32 H new ATOM 0 HB1 ALA A 38 0.154 -15.589 -5.712 1.00 0.40 H new ATOM 0 HB2 ALA A 38 0.152 -13.819 -5.901 1.00 0.40 H new ATOM 0 HB3 ALA A 38 0.356 -14.541 -4.287 1.00 0.40 H new ATOM 599 N ALA A 39 -2.880 -15.519 -3.156 1.00 0.26 N ATOM 600 CA ALA A 39 -3.315 -16.606 -2.235 1.00 0.26 C ATOM 601 C ALA A 39 -4.653 -16.229 -1.598 1.00 0.22 C ATOM 602 O ALA A 39 -4.964 -16.638 -0.497 1.00 0.27 O ATOM 603 CB ALA A 39 -2.263 -16.799 -1.140 1.00 0.30 C ATOM 0 H ALA A 39 -3.262 -14.596 -2.949 1.00 0.26 H new ATOM 0 HA ALA A 39 -3.429 -17.534 -2.796 1.00 0.26 H new ATOM 0 HB1 ALA A 39 -2.581 -17.594 -0.466 1.00 0.30 H new ATOM 0 HB2 ALA A 39 -1.310 -17.068 -1.595 1.00 0.30 H new ATOM 0 HB3 ALA A 39 -2.148 -15.872 -0.578 1.00 0.30 H new ATOM 609 N SER A 40 -5.449 -15.453 -2.281 1.00 0.45 N ATOM 610 CA SER A 40 -6.767 -15.050 -1.713 1.00 0.41 C ATOM 611 C SER A 40 -7.770 -16.191 -1.895 1.00 0.35 C ATOM 612 O SER A 40 -7.919 -16.733 -2.973 1.00 0.69 O ATOM 613 CB SER A 40 -7.275 -13.803 -2.438 1.00 0.42 C ATOM 614 OG SER A 40 -8.692 -13.855 -2.523 1.00 1.05 O ATOM 0 H SER A 40 -5.244 -15.080 -3.208 1.00 0.45 H new ATOM 0 HA SER A 40 -6.654 -14.831 -0.651 1.00 0.41 H new ATOM 0 HB2 SER A 40 -6.964 -12.905 -1.904 1.00 0.42 H new ATOM 0 HB3 SER A 40 -6.841 -13.746 -3.436 1.00 0.42 H new ATOM 0 HG SER A 40 -9.021 -13.056 -2.986 1.00 1.05 H new ATOM 620 N LYS A 41 -8.460 -16.559 -0.851 1.00 0.55 N ATOM 621 CA LYS A 41 -9.453 -17.664 -0.967 1.00 0.46 C ATOM 622 C LYS A 41 -10.619 -17.403 -0.010 1.00 0.42 C ATOM 623 O LYS A 41 -11.597 -16.777 -0.366 1.00 0.64 O ATOM 624 CB LYS A 41 -8.784 -18.992 -0.605 1.00 0.44 C ATOM 625 CG LYS A 41 -7.981 -19.502 -1.802 1.00 0.69 C ATOM 626 CD LYS A 41 -7.339 -20.846 -1.451 1.00 0.45 C ATOM 627 CE LYS A 41 -6.408 -21.279 -2.585 1.00 1.38 C ATOM 628 NZ LYS A 41 -5.247 -20.347 -2.660 1.00 1.73 N ATOM 0 H LYS A 41 -8.379 -16.143 0.077 1.00 0.55 H new ATOM 0 HA LYS A 41 -9.825 -17.712 -1.990 1.00 0.46 H new ATOM 0 HB2 LYS A 41 -8.129 -18.858 0.256 1.00 0.44 H new ATOM 0 HB3 LYS A 41 -9.538 -19.726 -0.320 1.00 0.44 H new ATOM 0 HG2 LYS A 41 -8.632 -19.613 -2.669 1.00 0.69 H new ATOM 0 HG3 LYS A 41 -7.211 -18.779 -2.072 1.00 0.69 H new ATOM 0 HD2 LYS A 41 -6.780 -20.761 -0.519 1.00 0.45 H new ATOM 0 HD3 LYS A 41 -8.111 -21.599 -1.292 1.00 0.45 H new ATOM 0 HE2 LYS A 41 -6.060 -22.298 -2.415 1.00 1.38 H new ATOM 0 HE3 LYS A 41 -6.948 -21.281 -3.532 1.00 1.38 H new ATOM 0 HZ1 LYS A 41 -4.444 -20.829 -3.112 1.00 1.73 H new ATOM 0 HZ2 LYS A 41 -5.509 -19.511 -3.220 1.00 1.73 H new ATOM 0 HZ3 LYS A 41 -4.978 -20.050 -1.700 1.00 1.73 H new ATOM 642 N ASP A 42 -10.523 -17.879 1.201 1.00 0.16 N ATOM 643 CA ASP A 42 -11.626 -17.658 2.179 1.00 0.20 C ATOM 644 C ASP A 42 -11.428 -16.309 2.873 1.00 0.19 C ATOM 645 O ASP A 42 -12.283 -15.844 3.601 1.00 0.32 O ATOM 646 CB ASP A 42 -11.615 -18.776 3.223 1.00 0.24 C ATOM 647 CG ASP A 42 -12.741 -18.545 4.231 1.00 1.82 C ATOM 648 OD1 ASP A 42 -13.891 -18.593 3.827 1.00 2.94 O ATOM 649 OD2 ASP A 42 -12.434 -18.324 5.391 1.00 2.36 O ATOM 0 H ASP A 42 -9.729 -18.411 1.556 1.00 0.16 H new ATOM 0 HA ASP A 42 -12.582 -17.661 1.655 1.00 0.20 H new ATOM 0 HB2 ASP A 42 -11.741 -19.743 2.737 1.00 0.24 H new ATOM 0 HB3 ASP A 42 -10.653 -18.800 3.735 1.00 0.24 H new ATOM 654 N THR A 43 -10.307 -15.677 2.656 1.00 0.32 N ATOM 655 CA THR A 43 -10.056 -14.360 3.304 1.00 0.32 C ATOM 656 C THR A 43 -11.029 -13.321 2.742 1.00 0.31 C ATOM 657 O THR A 43 -11.083 -13.088 1.551 1.00 0.43 O ATOM 658 CB THR A 43 -8.619 -13.918 3.022 1.00 0.30 C ATOM 659 OG1 THR A 43 -8.264 -14.283 1.696 1.00 0.50 O ATOM 660 CG2 THR A 43 -7.671 -14.597 4.011 1.00 0.66 C ATOM 0 H THR A 43 -9.554 -16.017 2.057 1.00 0.32 H new ATOM 0 HA THR A 43 -10.203 -14.451 4.380 1.00 0.32 H new ATOM 0 HB THR A 43 -8.543 -12.836 3.134 1.00 0.30 H new ATOM 0 HG1 THR A 43 -8.988 -14.034 1.083 1.00 0.50 H new ATOM 0 HG21 THR A 43 -6.647 -14.281 3.809 1.00 0.66 H new ATOM 0 HG22 THR A 43 -7.944 -14.315 5.028 1.00 0.66 H new ATOM 0 HG23 THR A 43 -7.745 -15.679 3.902 1.00 0.66 H new ATOM 668 N THR A 44 -11.798 -12.695 3.590 1.00 0.43 N ATOM 669 CA THR A 44 -12.766 -11.672 3.103 1.00 0.45 C ATOM 670 C THR A 44 -12.024 -10.364 2.820 1.00 0.43 C ATOM 671 O THR A 44 -10.815 -10.290 2.914 1.00 0.42 O ATOM 672 CB THR A 44 -13.834 -11.432 4.172 1.00 0.47 C ATOM 673 OG1 THR A 44 -13.211 -11.009 5.376 1.00 0.69 O ATOM 674 CG2 THR A 44 -14.609 -12.726 4.422 1.00 0.84 C ATOM 0 H THR A 44 -11.798 -12.848 4.599 1.00 0.43 H new ATOM 0 HA THR A 44 -13.241 -12.026 2.188 1.00 0.45 H new ATOM 0 HB THR A 44 -14.523 -10.660 3.830 1.00 0.47 H new ATOM 0 HG1 THR A 44 -13.895 -10.853 6.061 1.00 0.69 H new ATOM 0 HG21 THR A 44 -15.369 -12.553 5.184 1.00 0.84 H new ATOM 0 HG22 THR A 44 -15.088 -13.048 3.497 1.00 0.84 H new ATOM 0 HG23 THR A 44 -13.923 -13.501 4.763 1.00 0.84 H new ATOM 682 N GLU A 45 -12.740 -9.328 2.474 1.00 0.44 N ATOM 683 CA GLU A 45 -12.076 -8.026 2.185 1.00 0.43 C ATOM 684 C GLU A 45 -11.322 -7.551 3.429 1.00 0.40 C ATOM 685 O GLU A 45 -10.238 -7.011 3.341 1.00 0.38 O ATOM 686 CB GLU A 45 -13.132 -6.988 1.800 1.00 0.49 C ATOM 687 CG GLU A 45 -14.341 -7.695 1.183 1.00 0.62 C ATOM 688 CD GLU A 45 -15.186 -6.680 0.411 1.00 0.74 C ATOM 689 OE1 GLU A 45 -14.607 -5.883 -0.310 1.00 1.65 O ATOM 690 OE2 GLU A 45 -16.397 -6.717 0.553 1.00 1.45 O ATOM 0 H GLU A 45 -13.756 -9.328 2.379 1.00 0.44 H new ATOM 0 HA GLU A 45 -11.374 -8.151 1.361 1.00 0.43 H new ATOM 0 HB2 GLU A 45 -13.438 -6.422 2.680 1.00 0.49 H new ATOM 0 HB3 GLU A 45 -12.714 -6.274 1.091 1.00 0.49 H new ATOM 0 HG2 GLU A 45 -14.009 -8.490 0.516 1.00 0.62 H new ATOM 0 HG3 GLU A 45 -14.940 -8.163 1.964 1.00 0.62 H new ATOM 697 N LYS A 46 -11.890 -7.746 4.587 1.00 0.40 N ATOM 698 CA LYS A 46 -11.207 -7.305 5.836 1.00 0.38 C ATOM 699 C LYS A 46 -9.787 -7.875 5.871 1.00 0.29 C ATOM 700 O LYS A 46 -8.819 -7.148 5.963 1.00 0.28 O ATOM 701 CB LYS A 46 -11.990 -7.809 7.051 1.00 0.41 C ATOM 702 CG LYS A 46 -13.373 -7.152 7.076 1.00 0.49 C ATOM 703 CD LYS A 46 -13.530 -6.313 8.351 1.00 0.73 C ATOM 704 CE LYS A 46 -13.432 -7.202 9.599 1.00 2.30 C ATOM 705 NZ LYS A 46 -13.467 -8.641 9.213 1.00 3.71 N ATOM 0 H LYS A 46 -12.797 -8.192 4.723 1.00 0.40 H new ATOM 0 HA LYS A 46 -11.161 -6.216 5.859 1.00 0.38 H new ATOM 0 HB2 LYS A 46 -12.092 -8.893 7.007 1.00 0.41 H new ATOM 0 HB3 LYS A 46 -11.449 -7.576 7.968 1.00 0.41 H new ATOM 0 HG2 LYS A 46 -13.501 -6.521 6.197 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -14.149 -7.916 7.035 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -12.758 -5.544 8.384 1.00 0.73 H new ATOM 0 HD3 LYS A 46 -14.491 -5.799 8.339 1.00 0.73 H new ATOM 0 HE2 LYS A 46 -12.509 -6.985 10.137 1.00 2.30 H new ATOM 0 HE3 LYS A 46 -14.256 -6.980 10.277 1.00 2.30 H new ATOM 0 HZ1 LYS A 46 -13.655 -9.222 10.055 1.00 3.71 H new ATOM 0 HZ2 LYS A 46 -14.219 -8.794 8.511 1.00 3.71 H new ATOM 0 HZ3 LYS A 46 -12.551 -8.913 8.803 1.00 3.71 H new ATOM 719 N GLU A 47 -9.658 -9.171 5.800 1.00 0.23 N ATOM 720 CA GLU A 47 -8.301 -9.787 5.830 1.00 0.15 C ATOM 721 C GLU A 47 -7.508 -9.340 4.600 1.00 0.15 C ATOM 722 O GLU A 47 -6.293 -9.346 4.598 1.00 0.10 O ATOM 723 CB GLU A 47 -8.432 -11.311 5.827 1.00 0.17 C ATOM 724 CG GLU A 47 -8.411 -11.829 7.266 1.00 0.64 C ATOM 725 CD GLU A 47 -6.967 -11.894 7.765 1.00 2.04 C ATOM 726 OE1 GLU A 47 -6.124 -12.367 7.020 1.00 2.80 O ATOM 727 OE2 GLU A 47 -6.728 -11.470 8.883 1.00 2.58 O ATOM 0 H GLU A 47 -10.433 -9.830 5.723 1.00 0.23 H new ATOM 0 HA GLU A 47 -7.779 -9.469 6.732 1.00 0.15 H new ATOM 0 HB2 GLU A 47 -9.360 -11.606 5.337 1.00 0.17 H new ATOM 0 HB3 GLU A 47 -7.616 -11.755 5.258 1.00 0.17 H new ATOM 0 HG2 GLU A 47 -8.999 -11.174 7.908 1.00 0.64 H new ATOM 0 HG3 GLU A 47 -8.868 -12.817 7.315 1.00 0.64 H new ATOM 734 N THR A 48 -8.185 -8.954 3.553 1.00 0.24 N ATOM 735 CA THR A 48 -7.468 -8.510 2.326 1.00 0.29 C ATOM 736 C THR A 48 -6.738 -7.195 2.608 1.00 0.27 C ATOM 737 O THR A 48 -5.583 -7.029 2.265 1.00 0.34 O ATOM 738 CB THR A 48 -8.475 -8.301 1.192 1.00 0.36 C ATOM 739 OG1 THR A 48 -9.384 -9.391 1.163 1.00 0.38 O ATOM 740 CG2 THR A 48 -7.734 -8.215 -0.142 1.00 0.42 C ATOM 0 H THR A 48 -9.203 -8.927 3.495 1.00 0.24 H new ATOM 0 HA THR A 48 -6.745 -9.272 2.034 1.00 0.29 H new ATOM 0 HB THR A 48 -9.024 -7.374 1.359 1.00 0.36 H new ATOM 0 HG1 THR A 48 -9.862 -9.441 2.017 1.00 0.38 H new ATOM 0 HG21 THR A 48 -8.452 -8.066 -0.948 1.00 0.42 H new ATOM 0 HG22 THR A 48 -7.037 -7.377 -0.118 1.00 0.42 H new ATOM 0 HG23 THR A 48 -7.183 -9.140 -0.313 1.00 0.42 H new ATOM 748 N PHE A 49 -7.400 -6.259 3.231 1.00 0.29 N ATOM 749 CA PHE A 49 -6.741 -4.957 3.534 1.00 0.27 C ATOM 750 C PHE A 49 -5.658 -5.168 4.594 1.00 0.23 C ATOM 751 O PHE A 49 -4.673 -4.458 4.639 1.00 0.22 O ATOM 752 CB PHE A 49 -7.784 -3.968 4.062 1.00 0.28 C ATOM 753 CG PHE A 49 -8.863 -3.773 3.024 1.00 0.33 C ATOM 754 CD1 PHE A 49 -8.575 -3.087 1.837 1.00 0.36 C ATOM 755 CD2 PHE A 49 -10.151 -4.275 3.248 1.00 0.37 C ATOM 756 CE1 PHE A 49 -9.575 -2.904 0.874 1.00 0.41 C ATOM 757 CE2 PHE A 49 -11.150 -4.092 2.284 1.00 0.42 C ATOM 758 CZ PHE A 49 -10.863 -3.408 1.098 1.00 0.44 C ATOM 0 H PHE A 49 -8.368 -6.339 3.543 1.00 0.29 H new ATOM 0 HA PHE A 49 -6.289 -4.559 2.626 1.00 0.27 H new ATOM 0 HB2 PHE A 49 -8.219 -4.342 4.989 1.00 0.28 H new ATOM 0 HB3 PHE A 49 -7.311 -3.014 4.294 1.00 0.28 H new ATOM 0 HD1 PHE A 49 -7.582 -2.699 1.665 1.00 0.36 H new ATOM 0 HD2 PHE A 49 -10.374 -4.803 4.164 1.00 0.37 H new ATOM 0 HE1 PHE A 49 -9.354 -2.375 -0.041 1.00 0.41 H new ATOM 0 HE2 PHE A 49 -12.143 -4.479 2.456 1.00 0.42 H new ATOM 0 HZ PHE A 49 -11.634 -3.268 0.355 1.00 0.44 H new ATOM 768 N CYS A 50 -5.832 -6.139 5.449 1.00 0.24 N ATOM 769 CA CYS A 50 -4.811 -6.394 6.504 1.00 0.23 C ATOM 770 C CYS A 50 -3.534 -6.937 5.859 1.00 0.22 C ATOM 771 O CYS A 50 -2.466 -6.374 6.006 1.00 0.24 O ATOM 772 CB CYS A 50 -5.354 -7.418 7.501 1.00 0.25 C ATOM 773 SG CYS A 50 -4.050 -7.866 8.674 1.00 0.29 S ATOM 0 H CYS A 50 -6.636 -6.766 5.462 1.00 0.24 H new ATOM 0 HA CYS A 50 -4.587 -5.463 7.025 1.00 0.23 H new ATOM 0 HB2 CYS A 50 -6.211 -7.005 8.033 1.00 0.25 H new ATOM 0 HB3 CYS A 50 -5.704 -8.305 6.973 1.00 0.25 H new ATOM 778 N ARG A 51 -3.634 -8.026 5.147 1.00 0.21 N ATOM 779 CA ARG A 51 -2.424 -8.602 4.496 1.00 0.24 C ATOM 780 C ARG A 51 -1.693 -7.507 3.720 1.00 0.20 C ATOM 781 O ARG A 51 -0.490 -7.366 3.810 1.00 0.16 O ATOM 782 