USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 789 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 73 THR OG1 : rot 80:sc= -0.114 USER MOD Set 1.2: A 89 LYS NZ :NH3+ 158:sc= 1.21 (180deg=0.55) USER MOD Single : A 13 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.3) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 1.01 (180deg=0.934) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.0242 X(o=0.024,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 42 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.29) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -106:sc= 0.215 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= -0.0182 (180deg=-0.122) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.11) USER MOD Single : A 66 GLN : amide:sc= 0.881 K(o=0.88,f=-5.4!) USER MOD Single : A 67 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.21) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00591 X(o=-0.0059,f=0) USER MOD Single : A 79 GLN : amide:sc= -2.01! C(o=-2!,f=-2.1!) USER MOD Single : A 85 SER OG : rot 38:sc= 0.112 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 142:sc= 1.19 (180deg=-0.0634!) USER MOD Single : A 111 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 10.017 -2.815 8.807 1.00 3.85 N ATOM 109 CA ARG A 9 10.966 -2.388 7.788 1.00 3.14 C ATOM 110 C ARG A 9 10.839 -0.891 7.561 1.00 2.98 C ATOM 111 O ARG A 9 10.990 -0.096 8.494 1.00 3.23 O ATOM 112 CB ARG A 9 10.757 -3.199 6.495 1.00 2.97 C ATOM 113 CG ARG A 9 10.921 -4.689 6.704 1.00 3.11 C ATOM 114 CD ARG A 9 11.093 -5.424 5.387 1.00 3.35 C ATOM 115 NE ARG A 9 11.642 -6.763 5.575 1.00 3.78 N ATOM 116 CZ ARG A 9 10.979 -7.773 6.130 1.00 4.27 C ATOM 117 NH1 ARG A 9 9.660 -7.706 6.253 1.00 4.46 N ATOM 118 NH2 ARG A 9 11.578 -8.947 6.273 1.00 4.95 N ATOM 0 HA ARG A 9 11.984 -2.582 8.126 1.00 3.14 H new ATOM 0 HB2 ARG A 9 9.759 -2.999 6.104 1.00 2.97 H new ATOM 0 HB3 ARG A 9 11.469 -2.862 5.741 1.00 2.97 H new ATOM 0 HG2 ARG A 9 11.786 -4.874 7.340 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.050 -5.081 7.229 1.00 3.11 H new ATOM 0 HD2 ARG A 9 10.129 -5.495 4.883 1.00 3.35 H new ATOM 0 HD3 ARG A 9 11.752 -4.850 4.735 1.00 3.35 H new ATOM 0 HE ARG A 9 12.597 -6.935 5.260 1.00 3.78 H new ATOM 0 HH11 ARG A 9 9.158 -6.882 5.922 1.00 4.46 H new ATOM 0 HH12 ARG A 9 9.148 -8.479 6.678 1.00 4.46 H new ATOM 0 HH21 ARG A 9 12.540 -9.070 5.958 1.00 4.95 H new ATOM 0 HH22 ARG A 9 11.077 -9.727 6.698 1.00 4.95 H new ATOM 132 N ILE A 10 10.523 -0.518 6.352 1.00 2.78 N ATOM 133 CA ILE A 10 10.321 0.870 6.016 1.00 2.70 C ATOM 134 C ILE A 10 8.834 1.107 5.813 1.00 2.20 C ATOM 135 O ILE A 10 8.172 0.354 5.101 1.00 2.49 O ATOM 136 CB ILE A 10 11.151 1.310 4.785 1.00 2.80 C ATOM 137 CG1 ILE A 10 10.782 2.739 4.359 1.00 2.80 C ATOM 138 CG2 ILE A 10 11.012 0.334 3.629 1.00 2.55 C ATOM 139 CD1 ILE A 10 11.040 3.778 5.435 1.00 3.25 C ATOM 0 H ILE A 10 10.398 -1.163 5.572 1.00 2.78 H new ATOM 0 HA ILE A 10 10.679 1.488 6.839 1.00 2.70 H new ATOM 0 HB ILE A 10 12.201 1.306 5.079 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.351 3.002 3.467 1.00 2.80 H new ATOM 0 HG13 ILE A 10 9.728 2.767 4.084 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.610 0.681 2.786 1.00 2.55 H new ATOM 0 HG22 ILE A 10 11.360 -0.651 3.940 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.966 0.271 3.330 1.00 2.55 H new ATOM 0 HD11 ILE A 10 10.757 4.763 5.065 1.00 3.25 H new ATOM 0 HD12 ILE A 10 10.450 3.539 6.320 1.00 3.25 H new ATOM 0 HD13 ILE A 10 12.099 3.778 5.694 1.00 3.25 H new ATOM 151 N ILE A 11 8.323 2.114 6.506 1.00 1.98 N ATOM 152 CA ILE A 11 6.917 2.460 6.496 1.00 1.56 C ATOM 153 C ILE A 11 6.109 1.313 7.098 1.00 1.31 C ATOM 154 O ILE A 11 6.283 0.990 8.278 1.00 1.71 O ATOM 155 CB ILE A 11 6.384 2.851 5.094 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.347 3.832 4.410 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.001 3.483 5.207 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.833 4.356 3.090 1.00 2.05 C ATOM 0 H ILE A 11 8.887 2.722 7.100 1.00 1.98 H new ATOM 0 HA ILE A 11 6.798 3.355 7.106 1.00 1.56 H new ATOM 0 HB ILE A 11 6.312 1.946 4.491 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.533 4.673 5.078 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.304 3.336 4.248 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.641 3.752 4.214 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.312 2.772 5.662 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.060 4.378 5.826 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.563 5.043 2.662 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.674 3.523 2.405 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.891 4.880 3.249 1.00 2.05 H new ATOM 170 N ARG A 12 5.225 0.711 6.312 1.00 0.96 N ATOM 171 CA ARG A 12 4.384 -0.379 6.804 1.00 1.02 C ATOM 172 C ARG A 12 3.973 -1.334 5.682 1.00 0.77 C ATOM 173 O ARG A 12 3.949 -0.964 4.508 1.00 0.91 O ATOM 174 CB ARG A 12 3.106 0.190 7.441 1.00 1.53 C ATOM 175 CG ARG A 12 2.635 -0.566 8.671 1.00 2.10 C ATOM 176 CD ARG A 12 3.612 -0.412 9.822 1.00 2.67 C ATOM 177 NE ARG A 12 3.708 0.972 10.281 1.00 3.29 N ATOM 178 CZ ARG A 12 4.677 1.419 11.076 1.00 3.98 C ATOM 179 NH1 ARG A 12 5.842 0.784 11.080 1.00 4.30 N ATOM 180 NH2 ARG A 12 4.649 2.689 11.464 1.00 4.72 N ATOM 0 H ARG A 12 5.070 0.956 5.334 1.00 0.96 H new ATOM 0 HA ARG A 12 4.972 -0.929 7.538 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.281 1.231 7.713 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.309 0.184 6.697 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.654 -0.199 8.973 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.519 -1.622 8.429 1.00 2.10 H new ATOM 0 HD2 ARG A 12 3.298 -1.047 10.650 1.00 2.67 H new ATOM 0 HD3 ARG A 12 4.597 -0.759 9.510 1.00 2.67 H new ATOM 0 HE ARG A 12 2.993 1.632 9.975 1.00 3.29 H new ATOM 0 HH11 ARG A 12 5.981 -0.030 10.481 1.00 4.30 H new ATOM 0 HH12 ARG A 12 6.598 1.110 11.682 1.00 4.30 H new ATOM 0 HH21 ARG A 12 3.895 3.301 11.153 1.00 4.72 H new ATOM 0 HH22 ARG A 12 5.382 3.052 12.073 1.00 4.72 H new ATOM 194 N HIS A 13 3.620 -2.560 6.057 1.00 0.70 N ATOM 195 CA HIS A 13 3.170 -3.554 5.093 1.00 0.68 C ATOM 196 C HIS A 13 2.103 -4.449 5.739 1.00 0.74 C ATOM 197 O HIS A 13 2.366 -5.164 6.710 1.00 1.04 O ATOM 198 CB HIS A 13 4.362 -4.350 4.530 1.00 0.93 C ATOM 199 CG HIS A 13 4.906 -5.426 5.418 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.361 -5.206 6.700 1.00 1.69 N ATOM 201 CD2 HIS A 13 5.081 -6.740 5.182 