CB ARG A 51 -2.846 -9.715 3.533 1.00 0.28 C ATOM 783 CG ARG A 51 -3.386 -10.903 4.331 1.00 0.33 C ATOM 784 CD ARG A 51 -3.617 -12.088 3.390 1.00 0.48 C ATOM 785 NE ARG A 51 -2.400 -12.947 3.363 1.00 1.11 N ATOM 786 CZ ARG A 51 -2.464 -14.155 2.875 1.00 1.40 C ATOM 787 NH1 ARG A 51 -3.596 -14.611 2.411 1.00 0.93 N ATOM 788 NH2 ARG A 51 -1.399 -14.907 2.850 1.00 2.29 N ATOM 0 H ARG A 51 -4.500 -8.541 4.988 1.00 0.21 H new ATOM 0 HA ARG A 51 -1.761 -9.011 5.258 1.00 0.24 H new ATOM 0 HB2 ARG A 51 -3.609 -9.347 2.847 1.00 0.28 H new ATOM 0 HB3 ARG A 51 -1.996 -10.027 2.926 1.00 0.28 H new ATOM 0 HG2 ARG A 51 -2.680 -11.179 5.114 1.00 0.33 H new ATOM 0 HG3 ARG A 51 -4.319 -10.629 4.824 1.00 0.33 H new ATOM 0 HD2 ARG A 51 -4.477 -12.668 3.724 1.00 0.48 H new ATOM 0 HD3 ARG A 51 -3.844 -11.730 2.386 1.00 0.48 H new ATOM 0 HE ARG A 51 -1.516 -12.590 3.726 1.00 1.11 H new ATOM 0 HH11 ARG A 51 -4.429 -14.023 2.430 1.00 0.93 H new ATOM 0 HH12 ARG A 51 -3.647 -15.555 2.029 1.00 0.93 H new ATOM 0 HH21 ARG A 51 -0.515 -14.551 3.212 1.00 2.29 H new ATOM 0 HH22 ARG A 51 -1.450 -15.851 2.468 1.00 2.29 H new ATOM 802 N ALA A 52 -2.410 -6.726 2.959 1.00 0.21 N ATOM 803 CA ALA A 52 -1.755 -5.639 2.178 1.00 0.17 C ATOM 804 C ALA A 52 -0.992 -4.717 3.131 1.00 0.18 C ATOM 805 O ALA A 52 0.170 -4.424 2.928 1.00 0.15 O ATOM 806 CB ALA A 52 -2.821 -4.833 1.432 1.00 0.17 C ATOM 0 H ALA A 52 -3.421 -6.794 2.844 1.00 0.21 H new ATOM 0 HA ALA A 52 -1.061 -6.075 1.459 1.00 0.17 H new ATOM 0 HB1 ALA A 52 -2.342 -4.038 0.861 1.00 0.17 H new ATOM 0 HB2 ALA A 52 -3.365 -5.490 0.754 1.00 0.17 H new ATOM 0 HB3 ALA A 52 -3.516 -4.396 2.150 1.00 0.17 H new ATOM 812 N ALA A 53 -1.635 -4.257 4.168 1.00 0.23 N ATOM 813 CA ALA A 53 -0.945 -3.353 5.132 1.00 0.24 C ATOM 814 C ALA A 53 0.278 -4.065 5.713 1.00 0.23 C ATOM 815 O ALA A 53 1.357 -3.510 5.779 1.00 0.24 O ATOM 816 CB ALA A 53 -1.907 -2.986 6.264 1.00 0.28 C ATOM 0 H ALA A 53 -2.608 -4.467 4.390 1.00 0.23 H new ATOM 0 HA ALA A 53 -0.627 -2.447 4.617 1.00 0.24 H new ATOM 0 HB1 ALA A 53 -1.403 -2.325 6.969 1.00 0.28 H new ATOM 0 HB2 ALA A 53 -2.779 -2.479 5.851 1.00 0.28 H new ATOM 0 HB3 ALA A 53 -2.225 -3.892 6.779 1.00 0.28 H new ATOM 822 N THR A 54 0.119 -5.288 6.137 1.00 0.20 N ATOM 823 CA THR A 54 1.275 -6.033 6.713 1.00 0.19 C ATOM 824 C THR A 54 2.478 -5.909 5.777 1.00 0.21 C ATOM 825 O THR A 54 3.588 -5.665 6.206 1.00 0.21 O ATOM 826 CB THR A 54 0.902 -7.508 6.874 1.00 0.17 C ATOM 827 OG1 THR A 54 -0.272 -7.615 7.668 1.00 0.10 O ATOM 828 CG2 THR A 54 2.050 -8.256 7.553 1.00 0.22 C ATOM 0 H THR A 54 -0.760 -5.804 6.110 1.00 0.20 H new ATOM 0 HA THR A 54 1.529 -5.615 7.687 1.00 0.19 H new ATOM 0 HB THR A 54 0.718 -7.945 5.893 1.00 0.17 H new ATOM 0 HG1 THR A 54 -1.054 -7.375 7.129 1.00 0.10 H new ATOM 0 HG21 THR A 54 1.783 -9.307 7.667 1.00 0.22 H new ATOM 0 HG22 THR A 54 2.949 -8.175 6.942 1.00 0.22 H new ATOM 0 HG23 THR A 54 2.238 -7.821 8.535 1.00 0.22 H new ATOM 836 N VAL A 55 2.267 -6.077 4.500 1.00 0.22 N ATOM 837 CA VAL A 55 3.400 -5.968 3.538 1.00 0.24 C ATOM 838 C VAL A 55 3.963 -4.546 3.573 1.00 0.23 C ATOM 839 O VAL A 55 5.094 -4.324 3.958 1.00 0.23 O ATOM 840 CB VAL A 55 2.900 -6.286 2.128 1.00 0.26 C ATOM 841 CG1 VAL A 55 4.052 -6.135 1.132 1.00 0.30 C ATOM 842 CG2 VAL A 55 2.377 -7.724 2.085 1.00 0.24 C ATOM 0 H VAL A 55 1.360 -6.285 4.082 1.00 0.22 H new ATOM 0 HA VAL A 55 4.183 -6.674 3.814 1.00 0.24 H new ATOM 0 HB VAL A 55 2.097 -5.598 1.864 1.00 0.26 H new ATOM 0 HG11 VAL A 55 3.696 -6.362 0.127 1.00 0.30 H new ATOM 0 HG12 VAL A 55 4.427 -5.112 1.162 1.00 0.30 H new ATOM 0 HG13 VAL A 55 4.854 -6.824 1.397 1.00 0.30 H new ATOM 0 HG21 VAL A 55 2.020 -7.952 1.080 1.00 0.24 H new ATOM 0 HG22 VAL A 55 3.181 -8.411 2.349 1.00 0.24 H new ATOM 0 HG23 VAL A 55 1.557 -7.834 2.795 1.00 0.24 H new ATOM 852 N LEU A 56 3.183 -3.579 3.176 1.00 0.24 N ATOM 853 CA LEU A 56 3.679 -2.175 3.192 1.00 0.23 C ATOM 854 C LEU A 56 4.337 -1.887 4.542 1.00 0.25 C ATOM 855 O LEU A 56 5.213 -1.053 4.652 1.00 0.28 O ATOM 856 CB LEU A 56 2.506 -1.213 2.980 1.00 0.25 C ATOM 857 CG LEU A 56 1.708 -1.635 1.744 1.00 0.30 C ATOM 858 CD1 LEU A 56 0.578 -0.633 1.500 1.00 0.27 C ATOM 859 CD2 LEU A 56 2.632 -1.666 0.524 1.00 0.52 C ATOM 0 H LEU A 56 2.227 -3.700 2.842 1.00 0.24 H new ATOM 0 HA LEU A 56 4.407 -2.037 2.393 1.00 0.23 H new ATOM 0 HB2 LEU A 56 1.861 -1.212 3.858 1.00 0.25 H new ATOM 0 HB3 LEU A 56 2.876 -0.195 2.856 1.00 0.25 H new ATOM 0 HG LEU A 56 1.287 -2.627 1.906 1.00 0.30 H new ATOM 0 HD11 LEU A 56 0.009 -0.933 0.620 1.00 0.27 H new ATOM 0 HD12 LEU A 56 -0.081 -0.610 2.368 1.00 0.27 H new ATOM 0 HD13 LEU A 56 1.000 0.359 1.339 1.00 0.27 H new ATOM 0 HD21 LEU A 56 2.063 -1.967 -0.356 1.00 0.52 H new ATOM 0 HD22 LEU A 56 3.054 -0.674 0.362 1.00 0.52 H new ATOM 0 HD23 LEU A 56 3.438 -2.379 0.696 1.00 0.52 H new ATOM 871 N ARG A 57 3.925 -2.575 5.571 1.00 0.26 N ATOM 872 CA ARG A 57 4.530 -2.341 6.913 1.00 0.29 C ATOM 873 C ARG A 57 6.005 -2.747 6.888 1.00 0.26 C ATOM 874 O ARG A 57 6.887 -1.921 7.010 1.00 0.28 O ATOM 875 CB ARG A 57 3.788 -3.177 7.958 1.00 0.32 C ATOM 876 CG ARG A 57 3.959 -2.538 9.338 1.00 0.22 C ATOM 877 CD ARG A 57 3.217 -3.372 10.383 1.00 0.36 C ATOM 878 NE ARG A 57 3.281 -2.683 11.703 1.00 0.86 N ATOM 879 CZ ARG A 57 2.478 -3.046 12.667 1.00 1.16 C ATOM 880 NH1 ARG A 57 1.620 -4.009 12.474 1.00 0.99 N ATOM 881 NH2 ARG A 57 2.535 -2.443 13.823 1.00 1.91 N ATOM 0 H ARG A 57 3.196 -3.288 5.541 1.00 0.26 H new ATOM 0 HA ARG A 57 4.450 -1.284 7.168 1.00 0.29 H new ATOM 0 HB2 ARG A 57 2.730 -3.241 7.704 1.00 0.32 H new ATOM 0 HB3 ARG A 57 4.176 -4.196 7.967 1.00 0.32 H new ATOM 0 HG2 ARG A 57 5.017 -2.475 9.592 1.00 0.22 H new ATOM 0 HG3 ARG A 57 3.572 -1.519 9.329 1.00 0.22 H new ATOM 0 HD2 ARG A 57 2.178 -3.511 10.083 1.00 0.36 H new ATOM 0 HD3 ARG A 57 3.663 -4.364 10.456 1.00 0.36 H new ATOM 0 HE ARG A 57 3.951 -1.929 11.853 1.00 0.86 H new ATOM 0 HH11 ARG A 57 1.576 -4.479 11.570 1.00 0.99 H new ATOM 0 HH12 ARG A 57 0.993 -4.292 13.227 1.00 0.99 H new ATOM 0 HH21 ARG A 57 3.206 -1.689 13.973 1.00 1.91 H new ATOM 0 HH22 ARG A 57 1.909 -2.725 14.577 1.00 1.91 H new ATOM 895 N GLN A 58 6.282 -4.014 6.732 1.00 0.21 N ATOM 896 CA GLN A 58 7.702 -4.465 6.705 1.00 0.19 C ATOM 897 C GLN A 58 8.417 -3.835 5.507 1.00 0.18 C ATOM 898 O GLN A 58 9.602 -4.020 5.313 1.00 0.19 O ATOM 899 CB GLN A 58 7.754 -5.991 6.587 1.00 0.14 C ATOM 900 CG GLN A 58 7.538 -6.404 5.130 1.00 0.49 C ATOM 901 CD GLN A 58 6.998 -7.835 5.079 1.00 0.49 C ATOM 902 OE1 GLN A 58 6.400 -8.235 4.100 1.00 1.47 O ATOM 903 NE2 GLN A 58 7.185 -8.625 6.099 1.00 1.47 N ATOM 0 H GLN A 58 5.588 -4.754 6.622 1.00 0.21 H new ATOM 0 HA GLN A 58 8.197 -4.156 7.626 1.00 0.19 H new ATOM 0 HB2 GLN A 58 8.717 -6.360 6.941 1.00 0.14 H new ATOM 0 HB3 GLN A 58 6.989 -6.440 7.220 1.00 0.14 H new ATOM 0 HG2 GLN A 58 6.837 -5.722 4.648 1.00 0.49 H new ATOM 0 HG3 GLN A 58 8.476 -6.338 4.579 1.00 0.49 H new ATOM 0 HE21 GLN A 58 7.687 -8.288 6.920 1.00 1.47 H new ATOM 0 HE22 GLN A 58 6.829 -9.581 6.076 1.00 1.47 H new ATOM 912 N PHE A 59 7.707 -3.096 4.697 1.00 0.19 N ATOM 913 CA PHE A 59 8.353 -2.461 3.512 1.00 0.19 C ATOM 914 C PHE A 59 9.033 -1.152 3.926 1.00 0.23 C ATOM 915 O PHE A 59 10.244 -1.071 4.000 1.00 0.25 O ATOM 916 CB PHE A 59 7.296 -2.168 2.446 1.00 0.18 C ATOM 917 CG PHE A 59 7.975 -1.690 1.184 1.00 0.18 C ATOM 918 CD1 PHE A 59 8.212 -0.324 0.992 1.00 0.15 C ATOM 919 CD2 PHE A 59 8.367 -2.613 0.208 1.00 0.28 C ATOM 920 CE1 PHE A 59 8.842 0.120 -0.176 1.00 0.18 C ATOM 921 CE2 PHE A 59 8.998 -2.169 -0.962 1.00 0.28 C ATOM 922 CZ PHE A 59 9.234 -0.802 -1.154 1.00 0.22 C ATOM 0 H PHE A 59 6.711 -2.905 4.804 1.00 0.19 H new ATOM 0 HA PHE A 59 9.101 -3.143 3.108 1.00 0.19 H new ATOM 0 HB2 PHE A 59 6.712 -3.065 2.241 1.00 0.18 H new ATOM 0 HB3 PHE A 59 6.600 -1.411 2.807 1.00 0.18 H new ATOM 0 HD1 PHE A 59 7.909 0.388 1.746 1.00 0.15 H new ATOM 0 HD2 PHE A 59 8.183 -3.667 0.356 1.00 0.28 H new ATOM 0 HE1 PHE A 59 9.026 1.174 -0.323 1.00 0.18 H new ATOM 0 HE2 PHE A 59 9.302 -2.881 -1.715 1.00 0.28 H new ATOM 0 HZ PHE A 59 9.718 -0.459 -2.056 1.00 0.22 H new ATOM 932 N TYR A 60 8.270 -0.124 4.186 1.00 0.25 N ATOM 933 CA TYR A 60 8.886 1.177 4.581 1.00 0.29 C ATOM 934 C TYR A 60 9.424 1.089 6.011 1.00 0.33 C ATOM 935 O TYR A 60 10.026 2.017 6.512 1.00 0.40 O ATOM 936 CB TYR A 60 7.838 2.294 4.496 1.00 0.30 C ATOM 937 CG TYR A 60 6.756 2.064 5.526 1.00 0.33 C ATOM 938 CD1 TYR A 60 6.972 2.416 6.865 1.00 0.36 C ATOM 939 CD2 TYR A 60 5.535 1.499 5.140 1.00 0.32 C ATOM 940 CE1 TYR A 60 5.966 2.202 7.815 1.00 0.38 C ATOM 941 CE2 TYR A 60 4.530 1.286 6.090 1.00 0.34 C ATOM 942 CZ TYR A 60 4.746 1.636 7.428 1.00 0.38 C ATOM 943 OH TYR A 60 3.754 1.426 8.365 1.00 0.40 O ATOM 0 H TYR A 60 7.251 -0.128 4.142 1.00 0.25 H new ATOM 0 HA TYR A 60 9.709 1.399 3.902 1.00 0.29 H new ATOM 0 HB2 TYR A 60 8.311 3.262 4.663 1.00 0.30 H new ATOM 0 HB3 TYR A 60 7.402 2.320 3.497 1.00 0.30 H new ATOM 0 HD1 TYR A 60 7.914 2.852 7.164 1.00 0.36 H new ATOM 0 HD2 TYR A 60 5.368 1.227 4.108 1.00 0.32 H new ATOM 0 HE1 TYR A 60 6.132 2.474 8.847 1.00 0.38 H new ATOM 0 HE2 TYR A 60 3.588 0.852 5.791 1.00 0.34 H new ATOM 0 HH TYR A 60 3.173 2.214 8.408 1.00 0.40 H new ATOM 953 N SER A 61 9.215 -0.015 6.674 1.00 0.31 N ATOM 954 CA SER A 61 9.720 -0.143 8.070 1.00 0.35 C ATOM 955 C SER A 61 11.137 -0.721 8.051 1.00 0.34 C ATOM 956 O SER A 61 12.006 -0.283 8.779 1.00 0.38 O ATOM 957 CB SER A 61 8.800 -1.073 8.863 1.00 0.35 C ATOM 958 OG SER A 61 7.480 -0.549 8.849 1.00 0.36 O ATOM 0 H SER A 61 8.719 -0.830 6.312 1.00 0.31 H new ATOM 0 HA SER A 61 9.736 0.840 8.541 1.00 0.35 H new ATOM 0 HB2 SER A 61 8.812 -2.073 8.428 1.00 0.35 H new ATOM 0 HB3 SER A 61 9.156 -1.167 9.889 1.00 0.35 H new ATOM 0 HG SER A 61 6.978 -0.948 8.108 1.00 0.36 H new ATOM 964 N HIS A 62 11.380 -1.701 7.224 1.00 0.30 N ATOM 965 CA HIS A 62 12.741 -2.304 7.162 1.00 0.31 C ATOM 966 C HIS A 62 13.584 -1.561 6.121 1.00 0.32 C ATOM 967 O HIS A 62 14.686 -1.130 6.394 1.00 0.60 O ATOM 968 CB HIS A 62 12.631 -3.778 6.770 1.00 0.26 C ATOM 969 CG HIS A 62 12.324 -4.600 7.992 1.00 0.30 C ATOM 970 ND1 HIS A 62 13.043 -5.741 8.314 1.00 1.19 N ATOM 971 CD2 HIS A 62 11.380 -4.461 8.979 1.00 1.45 C ATOM 972 CE1 HIS A 62 12.524 -6.239 9.452 1.00 0.86 C ATOM 973 NE2 HIS A 62 11.508 -5.496 9.900 1.00 0.86 N ATOM 0 H HIS A 62 10.695 -2.110 6.589 1.00 