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.794 -6.344 7.207 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.633 -7.288 6.309 1.00 1.80 N ATOM 0 H HIS A 13 3.638 -2.887 7.023 1.00 0.70 H new ATOM 0 HA HIS A 13 2.708 -3.058 4.240 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.058 -4.803 3.586 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.167 -3.651 4.304 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.832 -7.265 4.272 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.211 -6.477 8.194 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.879 -8.270 6.431 1.00 1.80 H new ATOM 212 N ASP A 14 0.889 -4.365 5.216 1.00 0.60 N ATOM 213 CA ASP A 14 -0.238 -5.124 5.751 1.00 0.69 C ATOM 214 C ASP A 14 -1.226 -5.500 4.646 1.00 0.61 C ATOM 215 O ASP A 14 -1.378 -4.772 3.666 1.00 0.86 O ATOM 216 CB ASP A 14 -0.960 -4.291 6.817 1.00 0.83 C ATOM 217 CG ASP A 14 -2.023 -5.089 7.553 1.00 1.31 C ATOM 218 OD1 ASP A 14 -1.704 -6.184 8.072 1.00 2.03 O ATOM 219 OD2 ASP A 14 -3.172 -4.617 7.640 1.00 1.78 O ATOM 0 H ASP A 14 0.656 -3.776 4.417 1.00 0.60 H new ATOM 0 HA ASP A 14 0.150 -6.042 6.193 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.231 -3.913 7.534 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.422 -3.424 6.345 1.00 0.83 H new ATOM 224 N ALA A 15 -1.898 -6.633 4.806 1.00 0.75 N ATOM 225 CA ALA A 15 -2.879 -7.097 3.821 1.00 0.71 C ATOM 226 C ALA A 15 -4.294 -6.744 4.237 1.00 0.68 C ATOM 227 O ALA A 15 -4.687 -6.958 5.384 1.00 0.88 O ATOM 228 CB ALA A 15 -2.778 -8.595 3.610 1.00 0.84 C ATOM 0 H ALA A 15 -1.784 -7.252 5.609 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.650 -6.588 2.885 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.518 -8.910 2.874 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.780 -8.845 3.251 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -2.963 -9.109 4.553 1.00 0.84 H new ATOM 234 N PHE A 16 -5.065 -6.233 3.288 1.00 0.60 N ATOM 235 CA PHE A 16 -6.446 -5.871 3.535 1.00 0.67 C ATOM 236 C PHE A 16 -7.347 -6.743 2.680 1.00 0.68 C ATOM 237 O PHE A 16 -6.870 -7.484 1.817 1.00 1.00 O ATOM 238 CB PHE A 16 -6.681 -4.385 3.243 1.00 0.77 C ATOM 239 CG PHE A 16 -5.897 -3.468 4.142 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.154 -3.436 5.494 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.904 -2.648 3.637 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.429 -2.612 6.336 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.173 -1.818 4.473 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.439 -1.799 5.824 1.00 2.35 C ATOM 0 H PHE A 16 -4.751 -6.060 2.333 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.680 -6.036 4.587 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -6.415 -4.180 2.206 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.743 -4.165 3.349 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -6.932 -4.063 5.903 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.695 -2.654 2.577 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -5.638 -2.605 7.396 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -3.397 -1.188 4.065 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.876 -1.151 6.479 1.00 2.35 H new ATOM 254 N GLN A 17 -8.640 -6.666 2.911 1.00 0.59 N ATOM 255 CA GLN A 17 -9.580 -7.471 2.160 1.00 0.60 C ATOM 256 C GLN A 17 -10.594 -6.557 1.510 1.00 0.64 C ATOM 257 O GLN A 17 -11.728 -6.405 1.971 1.00 0.95 O ATOM 258 CB GLN A 17 -10.220 -8.511 3.087 1.00 0.74 C ATOM 259 CG GLN A 17 -11.193 -9.455 2.393 1.00 1.07 C ATOM 260 CD GLN A 17 -11.423 -10.741 3.173 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.876 -10.716 4.320 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.117 -11.879 2.559 1.00 1.63 N ATOM 0 H GLN A 17 -9.064 -6.056 3.610 1.00 0.59 H new ATOM 0 HA GLN A 17 -9.078 -8.023 1.366 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.430 -9.100 3.553 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.745 -7.992 3.889 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -12.146 -8.946 2.250 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.811 -9.700 1.402 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.744 -11.862 1.610 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.255 -12.769 3.037 1.00 1.63 H new ATOM 271 N VAL A 18 -10.135 -5.907 0.454 1.00 0.51 N ATOM 272 CA VAL A 18 -10.927 -4.947 -0.265 1.00 0.59 C ATOM 273 C VAL A 18 -10.561 -4.885 -1.735 1.00 0.60 C ATOM 274 O VAL A 18 -9.519 -5.375 -2.180 1.00 1.04 O ATOM 275 CB VAL A 18 -10.752 -3.555 0.340 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.689 -3.358 1.526 1.00 1.24 C ATOM 277 CG2 VAL A 18 -9.297 -3.329 0.714 1.00 0.84 C ATOM 0 H VAL A 18 -9.197 -6.037 0.076 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.964 -5.272 -0.181 1.00 0.59 H new ATOM 0 HB VAL A 18 -11.022 -2.806 -0.404 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -11.547 -2.360 1.940 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.722 -3.470 1.196 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.470 -4.103 2.291 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -9.182 -2.334 1.144 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -8.988 -4.078 1.443 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.675 -3.413 -0.177 1.00 0.84 H new ATOM 287 N TRP A 19 -11.480 -4.298 -2.449 1.00 0.63 N ATOM 288 CA TRP A 19 -11.447 -4.104 -3.883 1.00 0.65 C ATOM 289 C TRP A 19 -10.130 -3.499 -4.386 1.00 0.68 C ATOM 290 O TRP A 19 -9.644 -2.498 -3.860 1.00 1.04 O ATOM 291 CB TRP A 19 -12.609 -3.192 -4.198 1.00 0.72 C ATOM 292 CG TRP A 19 -13.806 -3.487 -3.327 1.00 0.75 C ATOM 293 CD1 TRP A 19 -14.764 -4.432 -3.536 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.134 -2.865 -2.070 1.00 0.78 C ATOM 295 NE1 TRP A 19 -15.693 -4.395 -2.523 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.331 -3.438 -1.615 1.00 0.87 C ATOM 297 CE3 TRP A 19 -13.544 -1.859 -1.307 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -15.944 -3.046 -0.420 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.142 -1.466 -0.123 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.344 -2.053 0.304 1.00 0.96 C ATOM 0 H TRP A 19 -12.326 -3.917 -2.025 1.00 0.63 H new ATOM 0 HA TRP A 19 -11.521 -5.067 -4.389 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -12.305 -2.155 -4.058 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -12.886 -3.305 -5.246 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -14.790 -5.111 -4.375 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -16.521 -4.987 -2.459 