0.30 H new ATOM 0 HA HIS A 62 13.217 -2.223 8.139 1.00 0.31 H new ATOM 0 HB2 HIS A 62 11.847 -3.909 6.024 1.00 0.26 H new ATOM 0 HB3 HIS A 62 13.563 -4.115 6.316 1.00 0.26 H new ATOM 0 HD2 HIS A 62 10.649 -3.668 9.032 1.00 1.45 H new ATOM 0 HE1 HIS A 62 12.885 -7.131 9.943 1.00 0.86 H new ATOM 0 HE2 HIS A 62 10.947 -5.654 10.737 1.00 0.86 H new ATOM 981 N HIS A 63 13.075 -1.414 4.928 1.00 0.26 N ATOM 982 CA HIS A 63 13.849 -0.703 3.871 1.00 0.24 C ATOM 983 C HIS A 63 14.258 0.681 4.378 1.00 0.26 C ATOM 984 O HIS A 63 15.400 1.081 4.261 1.00 0.25 O ATOM 985 CB HIS A 63 12.981 -0.551 2.620 1.00 0.24 C ATOM 986 CG HIS A 63 12.683 -1.910 2.048 1.00 0.27 C ATOM 987 ND1 HIS A 63 13.669 -2.863 1.855 1.00 0.30 N ATOM 988 CD2 HIS A 63 11.513 -2.489 1.622 1.00 0.29 C ATOM 989 CE1 HIS A 63 13.082 -3.956 1.334 1.00 0.32 C ATOM 990 NE2 HIS A 63 11.767 -3.781 1.173 1.00 0.31 N ATOM 0 H HIS A 63 12.158 -1.755 4.640 1.00 0.26 H new ATOM 0 HA HIS A 63 14.742 -1.278 3.628 1.00 0.24 H new ATOM 0 HB2 HIS A 63 12.052 -0.038 2.869 1.00 0.24 H new ATOM 0 HB3 HIS A 63 13.495 0.062 1.880 1.00 0.24 H new ATOM 0 HD2 HIS A 63 10.543 -2.014 1.634 1.00 0.29 H new ATOM 0 HE1 HIS A 63 13.609 -4.863 1.077 1.00 0.32 H new ATOM 0 HE2 HIS A 63 11.094 -4.451 0.801 1.00 0.31 H new ATOM 998 N GLU A 64 13.338 1.417 4.938 1.00 0.27 N ATOM 999 CA GLU A 64 13.679 2.774 5.448 1.00 0.29 C ATOM 1000 C GLU A 64 14.893 2.681 6.375 1.00 0.35 C ATOM 1001 O GLU A 64 15.659 3.615 6.506 1.00 0.33 O ATOM 1002 CB GLU A 64 12.488 3.342 6.224 1.00 0.34 C ATOM 1003 CG GLU A 64 12.859 4.710 6.800 1.00 0.40 C ATOM 1004 CD GLU A 64 13.515 4.527 8.170 1.00 1.00 C ATOM 1005 OE1 GLU A 64 12.839 4.058 9.071 1.00 1.38 O ATOM 1006 OE2 GLU A 64 14.682 4.858 8.295 1.00 2.06 O ATOM 0 H GLU A 64 12.365 1.137 5.064 1.00 0.27 H new ATOM 0 HA GLU A 64 13.912 3.429 4.608 1.00 0.29 H new ATOM 0 HB2 GLU A 64 11.623 3.435 5.567 1.00 0.34 H new ATOM 0 HB3 GLU A 64 12.206 2.662 7.028 1.00 0.34 H new ATOM 0 HG2 GLU A 64 13.541 5.228 6.125 1.00 0.40 H new ATOM 0 HG3 GLU A 64 11.968 5.331 6.892 1.00 0.40 H new ATOM 1013 N LYS A 65 15.074 1.562 7.020 1.00 0.43 N ATOM 1014 CA LYS A 65 16.238 1.411 7.938 1.00 0.52 C ATOM 1015 C LYS A 65 17.462 0.956 7.141 1.00 0.50 C ATOM 1016 O LYS A 65 18.587 1.086 7.583 1.00 0.68 O ATOM 1017 CB LYS A 65 15.911 0.368 9.009 1.00 0.58 C ATOM 1018 CG LYS A 65 15.041 1.007 10.094 1.00 0.64 C ATOM 1019 CD LYS A 65 14.490 -0.085 11.015 1.00 1.05 C ATOM 1020 CE LYS A 65 13.520 0.537 12.020 1.00 1.12 C ATOM 1021 NZ LYS A 65 14.281 1.366 12.998 1.00 1.08 N ATOM 0 H LYS A 65 14.466 0.746 6.951 1.00 0.43 H new ATOM 0 HA LYS A 65 16.450 2.368 8.415 1.00 0.52 H new ATOM 0 HB2 LYS A 65 15.390 -0.478 8.561 1.00 0.58 H new ATOM 0 HB3 LYS A 65 16.831 -0.020 9.447 1.00 0.58 H new ATOM 0 HG2 LYS A 65 15.627 1.722 10.671 1.00 0.64 H new ATOM 0 HG3 LYS A 65 14.221 1.561 9.638 1.00 0.64 H new ATOM 0 HD2 LYS A 65 13.981 -0.849 10.427 1.00 1.05 H new ATOM 0 HD3 LYS A 65 15.307 -0.579 11.540 1.00 1.05 H new ATOM 0 HE2 LYS A 65 12.785 1.152 11.500 1.00 1.12 H new ATOM 0 HE3 LYS A 65 12.969 -0.245 12.542 1.00 1.12 H new ATOM 0 HZ1 LYS A 65 13.661 1.622 13.793 1.00 1.08 H new ATOM 0 HZ2 LYS A 65 15.094 0.824 13.354 1.00 1.08 H new ATOM 0 HZ3 LYS A 65 14.619 2.231 12.531 1.00 1.08 H new ATOM 1035 N ASP A 66 17.254 0.423 5.968 1.00 0.34 N ATOM 1036 CA ASP A 66 18.408 -0.038 5.144 1.00 0.33 C ATOM 1037 C ASP A 66 18.932 1.127 4.303 1.00 0.35 C ATOM 1038 O ASP A 66 18.209 2.052 3.988 1.00 0.44 O ATOM 1039 CB ASP A 66 17.954 -1.171 4.221 1.00 0.23 C ATOM 1040 CG ASP A 66 19.155 -2.047 3.861 1.00 0.37 C ATOM 1041 OD1 ASP A 66 20.073 -1.533 3.243 1.00 1.53 O ATOM 1042 OD2 ASP A 66 19.136 -3.216 4.208 1.00 0.54 O ATOM 0 H ASP A 66 16.336 0.287 5.545 1.00 0.34 H new ATOM 0 HA ASP A 66 19.202 -0.398 5.799 1.00 0.33 H new ATOM 0 HB2 ASP A 66 17.188 -1.770 4.713 1.00 0.23 H new ATOM 0 HB3 ASP A 66 17.506 -0.760 3.316 1.00 0.23 H new ATOM 1047 N THR A 67 20.186 1.091 3.939 1.00 0.31 N ATOM 1048 CA THR A 67 20.760 2.198 3.121 1.00 0.34 C ATOM 1049 C THR A 67 20.713 1.820 1.638 1.00 0.31 C ATOM 1050 O THR A 67 21.649 2.056 0.899 1.00 0.37 O ATOM 1051 CB THR A 67 22.214 2.436 3.539 1.00 0.43 C ATOM 1052 OG1 THR A 67 23.063 1.564 2.807 1.00 0.06 O ATOM 1053 CG2 THR A 67 22.366 2.166 5.035 1.00 0.77 C ATOM 0 H THR A 67 20.838 0.342 4.173 1.00 0.31 H new ATOM 0 HA THR A 67 20.179 3.106 3.281 1.00 0.34 H new ATOM 0 HB THR A 67 22.489 3.470 3.330 1.00 0.43 H new ATOM 0 HG1 THR A 67 23.069 1.829 1.864 1.00 0.06 H new ATOM 0 HG21 THR A 67 23.401 2.335 5.332 1.00 0.77 H new ATOM 0 HG22 THR A 67 21.714 2.837 5.594 1.00 0.77 H new ATOM 0 HG23 THR A 67 22.092 1.133 5.248 1.00 0.77 H new ATOM 1061 N ARG A 68 19.631 1.237 1.197 1.00 0.24 N ATOM 1062 CA ARG A 68 19.526 0.846 -0.238 1.00 0.25 C ATOM 1063 C ARG A 68 18.811 1.952 -1.017 1.00 0.27 C ATOM 1064 O ARG A 68 19.376 2.570 -1.897 1.00 0.45 O ATOM 1065 CB ARG A 68 18.727 -0.455 -0.355 1.00 0.18 C ATOM 1066 CG ARG A 68 19.400 -1.545 0.481 1.00 0.48 C ATOM 1067 CD ARG A 68 19.677 -2.766 -0.400 1.00 0.40 C ATOM 1068 NE ARG A 68 20.240 -3.862 0.436 1.00 1.52 N ATOM 1069 CZ ARG A 68 20.273 -5.083 -0.025 1.00 1.94 C ATOM 1070 NH1 ARG A 68 19.810 -5.342 -1.217 1.00 1.54 N ATOM 1071 NH2 ARG A 68 20.768 -6.044 0.706 1.00 2.90 N ATOM 0 H ARG A 68 18.816 1.015 1.768 1.00 0.24 H new ATOM 0 HA ARG A 68 20.525 0.699 -0.648 1.00 0.25 H new ATOM 0 HB2 ARG A 68 17.704 -0.298 -0.012 1.00 0.18 H new ATOM 0 HB3 ARG A 68 18.669 -0.766 -1.398 1.00 0.18 H new ATOM 0 HG2 ARG A 68 20.332 -1.170 0.905 1.00 0.48 H new ATOM 0 HG3 ARG A 68 18.759 -1.824 1.317 1.00 0.48 H new ATOM 0 HD2 ARG A 68 18.757 -3.097 -0.881 1.00 0.40 H new ATOM 0 HD3 ARG A 68 20.376 -2.504 -1.194 1.00 0.40 H new ATOM 0 HE ARG A 68 20.600 -3.659 1.369 1.00 1.52 H new ATOM 0 HH11 ARG A 68 19.423 -4.591 -1.788 1.00 1.54 H new ATOM 0 HH12 ARG A 68 19.835 -6.296 -1.578 1.00 1.54 H new ATOM 0 HH21 ARG A 68 21.129 -5.841 1.638 1.00 2.90 H new ATOM 0 HH22 ARG A 68 20.793 -6.998 0.345 1.00 2.90 H new ATOM 1085 N CYS A 69 17.569 2.201 -0.704 1.00 0.08 N ATOM 1086 CA CYS A 69 16.814 3.264 -1.426 1.00 0.09 C ATOM 1087 C CYS A 69 17.283 4.641 -0.953 1.00 0.10 C ATOM 1088 O CYS A 69 16.779 5.659 -1.382 1.00 0.20 O ATOM 1089 CB CYS A 69 15.320 3.103 -1.144 1.00 0.12 C ATOM 1090 SG CYS A 69 14.874 1.352 -1.254 1.00 0.17 S ATOM 0 H CYS A 69 17.044 1.713 0.022 1.00 0.08 H new ATOM 0 HA CYS A 69 16.994 3.175 -2.497 1.00 0.09 H new ATOM 0 HB2 CYS A 69 15.082 3.489 -0.153 1.00 0.12 H new ATOM 0 HB3 CYS A 69 14.739 3.684 -1.860 1.00 0.12 H new ATOM 1095 N LEU A 70 18.247 4.681 -0.072 1.00 0.17 N ATOM 1096 CA LEU A 70 18.751 5.992 0.425 1.00 0.16 C ATOM 1097 C LEU A 70 19.968 6.416 -0.400 1.00 0.43 C ATOM 1098 O LEU A 70 19.926 7.385 -1.133 1.00 0.42 O ATOM 1099 CB LEU A 70 19.154 5.862 1.896 1.00 0.45 C ATOM 1100 CG LEU A 70 18.037 5.166 2.675 1.00 0.60 C ATOM 1101 CD1 LEU A 70 18.383 5.154 4.165 1.00 0.84 C ATOM 1102 CD2 LEU A 70 16.723 5.922 2.465 1.00 1.36 C ATOM 0 H LEU A 70 18.707 3.861 0.324 1.00 0.17 H new ATOM 0 HA LEU A 70 17.966 6.742 0.329 1.00 0.16 H new ATOM 0 HB2 LEU A 70 20.080 5.293 1.981 1.00 0.45 H new ATOM 0 HB3 LEU A 70 19.346 6.848 2.319 1.00 0.45 H new ATOM 0 HG LEU A 70 17.930 4.141 2.319 1.00 0.60 H new ATOM 0 HD11 LEU A 70 17.586 4.658 4.720 1.00 0.84 H new ATOM 0 HD12 LEU A 70 19.320 4.617 4.317 1.00 0.84 H new ATOM 0 HD13 LEU A 70 18.490 6.178 4.522 1.00 0.84 H new ATOM 0 HD21 LEU A 70 15.926 5.427 3.020 1.00 1.36 H new ATOM 0 HD22 LEU A 70 16.831 6.946 2.822 1.00 1.36 H new ATOM 0 HD23 LEU A 70 16.475 5.932 1.404 1.00 1.36 H new ATOM 1114 N GLY A 71 21.050 5.696 -0.291 1.00 0.94 N ATOM 1115 CA GLY A 71 22.267 6.057 -1.071 1.00 1.26 C ATOM 1116 C GLY A 71 22.936 7.281 -0.442 1.00 1.04 C ATOM 1117 O GLY A 71 22.471 7.812 0.547 1.00 1.25 O ATOM 0 H GLY A 71 21.144 4.873 0.304 1.00 0.94 H new ATOM 0 HA2 GLY A 71 22.963 5.218 -1.087 1.00 1.26 H new ATOM 0 HA3 GLY A 71 21.998 6.269 -2.106 1.00 1.26 H new ATOM 1121 N ALA A 72 24.022 7.731 -1.008 1.00 1.44 N ATOM 1122 CA ALA A 72 24.722 8.920 -0.445 1.00 1.18 C ATOM 1123 C ALA A 72 24.254 10.180 -1.174 1.00 0.91 C ATOM 1124 O ALA A 72 24.320 11.275 -0.649 1.00 0.68 O ATOM 1125 CB ALA A 72 26.232 8.757 -0.627 1.00 1.44 C ATOM 0 H ALA A 72 24.456 7.326 -1.838 1.00 1.44 H new ATOM 0 HA ALA A 72 24.491 9.008 0.617 1.00 1.18 H new ATOM 0 HB1 ALA A 72 26.744 9.627 -0.215 1.00 1.44 H new ATOM 0 HB2 ALA A 72 26.566 7.859 -0.107 1.00 1.44 H new ATOM 0 HB3 ALA A 72 26.463 8.669 -1.689 1.00 1.44 H new ATOM 1131 N THR A 73 23.780 10.037 -2.382 1.00 1.05 N ATOM 1132 CA THR A 73 23.309 11.228 -3.144 1.00 0.97 C ATOM 1133 C THR A 73 22.287 11.998 -2.305 1.00 0.88 C ATOM 1134 O THR A 73 21.577 11.429 -1.500 1.00 0.84 O ATOM 1135 CB THR A 73 22.656 10.771 -4.451 1.00 1.32 C ATOM 1136 OG1 THR A 73 21.375 10.225 -4.172 1.00 1.42 O ATOM 1137 CG2 THR A 73 23.532 9.709 -5.117 1.00 2.58 C ATOM 0 H THR A 73 23.699 9.147 -2.874 1.00 1.05 H new ATOM 0 HA THR A 73 24.157 11.875 -3.368 1.00 0.97 H new ATOM 0 HB THR A 73 22.550 11.623 -5.122 1.00 1.32 H new ATOM 0 HG1 THR A 73 21.329 9.307 -4.513 1.00 1.42 H new ATOM 0 HG21 THR A 73 23.066 9.384 -6.047 1.00 2.58 H new ATOM 0 HG22 THR A 73 24.515 10.130 -5.331 1.00 2.58 H new ATOM 0 HG23 THR A 73 23.640 8.855 -4.448 1.00 2.58 H new ATOM 1145 N ALA A 74 22.208 13.287 -2.487 1.00 0.87 N ATOM 1146 CA ALA A 74 21.232 14.093 -1.700 1.00 0.80 C ATOM 1147 C ALA A 74 19.901 14.155 -2.450 1.00 0.78 C ATOM 1148 O ALA A 74 18.845 14.246 -1.853 1.00 0.79 O ATOM 1149 CB ALA A 74 21.777 15.510 -1.508 1.00 0.81 C ATOM 0 H ALA A 74 22.777 13.818 -3.147 1.00 0.87 H new ATOM 0 HA ALA A 74 21.079 13.629 -0.726 1.00 0.80 H new ATOM 0 HB1 ALA A 74 21.063 16.099 -0.932 1.00 0.81 H new ATOM 0 HB2 ALA A 74 22.726 15.466 -0.973 1.00 0.81 H new ATOM 0 HB3 ALA A 74 21.931 15.976 -2.481 1.00 0.81 H new ATOM 1155 N GLN A 75 19.939 14.109 -3.753 1.00 0.79 N ATOM 1156 CA GLN A 75 18.675 14.166 -4.540 1.00 0.84 C ATOM 1157 C GLN A 75 17.854 12.902 -4.277 1.00 0.75 C ATOM 1158 O GLN A 75 16.639 12.926 -4.290 1.00 0.79 O ATOM 1159 CB GLN A 75 19.005 14.258 -6.031 1.00 1.03 C ATOM 1160 CG GLN A 75 20.115 13.263 -6.373 1.00 1.14 C ATOM 1161 CD GLN A 75 21.437 14.013 -6.552 1.00 1.88 C ATOM 1162 OE1 GLN A 75 22.235 13.667 -7.399 1.00 2.22 O ATOM 1163 NE2 GLN A 75 21.703 15.033 -5.783 1.00 2.89 N ATOM 0 H GLN A 75 