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -12.629 -1.391 -1.637 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -16.858 -3.511 -0.081 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -13.679 -0.699 0.480 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -15.803 -1.714 1.221 1.00 0.96 H new ATOM 311 N GLU A 20 -9.575 -4.134 -5.411 1.00 0.69 N ATOM 312 CA GLU A 20 -8.309 -3.705 -6.022 1.00 0.77 C ATOM 313 C GLU A 20 -8.309 -4.043 -7.513 1.00 1.18 C ATOM 314 O GLU A 20 -7.337 -4.528 -8.102 1.00 1.81 O ATOM 315 CB GLU A 20 -7.152 -4.343 -5.249 1.00 1.04 C ATOM 316 CG GLU A 20 -5.759 -4.199 -5.856 1.00 1.26 C ATOM 317 CD GLU A 20 -5.366 -2.792 -6.238 1.00 1.90 C ATOM 318 OE1 GLU A 20 -5.986 -2.218 -7.161 1.00 2.42 O ATOM 319 OE2 GLU A 20 -4.403 -2.277 -5.643 1.00 2.62 O ATOM 0 H GLU A 20 -9.984 -4.961 -5.847 1.00 0.69 H new ATOM 0 HA GLU A 20 -8.186 -2.624 -5.959 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -7.133 -3.912 -4.248 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -7.365 -5.406 -5.134 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -5.028 -4.582 -5.144 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -5.700 -4.829 -6.743 1.00 1.26 H new ATOM 326 N GLY A 21 -9.460 -3.844 -8.102 1.00 1.49 N ATOM 327 CA GLY A 21 -9.646 -4.173 -9.491 1.00 1.95 C ATOM 328 C GLY A 21 -10.346 -5.494 -9.584 1.00 2.05 C ATOM 329 O GLY A 21 -10.275 -6.291 -8.642 1.00 2.48 O ATOM 0 H GLY A 21 -10.283 -3.456 -7.641 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -10.232 -3.399 -9.987 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -8.683 -4.219 -10.000 1.00 1.95 H new ATOM 333 N ASP A 22 -11.060 -5.718 -10.678 1.00 2.34 N ATOM 334 CA ASP A 22 -11.826 -6.951 -10.840 1.00 2.75 C ATOM 335 C ASP A 22 -12.811 -7.025 -9.676 1.00 2.43 C ATOM 336 O ASP A 22 -13.004 -8.066 -9.069 1.00 2.85 O ATOM 337 CB ASP A 22 -10.891 -8.181 -10.900 1.00 3.62 C ATOM 338 CG ASP A 22 -11.616 -9.493 -11.156 1.00 4.19 C ATOM 339 OD1 ASP A 22 -12.456 -9.542 -12.079 1.00 4.65 O ATOM 340 OD2 ASP A 22 -11.296 -10.495 -10.478 1.00 4.60 O ATOM 0 H ASP A 22 -11.127 -5.069 -11.462 1.00 2.34 H new ATOM 0 HA ASP A 22 -12.373 -6.951 -11.783 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -10.152 -8.026 -11.686 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -10.345 -8.256 -9.960 1.00 3.62 H new ATOM 345 N GLU A 23 -13.386 -5.840 -9.406 1.00 2.07 N ATOM 346 CA GLU A 23 -14.362 -5.565 -8.334 1.00 2.37 C ATOM 347 C GLU A 23 -14.357 -6.563 -7.152 1.00 1.70 C ATOM 348 O GLU A 23 -13.730 -6.231 -6.147 1.00 1.86 O ATOM 349 CB GLU A 23 -15.746 -5.312 -8.920 1.00 3.34 C ATOM 350 CG GLU A 23 -15.896 -3.902 -9.472 1.00 4.22 C ATOM 351 CD GLU A 23 -15.954 -2.828 -8.400 1.00 5.12 C ATOM 352 OE1 GLU A 23 -15.025 -2.741 -7.572 1.00 5.78 O ATOM 353 OE2 GLU A 23 -16.935 -2.054 -8.392 1.00 5.52 O ATOM 0 H GLU A 23 -13.173 -5.007 -9.955 1.00 2.07 H new ATOM 0 HA GLU A 23 -14.026 -4.646 -7.855 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -15.938 -6.032 -9.715 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -16.499 -5.479 -8.150 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -15.060 -3.692 -10.139 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -16.804 -3.852 -10.073 1.00 4.22 H new ATOM 360 N PRO A 24 -15.036 -7.761 -7.223 1.00 1.42 N ATOM 361 CA PRO A 24 -15.071 -8.754 -6.138 1.00 1.17 C ATOM 362 C PRO A 24 -13.879 -8.673 -5.177 1.00 0.97 C ATOM 363 O PRO A 24 -12.727 -8.886 -5.567 1.00 1.08 O ATOM 364 CB PRO A 24 -15.056 -10.069 -6.919 1.00 1.65 C ATOM 365 CG PRO A 24 -15.793 -9.774 -8.186 1.00 2.09 C ATOM 366 CD PRO A 24 -15.831 -8.269 -8.357 1.00 2.00 C ATOM 0 HA PRO A 24 -15.929 -8.614 -5.481 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.036 -10.396 -7.122 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.541 -10.867 -6.357 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -15.296 -10.243 -9.035 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -16.804 -10.180 -8.144 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -15.403 -7.965 -9.312 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -16.853 -7.890 -8.330 1.00 2.00 H new ATOM 374 N PRO A 25 -14.152 -8.328 -3.904 1.00 0.88 N ATOM 375 CA PRO A 25 -13.114 -8.181 -2.875 1.00 0.77 C ATOM 376 C PRO A 25 -12.346 -9.478 -2.625 1.00 0.74 C ATOM 377 O PRO A 25 -12.928 -10.538 -2.385 1.00 0.92 O ATOM 378 CB PRO A 25 -13.891 -7.714 -1.642 1.00 0.92 C ATOM 379 CG PRO A 25 -15.319 -8.057 -1.899 1.00 1.08 C ATOM 380 CD PRO A 25 -15.500 -8.030 -3.383 1.00 1.09 C ATOM 0 HA PRO A 25 -12.336 -7.477 -3.169 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.527 -8.209 -0.742 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.769 -6.642 -1.488 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.561 -9.041 -1.496 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.983 -7.342 -1.414 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -16.229 -8.771 -3.711 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.856 -7.058 -3.726 1.00 1.09 H new ATOM 388 N LYS A 26 -11.022 -9.369 -2.726 1.00 0.65 N ATOM 389 CA LYS A 26 -10.122 -10.498 -2.570 1.00 0.73 C ATOM 390 C LYS A 26 -9.301 -10.397 -1.294 1.00 0.66 C ATOM 391 O LYS A 26 -9.848 -10.283 -0.202 1.00 0.88 O ATOM 392 CB LYS A 26 -9.211 -10.561 -3.783 1.00 0.95 C ATOM 393 CG LYS A 26 -9.963 -10.795 -5.091 1.00 1.34 C ATOM 394 CD LYS A 26 -9.134 -10.462 -6.326 1.00 1.42 C ATOM 395 CE LYS A 26 -9.938 -10.669 -7.606 1.00 1.61 C ATOM 396 NZ LYS A 26 -9.189 -10.221 -8.811 1.00 2.20 N ATOM 0 H LYS A 26 -10.546 -8.488 -2.920 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.713 -11.410 -2.494 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.650 -9.629 -3.856 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.484 -11.361 -3.642 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -10.276 -11.838 -5.141 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.869 -10.190 -5.095 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -8.794 -9.428 -6.271 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -8.243 -11.089 -6.348 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -10.192 -11.724 -7.708 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -10.877 -10.120 -7.537 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -9.789 -10.331 -9.653 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -8.924 -9.221 -8.703 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -8.330 -10.797 -8.920 1.00 2.20 H new ATOM 410 N LEU A 27 -7.988 -10.412 -1.441 1.00 0.67 N ATOM 411 CA LEU A 27 -7.063 -10.307 -0.334 1.00 0.65 C ATOM 412 C LEU A 27 -5.801 -9.664 -0.891 1.00 0.67 C ATOM 413 O LEU A 27 -4.948 -10.336 -1.456 1.00 1.02 O ATOM 414 CB LEU A 27 -6.768 -11.701 0.216 1.00 0.76 C ATOM 415 CG LEU A 27 -6.538 -11.781 1.724 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.494 -13.233 2.156 1.00 1.23 C ATOM 417 CD2 LEU A 27 -5.260 -11.058 2.122 1.00 1.31 C ATOM 0 H LEU A 27 -7.531 -10.499 -2.349 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.469 -9.711 0.483 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.599 -12.357 -0.042 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.885 -12.092 -0.289 1.00 0.76 H new ATOM 0 HG LEU A 27 -7.366 -11.285 2.231 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -6.330 -13.288 3.232 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -7.440 -13.715 1.908 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -5.681 -13.742 1.639 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -5.121 -11.131 3.201 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.410 -11.515 1.615 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -5.331 -10.009 1.836 1.00 1.31 H new ATOM 429 N ARG A 28 -5.718 -8.354 -0.813 1.00 0.57 N ATOM 430 CA ARG A 28 -4.591 -7.640 -1.386 1.00 0.59 C ATOM 431 C ARG A 28 -3.528 -7.320 -0.352 1.00 0.55 C ATOM 432 O ARG A 28 -3.816 -6.738 0.697 1.00 0.64 O ATOM 433 CB ARG A 28 -5.088 -6.364 -2.055 1.00 0.71 C ATOM 434 CG ARG A 28 -6.233 -6.604 -3.021 1.00 1.41 C ATOM 435 CD ARG A 28 -5.805 -7.462 -4.210 1.00 1.72 C ATOM 436 NE ARG A 28 -4.705 -6.851 -4.965 1.00 1.97 N ATOM 437 CZ ARG A 28 -4.379 -7.179 -6.216 1.00 2.42 C ATOM 438 NH1 ARG A 28 -5.244 -7.848 -6.954 1.00 2.77 N ATOM 439 NH2 ARG A 28 -3.409 -6.524 -6.829 1.00 3.18 N ATOM 0 H ARG A 28 -6.413 -7.760 -0.361 1.00 0.57 H new ATOM 0 HA ARG A 28 -4.124 -8.288 -2.128 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.410 -5.660 -1.287 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.262 -5.896 -2.590 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -7.054 -7.094 -2.497 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -6.611 -5.647 -3.381 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -5.498 -8.446 -3.855 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -6.658 -7.614 -4.872 1.00 1.72 H new ATOM 0 HE ARG A 28 -4.154 -6.128 -4.503 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.151 -8.109 -6.566 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -5.006 -8.104 -7.912 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -2.916 -5.774 -6.346 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -3.154 -6.769 -7.786 1.00 3.18 H new ATOM 453 N TYR A 29 -2.294 -7.686 -0.674 1.00 0.55 N ATOM 454 CA TYR A 29 -1.158 -7.427 0.198 1.00 0.59 C ATOM 455 C TYR A 29 -0.623 -6.029 -0.081 1.00 0.55 C ATOM 456 O TYR A 29 0.023 -5.807 -1.109 1.00 0.70 O ATOM 457 CB TYR A 29 -0.044 -8.448 -0.049 1.00 0.71 C ATOM 458 CG TYR A 29 -0.421 -9.896 0.162 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.686 -10.273 0.602 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.505 -10.894 -0.100 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.005 -11.603 0.782 1.00 1.63 C ATOM 462 CE2 TYR A 29 0.194 -12.225 0.075 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.065 -12.574 0.514 1.00 1.26 C ATOM 464 OH TYR A 29 -1.386 -13.896 0.694 1.00 1.58 O ATOM 0 H TYR A 29 -2.054 -8.167 -1.541 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.486 -7.508 1.234 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.311 -8.330 -1.073 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.793 -8.211 0.608 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.428 -9.515 0.805 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.491 -10.623 -0.448 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -2.988 -11.882 1.132 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.930 -12.988 -0.130 1.00 1.55 H new ATOM 0 HH TYR A 29 -0.615 -14.454 0.460 1.00 1.58 H new ATOM 474 N VAL A 30 -0.907 -5.091 0.817 1.00 0.48 N ATOM 475 CA VAL A 30 -0.471 -3.708 0.658 1.00 0.48 C ATOM 476 C VAL A 30 0.877 -3.488 1.322 1.00 0.49 C ATOM 477 O VAL A 30 1.012 -3.555 2.545 1.00 0.59 O ATOM 478 CB VAL A 30 -1.487 -2.708 1.251 1.00 0.54 C ATOM 479 CG1 VAL A 30 -1.147 -1.279 0.842 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.897 -3.042 0.811 1.00 0.65 C ATOM 0 H VAL A 30 -1.441 -5.266 1.668 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.391 -3.529 -0.414 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.429 -2.787 2.337 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.877 -0.594 1.272 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.152 -1.024 1.206 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -1.169 -1.197 -0.245 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.593 -2.323 1.243 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.959 -2.999 -0.276 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -3.156 -4.045 1.150 1.00 0.65 H new ATOM 490 N PHE A 31 1.871 -3.240 0.503 1.00 0.49 N ATOM 491 CA PHE A 31 3.221 -3.020 0.982 1.00 0.54 C ATOM 492 C PHE A 31 3.703 -1.621 0.648 1.00 0.52 C ATOM 493 O PHE A 31 3.719 -1.241 -0.516 1.00 0.56 O ATOM 494 CB PHE A 31 4.174 -4.002 0.303 1.00 0.61 C ATOM 495 CG PHE A 31 3.825 -5.441 0.463 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.967 -6.071 1.683 1.00 1.22 C ATOM 497 CD2 PHE A 31 3.373 -6.167 -0.621 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.679 -7.410 1.820 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.079 -7.505 -0.488 1.00 1.49 C ATOM 500 CZ PHE A 31 3.234 -8.128 0.737 1.00 0.85 C ATOM 0 H PHE A 31 1.771 -3.184 -0.511 1.00 0.49 H new ATOM 0 HA PHE A 31 3.210 -3.159 2.063 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.211 -3.770 -0.761 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.177 -3.842 0.699 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.308 -5.507 2.539 1.00 1.22 H new ATOM 0 HD2 PHE A 31 3.249 -5.682 -1.578 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.803 -7.895 2.777 1.00 1.30 H new ATOM 0 HE2 PHE A 31 2.727 -8.068 -1.340 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.005 -9.178 0.842 1.00 0.85 H new ATOM 510 N LEU A 32 4.154 -0.867 1.630 1.00 0.57 N ATOM 511 CA LEU A 32 4.695 0.444 1.331 1.00 0.59 C ATOM 512 C LEU A 32 6.145 0.473 1.755 1.00 0.67 C ATOM 513 O LEU A 32 6.444 0.498 2.942 1.00 0.84 O ATOM 514 CB LEU A 32 3.974 1.605 2.020 1.00 0.74 C ATOM 515 CG LEU A 32 2.538 1.377 2.481 