20.792 14.034 -4.307 1.00 0.79 H new ATOM 0 HA GLN A 75 18.100 15.042 -4.241 1.00 0.84 H new ATOM 0 HB2 GLN A 75 18.116 14.045 -6.624 1.00 1.03 H new ATOM 0 HB3 GLN A 75 19.320 15.271 -6.282 1.00 1.03 H new ATOM 0 HG2 GLN A 75 20.210 12.521 -5.580 1.00 1.14 H new ATOM 0 HG3 GLN A 75 19.865 12.723 -7.286 1.00 1.14 H new ATOM 0 HE21 GLN A 75 21.033 15.324 -5.071 1.00 2.89 H new ATOM 0 HE22 GLN A 75 22.581 15.540 -5.894 1.00 2.89 H new ATOM 1172 N GLN A 76 18.506 11.798 -4.037 1.00 0.72 N ATOM 1173 CA GLN A 76 17.761 10.534 -3.774 1.00 0.64 C ATOM 1174 C GLN A 76 17.287 10.515 -2.320 1.00 0.51 C ATOM 1175 O GLN A 76 16.264 9.946 -1.997 1.00 0.43 O ATOM 1176 CB GLN A 76 18.679 9.337 -4.028 1.00 0.76 C ATOM 1177 CG GLN A 76 17.847 8.055 -4.069 1.00 0.98 C ATOM 1178 CD GLN A 76 18.746 6.873 -4.437 1.00 1.69 C ATOM 1179 OE1 GLN A 76 19.326 6.245 -3.574 1.00 2.74 O ATOM 1180 NE2 GLN A 76 18.886 6.541 -5.692 1.00 1.60 N ATOM 0 H GLN A 76 19.522 11.716 -4.012 1.00 0.72 H new ATOM 0 HA GLN A 76 16.899 10.476 -4.438 1.00 0.64 H new ATOM 0 HB2 GLN A 76 19.212 9.467 -4.970 1.00 0.76 H new ATOM 0 HB3 GLN A 76 19.432 9.270 -3.243 1.00 0.76 H new ATOM 0 HG2 GLN A 76 17.379 7.882 -3.100 1.00 0.98 H new ATOM 0 HG3 GLN A 76 17.043 8.154 -4.798 1.00 0.98 H new ATOM 0 HE21 GLN A 76 18.399 7.068 -6.416 1.00 1.60 H new ATOM 0 HE22 GLN A 76 19.482 5.754 -5.948 1.00 1.60 H new ATOM 1189 N PHE A 77 18.025 11.133 -1.439 1.00 0.53 N ATOM 1190 CA PHE A 77 17.617 11.151 -0.007 1.00 0.48 C ATOM 1191 C PHE A 77 16.285 11.890 0.134 1.00 0.36 C ATOM 1192 O PHE A 77 15.407 11.474 0.863 1.00 0.34 O ATOM 1193 CB PHE A 77 18.688 11.867 0.820 1.00 0.55 C ATOM 1194 CG PHE A 77 18.382 11.705 2.290 1.00 0.63 C ATOM 1195 CD1 PHE A 77 18.799 10.554 2.968 1.00 0.63 C ATOM 1196 CD2 PHE A 77 17.682 12.706 2.974 1.00 0.71 C ATOM 1197 CE1 PHE A 77 18.516 10.404 4.332 1.00 0.70 C ATOM 1198 CE2 PHE A 77 17.398 12.556 4.336 1.00 0.79 C ATOM 1199 CZ PHE A 77 17.815 11.405 5.016 1.00 0.78 C ATOM 0 H PHE A 77 18.893 11.626 -1.650 1.00 0.53 H new ATOM 0 HA PHE A 77 17.505 10.128 0.352 1.00 0.48 H new ATOM 0 HB2 PHE A 77 19.672 11.455 0.595 1.00 0.55 H new ATOM 0 HB3 PHE A 77 18.718 12.925 0.558 1.00 0.55 H new ATOM 0 HD1 PHE A 77 19.339 9.782 2.440 1.00 0.63 H new ATOM 0 HD2 PHE A 77 17.361 13.594 2.450 1.00 0.71 H new ATOM 0 HE1 PHE A 77 18.838 9.516 4.856 1.00 0.70 H new ATOM 0 HE2 PHE A 77 16.857 13.328 4.863 1.00 0.79 H new ATOM 0 HZ PHE A 77 17.596 11.289 6.067 1.00 0.78 H new ATOM 1209 N HIS A 78 16.127 12.985 -0.560 1.00 0.49 N ATOM 1210 CA HIS A 78 14.850 13.748 -0.466 1.00 0.59 C ATOM 1211 C HIS A 78 13.752 12.995 -1.221 1.00 0.57 C ATOM 1212 O HIS A 78 12.706 12.697 -0.678 1.00 0.57 O ATOM 1213 CB HIS A 78 15.037 15.133 -1.087 1.00 0.81 C ATOM 1214 CG HIS A 78 13.898 16.024 -0.675 1.00 0.97 C ATOM 1215 ND1 HIS A 78 13.880 17.381 -0.959 1.00 1.18 N ATOM 1216 CD2 HIS A 78 12.730 15.767 0.000 1.00 0.97 C ATOM 1217 CE1 HIS A 78 12.737 17.885 -0.460 1.00 1.33 C ATOM 1218 NE2 HIS A 78 11.998 16.943 0.135 1.00 1.21 N ATOM 0 H HIS A 78 16.826 13.383 -1.187 1.00 0.49 H new ATOM 0 HA HIS A 78 14.565 13.855 0.581 1.00 0.59 H new ATOM 0 HB2 HIS A 78 15.985 15.563 -0.764 1.00 0.81 H new ATOM 0 HB3 HIS A 78 15.077 15.054 -2.173 1.00 0.81 H new ATOM 0 HD2 HIS A 78 12.426 14.799 0.370 1.00 0.97 H new ATOM 0 HE1 HIS A 78 12.451 18.924 -0.531 1.00 1.33 H new ATOM 0 HE2 HIS A 78 11.093 17.061 0.590 1.00 1.21 H new ATOM 1226 N ARG A 79 13.982 12.682 -2.467 1.00 0.60 N ATOM 1227 CA ARG A 79 12.951 11.948 -3.253 1.00 0.59 C ATOM 1228 C ARG A 79 12.554 10.674 -2.505 1.00 0.49 C ATOM 1229 O ARG A 79 11.523 10.086 -2.765 1.00 0.61 O ATOM 1230 CB ARG A 79 13.524 11.577 -4.623 1.00 0.64 C ATOM 1231 CG ARG A 79 12.744 12.306 -5.718 1.00 0.65 C ATOM 1232 CD ARG A 79 13.342 11.966 -7.084 1.00 0.77 C ATOM 1233 NE ARG A 79 14.277 13.049 -7.500 1.00 1.58 N ATOM 1234 CZ ARG A 79 15.122 12.844 -8.474 1.00 2.09 C ATOM 1235 NH1 ARG A 79 15.148 11.689 -9.081 1.00 1.80 N ATOM 1236 NH2 ARG A 79 15.941 13.793 -8.839 1.00 3.01 N ATOM 0 H ARG A 79 14.839 12.903 -2.974 1.00 0.60 H new ATOM 0 HA ARG A 79 12.074 12.581 -3.385 1.00 0.59 H new ATOM 0 HB2 ARG A 79 14.579 11.847 -4.673 1.00 0.64 H new ATOM 0 HB3 ARG A 79 13.463 10.499 -4.775 1.00 0.64 H new ATOM 0 HG2 ARG A 79 11.694 12.015 -5.686 1.00 0.65 H new ATOM 0 HG3 ARG A 79 12.782 13.382 -5.551 1.00 0.65 H new ATOM 0 HD2 ARG A 79 13.870 11.014 -7.035 1.00 0.77 H new ATOM 0 HD3 ARG A 79 12.548 11.853 -7.822 1.00 0.77 H new ATOM 0 HE ARG A 79 14.257 13.951 -7.024 1.00 1.58 H new ATOM 0 HH11 ARG A 79 14.509 10.948 -8.794 1.00 1.80 H new ATOM 0 HH12 ARG A 79 15.808 11.528 -9.842 1.00 1.80 H new ATOM 0 HH21 ARG A 79 15.921 14.695 -8.363 1.00 3.01 H new ATOM 0 HH22 ARG A 79 16.601 13.632 -9.600 1.00 3.01 H new ATOM 1250 N HIS A 80 13.364 10.244 -1.577 1.00 0.33 N ATOM 1251 CA HIS A 80 13.033 9.009 -0.813 1.00 0.31 C ATOM 1252 C HIS A 80 12.188 9.376 0.409 1.00 0.31 C ATOM 1253 O HIS A 80 11.138 8.810 0.641 1.00 0.35 O ATOM 1254 CB HIS A 80 14.327 8.333 -0.353 1.00 0.33 C ATOM 1255 CG HIS A 80 13.993 7.127 0.480 1.00 0.45 C ATOM 1256 ND1 HIS A 80 13.547 5.940 -0.083 1.00 0.59 N ATOM 1257 CD2 HIS A 80 14.033 6.907 1.835 1.00 0.48 C ATOM 1258 CE1 HIS A 80 13.339 5.069 0.921 1.00 0.68 C ATOM 1259 NE2 HIS A 80 13.620 5.607 2.111 1.00 0.61 N ATOM 0 H HIS A 80 14.241 10.695 -1.315 1.00 0.33 H new ATOM 0 HA HIS A 80 12.472 8.326 -1.451 1.00 0.31 H new ATOM 0 HB2 HIS A 80 14.923 8.038 -1.217 1.00 0.33 H new ATOM 0 HB3 HIS A 80 14.930 9.033 0.226 1.00 0.33 H new ATOM 0 HD2 HIS A 80 14.339 7.633 2.574 1.00 0.48 H new ATOM 0 HE1 HIS A 80 12.987 4.057 0.782 1.00 0.68 H new ATOM 0 HE2 HIS A 80 13.547 5.161 3.025 1.00 0.61 H new ATOM 1267 N LYS A 81 12.638 10.318 1.193 1.00 0.32 N ATOM 1268 CA LYS A 81 11.859 10.719 2.398 1.00 0.39 C ATOM 1269 C LYS A 81 10.391 10.917 2.014 1.00 0.37 C ATOM 1270 O LYS A 81 9.493 10.522 2.731 1.00 0.40 O ATOM 1271 CB LYS A 81 12.421 12.028 2.956 1.00 0.55 C ATOM 1272 CG LYS A 81 13.690 11.738 3.759 1.00 0.50 C ATOM 1273 CD LYS A 81 13.333 11.579 5.238 1.00 0.81 C ATOM 1274 CE LYS A 81 14.569 11.122 6.016 1.00 0.33 C ATOM 1275 NZ LYS A 81 15.114 9.881 5.398 1.00 1.93 N ATOM 0 H LYS A 81 13.511 10.826 1.051 1.00 0.32 H new ATOM 0 HA LYS A 81 11.934 9.939 3.155 1.00 0.39 H new ATOM 0 HB2 LYS A 81 12.643 12.717 2.141 1.00 0.55 H new ATOM 0 HB3 LYS A 81 11.679 12.513 3.591 1.00 0.55 H new ATOM 0 HG2 LYS A 81 14.167 10.830 3.390 1.00 0.50 H new ATOM 0 HG3 LYS A 81 14.407 12.549 3.632 1.00 0.50 H new ATOM 0 HD2 LYS A 81 12.967 12.525 5.638 1.00 0.81 H new ATOM 0 HD3 LYS A 81 12.529 10.852 5.353 1.00 0.81 H new ATOM 0 HE2 LYS A 81 15.326 11.906 6.011 1.00 0.33 H new ATOM 0 HE3 LYS A 81 14.308 10.938 7.058 1.00 0.33 H new ATOM 0 HZ1 LYS A 81 15.327 9.187 6.143 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 14.412 9.482 4.743 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 15.985 10.107 4.876 1.00 1.93 H new ATOM 1289 N GLN A 82 10.139 11.524 0.887 1.00 0.45 N ATOM 1290 CA GLN A 82 8.730 11.746 0.458 1.00 0.48 C ATOM 1291 C GLN A 82 8.041 10.395 0.260 1.00 0.40 C ATOM 1292 O GLN A 82 6.957 10.161 0.758 1.00 0.31 O ATOM 1293 CB GLN A 82 8.714 12.524 -0.859 1.00 0.55 C ATOM 1294 CG GLN A 82 7.763 13.717 -0.736 1.00 0.34 C ATOM 1295 CD GLN A 82 7.628 14.405 -2.097 1.00 0.76 C ATOM 1296 OE1 GLN A 82 7.623 13.753 -3.122 1.00 1.75 O ATOM 1297 NE2 GLN A 82 7.518 15.704 -2.149 1.00 0.91 N ATOM 0 H GLN A 82 10.849 11.876 0.244 1.00 0.45 H new ATOM 0 HA GLN A 82 8.202 12.316 1.222 1.00 0.48 H new ATOM 0 HB2 GLN A 82 9.719 12.870 -1.101 1.00 0.55 H new ATOM 0 HB3 GLN A 82 8.395 11.874 -1.674 1.00 0.55 H new ATOM 0 HG2 GLN A 82 6.786 13.382 -0.387 1.00 0.34 H new ATOM 0 HG3 GLN A 82 8.141 14.422 0.004 1.00 0.34 H new ATOM 0 HE21 GLN A 82 7.522 16.251 -1.288 1.00 0.91 H new ATOM 0 HE22 GLN A 82 7.428 16.172 -3.051 1.00 0.91 H new ATOM 1306 N LEU A 83 8.660 9.503 -0.463 1.00 0.45 N ATOM 1307 CA LEU A 83 8.040 8.168 -0.693 1.00 0.39 C ATOM 1308 C LEU A 83 7.596 7.576 0.648 1.00 0.35 C ATOM 1309 O LEU A 83 6.433 7.293 0.857 1.00 0.35 O ATOM 1310 CB LEU A 83 9.064 7.238 -1.349 1.00 0.32 C ATOM 1311 CG LEU A 83 8.338 6.147 -2.140 1.00 0.31 C ATOM 1312 CD1 LEU A 83 9.366 5.239 -2.818 1.00 0.28 C ATOM 1313 CD2 LEU A 83 7.475 5.314 -1.189 1.00 0.26 C ATOM 0 H LEU A 83 9.569 9.641 -0.905 1.00 0.45 H new ATOM 0 HA LEU A 83 7.175 8.275 -1.347 1.00 0.39 H new ATOM 0 HB2 LEU A 83 9.716 7.808 -2.011 1.00 0.32 H new ATOM 0 HB3 LEU A 83 9.700 6.786 -0.587 1.00 0.32 H new ATOM 0 HG LEU A 83 7.704 6.610 -2.896 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.850 4.462 -3.381 1.00 0.28 H new ATOM 0 HD12 LEU A 83 9.982 5.830 -3.496 1.00 0.28 H new ATOM 0 HD13 LEU A 83 10.000 4.778 -2.061 1.00 0.28 H new ATOM 0 HD21 LEU A 83 6.958 4.537 -1.753 1.00 0.26 H new ATOM 0 HD22 LEU A 83 8.109 4.852 -0.432 1.00 0.26 H new ATOM 0 HD23 LEU A 83 6.742 5.959 -0.704 1.00 0.26 H new ATOM 1325 N ILE A 84 8.513 7.385 1.556 1.00 0.33 N ATOM 1326 CA ILE A 84 8.145 6.812 2.880 1.00 0.32 C ATOM 1327 C ILE A 84 7.005 7.629 3.493 1.00 0.32 C ATOM 1328 O ILE A 84 6.024 7.087 3.961 1.00 0.46 O ATOM 1329 CB ILE A 84 9.359 6.857 3.812 1.00 0.32 C ATOM 1330 CG1 ILE A 84 10.591 6.308 3.083 1.00 0.39 C ATOM 1331 CG2 ILE A 84 9.084 6.013 5.058 1.00 0.34 C ATOM 1332 CD1 ILE A 84 10.261 4.957 2.443 1.00 0.44 C ATOM 0 H ILE A 84 9.503 7.602 1.437 1.00 0.33 H new ATOM 0 HA ILE A 84 7.823 5.779 2.749 1.00 0.32 H new ATOM 0 HB ILE A 84 9.545 7.889 4.108 1.00 0.32 H new ATOM 0 HG12 ILE A 84 10.915 7.013 2.317 1.00 0.39 H new ATOM 0 HG13 ILE A 84 11.418 6.196 3.784 1.00 0.39 H new ATOM 0 HG21 ILE A 84 9.950 6.047 5.719 1.00 0.34 H new ATOM 0 HG22 ILE A 84 8.213 6.408 5.580 1.00 0.34 H new ATOM 0 HG23 ILE A 84 8.893 4.981 4.764 1.00 0.34 H new ATOM 0 HD11 ILE A 84 11.142 4.574 1.927 1.00 0.44 H new ATOM 0 HD12 ILE A 84 9.959 4.252 3.217 1.00 0.44 H new ATOM 0 HD13 ILE A 84 9.448 5.082 1.728 1.00 0.44 H new ATOM 1344 N ARG A 85 7.125 8.927 3.495 1.00 0.22 N ATOM 1345 CA ARG A 85 6.048 9.774 4.080 1.00 0.30 C ATOM 1346 C ARG A 85 4.689 9.321 3.541 1.00 0.26 C ATOM 1347 O ARG A 85 3.760 9.085 4.288 1.00 0.32 O ATOM 1348 CB ARG A 85 6.285 11.236 3.697 1.00 0.37 C ATOM 1349 CG ARG A 85 5.780 12.148 4.816 1.00 0.68 C ATOM 1350 CD ARG A 85 6.866 12.298 5.883 1.00 0.61 C ATOM 1351 NE ARG A 85 6.231 12.514 7.213 1.00 1.24 N ATOM 1352 CZ ARG