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.020 2.612 3.204 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.651 1.059 1.296 1.00 1.43 C ATOM 0 H LEU A 32 4.158 -1.129 2.616 1.00 0.57 H new ATOM 0 HA LEU A 32 4.563 0.589 0.259 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.563 1.896 2.890 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.975 2.454 1.336 1.00 0.74 H new ATOM 0 HG LEU A 32 2.521 0.531 3.168 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.994 2.440 3.529 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.647 2.815 4.072 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.048 3.467 2.529 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.629 0.899 1.639 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.671 1.891 0.593 1.00 1.43 H new ATOM 0 HD23 LEU A 32 2.013 0.158 0.802 1.00 1.43 H new ATOM 529 N PHE A 33 7.043 0.473 0.792 1.00 0.75 N ATOM 530 CA PHE A 33 8.467 0.509 1.082 1.00 0.96 C ATOM 531 C PHE A 33 9.086 1.708 0.382 1.00 1.08 C ATOM 532 O PHE A 33 9.363 1.669 -0.820 1.00 1.56 O ATOM 533 CB PHE A 33 9.161 -0.790 0.644 1.00 1.17 C ATOM 534 CG PHE A 33 8.751 -2.022 1.418 1.00 1.36 C ATOM 535 CD1 PHE A 33 7.526 -2.630 1.202 1.00 1.79 C ATOM 536 CD2 PHE A 33 9.597 -2.565 2.369 1.00 2.01 C ATOM 537 CE1 PHE A 33 7.153 -3.751 1.920 1.00 2.06 C ATOM 538 CE2 PHE A 33 9.230 -3.687 3.084 1.00 2.28 C ATOM 539 CZ PHE A 33 8.007 -4.281 2.858 1.00 2.01 C ATOM 0 H PHE A 33 6.814 0.448 -0.202 1.00 0.75 H new ATOM 0 HA PHE A 33 8.605 0.602 2.159 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.954 -0.957 -0.413 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.239 -0.660 0.741 1.00 1.17 H new ATOM 0 HD1 PHE A 33 6.852 -2.223 0.462 1.00 1.79 H new ATOM 0 HD2 PHE A 33 10.556 -2.105 2.554 1.00 2.01 H new ATOM 0 HE1 PHE A 33 6.191 -4.210 1.744 1.00 2.06 H new ATOM 0 HE2 PHE A 33 9.902 -4.100 3.822 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.720 -5.160 3.416 1.00 2.01 H new ATOM 549 N ARG A 34 9.244 2.777 1.153 1.00 1.04 N ATOM 550 CA ARG A 34 9.778 4.056 0.676 1.00 1.17 C ATOM 551 C ARG A 34 8.745 4.778 -0.179 1.00 1.03 C ATOM 552 O ARG A 34 7.560 4.764 0.143 1.00 1.87 O ATOM 553 CB ARG A 34 11.112 3.923 -0.077 1.00 1.83 C ATOM 554 CG ARG A 34 12.309 3.636 0.824 1.00 2.51 C ATOM 555 CD ARG A 34 13.637 3.838 0.096 1.00 3.05 C ATOM 556 NE ARG A 34 13.743 5.180 -0.482 1.00 3.66 N ATOM 557 CZ ARG A 34 14.857 5.696 -1.007 1.00 4.29 C ATOM 558 NH1 ARG A 34 16.037 5.292 -0.552 1.00 4.48 N ATOM 559 NH2 ARG A 34 14.784 6.872 -1.618 1.00 5.12 N ATOM 0 H ARG A 34 9.002 2.784 2.144 1.00 1.04 H new ATOM 0 HA ARG A 34 9.992 4.650 1.565 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.024 3.123 -0.812 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.299 4.844 -0.629 1.00 1.83 H new ATOM 0 HG2 ARG A 34 12.271 4.289 1.696 1.00 2.51 H new ATOM 0 HG3 ARG A 34 12.249 2.611 1.190 1.00 2.51 H new ATOM 0 HD2 ARG A 34 14.461 3.676 0.791 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.735 3.093 -0.694 1.00 3.05 H new ATOM 0 HE ARG A 34 12.905 5.762 -0.483 1.00 3.66 H new ATOM 0 HH11 ARG A 34 16.086 4.595 0.191 1.00 4.48 H new ATOM 0 HH12 ARG A 34 16.895 5.679 -0.945 1.00 4.48 H new ATOM 0 HH21 ARG A 34 13.891 7.361 -1.678 1.00 5.12 H new ATOM 0 HH22 ARG A 34 15.621 7.287 -2.027 1.00 5.12 H new ATOM 573 N ASN A 35 9.179 5.427 -1.248 1.00 0.98 N ATOM 574 CA ASN A 35 8.251 6.173 -2.090 1.00 1.38 C ATOM 575 C ASN A 35 7.621 5.322 -3.182 1.00 1.09 C ATOM 576 O ASN A 35 7.760 5.608 -4.371 1.00 1.24 O ATOM 577 CB ASN A 35 8.917 7.402 -2.699 1.00 2.08 C ATOM 578 CG ASN A 35 8.760 8.618 -1.817 1.00 2.84 C ATOM 579 OD1 ASN A 35 9.394 8.729 -0.767 1.00 3.26 O ATOM 580 ND2 ASN A 35 7.898 9.535 -2.235 1.00 3.64 N ATOM 0 H ASN A 35 10.152 5.454 -1.552 1.00 0.98 H new ATOM 0 HA ASN A 35 7.446 6.497 -1.430 1.00 1.38 H new ATOM 0 HB2 ASN A 35 9.977 7.201 -2.856 1.00 2.08 H new ATOM 0 HB3 ASN A 35 8.482 7.604 -3.678 1.00 2.08 H new ATOM 0 HD21 ASN A 35 7.738 10.375 -1.679 1.00 3.64 H new ATOM 0 HD22 ASN A 35 7.395 9.400 -3.112 1.00 3.64 H new ATOM 587 N LYS A 36 6.893 4.301 -2.763 1.00 0.89 N ATOM 588 CA LYS A 36 6.182 3.416 -3.675 1.00 0.69 C ATOM 589 C LYS A 36 5.336 2.441 -2.874 1.00 0.66 C ATOM 590 O LYS A 36 5.651 2.128 -1.728 1.00 0.77 O ATOM 591 CB LYS A 36 7.129 2.628 -4.589 1.00 0.80 C ATOM 592 CG LYS A 36 7.976 1.588 -3.874 1.00 1.05 C ATOM 593 CD LYS A 36 8.320 0.446 -4.812 1.00 1.32 C ATOM 594 CE LYS A 36 9.164 0.944 -5.971 1.00 1.84 C ATOM 595 NZ LYS A 36 9.383 -0.093 -7.002 1.00 2.23 N ATOM 0 H LYS A 36 6.777 4.060 -1.779 1.00 0.89 H new ATOM 0 HA LYS A 36 5.556 4.041 -4.312 1.00 0.69 H new ATOM 0 HB2 LYS A 36 6.540 2.131 -5.359 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.790 3.330 -5.097 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.891 2.049 -3.502 1.00 1.05 H new ATOM 0 HG3 LYS A 36 7.437 1.205 -3.007 1.00 1.05 H new ATOM 0 HD2 LYS A 36 8.860 -0.329 -4.268 1.00 1.32 H new ATOM 0 HD3 LYS A 36 7.405 -0.009 -5.190 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.677 1.806 -6.426 1.00 1.84 H new ATOM 0 HE3 LYS A 36 10.128 1.285 -5.593 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 9.965 0.299 -7.770 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 9.872 -0.907 -6.578 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.466 -0.401 -7.384 1.00 2.23 H new ATOM 609 N ILE A 37 4.277 1.957 -3.482 1.00 0.61 N ATOM 610 CA ILE A 37 3.389 1.000 -2.838 1.00 0.60 C ATOM 611 C ILE A 37 3.347 -0.262 -3.691 1.00 0.54 C ATOM 612 O ILE A 37 3.040 -0.195 -4.878 1.00 0.75 O ATOM 613 CB ILE A 37 1.959 1.576 -2.676 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.996 2.868 -1.844 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.015 0.546 -2.048 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.633 3.496 -1.588 1.00 1.01 C ATOM 0 H ILE A 37 4.003 2.210 -4.431 1.00 0.61 H new ATOM 0 HA ILE A 37 3.767 0.777 -1.840 1.00 0.60 H new ATOM 0 HB ILE A 37 1.572 1.814 -3.667 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.469 2.654 -0.885 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.627 3.596 -2.355 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.020 0.979 -1.947 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.964 -0.337 -2.685 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.389 0.262 -1.064 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.755 4.402 -0.994 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.163 3.746 -2.539 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.003 2.790 -1.047 1.00 