A 85 6.935 12.374 8.303 1.00 2.23 C ATOM 1353 NH1 ARG A 85 8.197 12.049 8.227 1.00 2.97 N ATOM 1354 NH2 ARG A 85 6.378 12.563 9.468 1.00 2.87 N ATOM 0 H ARG A 85 7.922 9.438 3.117 1.00 0.22 H new ATOM 0 HA ARG A 85 6.059 9.675 5.165 1.00 0.30 H new ATOM 0 HB2 ARG A 85 7.347 11.410 3.524 1.00 0.37 H new ATOM 0 HB3 ARG A 85 5.769 11.467 2.765 1.00 0.37 H new ATOM 0 HG2 ARG A 85 5.516 13.125 4.412 1.00 0.68 H new ATOM 0 HG3 ARG A 85 4.876 11.731 5.259 1.00 0.68 H new ATOM 0 HD2 ARG A 85 7.492 11.406 5.908 1.00 0.61 H new ATOM 0 HD3 ARG A 85 7.517 13.137 5.639 1.00 0.61 H new ATOM 0 HE ARG A 85 5.246 12.771 7.272 1.00 1.24 H new ATOM 0 HH11 ARG A 85 8.632 11.905 7.316 1.00 2.97 H new ATOM 0 HH12 ARG A 85 8.748 11.939 9.079 1.00 2.97 H new ATOM 0 HH21 ARG A 85 5.393 12.820 9.527 1.00 2.87 H new ATOM 0 HH22 ARG A 85 6.928 12.454 10.320 1.00 2.87 H new ATOM 1368 N PHE A 86 4.566 9.200 2.248 1.00 0.24 N ATOM 1369 CA PHE A 86 3.268 8.766 1.659 1.00 0.28 C ATOM 1370 C PHE A 86 2.903 7.375 2.183 1.00 0.26 C ATOM 1371 O PHE A 86 1.853 7.176 2.761 1.00 0.40 O ATOM 1372 CB PHE A 86 3.392 8.721 0.135 1.00 0.39 C ATOM 1373 CG PHE A 86 3.209 10.111 -0.425 1.00 0.37 C ATOM 1374 CD1 PHE A 86 1.937 10.694 -0.449 1.00 0.64 C ATOM 1375 CD2 PHE A 86 4.311 10.816 -0.921 1.00 0.18 C ATOM 1376 CE1 PHE A 86 1.767 11.983 -0.969 1.00 0.70 C ATOM 1377 CE2 PHE A 86 4.142 12.106 -1.440 1.00 0.19 C ATOM 1378 CZ PHE A 86 2.870 12.688 -1.464 1.00 0.48 C ATOM 0 H PHE A 86 5.309 9.383 1.573 1.00 0.24 H new ATOM 0 HA PHE A 86 2.488 9.473 1.942 1.00 0.28 H new ATOM 0 HB2 PHE A 86 4.368 8.328 -0.150 1.00 0.39 H new ATOM 0 HB3 PHE A 86 2.643 8.048 -0.282 1.00 0.39 H new ATOM 0 HD1 PHE A 86 1.086 10.150 -0.066 1.00 0.64 H new ATOM 0 HD2 PHE A 86 5.292 10.365 -0.904 1.00 0.18 H new ATOM 0 HE1 PHE A 86 0.785 12.433 -0.988 1.00 0.70 H new ATOM 0 HE2 PHE A 86 4.993 12.651 -1.821 1.00 0.19 H new ATOM 0 HZ PHE A 86 2.739 13.682 -1.865 1.00 0.48 H new ATOM 1388 N LEU A 87 3.759 6.410 1.983 1.00 0.26 N ATOM 1389 CA LEU A 87 3.454 5.035 2.468 1.00 0.23 C ATOM 1390 C LEU A 87 3.010 5.093 3.931 1.00 0.19 C ATOM 1391 O LEU A 87 2.104 4.398 4.342 1.00 0.05 O ATOM 1392 CB LEU A 87 4.705 4.160 2.346 1.00 0.26 C ATOM 1393 CG LEU A 87 4.664 3.386 1.024 1.00 0.69 C ATOM 1394 CD1 LEU A 87 6.024 2.731 0.778 1.00 0.54 C ATOM 1395 CD2 LEU A 87 3.584 2.298 1.083 1.00 1.23 C ATOM 0 H LEU A 87 4.654 6.514 1.506 1.00 0.26 H new ATOM 0 HA LEU A 87 2.653 4.608 1.865 1.00 0.23 H new ATOM 0 HB2 LEU A 87 5.600 4.780 2.388 1.00 0.26 H new ATOM 0 HB3 LEU A 87 4.758 3.465 3.184 1.00 0.26 H new ATOM 0 HG LEU A 87 4.432 4.078 0.214 1.00 0.69 H new ATOM 0 HD11 LEU A 87 5.998 2.180 -0.162 1.00 0.54 H new ATOM 0 HD12 LEU A 87 6.794 3.500 0.726 1.00 0.54 H new ATOM 0 HD13 LEU A 87 6.251 2.045 1.595 1.00 0.54 H new ATOM 0 HD21 LEU A 87 3.563 1.754 0.139 1.00 1.23 H new ATOM 0 HD22 LEU A 87 3.808 1.606 1.895 1.00 1.23 H new ATOM 0 HD23 LEU A 87 2.612 2.759 1.257 1.00 1.23 H new ATOM 1407 N LYS A 88 3.642 5.918 4.719 1.00 0.38 N ATOM 1408 CA LYS A 88 3.255 6.020 6.155 1.00 0.35 C ATOM 1409 C LYS A 88 1.833 6.577 6.262 1.00 0.30 C ATOM 1410 O LYS A 88 1.115 6.293 7.199 1.00 0.27 O ATOM 1411 CB LYS A 88 4.224 6.958 6.880 1.00 0.44 C ATOM 1412 CG LYS A 88 5.630 6.350 6.879 1.00 1.17 C ATOM 1413 CD LYS A 88 6.149 6.246 8.319 1.00 0.45 C ATOM 1414 CE LYS A 88 5.280 5.274 9.123 1.00 1.73 C ATOM 1415 NZ LYS A 88 4.367 6.044 10.014 1.00 2.63 N ATOM 0 H LYS A 88 4.409 6.526 4.431 1.00 0.38 H new ATOM 0 HA LYS A 88 3.295 5.031 6.612 1.00 0.35 H new ATOM 0 HB2 LYS A 88 4.238 7.931 6.390 1.00 0.44 H new ATOM 0 HB3 LYS A 88 3.889 7.122 7.904 1.00 0.44 H new ATOM 0 HG2 LYS A 88 5.610 5.363 6.417 1.00 1.17 H new ATOM 0 HG3 LYS A 88 6.303 6.967 6.283 1.00 1.17 H new ATOM 0 HD2 LYS A 88 7.184 5.904 8.317 1.00 0.45 H new ATOM 0 HD3 LYS A 88 6.139 7.229 8.789 1.00 0.45 H new ATOM 0 HE2 LYS A 88 4.701 4.644 8.448 1.00 1.73 H new ATOM 0 HE3 LYS A 88 5.910 4.611 9.716 1.00 1.73 H new ATOM 0 HZ1 LYS A 88 4.504 5.739 10.999 1.00 2.63 H new ATOM 0 HZ2 LYS A 88 4.578 7.059 9.933 1.00 2.63 H new ATOM 0 HZ3 LYS A 88 3.381 5.872 9.733 1.00 2.63 H new ATOM 1429 N ARG A 89 1.424 7.371 5.311 1.00 0.38 N ATOM 1430 CA ARG A 89 0.051 7.948 5.361 1.00 0.33 C ATOM 1431 C ARG A 89 -0.973 6.876 4.977 1.00 0.26 C ATOM 1432 O ARG A 89 -1.738 6.412 5.801 1.00 0.24 O ATOM 1433 CB ARG A 89 -0.046 9.119 4.381 1.00 0.39 C ATOM 1434 CG ARG A 89 -1.398 9.815 4.546 1.00 0.45 C ATOM 1435 CD ARG A 89 -1.182 11.234 5.075 1.00 1.12 C ATOM 1436 NE ARG A 89 -0.378 11.180 6.328 1.00 2.09 N ATOM 1437 CZ ARG A 89 0.178 12.265 6.794 1.00 2.90 C ATOM 1438 NH1 ARG A 89 0.028 13.397 6.163 1.00 2.73 N ATOM 1439 NH2 ARG A 89 0.883 12.218 7.891 1.00 4.07 N ATOM 0 H ARG A 89 1.981 7.645 4.502 1.00 0.38 H new ATOM 0 HA ARG A 89 -0.156 8.300 6.372 1.00 0.33 H new ATOM 0 HB2 ARG A 89 0.763 9.826 4.563 1.00 0.39 H new ATOM 0 HB3 ARG A 89 0.068 8.761 3.358 1.00 0.39 H new ATOM 0 HG2 ARG A 89 -1.921 9.848 3.590 1.00 0.45 H new ATOM 0 HG3 ARG A 89 -2.027 9.251 5.234 1.00 0.45 H new ATOM 0 HD2 ARG A 89 -0.669 11.838 4.327 1.00 1.12 H new ATOM 0 HD3 ARG A 89 -2.143 11.712 5.267 1.00 1.12 H new ATOM 0 HE ARG A 89 -0.262 10.295 6.822 1.00 2.09 H new ATOM 0 HH11 ARG A 89 -0.524 13.434 5.306 1.00 2.73 H new ATOM 0 HH12 ARG A 89 0.462 14.245 6.527 1.00 2.73 H new ATOM 0 HH21 ARG A 89 1.000 11.333 8.385 1.00 4.07 H new ATOM 0 HH22 ARG A 89 1.317 13.066 8.255 1.00 4.07 H new ATOM 1453 N LEU A 90 -0.996 6.481 3.734 1.00 0.24 N ATOM 1454 CA LEU A 90 -1.974 5.444 3.302 1.00 0.18 C ATOM 1455 C LEU A 90 -1.793 4.182 4.148 1.00 0.16 C ATOM 1456 O LEU A 90 -2.611 3.285 4.122 1.00 0.17 O ATOM 1457 CB LEU A 90 -1.748 5.108 1.825 1.00 0.19 C ATOM 1458 CG LEU A 90 -0.318 4.602 1.623 1.00 0.25 C ATOM 1459 CD1 LEU A 90 -0.331 3.082 1.458 1.00 0.23 C ATOM 1460 CD2 LEU A 90 0.275 5.245 0.367 1.00 0.30 C ATOM 0 H LEU A 90 -0.381 6.831 3.000 1.00 0.24 H new ATOM 0 HA LEU A 90 -2.986 5.826 3.435 1.00 0.18 H new ATOM 0 HB2 LEU A 90 -2.461 4.350 1.502 1.00 0.19 H new ATOM 0 HB3 LEU A 90 -1.921 5.992 1.211 1.00 0.19 H new ATOM 0 HG LEU A 90 0.287 4.867 2.490 1.00 0.25 H new ATOM 0 HD11 LEU A 90 0.688 2.723 1.314 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -0.755 2.623 2.351 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -0.935 2.815 0.591 1.00 0.23 H new ATOM 0 HD21 LEU A 90 1.294 4.886 0.221 1.00 0.30 H new ATOM 0 HD22 LEU A 90 -0.331 4.979 -0.499 1.00 0.30 H new ATOM 0 HD23 LEU A 90 0.285 6.329 0.483 1.00 0.30 H new ATOM 1472 N ASP A 91 -0.731 4.106 4.902 1.00 0.41 N ATOM 1473 CA ASP A 91 -0.505 2.901 5.750 1.00 0.41 C ATOM 1474 C ASP A 91 -1.505 2.902 6.907 1.00 0.39 C ATOM 1475 O ASP A 91 -2.018 1.872 7.297 1.00 0.37 O ATOM 1476 CB ASP A 91 0.919 2.927 6.307 1.00 0.48 C ATOM 1477 CG ASP A 91 0.965 2.153 7.626 1.00 0.86 C ATOM 1478 OD1 ASP A 91 0.422 1.062 7.669 1.00 0.61 O ATOM 1479 OD2 ASP A 91 1.544 2.666 8.570 1.00 1.95 O ATOM 0 H ASP A 91 -0.011 4.825 4.968 1.00 0.41 H new ATOM 0 HA ASP A 91 -0.642 2.002 5.149 1.00 0.41 H new ATOM 0 HB2 ASP A 91 1.610 2.485 5.589 1.00 0.48 H new ATOM 0 HB3 ASP A 91 1.240 3.956 6.466 1.00 0.48 H new ATOM 1484 N ARG A 92 -1.785 4.050 7.462 1.00 0.39 N ATOM 1485 CA ARG A 92 -2.750 4.115 8.594 1.00 0.37 C ATOM 1486 C ARG A 92 -4.176 4.181 8.045 1.00 0.33 C ATOM 1487 O ARG A 92 -5.108 3.687 8.649 1.00 0.31 O ATOM 1488 CB ARG A 92 -2.468 5.362 9.434 1.00 0.40 C ATOM 1489 CG ARG A 92 -1.089 5.239 10.086 1.00 0.40 C ATOM 1490 CD ARG A 92 -1.230 4.585 11.461 1.00 0.53 C ATOM 1491 NE ARG A 92 0.051 3.919 11.829 1.00 1.06 N ATOM 1492 CZ ARG A 92 0.267 3.556 13.063 1.00 1.41 C ATOM 1493 NH1 ARG A 92 -0.638 3.777 13.977 1.00 1.17 N ATOM 1494 NH2 ARG A 92 1.390 2.973 13.385 1.00 2.50 N ATOM 0 H ARG A 92 -1.386 4.945 7.180 1.00 0.39 H new ATOM 0 HA ARG A 92 -2.641 3.226 9.216 1.00 0.37 H new ATOM 0 HB2 ARG A 92 -2.507 6.252 8.806 1.00 0.40 H new ATOM 0 HB3 ARG A 92 -3.235 5.478 10.200 1.00 0.40 H new ATOM 0 HG2 ARG A 92 -0.429 4.644 9.455 1.00 0.40 H new ATOM 0 HG3 ARG A 92 -0.633 6.224 10.185 1.00 0.40 H new ATOM 0 HD2 ARG A 92 -1.489 5.336 12.208 1.00 0.53 H new ATOM 0 HD3 ARG A 92 -2.040 3.856 11.447 1.00 0.53 H new ATOM 0 HE ARG A 92 0.759 3.747 11.116 1.00 1.06 H new ATOM 0 HH11 ARG A 92 -1.515 4.234 13.726 1.00 1.17 H new ATOM 0 HH12 ARG A 92 -0.468 3.493 14.942 1.00 1.17 H new ATOM 0 HH21 ARG A 92 2.098 2.801 12.672 1.00 2.50 H new ATOM 0 HH22 ARG A 92 1.559 2.689 14.350 1.00 2.50 H new ATOM 1508 N ASN A 93 -4.354 4.787 6.905 1.00 0.33 N ATOM 1509 CA ASN A 93 -5.721 4.884 6.319 1.00 0.29 C ATOM 1510 C ASN A 93 -6.279 3.478 6.090 1.00 0.25 C ATOM 1511 O ASN A 93 -7.387 3.169 6.480 1.00 0.22 O ATOM 1512 CB ASN A 93 -5.652 5.629 4.983 1.00 0.31 C ATOM 1513 CG ASN A 93 -5.063 7.023 5.205 1.00 0.40 C ATOM 1514 OD1 ASN A 93 -3.865 7.209 5.122 1.00 0.56 O ATOM 1515 ND2 ASN A 93 -5.859 8.018 5.487 1.00 1.29 N ATOM 0 H ASN A 93 -3.613 5.219 6.353 1.00 0.33 H new ATOM 0 HA ASN A 93 -6.372 5.426 7.005 1.00 0.29 H new ATOM 0 HB2 ASN A 93 -5.038 5.072 4.275 1.00 0.31 H new ATOM 0 HB3 ASN A 93 -6.648 5.709 4.547 1.00 0.31 H new ATOM 0 HD21 ASN A 93 -5.475 8.951 5.638 1.00 1.29 H new ATOM 0 HD22 ASN A 93 -6.865 7.863 5.557 1.00 1.29 H new ATOM 1522 N LEU A 94 -5.519 2.623 5.462 1.00 0.25 N ATOM 1523 CA LEU A 94 -6.005 1.237 5.210 1.00 0.22 C ATOM 1524 C LEU A 94 -6.290 0.549 6.547 1.00 0.20 C ATOM 1525 O LEU A 94 -7.425 0.276 6.886 1.00 0.30 O ATOM 1526 CB LEU A 94 -4.936 0.446 4.449 1.00 0.25 C ATOM 1527 CG LEU A 94 -4.587 1.158 3.136 1.00 0.28 C ATOM 1528 CD1 LEU A 94 -3.217 0.680 2.649 1.00 0.61 C ATOM 1529 CD2 LEU A 94 -5.637 0.838 2.064 1.00 0.14 C ATOM 0 H LEU A 94 -4.582 2.825 5.112 1.00 0.25 H new ATOM 0 HA LEU A 94 -6.918 1.276 4.615 1.00 0.22 H new ATOM 0 HB2 LEU A 94 -4.042 0.343 5.064 1.00 0.25 H new ATOM 0 HB3 LEU A 94 -5.297 -0.561 4.241 1.00 0.25 H new ATOM 0 HG LEU A 94 -4.569 2.234 3.312 1.00 0.28 H new ATOM 0 HD11 LEU A 94 -2.966 1.184 1.716 1.00 0.61 H new ATOM 0 HD12 LEU A 94 -2.462 0.912 3.401 1.00 0.61 H new ATOM 0 HD13 LEU A 94 -3.245 -0.397 2.483 1.00 0.61 H new ATOM 0 HD21 LEU A 94 -5.378 1.349 1.137 1.00 0.14 H new ATOM 0 HD22 LEU A 94 -5.663 -0.238 1.890 1.00 0.14 H new ATOM 0 HD23 LEU A 94 -6.617 1.175 2.402 1.00 0.14 H new ATOM 1541 N TRP A 95 -5.269 0.264 7.307 1.00 0.10 N ATOM 1542 CA TRP A 95 -5.482 -0.407 8.621 1.00 0.10 C ATOM 1543 C TRP A 95 -6.492 0.394 9.445 