1.01 H new ATOM 628 N MET A 38 3.666 -1.398 -3.096 1.00 0.51 N ATOM 629 CA MET A 38 3.669 -2.672 -3.808 1.00 0.59 C ATOM 630 C MET A 38 2.410 -3.460 -3.460 1.00 0.60 C ATOM 631 O MET A 38 1.965 -3.448 -2.312 1.00 0.98 O ATOM 632 CB MET A 38 4.916 -3.483 -3.440 1.00 0.75 C ATOM 633 CG MET A 38 5.146 -4.699 -4.322 1.00 1.40 C ATOM 634 SD MET A 38 5.388 -4.269 -6.058 1.00 1.72 S ATOM 635 CE MET A 38 5.538 -5.904 -6.770 1.00 2.53 C ATOM 0 H MET A 38 3.929 -1.468 -2.113 1.00 0.51 H new ATOM 0 HA MET A 38 3.684 -2.478 -4.881 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.789 -2.834 -3.499 1.00 0.75 H new ATOM 0 HB3 MET A 38 4.831 -3.810 -2.404 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.019 -5.243 -3.962 1.00 1.40 H new ATOM 0 HG3 MET A 38 4.293 -5.372 -4.235 1.00 1.40 H new ATOM 0 HE1 MET A 38 5.693 -5.820 -7.846 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.386 -6.420 -6.320 1.00 2.53 H new ATOM 0 HE3 MET A 38 4.626 -6.469 -6.578 1.00 2.53 H new ATOM 645 N PHE A 39 1.826 -4.111 -4.453 1.00 0.61 N ATOM 646 CA PHE A 39 0.595 -4.866 -4.249 1.00 0.71 C ATOM 647 C PHE A 39 0.655 -6.267 -4.812 1.00 0.72 C ATOM 648 O PHE A 39 0.572 -6.471 -6.020 1.00 1.08 O ATOM 649 CB PHE A 39 -0.543 -4.143 -4.923 1.00 1.11 C ATOM 650 CG PHE A 39 -1.351 -3.294 -4.007 1.00 0.58 C ATOM 651 CD1 PHE A 39 -2.434 -3.823 -3.330 1.00 1.31 C ATOM 652 CD2 PHE A 39 -1.044 -1.962 -3.845 1.00 1.32 C ATOM 653 CE1 PHE A 39 -3.203 -3.027 -2.511 1.00 1.69 C ATOM 654 CE2 PHE A 39 -1.803 -1.161 -3.022 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.886 -1.691 -2.357 1.00 1.57 C ATOM 0 H PHE A 39 2.182 -4.133 -5.409 1.00 0.61 H new ATOM 0 HA PHE A 39 0.450 -4.945 -3.172 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -0.141 -3.518 -5.720 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -1.198 -4.877 -5.393 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -2.679 -4.869 -3.444 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -0.199 -1.541 -4.369 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -4.052 -3.446 -1.990 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -1.549 -0.119 -2.898 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.487 -1.063 -1.716 1.00 1.57 H new ATOM 665 N THR A 40 0.746 -7.237 -3.937 1.00 0.63 N ATOM 666 CA THR A 40 0.751 -8.615 -4.365 1.00 0.74 C ATOM 667 C THR A 40 -0.690 -9.096 -4.466 1.00 0.84 C ATOM 668 O THR A 40 -1.512 -8.832 -3.583 1.00 1.16 O ATOM 669 CB THR A 40 1.570 -9.472 -3.417 1.00 0.98 C ATOM 670 OG1 THR A 40 2.857 -8.899 -3.251 1.00 1.45 O ATOM 671 CG2 THR A 40 1.745 -10.883 -3.919 1.00 1.35 C ATOM 0 H THR A 40 0.817 -7.100 -2.929 1.00 0.63 H new ATOM 0 HA THR A 40 1.221 -8.700 -5.345 1.00 0.74 H new ATOM 0 HB THR A 40 1.027 -9.509 -2.473 1.00 0.98 H new ATOM 0 HG1 THR A 40 3.385 -9.452 -2.637 1.00 1.45 H new ATOM 0 HG21 THR A 40 2.338 -11.453 -3.204 1.00 1.35 H new ATOM 0 HG22 THR A 40 0.768 -11.352 -4.035 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.256 -10.866 -4.882 1.00 1.35 H new ATOM 679 N GLU A 41 -0.998 -9.748 -5.573 1.00 1.04 N ATOM 680 CA GLU A 41 -2.345 -10.216 -5.848 1.00 1.27 C ATOM 681 C GLU A 41 -2.650 -11.586 -5.250 1.00 1.20 C ATOM 682 O GLU A 41 -1.996 -12.582 -5.548 1.00 1.66 O ATOM 683 CB GLU A 41 -2.553 -10.251 -7.361 1.00 1.89 C ATOM 684 CG GLU A 41 -3.853 -10.894 -7.811 1.00 2.55 C ATOM 685 CD GLU A 41 -4.489 -10.159 -8.973 1.00 3.05 C ATOM 686 OE1 GLU A 41 -4.175 -8.965 -9.167 1.00 3.46 O ATOM 687 OE2 GLU A 41 -5.343 -10.755 -9.659 1.00 3.56 O ATOM 0 H GLU A 41 -0.323 -9.968 -6.305 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.034 -9.519 -5.371 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -2.518 -9.230 -7.742 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -1.721 -10.790 -7.815 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.663 -11.928 -8.099 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.551 -10.919 -6.974 1.00 2.55 H new ATOM 694 N GLN A 42 -3.703 -11.620 -4.456 1.00 1.08 N ATOM 695 CA GLN A 42 -4.193 -12.854 -3.859 1.00 1.24 C ATOM 696 C GLN A 42 -5.673 -12.958 -4.194 1.00 1.37 C ATOM 697 O GLN A 42 -6.462 -12.083 -3.837 1.00 1.84 O ATOM 698 CB GLN A 42 -3.945 -12.910 -2.344 1.00 1.58 C ATOM 699 CG GLN A 42 -4.383 -14.225 -1.704 1.00 2.34 C ATOM 700 CD GLN A 42 -3.546 -15.419 -2.147 1.00 2.87 C ATOM 701 OE1 GLN A 42 -3.888 -16.569 -1.869 1.00 3.26 O ATOM 702 NE2 GLN A 42 -2.431 -15.155 -2.810 1.00 3.46 N ATOM 0 H GLN A 42 -4.245 -10.794 -4.205 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.648 -13.706 -4.267 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -2.883 -12.757 -2.152 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.477 -12.087 -1.866 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -4.324 -14.131 -0.620 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -5.428 -14.411 -1.951 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -2.180 -14.189 -3.022 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -1.823 -15.917 -3.109 1.00 3.46 H new ATOM 711 N ASP A 43 -6.032 -13.992 -4.937 1.00 1.32 N ATOM 712 CA ASP A 43 -7.412 -14.164 -5.378 1.00 1.60 C ATOM 713 C ASP A 43 -8.142 -15.198 -4.534 1.00 1.62 C ATOM 714 O ASP A 43 -7.510 -16.010 -3.858 1.00 1.97 O ATOM 715 CB ASP A 43 -7.445 -14.544 -6.866 1.00 2.08 C ATOM 716 CG ASP A 43 -8.854 -14.714 -7.412 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.729 -13.874 -7.113 1.00 2.96 O ATOM 718 OD2 ASP A 43 -9.081 -15.676 -8.165 1.00 2.87 O ATOM 0 H ASP A 43 -5.393 -14.723 -5.248 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.933 -13.216 -5.247 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.930 -13.775 -7.442 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.893 -15.473 -7.009 1.00 2.08 H new ATOM 723 N ALA A 44 -9.472 -15.152 -4.577 1.00 1.87 N ATOM 724 CA ALA A 44 -10.315 -16.071 -3.822 1.00 2.28 C ATOM 725 C ALA A 44 -11.752 -16.009 -4.320 1.00 2.75 C ATOM 726 O ALA A 44 -12.698 -15.971 -3.528 1.00 3.39 O ATOM 727 CB ALA A 44 -10.279 -15.728 -2.342 1.00 2.82 C ATOM 0 H ALA A 44 -9.993 -14.477 -5.136 1.00 1.87 H new ATOM 0 HA ALA A 44 -9.930 -17.080 -3.967 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -10.913 -16.423 -1.792 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -9.255 -15.803 -1.976 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -10.643 -14.711 -2.195 1.00 2.82 H new ATOM 861 N TYR A 54 0.531 -8.675 -11.903 1.00 2.10 N ATOM 862 CA TYR A 54 1.458 -7.813 -11.175 1.00 2.00 C ATOM 863 C TYR A 54 0.769 -6.510 -10.788 1.00 1.62 C ATOM 864 O TYR