1.00 0.14 C ATOM 1544 O TRP A 95 -6.948 -0.044 10.482 1.00 0.18 O ATOM 1545 CB TRP A 95 -4.153 -0.483 9.376 1.00 0.10 C ATOM 1546 CG TRP A 95 -4.391 -1.030 10.747 1.00 0.11 C ATOM 1547 CD1 TRP A 95 -4.657 -0.285 11.845 1.00 0.15 C ATOM 1548 CD2 TRP A 95 -4.390 -2.419 11.186 1.00 0.09 C ATOM 1549 NE1 TRP A 95 -4.819 -1.129 12.929 1.00 0.16 N ATOM 1550 CE2 TRP A 95 -4.663 -2.454 12.574 1.00 0.12 C ATOM 1551 CE3 TRP A 95 -4.180 -3.641 10.522 1.00 0.06 C ATOM 1552 CZ2 TRP A 95 -4.726 -3.657 13.277 1.00 0.11 C ATOM 1553 CZ3 TRP A 95 -4.242 -4.855 11.227 1.00 0.05 C ATOM 1554 CH2 TRP A 95 -4.516 -4.862 12.602 1.00 0.08 C ATOM 0 H TRP A 95 -4.296 0.466 7.075 1.00 0.10 H new ATOM 0 HA TRP A 95 -5.865 -1.414 8.457 1.00 0.10 H new ATOM 0 HB2 TRP A 95 -3.451 -1.118 8.836 1.00 0.10 H new ATOM 0 HB3 TRP A 95 -3.702 0.507 9.441 1.00 0.10 H new ATOM 0 HD1 TRP A 95 -4.731 0.792 11.871 1.00 0.15 H new ATOM 0 HE1 TRP A 95 -5.028 -0.811 13.875 1.00 0.16 H new ATOM 0 HE3 TRP A 95 -3.970 -3.646 9.463 1.00 0.06 H new ATOM 0 HZ2 TRP A 95 -4.936 -3.657 14.336 1.00 0.11 H new ATOM 0 HZ3 TRP A 95 -4.078 -5.787 10.707 1.00 0.05 H new ATOM 0 HH2 TRP A 95 -4.565 -5.798 13.139 1.00 0.08 H new ATOM 1565 N GLY A 96 -6.847 1.564 8.992 1.00 0.13 N ATOM 1566 CA GLY A 96 -7.828 2.391 9.750 1.00 0.18 C ATOM 1567 C GLY A 96 -9.234 1.819 9.558 1.00 0.24 C ATOM 1568 O GLY A 96 -9.821 1.272 10.470 1.00 0.31 O ATOM 0 H GLY A 96 -6.500 1.984 8.129 1.00 0.13 H new ATOM 0 HA2 GLY A 96 -7.570 2.401 10.809 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -7.794 3.424 9.403 1.00 0.18 H new ATOM 1572 N LEU A 97 -9.777 1.942 8.378 1.00 0.25 N ATOM 1573 CA LEU A 97 -11.146 1.405 8.130 1.00 0.32 C ATOM 1574 C LEU A 97 -11.161 -0.102 8.393 1.00 0.32 C ATOM 1575 O LEU A 97 -12.182 -0.751 8.277 1.00 0.34 O ATOM 1576 CB LEU A 97 -11.562 1.686 6.678 1.00 0.35 C ATOM 1577 CG LEU A 97 -10.451 1.260 5.702 1.00 0.30 C ATOM 1578 CD1 LEU A 97 -10.322 -0.268 5.652 1.00 0.29 C ATOM 1579 CD2 LEU A 97 -10.790 1.779 4.302 1.00 0.36 C ATOM 0 H LEU A 97 -9.334 2.390 7.576 1.00 0.25 H new ATOM 0 HA LEU A 97 -11.851 1.894 8.802 1.00 0.32 H new ATOM 0 HB2 LEU A 97 -12.482 1.148 6.447 1.00 0.35 H new ATOM 0 HB3 LEU A 97 -11.774 2.748 6.554 1.00 0.35 H new ATOM 0 HG LEU A 97 -9.505 1.678 6.046 1.00 0.30 H new ATOM 0 HD11 LEU A 97 -9.530 -0.544 4.955 1.00 0.29 H new ATOM 0 HD12 LEU A 97 -10.079 -0.645 6.645 1.00 0.29 H new ATOM 0 HD13 LEU A 97 -11.265 -0.702 5.320 1.00 0.29 H new ATOM 0 HD21 LEU A 97 -10.007 1.481 3.604 1.00 0.36 H new ATOM 0 HD22 LEU A 97 -11.743 1.359 3.979 1.00 0.36 H new ATOM 0 HD23 LEU A 97 -10.862 2.866 4.325 1.00 0.36 H new ATOM 1591 N ALA A 98 -10.038 -0.664 8.745 1.00 0.30 N ATOM 1592 CA ALA A 98 -9.990 -2.129 9.014 1.00 0.30 C ATOM 1593 C ALA A 98 -10.542 -2.409 10.413 1.00 0.28 C ATOM 1594 O ALA A 98 -11.621 -2.947 10.569 1.00 0.25 O ATOM 1595 CB ALA A 98 -8.542 -2.616 8.931 1.00 0.35 C ATOM 0 H ALA A 98 -9.151 -0.172 8.858 1.00 0.30 H new ATOM 0 HA ALA A 98 -10.593 -2.654 8.273 1.00 0.30 H new ATOM 0 HB1 ALA A 98 -8.507 -3.688 9.128 1.00 0.35 H new ATOM 0 HB2 ALA A 98 -8.148 -2.417 7.935 1.00 0.35 H new ATOM 0 HB3 ALA A 98 -7.939 -2.091 9.672 1.00 0.35 H new ATOM 1601 N GLY A 99 -9.812 -2.050 11.433 1.00 0.32 N ATOM 1602 CA GLY A 99 -10.295 -2.296 12.821 1.00 0.31 C ATOM 1603 C GLY A 99 -10.073 -3.764 13.186 1.00 0.32 C ATOM 1604 O GLY A 99 -10.727 -4.303 14.057 1.00 0.53 O ATOM 0 H GLY A 99 -8.901 -1.596 11.365 1.00 0.32 H new ATOM 0 HA2 GLY A 99 -9.764 -1.652 13.522 1.00 0.31 H new ATOM 0 HA3 GLY A 99 -11.353 -2.047 12.899 1.00 0.31 H new ATOM 1608 N LEU A 100 -9.157 -4.417 12.526 1.00 0.14 N ATOM 1609 CA LEU A 100 -8.893 -5.851 12.835 1.00 0.17 C ATOM 1610 C LEU A 100 -7.808 -5.950 13.909 1.00 0.17 C ATOM 1611 O LEU A 100 -6.797 -5.279 13.847 1.00 0.27 O ATOM 1612 CB LEU A 100 -8.424 -6.569 11.568 1.00 0.21 C ATOM 1613 CG LEU A 100 -9.333 -7.768 11.294 1.00 0.70 C ATOM 1614 CD1 LEU A 100 -8.905 -8.446 9.992 1.00 1.00 C ATOM 1615 CD2 LEU A 100 -9.221 -8.767 12.448 1.00 1.03 C ATOM 0 H LEU A 100 -8.579 -4.019 11.785 1.00 0.14 H new ATOM 0 HA LEU A 100 -9.808 -6.318 13.199 1.00 0.17 H new ATOM 0 HB2 LEU A 100 -8.443 -5.884 10.721 1.00 0.21 H new ATOM 0 HB3 LEU A 100 -7.392 -6.901 11.686 1.00 0.21 H new ATOM 0 HG LEU A 100 -10.365 -7.428 11.205 1.00 0.70 H new ATOM 0 HD11 LEU A 100 -9.553 -9.301 9.797 1.00 1.00 H new ATOM 0 HD12 LEU A 100 -8.983 -7.736 9.169 1.00 1.00 H new ATOM 0 HD13 LEU A 100 -7.873 -8.786 10.081 1.00 1.00 H new ATOM 0 HD21 LEU A 100 -9.869 -9.622 12.253 1.00 1.03 H new ATOM 0 HD22 LEU A 100 -8.189 -9.106 12.537 1.00 1.03 H new ATOM 0 HD23 LEU A 100 -9.526 -8.285 13.377 1.00 1.03 H new ATOM 1627 N ASN A 101 -8.008 -6.782 14.893 1.00 0.26 N ATOM 1628 CA ASN A 101 -6.988 -6.924 15.970 1.00 0.24 C ATOM 1629 C ASN A 101 -5.990 -8.017 15.584 1.00 0.25 C ATOM 1630 O ASN A 101 -4.894 -7.741 15.136 1.00 0.20 O ATOM 1631 CB ASN A 101 -7.678 -7.302 17.282 1.00 0.26 C ATOM 1632 CG ASN A 101 -6.632 -7.427 18.392 1.00 1.61 C ATOM 1633 OD1 ASN A 101 -6.918 -7.932 19.458 1.00 2.09 O ATOM 1634 ND2 ASN A 101 -5.422 -6.983 18.183 1.00 2.57 N ATOM 0 H ASN A 101 -8.834 -7.370 14.998 1.00 0.26 H new ATOM 0 HA ASN A 101 -6.461 -5.979 16.098 1.00 0.24 H new ATOM 0 HB2 ASN A 101 -8.417 -6.546 17.548 1.00 0.26 H new ATOM 0 HB3 ASN A 101 -8.214 -8.244 17.165 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -4.717 -7.060 18.916 1.00 2.57 H new ATOM 0 HD22 ASN A 101 -5.182 -6.559 17.287 1.00 2.57 H new ATOM 1641 N SER A 102 -6.359 -9.257 15.754 1.00 0.38 N ATOM 1642 CA SER A 102 -5.430 -10.367 15.397 1.00 0.40 C ATOM 1643 C SER A 102 -5.479 -10.604 13.887 1.00 0.38 C ATOM 1644 O SER A 102 -6.534 -10.781 13.309 1.00 0.46 O ATOM 1645 CB SER A 102 -5.854 -11.640 16.127 1.00 0.50 C ATOM 1646 OG SER A 102 -6.891 -12.280 15.395 1.00 1.03 O ATOM 0 H SER A 102 -7.263 -9.550 16.124 1.00 0.38 H new ATOM 0 HA SER A 102 -4.415 -10.102 15.691 1.00 0.40 H new ATOM 0 HB2 SER A 102 -5.002 -12.311 16.235 1.00 0.50 H new ATOM 0 HB3 SER A 102 -6.199 -11.398 17.132 1.00 0.50 H new ATOM 0 HG SER A 102 -7.208 -11.682 14.686 1.00 1.03 H new ATOM 1652 N CYS A 103 -4.345 -10.609 13.240 1.00 0.30 N ATOM 1653 CA CYS A 103 -4.329 -10.834 11.767 1.00 0.27 C ATOM 1654 C CYS A 103 -2.902 -11.165 11.309 1.00 0.27 C ATOM 1655 O CYS A 103 -2.286 -10.378 10.618 1.00 0.20 O ATOM 1656 CB CYS A 103 -4.803 -9.563 11.061 1.00 0.22 C ATOM 1657 SG CYS A 103 -4.542 -9.729 9.278 1.00 0.35 S ATOM 0 H CYS A 103 -3.430 -10.467 13.668 1.00 0.30 H new ATOM 0 HA CYS A 103 -4.989 -11.665 11.519 1.00 0.27 H new ATOM 0 HB2 CYS A 103 -5.859 -9.390 11.270 1.00 0.22 H new ATOM 0 HB3 CYS A 103 -4.258 -8.699 11.440 1.00 0.22 H new ATOM 1662 N PRO A 104 -2.412 -12.316 11.708 1.00 0.46 N ATOM 1663 CA PRO A 104 -1.051 -12.748 11.338 1.00 0.59 C ATOM 1664 C PRO A 104 -0.944 -12.921 9.821 1.00 0.53 C ATOM 1665 O PRO A 104 -1.896 -13.286 9.160 1.00 0.45 O ATOM 1666 CB PRO A 104 -0.857 -14.094 12.049 1.00 0.81 C ATOM 1667 CG PRO A 104 -2.163 -14.411 12.822 1.00 0.82 C ATOM 1668 CD PRO A 104 -3.158 -13.272 12.549 1.00 0.62 C ATOM 0 HA PRO A 104 -0.293 -12.020 11.627 1.00 0.59 H new ATOM 0 HB2 PRO A 104 -0.640 -14.881 11.326 1.00 0.81 H new ATOM 0 HB3 PRO A 104 -0.010 -14.047 12.733 1.00 0.81 H new ATOM 0 HG2 PRO A 104 -2.577 -15.366 12.498 1.00 0.82 H new ATOM 0 HG3 PRO A 104 -1.964 -14.496 13.890 1.00 0.82 H new ATOM 0 HD2 PRO A 104 -4.048 -13.638 12.038 1.00 0.62 H new ATOM 0 HD3 PRO A 104 -3.492 -12.807 13.477 1.00 0.62 H new ATOM 1676 N VAL A 105 0.208 -12.659 9.265 1.00 0.65 N ATOM 1677 CA VAL A 105 0.380 -12.808 7.793 1.00 0.62 C ATOM 1678 C VAL A 105 0.960 -14.189 7.483 1.00 0.85 C ATOM 1679 O VAL A 105 1.815 -14.687 8.190 1.00 1.28 O ATOM 1680 CB VAL A 105 1.334 -11.728 7.279 1.00 0.77 C ATOM 1681 CG1 VAL A 105 2.735 -11.974 7.843 1.00 1.09 C ATOM 1682 CG2 VAL A 105 1.384 -11.778 5.751 1.00 0.75 C ATOM 0 H VAL A 105 1.039 -12.348 9.769 1.00 0.65 H new ATOM 0 HA VAL A 105 -0.588 -12.702 7.303 1.00 0.62 H new ATOM 0 HB VAL A 105 0.980 -10.748 7.600 1.00 0.77 H new ATOM 0 HG11 VAL A 105 3.415 -11.205 7.477 1.00 1.09 H new ATOM 0 HG12 VAL A 105 2.700 -11.939 8.932 1.00 1.09 H new ATOM 0 HG13 VAL A 105 3.089 -12.954 7.523 1.00 1.09 H new ATOM 0 HG21 VAL A 105 2.063 -11.009 5.384 1.00 0.75 H new ATOM 0 HG22 VAL A 105 1.738 -12.758 5.430 1.00 0.75 H new ATOM 0 HG23 VAL A 105 0.386 -11.603 5.348 1.00 0.75 H new ATOM 1692 N LYS A 106 0.503 -14.814 6.432 1.00 0.60 N ATOM 1693 CA LYS A 106 1.030 -16.163 6.080 1.00 0.85 C ATOM 1694 C LYS A 106 2.193 -16.016 5.098 1.00 0.96 C ATOM 1695 O LYS A 106 3.112 -15.252 5.319 1.00 1.16 O ATOM 1696 CB LYS A 106 -0.082 -16.991 5.433 1.00 0.84 C ATOM 1697 CG LYS A 106 0.301 -18.472 5.460 1.00 1.42 C ATOM 1698 CD LYS A 106 -0.329 -19.186 4.264 1.00 1.65 C ATOM 1699 CE LYS A 106 0.029 -20.672 4.308 1.00 2.27 C ATOM 1700 NZ LYS A 106 -0.286 -21.219 5.658 1.00 2.37 N ATOM 0 H LYS A 106 -0.212 -14.449 5.803 1.00 0.60 H new ATOM 0 HA LYS A 106 1.379 -16.664 6.983 1.00 0.85 H new ATOM 0 HB2 LYS A 106 -1.021 -16.838 5.966 1.00 0.84 H new ATOM 0 HB3 LYS A 106 -0.242 -16.665 4.405 1.00 0.84 H new ATOM 0 HG2 LYS A 106 1.385 -18.578 5.430 1.00 1.42 H new ATOM 0 HG3 LYS A 106 -0.038 -18.929 6.389 1.00 1.42 H new ATOM 0 HD2 LYS A 106 -1.412 -19.062 4.282 1.00 1.65 H new ATOM 0 HD3 LYS A 106 0.027 -18.743 3.334 1.00 1.65 H new ATOM 0 HE2 LYS A 106 -0.529 -21.214 3.545 1.00 2.27 H new ATOM 0 HE3 LYS A 106 1.087 -20.809 4.086 1.00 2.27 H new ATOM 0 HZ1 LYS A 106 -0.354 -22.255 5.605 1.00 2.37 H new ATOM 0 HZ2 LYS A 106 0.468 -20.955 6.324 1.00 2.37 H new ATOM 0 HZ3 LYS A 106 -1.192 -20.829 5.988 1.00 2.37 H new ATOM 1714 N GLU A 107 2.164 -16.743 4.015 1.00 0.95 N ATOM 1715 CA GLU A 107 3.270 -16.645 3.021 1.00 1.05 C ATOM 1716 C GLU A 107 2.712 -16.877 1.614 1.00 0.66 C ATOM 1717 O GLU A 107 1.730 -17.568 1.431 1.00 1.18 O ATOM 1718 CB GLU A 107 4.329 -17.704 3.331 1.00 1.78 C ATOM 1719 CG GLU A 107 5.233 -17.207 4.461 1.00 2.47 C ATOM 1720 CD GLU A 107 6.311 -18.254 4.750 1.00 2.69 C ATOM 1721 OE1 GLU A 107 6.188 -19.357 4.244 1.00 1.77 O ATOM 1722 OE2 GLU A 107 7.241 -17.933 5.471 1.00 3.88 O ATOM 0 H GLU A 107 1.422 -17.401 3.775 1.00 0.95 H new ATOM 0 HA GLU A 107 3.721 -15.654 3.075 1.00 1.05 H new ATOM 0 HB2 GLU A 107 3.849 -18.639 3.619 1.00 1.78 H new ATOM 0 HB3 GLU A 107 4.923 -17.911 2.441 1.00 1.78 H new ATOM 0 HG2 GLU A 107 5.696 -16.261 4.181 1.00 2.47 H new ATOM 0 HG3 GLU A 107 4.643 -17.020 5.358 1.00 2.47 H new ATOM 1729 N ALA A 108 3.332 -16.304 0.619 1.00 0.61 N ATOM 1730 CA ALA A 108 2.837 -16.492 -0.775 1.00 0.39 C ATOM 1731 C ALA A 108 4.006 -16.357 -1.753 1.00 0.34 C ATOM 1732 O ALA A 108 5.118 -16.750 -1.465 1.00 0.46 O ATOM 1733 CB ALA A 108 1.782 -15.429 -1.089 1.00 0.79 C ATOM 0 H ALA A 108 4.159 -15.714 0.710 1.00 0.61 H new ATOM 0 HA ALA A 108 2.394 -17.483 -0.874 1.00 0.39 H new ATOM 0 HB1 ALA A 108 1.420 -15.566 -2.108 1.00 0.79 H new ATOM 0 HB2 ALA A 108 0.950 -15.525 -0.392 1.00 0.79 H new ATOM 0 HB3 ALA A 108 2.224 -14.438 -0.991 1.00 0.79 H new ATOM 1739 N ASP A 109 3.761 -15.804 -2.910 1.00 0.26 N ATOM 1740 CA ASP A 109 4.857 -15.644 -3.906 1.00 0.37 C ATOM 1741 C ASP A 109 5.526 -14.281 -3.715 1.00 0.36 C ATOM 1742 O ASP A 109 5.828 -13.877 -2.610 1.00 0.42 O ATOM 1743 CB ASP A 109 4.279 -15.734 -5.320 1.00 0.40 C ATOM 1744 CG ASP A 109 3.476 -17.028 -5.462 1.00 0.43 C ATOM 1745 OD1 ASP A 109 2.421 -17.118 -4.855 1.00 1.32 O ATOM 1746 OD2 ASP A 109 3.929 -17.908 -6.176 1.00 1.37 O ATOM 0 H ASP A 109 2.849 -15.456 -3.208 1.00 0.26 H new ATOM 0 HA ASP A 109 5.594 -16.434 -3.764 1.00 0.37 H new ATOM 0 HB2 ASP A 109 3.640 -14.873 -5.519 1.00 0.40 H new ATOM 0 HB3 ASP A 109 5.083 -15.710 -6.055 1.00 0.40 H new ATOM 1751 N GLN A 110 5.761 -13.570 -4.783 1.00 0.37 N ATOM 1752 CA GLN A 110 6.410 -12.234 -4.662 1.00 0.37 C ATOM 1753 C GLN A 110 5.883 -11.309 -5.761 1.00 0.36 C ATOM 1754 O GLN A 110 5.263 -11.748 -6.709 1.00 0.34 O ATOM 1755 CB GLN A 110 7.925 -12.388 -4.808 1.00 0.45 C ATOM 1756 CG GLN A 110 8.286 -12.500 -6.291 1.00 2.00 C ATOM 1757 CD GLN A 110 9.647 -13.183 -6.436 1.00 2.28 C ATOM 1758 OE1 GLN A 110 9.981 -13.679 -7.493 1.00 3.40 O ATOM 1759 NE2 GLN A 110 10.451 -13.232 -5.410 1.00 1.39 N ATOM 0 H GLN A 110 5.532 -13.856 -5.735 1.00 0.37 H new ATOM 0 HA GLN A 110 6.181 -11.806 -3.686 1.00 0.37 H new ATOM 0 HB2 GLN A 110 8.433 -11.532 -4.363 1.00 0.45 H new ATOM 0 HB3 GLN A 110 8.264 -13.274 -4.272 1.00 0.45 H new ATOM 0 HG2 GLN A 110 7.523 -13.071 -6.820 1.00 2.00 H new ATOM 0 HG3 GLN A 110 8.314 -11.509 -6.745 1.00 2.00 H new ATOM 0 HE21 GLN A 110 10.171 -12.815 -4.522 1.00 1.39 H new ATOM 0 HE22 GLN A 110 11.360 -13.687 -5.496 1.00 1.39 H new ATOM 1768 N SER A 111 6.123 -10.032 -5.640 1.00 0.37 N ATOM 1769 CA SER A 111 5.635 -9.081 -6.678 1.00 0.37 C ATOM 1770 C SER A 111 6.450 -7.788 -6.608 1.00 0.38 C ATOM 1771 O SER A 111 6.965 -7.423 -5.571 1.00 0.40 O ATOM 1772 CB SER A 111 4.160 -8.768 -6.428 1.00 0.34 C ATOM 1773 OG SER A 111 3.974 -8.444 -5.057 1.00 0.40 O ATOM 0 H SER A 111 6.636 -9.606 -4.868 1.00 0.37 H new ATOM 0 HA SER A 111 5.749 -9.529 -7.665 1.00 0.37 H new ATOM 0 HB2 SER A 111 3.841 -7.936 -7.056 1.00 0.34 H new ATOM 0 HB3 SER A 111 3.544 -9.626 -6.698 1.00 0.34 H new ATOM 0 HG SER A 111 4.816 -8.574 -4.573 1.00 0.40 H new ATOM 1779 N THR A 112 6.571 -7.093 -7.705 1.00 0.38 N ATOM 1780 CA THR A 112 7.352 -5.824 -7.702 1.00 0.39 C ATOM 1781 C THR A 112 6.462 -4.678 -7.216 1.00 0.40 C ATOM 1782 O THR A 112 5.316 -4.563 -7.606 1.00 0.48 O ATOM 1783 CB THR A 112 7.845 -5.523 -9.119 1.00 0.39 C ATOM 1784 OG1 THR A 112 6.832 -5.867 -10.054 1.00 0.27 O ATOM 1785 CG2 THR A 112 9.106 -6.338 -9.407 1.00 0.57 C ATOM 0 H THR A 112 6.163 -7.349 -8.604 1.00 0.38 H new ATOM 0 HA THR A 112 8.208 -5.927 -7.035 1.00 0.39 H new ATOM 0 HB THR A 112 8.075 -4.461 -9.206 1.00 0.39 H new ATOM 0 HG1 THR A 112 7.012 -5.423 -10.909 1.00 0.27 H new ATOM 0 HG21 THR A 112 9.456 -6.122 -10.417 1.00 0.57 H new ATOM 0 HG22 THR A 112 9.882 -6.073 -8.690 1.00 0.57 H new ATOM 0 HG23 THR A 112 8.880 -7.401 -9.320 1.00 0.57 H new ATOM 1793 N LEU A 113 6.977 -3.830 -6.369 1.00 0.34 N ATOM 1794 CA LEU A 113 6.159 -2.694 -5.860 1.00 0.35 C ATOM 1795 C LEU A 113 5.460 -2.006 -7.035 1.00 0.36 C ATOM 1796 O LEU A 113 4.395 -1.441 -6.891 1.00 0.40 O ATOM 1797 CB LEU A 113 7.073 -1.690 -5.146 1.00 0.35 C ATOM 1798 CG LEU A 113 6.236 -0.562 -4.528 1.00 0.43 C ATOM 1799 CD1 LEU A 113 5.302 -1.126 -3.453 1.00 0.63 C ATOM 1800 CD2 LEU A 113 7.172 0.468 -3.891 1.00 0.37 C ATOM 0 H LEU A 113 7.930 -3.875 -6.007 1.00 0.34 H new ATOM 0 HA LEU A 113 5.411 -3.065 -5.160 1.00 0.35 H new ATOM 0 HB2 LEU A 113 7.645 -2.196 -4.369 1.00 0.35 H new ATOM 0 HB3 LEU A 113 7.792 -1.275 -5.852 1.00 0.35 H new ATOM 0 HG LEU A 113 5.638 -0.092 -5.309 1.00 0.43 H new ATOM 0 HD11 LEU A 113 4.713 -0.317 -3.022 1.00 0.63 H new ATOM 0 HD12 LEU A 113 4.634 -1.862 -3.901 1.00 0.63 H new ATOM 0 HD13 LEU A 113 5.893 -1.602 -2.670 1.00 0.63 H new ATOM 0 HD21 LEU A 113 6.582 1.272 -3.450 1.00 0.37 H new ATOM 0 HD22 LEU A 113 7.768 -0.013 -3.115 1.00 0.37 H new ATOM 0 HD23 LEU A 113 7.833 0.879 -4.654 1.00 0.37 H new ATOM 1812 N GLU A 114 6.051 -2.051 -8.199 1.00 0.33 N ATOM 1813 CA GLU A 114 5.418 -1.400 -9.381 1.00 0.36 C ATOM 1814 C GLU A 114 4.140 -2.152 -9.753 1.00 0.42 C ATOM 1815 O GLU A 114 3.043 -1.708 -9.473 1.00 0.43 O ATOM 1816 CB GLU A 114 6.391 -1.431 -10.561 1.00 0.32 C ATOM 1817 CG GLU A 114 5.838 -0.573 -11.701 1.00 0.38 C ATOM 1818 CD GLU A 114 6.710 0.673 -11.870 1.00 1.34 C ATOM 1819 OE1 GLU A 114 6.775 1.458 -10.938 1.00 2.48 O ATOM 1820 OE2 GLU A 114 7.297 0.822 -12.929 1.00 1.37 O ATOM 0 H GLU A 114 6.943 -2.510 -8.382 1.00 0.33 H new ATOM 0 HA GLU A 114 5.173 -0.366 -9.139 1.00 0.36 H new ATOM 0 HB2 GLU A 114 7.367 -1.058 -10.251 1.00 0.32 H new ATOM 0 HB3 GLU A 114 6.535 -2.457 -10.900 1.00 0.32 H new ATOM 0 HG2 GLU A 114 5.821 -1.147 -12.628 1.00 0.38 H new ATOM 0 HG3 GLU A 114 4.809 -0.284 -11.487 1.00 0.38 H new ATOM 1827 N ASN A 115 4.269 -3.289 -10.381 1.00 0.44 N ATOM 1828 CA ASN A 115 3.060 -4.066 -10.769 1.00 0.50 C ATOM 1829 C ASN A 115 2.147 -4.231 -9.553 1.00 0.47 C ATOM 1830 O ASN A 115 0.954 -4.015 -9.625 1.00 0.54 O ATOM 1831 CB ASN A 115 3.482 -5.446 -11.280 1.00 0.55 C ATOM 1832 CG ASN A 115 4.196 -5.297 -12.625 1.00 0.61 C ATOM 1833 OD1 ASN A 115 5.203 -5.933 -12.865 1.00 0.82 O ATOM 1834 ND2 ASN A 115 3.712 -4.478 -13.518 1.00 1.61 N ATOM 0 H ASN A 115 5.160 -3.712 -10.642 1.00 0.44 H new ATOM 0 HA ASN A 115 2.525 -3.535 -11.556 1.00 0.50 H new ATOM 0 HB2 ASN A 115 4.142 -5.927 -10.558 1.00 0.55 H new ATOM 0 HB3 ASN A 115 2.608 -6.088 -11.390 1.00 0.55 H new ATOM 0 HD21 ASN A 115 4.179 -4.371 -14.418 1.00 1.61 H new ATOM 0 HD22 ASN A 115 2.867 -3.944 -13.316 1.00 1.61 H new ATOM 1841 N PHE A 116 2.700 -4.610 -8.433 1.00 0.40 N ATOM 1842 CA PHE A 116 1.864 -4.787 -7.212 1.00 0.38 C ATOM 1843 C PHE A 116 0.961 -3.566 -7.032 1.00 0.34 C ATOM 1844 O PHE A 116 -0.241 -3.685 -6.897 1.00 0.44 O ATOM 1845 CB PHE A 116 2.773 -4.934 -5.990 1.00 0.37 C ATOM 1846 CG PHE A 116 1.934 -4.927 -4.734 1.00 0.37 C ATOM 1847 CD1 PHE A 116 1.602 -3.713 -4.120 1.00 0.33 C ATOM 1848 CD2 PHE A 116 1.489 -6.135 -4.183 1.00 0.42 C ATOM 1849 CE1 PHE A 116 0.825 -3.708 -2.955 1.00 0.33 C ATOM 1850 CE2 PHE A 116 0.712 -6.129 -3.018 1.00 0.42 C ATOM 1851 CZ PHE A 116 0.381 -4.915 -2.404 1.00 0.37 C ATOM 0 H PHE A 116 3.694 -4.805 -8.311 1.00 0.40 H new ATOM 0 HA PHE A 116 1.249 -5.681 -7.318 1.00 0.38 H new ATOM 0 HB2 PHE A 116 3.341 -5.862 -6.056 1.00 0.37 H new ATOM 0 HB3 PHE A 116 3.496 -4.119 -5.961 1.00 0.37 H new ATOM 0 HD1 PHE A 116 1.945 -2.781 -4.545 1.00 0.33 H new ATOM 0 HD2 PHE A 116 1.745 -7.071 -4.657 1.00 0.42 H new ATOM 0 HE1 PHE A 116 0.568 -2.772 -2.482 1.00 0.33 H new ATOM 0 HE2 PHE A 116 0.368 -7.061 -2.593 1.00 0.42 H new ATOM 0 HZ PHE A 116 -0.217 -4.910 -1.505 1.00 0.37 H new ATOM 1861 N LEU A 117 1.529 -2.391 -7.030 1.00 0.21 N ATOM 1862 CA LEU A 117 0.701 -1.164 -6.859 1.00 0.18 C ATOM 1863 C LEU A 117 -0.358 -1.104 -7.962 1.00 0.17 C ATOM 1864 O LEU A 117 -1.463 -0.646 -7.751 1.00 0.18 O ATOM 1865 CB LEU A 117 1.600 0.073 -6.946 1.00 0.21 C ATOM 1866 CG LEU A 117 2.011 0.512 -5.537 1.00 0.26 C ATOM 1867 CD1 LEU A 117 3.115 1.567 -5.636 1.00 0.40 C ATOM 1868 CD2 LEU A 117 0.807 1.107 -4.798 1.00 0.19 C ATOM 0 H LEU A 117 2.530 -2.228 -7.139 1.00 0.21 H new ATOM 0 HA LEU A 117 0.210 -1.190 -5.886 1.00 0.18 H new ATOM 0 HB2 LEU A 117 2.486 -0.150 -7.541 1.00 0.21 H new ATOM 0 HB3 LEU A 117 1.073 0.883 -7.451 1.00 0.21 H new ATOM 0 HG LEU A 117 2.375 -0.355 -4.986 1.00 0.26 H new ATOM 0 HD11 LEU A 117 3.409 1.881 -4.634 1.00 0.40 H new ATOM 0 HD12 LEU A 117 3.977 1.144 -6.152 1.00 0.40 H new ATOM 0 HD13 LEU A 117 2.746 2.429 -6.193 1.00 0.40 H new ATOM 0 HD21 LEU A 117 1.110 1.416 -3.798 1.00 0.19 H new ATOM 0 HD22 LEU A 117 0.434 1.972 -5.347 1.00 0.19 H new ATOM 0 HD23 LEU A 117 0.019 0.357 -4.723 1.00 0.19 H new ATOM 1880 N GLU A 118 -0.029 -1.563 -9.138 1.00 0.36 N ATOM 1881 CA GLU A 118 -1.017 -1.532 -10.254 1.00 0.37 C ATOM 1882 C GLU A 118 -2.216 -2.413 -9.897 1.00 0.32 C ATOM 1883 O GLU A 118 -3.302 -1.929 -9.649 1.00 0.33 O ATOM 1884 CB GLU A 118 -0.360 -2.055 -11.532 1.00 0.44 C ATOM 1885 CG GLU A 118 -1.246 -1.723 -12.734 1.00 0.44 C ATOM 1886 CD GLU A 118 -0.773 -0.416 -13.371 1.00 1.21 C ATOM 1887 OE1 GLU A 118 0.412 -0.305 -13.639 1.00 1.35 O ATOM 1888 OE2 GLU A 118 -1.604 0.453 -13.581 1.00 2.50 O ATOM 0 H GLU A 118 0.881 -1.958 -9.375 1.00 0.36 H new ATOM 0 HA GLU A 118 -1.354 -0.508 -10.414 1.00 0.37 H new ATOM 0 HB2 GLU A 118 0.625 -1.605 -11.658 1.00 0.44 H new ATOM 0 HB3 GLU A 118 -0.212 -3.133 -11.463 1.00 0.44 H new ATOM 0 HG2 GLU A 118 -1.205 -2.531 -13.464 1.00 0.44 H new ATOM 0 HG3 GLU A 118 -2.285 -1.631 -12.419 1.00 0.44 H new ATOM 1895 N ARG A 119 -2.027 -3.705 -9.871 1.00 0.35 N ATOM 1896 CA ARG A 119 -3.157 -4.615 -9.532 1.00 0.30 C ATOM 1897 C ARG A 119 -3.860 -4.107 -8.271 1.00 0.24 C ATOM 1898 O ARG A 119 -5.048 -4.292 -8.094 1.00 0.11 O ATOM 1899 CB ARG A 119 -2.619 -6.025 -9.282 1.00 0.34 C ATOM 1900 CG ARG A 119 -1.499 -5.970 -8.241 1.00 0.51 C ATOM 1901 CD ARG A 119 -0.884 -7.360 -8.076 1.00 0.34 C ATOM 1902 NE ARG A 119 0.029 -7.638 -9.220 1.00 1.80 N ATOM 1903 CZ ARG A 119 0.882 -8.623 -9.149 1.00 1.96 C ATOM 1904 NH1 ARG A 119 0.936 -9.364 -8.076 1.00 0.87 N ATOM 1905 NH2 ARG A 119 1.682 -8.866 -10.151 1.00 3.35 N ATOM 0 H ARG A 119 -1.140 -4.168 -10.070 1.00 0.35 H new ATOM 0 HA ARG A 119 -3.866 -4.638 -10.360 1.00 0.30 H new ATOM 0 HB2 ARG A 119 -3.422 -6.675 -8.933 1.00 0.34 H new ATOM 0 HB3 ARG A 119 -2.244 -6.452 -10.212 1.00 0.34 H new ATOM 0 HG2 ARG A 119 -0.735 -5.258 -8.552 1.00 0.51 H new ATOM 0 HG3 ARG A 119 -1.892 -5.620 -7.287 1.00 0.51 H new ATOM 0 HD2 ARG A 119 -0.335 -7.417 -7.136 1.00 0.34 H new ATOM 0 HD3 ARG A 119 -1.670 -8.114 -8.032 1.00 0.34 H new ATOM 0 HE ARG A 119 -0.013 -7.059 -10.058 1.00 1.80 H new ATOM 0 HH11 ARG A 119 0.311 -9.173 -7.293 1.00 0.87 H new ATOM 0 HH12 ARG A 119 1.603 -10.134 -8.021 1.00 0.87 H new ATOM 0 HH21 ARG A 119 1.640 -8.286 -10.989 1.00 3.35 H new ATOM 0 HH22 ARG A 119 2.349 -9.636 -10.096 1.00 3.35 H new ATOM 1919 N LEU A 120 -3.137 -3.466 -7.394 1.00 0.34 N ATOM 1920 CA LEU A 120 -3.765 -2.946 -6.146 1.00 0.30 C ATOM 1921 C LEU A 120 -4.730 -1.814 -6.505 1.00 0.22 C ATOM 1922 O LEU A 120 -5.912 -1.882 -6.228 1.00 0.14 O ATOM 1923 CB LEU A 120 -2.674 -2.416 -5.210 1.00 0.38 C ATOM 1924 CG LEU A 120 -3.201 -2.360 -3.771 1.00 0.37 C ATOM 1925 CD1 LEU A 120 -2.069 -1.932 -2.834 1.00 0.46 C ATOM 1926 CD2 LEU A 120 -4.348 -1.349 -3.671 1.00 0.27 C ATOM 0 H LEU A 120 -2.139 -3.280 -7.488 1.00 0.34 H new ATOM 0 HA LEU A 120 -4.311 -3.746 -5.646 1.00 0.30 H new ATOM 0 HB2 LEU A 120 -1.796 -3.060 -5.260 1.00 0.38 H new ATOM 0 HB3 LEU A 120 -2.359 -1.423 -5.530 1.00 0.38 H new ATOM 0 HG LEU A 120 -3.567 -3.346 -3.486 1.00 0.37 H new ATOM 0 HD11 LEU A 120 -2.440 -1.891 -1.810 1.00 0.46 H new ATOM 0 HD12 LEU A 120 -1.253 -2.652 -2.896 1.00 0.46 H new ATOM 0 HD13 LEU A 120 -1.706 -0.947 -3.128 1.00 0.46 H new ATOM 0 HD21 LEU A 120 -4.716 -1.316 -2.645 1.00 0.27 H new ATOM 0 HD22 LEU A 120 -3.989 -0.361 -3.959 1.00 0.27 H new ATOM 0 HD23 LEU A 120 -5.157 -1.649 -4.337 1.00 0.27 H new ATOM 1938 N LYS A 121 -4.237 -0.774 -7.119 1.00 0.27 N ATOM 1939 CA LYS A 121 -5.128 0.360 -7.494 1.00 0.26 C ATOM 1940 C LYS A 121 -6.365 -0.181 -8.213 1.00 0.24 C ATOM 1941 O LYS A 121 -7.480 0.213 -7.933 1.00 0.26 O ATOM 1942 CB LYS A 121 -4.375 1.315 -8.423 1.00 0.38 C ATOM 1943 CG LYS A 121 -5.227 2.560 -8.676 1.00 0.44 C ATOM 1944 CD LYS A 121 -4.490 3.498 -9.634 1.00 0.45 C ATOM 1945 CE LYS A 121 -4.873 3.159 -11.076 1.00 1.03 C ATOM 1946 NZ LYS A 121 -6.335 3.382 -11.267 1.00 2.61 N ATOM 0 H LYS A 121 -3.257 -0.660 -7.377 1.00 0.27 H new ATOM 0 HA LYS A 121 -5.434 0.895 -6.595 1.00 0.26 H new ATOM 0 HB2 LYS A 121 -3.422 1.598 -7.976 1.00 0.38 H new ATOM 0 HB3 LYS A 121 -4.149 0.818 -9.367 1.00 0.38 H new ATOM 0 HG2 LYS A 121 -6.190 2.275 -9.099 1.00 0.44 H new ATOM 0 HG3 LYS A 121 -5.431 3.071 -7.735 1.00 0.44 H new ATOM 0 HD2 LYS A 121 -4.745 4.534 -9.413 1.00 0.45 H new ATOM 0 HD3 LYS A 121 -3.413 3.399 -9.500 1.00 0.45 H new ATOM 0 HE2 LYS A 121 -4.306 3.780 -11.770 1.00 1.03 H new ATOM 0 HE3 LYS A 121 -4.621 2.122 -11.297 1.00 1.03 H new ATOM 0 HZ1 LYS A 121 -6.511 3.719 -12.235 1.00 2.61 H new ATOM 0 HZ2 LYS A 121 -6.845 2.489 -11.113 1.00 2.61 H new ATOM 0 HZ3 LYS A 121 -6.669 4.094 -10.587 1.00 2.61 H new ATOM 1960 N THR A 122 -6.178 -1.083 -9.137 1.00 0.26 N ATOM 1961 CA THR A 122 -7.343 -1.650 -9.872 1.00 0.27 C ATOM 1962 C THR A 122 -8.238 -2.412 -8.893 1.00 0.18 C ATOM 1963 O THR A 122 -9.436 -2.209 -8.844 1.00 0.33 O ATOM 1964 CB THR A 122 -6.848 -2.604 -10.960 1.00 0.31 C ATOM 1965 OG1 THR A 122 -5.693 -2.055 -11.579 1.00 0.36 O ATOM 1966 CG2 THR A 122 -7.946 -2.802 -12.006 1.00 0.38 C ATOM 0 H THR A 122 -5.268 -1.452 -9.415 1.00 0.26 H new ATOM 0 HA THR A 122 -7.911 -0.841 -10.332 1.00 0.27 H new ATOM 0 HB THR A 122 -6.598 -3.567 -10.514 1.00 0.31 H new ATOM 0 HG1 THR A 122 -5.373 -2.666 -12.275 1.00 0.36 H new ATOM 0 HG21 THR A 122 -7.592 -3.482 -12.781 1.00 0.38 H new ATOM 0 HG22 THR A 122 -8.831 -3.224 -11.529 1.00 0.38 H new ATOM 0 HG23 THR A 122 -8.199 -1.841 -12.454 1.00 0.38 H new ATOM 1974 N ILE A 123 -7.668 -3.287 -8.111 1.00 0.09 N ATOM 1975 CA ILE A 123 -8.488 -4.060 -7.136 1.00 0.28 C ATOM 1976 C ILE A 123 -9.407 -3.102 -6.376 1.00 0.33 C ATOM 1977 O ILE A 123 -10.571 -3.379 -6.166 1.00 0.50 O ATOM 1978 CB ILE A 123 -7.565 -4.773 -6.147 1.00 0.37 C ATOM 1979 CG1 ILE A 123 -7.026 -6.055 -6.787 1.00 0.42 C ATOM 1980 CG2 ILE A 123 -8.348 -5.128 -4.882 1.00 0.54 C ATOM 1981 CD1 ILE A 123 -5.763 -6.503 -6.048 1.00 0.63 C ATOM 0 H ILE A 123 -6.671 -3.500 -8.105 1.00 0.09 H new ATOM 0 HA ILE A 123 -9.089 -4.798 -7.668 1.00 0.28 H new ATOM 0 HB ILE A 123 -6.734 -4.117 -5.888 1.00 0.37 H new ATOM 0 HG12 ILE A 123 -7.781 -6.840 -6.746 1.00 0.42 H new ATOM 0 HG13 ILE A 123 -6.802 -5.882 -7.840 1.00 0.42 H new ATOM 0 HG21 ILE A 123 -7.690 -5.636 -4.177 1.00 0.54 H new ATOM 0 HG22 ILE A 123 -8.734 -4.217 -4.425 1.00 0.54 H new ATOM 0 HG23 ILE A 123 -9.179 -5.784 -5.141 1.00 0.54 H new ATOM 0 HD11 ILE A 123 -5.379 -7.416 -6.504 1.00 0.63 H new ATOM 0 HD12 ILE A 123 -5.007 -5.720 -6.112 1.00 0.63 H new ATOM 0 HD13 ILE A 123 -6.002 -6.693 -5.001 1.00 0.63 H new ATOM 1993 N MET A 124 -8.894 -1.975 -5.964 1.00 0.21 N ATOM 1994 CA MET A 124 -9.739 -1.000 -5.221 1.00 0.33 C ATOM 1995 C MET A 124 -10.929 -0.592 -6.092 1.00 0.46 C ATOM 1996 O MET A 124 -12.071 -0.714 -5.696 1.00 0.56 O ATOM 1997 CB MET A 124 -8.909 0.240 -4.880 1.00 0.32 C ATOM 1998 CG MET A 124 -7.709 -0.168 -4.022 1.00 0.39 C ATOM 1999 SD MET A 124 -7.487 1.032 -2.685 1.00 1.04 S ATOM 2000 CE MET A 124 -8.116 -0.007 -1.343 1.00 0.78 C ATOM 0 H MET A 124 -7.926 -1.688 -6.110 1.00 0.21 H new ATOM 0 HA MET A 124 -10.100 -1.459 -4.301 1.00 0.33 H new ATOM 0 HB2 MET A 124 -8.567 0.725 -5.795 1.00 0.32 H new ATOM 0 HB3 MET A 124 -9.522 0.965 -4.345 1.00 0.32 H new ATOM 0 HG2 MET A 124 -7.866 -1.164 -3.609 1.00 0.39 H new ATOM 0 HG3 MET A 124 -6.809 -0.216 -4.635 1.00 0.39 H new ATOM 0 HE1 MET A 124 -8.071 0.545 -0.404 1.00 0.78 H new ATOM 0 HE2 MET A 124 -9.149 -0.284 -1.551 1.00 0.78 H new ATOM 0 HE3 MET A 124 -7.507 -0.908 -1.264 1.00 0.78 H new ATOM 2010 N ARG A 125 -10.669 -0.111 -7.276 1.00 0.48 N ATOM 2011 CA ARG A 125 -11.785 0.303 -8.173 1.00 0.61 C ATOM 2012 C ARG A 125 -12.797 -0.839 -8.284 1.00 0.68 C ATOM 2013 O ARG A 125 -13.973 -0.620 -8.500 1.00 0.81 O ATOM 2014 CB ARG A 125 -11.230 0.629 -9.562 1.00 0.67 C ATOM 2015 CG ARG A 125 -10.215 1.769 -9.452 1.00 0.81 C ATOM 2016 CD ARG A 125 -10.872 3.080 -9.889 1.00 1.04 C ATOM 2017 NE ARG A 125 -11.314 2.966 -11.307 1.00 1.49 N ATOM 2018 CZ ARG A 125 -12.153 3.834 -11.800 1.00 2.60 C ATOM 2019 NH1 ARG A 125 -12.606 4.803 -11.052 1.00 3.50 N ATOM 2020 NH2 ARG A 125 -12.540 3.735 -13.043 1.00 3.20 N ATOM 0 H ARG A 125 -9.733 0.013 -7.661 1.00 0.48 H new ATOM 0 HA ARG A 125 -12.274 1.186 -7.762 1.00 0.61 H new ATOM 0 HB2 ARG A 125 -10.756 -0.253 -9.992 1.00 0.67 H new ATOM 0 HB3 ARG A 125 -12.041 0.914 -10.232 1.00 0.67 H new ATOM 0 HG2 ARG A 125 -9.857 1.854 -8.426 1.00 0.81 H new ATOM 0 HG3 ARG A 125 -9.347 1.559 -10.077 1.00 0.81 H new ATOM 0 HD2 ARG A 125 -11.725 3.303 -9.248 1.00 1.04 H new ATOM 0 HD3 ARG A 125 -10.168 3.905 -9.782 1.00 1.04 H new ATOM 0 HE ARG A 125 -10.960 2.209 -11.892 1.00 1.49 H new ATOM 0 HH11 ARG A 125 -12.304 4.882 -10.081 1.00 3.50 H new ATOM 0 HH12 ARG A 125 -13.262 5.482 -11.438 1.00 3.50 H new ATOM 0 HH21 ARG A 125 -12.186 2.979 -13.629 1.00 3.20 H new ATOM 0 HH22 ARG A 125 -13.196 4.414 -13.428 1.00 3.20 H new ATOM 2034 N GLU A 126 -12.350 -2.056 -8.137 1.00 0.62 N ATOM 2035 CA GLU A 126 -13.286 -3.210 -8.234 1.00 0.71 C ATOM 2036 C GLU A 126 -14.185 -3.242 -6.996 1.00 0.74 C ATOM 2037 O GLU A 126 -15.395 -3.261 -7.096 1.00 0.83 O ATOM 2038 CB GLU A 126 -12.485 -4.511 -8.317 1.00 0.68 C ATOM 2039 CG GLU A 126 -13.229 -5.517 -9.197 1.00 0.78 C ATOM 2040 CD GLU A 126 -12.504 -6.863 -9.163 1.00 1.19 C ATOM 2041 OE1 GLU A 126 -12.033 -7.232 -8.100 1.00 1.99 O ATOM 2042 OE2 GLU A 126 -12.431 -7.501 -10.200 1.00 1.50 O ATOM 0 H GLU A 126 -11.377 -2.301 -7.954 1.00 0.62 H new ATOM 0 HA GLU A 126 -13.901 -3.105 -9.128 1.00 0.71 H new ATOM 0 HB2 GLU A 126 -11.495 -4.315 -8.729 1.00 0.68 H new ATOM 0 HB3 GLU A 126 -12.339 -4.924 -7.319 1.00 0.68 H new ATOM 0 HG2 GLU A 126 -14.254 -5.635 -8.845 1.00 0.78 H new ATOM 0 HG3 GLU A 126 -13.285 -5.148 -10.221 1.00 0.78 H new ATOM 2049 N LYS A 127 -13.602 -3.248 -5.829 1.00 0.68 N ATOM 2050 CA LYS A 127 -14.424 -3.279 -4.586 1.00 0.73 C ATOM 2051 C LYS A 127 -15.068 -1.908 -4.369 1.00 0.70 C ATOM 2052 O LYS A 127 -15.981 -1.759 -3.581 1.00 0.73 O ATOM 2053 CB LYS A 127 -13.528 -3.617 -3.392 1.00 0.63 C ATOM 2054 CG LYS A 127 -12.646 -4.816 -3.738 1.00 0.68 C ATOM 2055 CD LYS A 127 -12.265 -5.558 -2.455 1.00 0.80 C ATOM 2056 CE LYS A 127 -10.977 -6.351 -2.686 1.00 1.11 C ATOM 2057 NZ LYS A 127 -9.801 -5.483 -2.400 1.00 2.64 N ATOM 0 H LYS A 127 -12.593 -3.233 -5.682 1.00 0.68 H new ATOM 0 HA LYS A 127 -15.203 -4.036 -4.682 1.00 0.73 H new ATOM 0 HB2 LYS A 127 -12.908 -2.758 -3.135 1.00 0.63 H new ATOM 0 HB3 LYS A 127 -14.139 -3.842 -2.518 1.00 0.63 H new ATOM 0 HG2 LYS A 127 -13.175 -5.487 -4.415 1.00 0.68 H new ATOM 0 HG3 LYS A 127 -11.748 -4.482 -4.258 1.00 0.68 H new ATOM 0 HD2 LYS A 127 -12.126 -4.848 -1.640 1.00 0.80 H new ATOM 0 HD3 LYS A 127 -13.070 -6.230 -2.159 1.00 0.80 H new ATOM 0 HE2 LYS A 127 -10.958 -7.230 -2.042 1.00 1.11 H new ATOM 0 HE3 LYS A 127 -10.937 -6.708 -3.715 1.00 1.11 H new ATOM 0 HZ1 LYS A 127 -8.930 -5.974 -2.685 1.00 2.64 H new ATOM 0 HZ2 LYS A 127 -9.888 -4.594 -2.933 1.00 2.64 H new ATOM 0 HZ3 LYS A 127 -9.763 -5.274 -1.382 1.00 2.64 H new ATOM 2071 N TYR A 128 -14.601 -0.906 -5.062 1.00 0.67 N ATOM 2072 CA TYR A 128 -15.189 0.454 -4.896 1.00 0.69 C ATOM 2073 C TYR A 128 -16.592 0.481 -5.503 1.00 0.80 C ATOM 2074 O TYR A 128 -17.223 1.515 -5.586 1.00 0.83 O ATOM 2075 CB TYR A 128 -14.304 1.481 -5.606 1.00 0.65 C ATOM 2076 CG TYR A 128 -14.679 2.871 -5.149 1.00 0.70 C ATOM 2077 CD1 TYR A 128 -14.093 3.411 -3.998 1.00 0.59 C ATOM 2078 CD2 TYR A 128 -15.613 3.618 -5.876 1.00 0.92 C ATOM 2079 CE1 TYR A 128 -14.441 4.699 -3.576 1.00 0.65 C ATOM 2080 CE2 TYR A 128 -15.960 4.907 -5.454 1.00 0.97 C ATOM 2081 CZ TYR A 128 -15.375 5.447 -4.302 1.00 0.81 C ATOM 2082 OH TYR A 128 -15.716 6.718 -3.885 1.00 0.87 O ATOM 0 H TYR A 128 -13.838 -0.970 -5.736 1.00 0.67 H new ATOM 0 HA TYR A 128 -15.249 0.698 -3.835 1.00 0.69 H new ATOM 0 HB2 TYR A 128 -13.254 1.286 -5.387 1.00 0.65 H new ATOM 0 HB3 TYR A 128 -14.425 1.397 -6.686 1.00 0.65 H new ATOM 0 HD1 TYR A 128 -13.373 2.834 -3.436 1.00 0.59 H new ATOM 0 HD2 TYR A 128 -16.066 3.200 -6.763 1.00 0.92 H new ATOM 0 HE1 TYR A 128 -13.988 5.116 -2.689 1.00 0.65 H new ATOM 0 HE2 TYR A 128 -16.678 5.485 -6.017 1.00 0.97 H new ATOM 0 HH TYR A 128 -16.376 7.098 -4.501 1.00 0.87 H new