A 54 -0.059 -6.000 -11.545 1.00 1.96 O ATOM 865 CB TYR A 54 2.681 -7.508 -12.044 1.00 2.78 C ATOM 866 CG TYR A 54 3.384 -8.736 -12.577 1.00 3.45 C ATOM 867 CD1 TYR A 54 3.929 -9.676 -11.714 1.00 3.89 C ATOM 868 CD2 TYR A 54 3.493 -8.960 -13.947 1.00 4.24 C ATOM 869 CE1 TYR A 54 4.558 -10.804 -12.194 1.00 4.87 C ATOM 870 CE2 TYR A 54 4.121 -10.090 -14.435 1.00 5.15 C ATOM 871 CZ TYR A 54 4.650 -11.010 -13.554 1.00 5.40 C ATOM 872 OH TYR A 54 5.283 -12.138 -14.034 1.00 6.50 O ATOM 0 HA TYR A 54 1.779 -8.330 -10.270 1.00 2.00 H new ATOM 0 HB2 TYR A 54 2.370 -6.888 -12.884 1.00 2.78 H new ATOM 0 HB3 TYR A 54 3.390 -6.922 -11.460 1.00 2.78 H new ATOM 0 HD1 TYR A 54 3.859 -9.521 -10.648 1.00 3.89 H new ATOM 0 HD2 TYR A 54 3.081 -8.240 -14.638 1.00 4.24 H new ATOM 0 HE1 TYR A 54 4.977 -11.524 -11.507 1.00 4.87 H new ATOM 0 HE2 TYR A 54 4.197 -10.252 -15.500 1.00 5.15 H new ATOM 0 HH TYR A 54 5.261 -12.134 -15.014 1.00 6.50 H new ATOM 882 N SER A 55 1.086 -5.980 -9.610 1.00 1.34 N ATOM 883 CA SER A 55 0.460 -4.748 -9.154 1.00 1.50 C ATOM 884 C SER A 55 1.441 -3.854 -8.403 1.00 1.20 C ATOM 885 O SER A 55 1.996 -4.237 -7.373 1.00 1.33 O ATOM 886 CB SER A 55 -0.727 -5.086 -8.270 1.00 2.13 C ATOM 887 OG SER A 55 -1.501 -6.114 -8.864 1.00 2.61 O ATOM 0 H SER A 55 1.765 -6.380 -8.962 1.00 1.34 H new ATOM 0 HA SER A 55 0.125 -4.192 -10.030 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.379 -5.404 -7.287 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.342 -4.199 -8.119 1.00 2.13 H new ATOM 0 HG SER A 55 -2.329 -5.733 -9.224 1.00 2.61 H new ATOM 893 N SER A 56 1.644 -2.658 -8.928 1.00 1.07 N ATOM 894 CA SER A 56 2.544 -1.696 -8.324 1.00 0.91 C ATOM 895 C SER A 56 1.892 -0.317 -8.333 1.00 0.80 C ATOM 896 O SER A 56 1.056 -0.027 -9.191 1.00 0.93 O ATOM 897 CB SER A 56 3.861 -1.679 -9.093 1.00 1.09 C ATOM 898 OG SER A 56 4.873 -0.986 -8.380 1.00 1.73 O ATOM 0 H SER A 56 1.191 -2.329 -9.781 1.00 1.07 H new ATOM 0 HA SER A 56 2.750 -1.976 -7.291 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.185 -2.702 -9.284 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.710 -1.206 -10.064 1.00 1.09 H new ATOM 0 HG SER A 56 5.704 -0.995 -8.900 1.00 1.73 H new ATOM 904 N ILE A 57 2.242 0.518 -7.373 1.00 0.68 N ATOM 905 CA ILE A 57 1.658 1.848 -7.270 1.00 0.67 C ATOM 906 C ILE A 57 2.727 2.909 -7.036 1.00 0.63 C ATOM 907 O ILE A 57 3.432 2.876 -6.024 1.00 0.81 O ATOM 908 CB ILE A 57 0.636 1.893 -6.106 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.636 1.124 -6.468 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.288 3.326 -5.706 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.499 1.842 -7.477 1.00 0.81 C ATOM 0 H ILE A 57 2.929 0.301 -6.651 1.00 0.68 H new ATOM 0 HA ILE A 57 1.157 2.061 -8.214 1.00 0.67 H new ATOM 0 HB ILE A 57 1.108 1.413 -5.249 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.361 0.147 -6.865 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.217 0.949 -5.562 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.431 3.311 -4.887 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.192 3.844 -5.386 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.145 3.847 -6.560 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.385 1.243 -7.690 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.803 2.808 -7.074 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.934 1.994 -8.397 1.00 0.81 H new ATOM 923 N ARG A 58 2.823 3.872 -7.949 1.00 0.66 N ATOM 924 CA ARG A 58 3.783 4.959 -7.792 1.00 0.73 C ATOM 925 C ARG A 58 3.293 5.884 -6.690 1.00 0.75 C ATOM 926 O ARG A 58 2.205 6.442 -6.784 1.00 0.91 O ATOM 927 CB ARG A 58 3.977 5.760 -9.096 1.00 0.96 C ATOM 928 CG ARG A 58 2.691 6.299 -9.713 1.00 1.24 C ATOM 929 CD ARG A 58 2.960 7.261 -10.861 1.00 1.86 C ATOM 930 NE ARG A 58 3.473 6.616 -12.067 1.00 2.47 N ATOM 931 CZ ARG A 58 3.856 7.307 -13.139 1.00 2.95 C ATOM 932 NH1 ARG A 58 4.089 8.607 -13.028 1.00 3.22 N ATOM 933 NH2 ARG A 58 4.228 6.676 -14.238 1.00 3.70 N ATOM 0 H ARG A 58 2.255 3.922 -8.795 1.00 0.66 H new ATOM 0 HA ARG A 58 4.750 4.526 -7.534 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.646 6.597 -8.896 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.475 5.122 -9.827 1.00 0.96 H new ATOM 0 HG2 ARG A 58 2.087 5.466 -10.074 1.00 1.24 H new ATOM 0 HG3 ARG A 58 2.107 6.807 -8.945 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.036 7.785 -11.106 1.00 1.86 H new ATOM 0 HD3 ARG A 58 3.676 8.014 -10.531 1.00 1.86 H new ATOM 0 HE ARG A 58 3.540 5.598 -12.089 1.00 2.47 H new ATOM 0 HH11 ARG A 58 3.975 9.070 -12.127 1.00 3.22 H new ATOM 0 HH12 ARG A 58 4.383 9.144 -13.844 1.00 3.22 H new ATOM 0 HH21 ARG A 58 4.222 5.656 -14.267 1.00 3.70 H new ATOM 0 HH22 ARG A 58 4.521 7.208 -15.057 1.00 3.70 H new ATOM 947 N LEU A 59 4.079 6.040 -5.641 1.00 0.85 N ATOM 948 CA LEU A 59 3.685 6.899 -4.534 1.00 1.02 C ATOM 949 C LEU A 59 3.969 8.355 -4.850 1.00 1.15 C ATOM 950 O LEU A 59 3.836 9.230 -3.997 1.00 1.59 O ATOM 951 CB LEU A 59 4.373 6.465 -3.240 1.00 1.28 C ATOM 952 CG LEU A 59 3.845 7.121 -1.965 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.406 6.708 -1.719 1.00 1.35 C ATOM 954 CD2 LEU A 59 4.700 6.752 -0.771 1.00 1.79 C ATOM 0 H LEU A 59 4.987 5.589 -5.530 1.00 0.85 H new ATOM 0 HA LEU A 59 2.609 6.797 -4.389 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.273 5.384 -3.140 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.438 6.680 -3.325 1.00 1.28 H new ATOM 0 HG LEU A 59 3.889 8.202 -2.098 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.042 7.182 -0.808 1.00 1.35 H new ATOM 0 HD12 LEU A 59 1.789 7.020 -2.562 1.00 1.35 H new ATOM 0 HD13 LEU A 59 2.352 5.625 -1.611 1.00 1.35 H new ATOM 0 HD21 LEU A 59 4.303 7.232 0.123 1.00 1.79 H new ATOM 0 HD22 LEU A 59 4.690 5.670 -0.637 1.00 1.79 H new ATOM 0 HD23 LEU A 59 5.723 7.088 -0.939 1.00 1.79 H new ATOM 966 N ASP A 60 4.291 8.612 -6.100 1.00 1.13 N ATOM 967 CA ASP A 60 4.513 9.959 -6.559 1.00 1.33 C ATOM 968 C ASP A 60 3.157 10.635 -6.705 1.00 1.33 C ATOM 969 O ASP A 60 2.530 11.039 -5.722 1.00 1.56 O ATOM 970 CB ASP A 60 5.254 9.968 -7.911 1.00 1.46 C ATOM 971 CG ASP A 60 6.738 9.689 -7.801 1.00 1.90 C ATOM 972 OD1 ASP A 60 7.465 10.520 -7.219 1.00 2.52 O ATOM 973 OD2 ASP A 60 7.192 8.642 -8.316 1.00 2.27 O ATOM 0 H ASP A 60 4.405 7.897 -6.818 1.00 1.13 H new ATOM 0 HA ASP A 60 5.134 10.493 -5.839 1.00 1.33 H new ATOM 0 HB2 ASP A 60 4.802 9.223 -8.566 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.111 10.939 -8.386 1.00 1.46 H new ATOM 978 N LYS A 61 2.736 10.807 -7.936 1.00 1.22 N ATOM 979 CA LYS A 61 1.486 11.502 -8.207 1.00 1.28 C ATOM 980 C LYS A 61 0.351 10.598 -8.670 1.00 1.06 C ATOM 981 O LYS A 61 0.231 10.250 -9.847 1.00 1.27 O ATOM 982 CB LYS A 61 1.707 12.641 -9.206 1.00 1.60 C ATOM 983 CG LYS A 61 2.818 13.598 -8.786 1.00 1.93 C ATOM 984 CD LYS A 61 2.598 15.016 -9.306 1.00 2.55 C ATOM 985 CE LYS A 61 1.316 15.635 -8.765 1.00 3.16 C ATOM 986 NZ LYS A 61 1.321 15.750 -7.276 1.00 3.92 N ATOM 0 H LYS A 61 3.232 10.480 -8.765 1.00 1.22 H new ATOM 0 HA LYS A 61 1.165 11.909 -7.248 1.00 1.28 H new ATOM 0 HB2 LYS A 61 1.949 12.219 -10.181 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.778 13.200 -9.322 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.882 13.620 -7.698 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.773 13.224 -9.154 1.00 1.93 H new ATOM 0 HD2 LYS A 61 3.447 15.640 -9.026 1.00 2.55 H new ATOM 0 HD3 LYS A 61 2.560 15.000 -10.395 1.00 2.55 H new ATOM 0 HE2 LYS A 61 1.181 16.624 -9.202 1.00 3.16 H new ATOM 0 HE3 LYS A 61 0.464 15.030 -9.077 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 0.492 16.297 -6.967 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 1.286 14.800 -6.854 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 2.189 16.233 -6.968 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.513 10.298 -7.729 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.704 9.526 -7.967 1.00 0.69 C ATOM 1002 C TYR A 62 -2.808 10.214 -7.177 1.00 0.67 C ATOM 1003 O TYR A 62 -2.505 10.952 -6.233 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.510 8.053 -7.568 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.378 7.800 -6.077 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -0.139 7.852 -5.455 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -2.492 7.528 -5.291 1.00 1.49 C ATOM 1008 CE1 TYR A 62 -0.013 7.627 -4.093 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -2.372 7.304 -3.935 1.00 1.84 C ATOM 1010 CZ TYR A 62 -1.133 7.362 -3.340 1.00 1.66 C ATOM 1011 OH TYR A 62 -1.009 7.145 -1.985 1.00 2.21 O ATOM 0 H TYR A 62 -0.403 10.591 -6.758 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.960 9.491 -9.026 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.355 7.477 -7.945 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.618 7.673 -8.065 1.00 0.70 H new ATOM 0 HD1 TYR A 62 0.741 8.071 -6.041 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -3.469 7.491 -5.750 1.00 1.49 H new ATOM 0 HE1 TYR A 62 0.960 7.660 -3.625 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -3.248 7.084 -3.343 1.00 1.84 H new ATOM 0 HH TYR A 62 -0.243 7.650 -1.642 1.00 2.21 H new ATOM 1021 N ASN A 63 -4.056 10.025 -7.542 1.00 0.64 N ATOM 1022 CA ASN A 63 -5.131 10.683 -6.828 1.00 0.73 C ATOM 1023 C ASN A 63 -5.572 9.806 -5.685 1.00 0.64 C ATOM 1024 O ASN A 63 -5.753 8.610 -5.848 1.00 0.73 O ATOM 1025 CB ASN A 63 -6.311 10.986 -7.762 1.00 0.89 C ATOM 1026 CG ASN A 63 -7.211 12.107 -7.264 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -8.243 12.399 -7.871 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -6.817 12.771 -6.185 1.00 2.13 N ATOM 0 H ASN A 63 -4.351 9.431 -8.317 1.00 0.64 H new ATOM 0 HA ASN A 63 -4.769 11.635 -6.439 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.925 11.251 -8.746 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.907 10.082 -7.886 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -7.374 13.550 -5.834 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -5.957 12.503 -5.707 1.00 2.13 H new ATOM 1035 N ILE A 64 -5.701 10.390 -4.519 1.00 0.74 N ATOM 1036 CA ILE A 64 -6.089 9.629 -3.350 1.00 0.70 C ATOM 1037 C ILE A 64 -7.083 10.379 -2.474 1.00 0.79 C ATOM 1038 O ILE A 64 -6.923 11.568 -2.191 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.867 9.229 -2.501 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -5.309 8.269 -1.400 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -4.188 10.457 -1.908 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.170 7.659 -0.638 1.00 1.18 C ATOM 0 H ILE A 64 -5.545 11.384 -4.351 1.00 0.74 H new ATOM 0 HA ILE A 64 -6.573 8.729 -3.728 1.00 0.70 H new ATOM 0 HB ILE A 64 -4.139 8.730 -3.141 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.956 8.802 -0.704 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.906 7.472 -1.843 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -3.329 10.146 -1.314 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.855 11.113 -2.713 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.894 10.992 -1.273 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.562 6.989 0.127 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.534 7.097 -1.322 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.585 8.448 -0.165 1.00 1.18 H new ATOM 1054 N ARG A 65 -8.087 9.653 -2.023 1.00 0.69 N ATOM 1055 CA ARG A 65 -9.104 10.186 -1.138 1.00 0.80 C ATOM 1056 C ARG A 65 -9.353 9.160 -0.062 1.00 0.68 C ATOM 1057 O ARG A 65 -9.363 7.968 -0.330 1.00 0.71 O ATOM 1058 CB ARG A 65 -10.418 10.498 -1.859 1.00 0.97 C ATOM 1059 CG ARG A 65 -10.283 11.501 -2.994 1.00 1.24 C ATOM 1060 CD ARG A 65 -9.770 12.844 -2.481 1.00 1.78 C ATOM 1061 NE ARG A 65 -9.527 13.817 -3.544 1.00 2.20 N ATOM 1062 CZ ARG A 65 -8.980 15.010 -3.333 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -8.279 15.213 -2.231 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -8.826 15.840 -4.348 1.00 3.57 N ATOM 0 H ARG A 65 -8.221 8.670 -2.262 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.744 11.129 -0.727 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.831 9.571 -2.256 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -11.135 10.882 -1.133 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -9.600 11.111 -3.749 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -11.249 11.638 -3.479 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -10.494 13.257 -1.779 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -8.845 12.684 -1.927 1.00 1.78 H new ATOM 0 HE ARG A 65 -9.791 13.568 -4.497 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.163 14.459 -1.554 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -7.854 16.124 -2.057 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -9.126 15.563 -5.283 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -8.407 16.758 -4.197 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.482 9.609 1.150 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.663 8.691 2.255 1.00 0.83 C ATOM 1080 C GLN A 66 -11.145 8.494 2.609 1.00 0.99 C ATOM 1081 O GLN A 66 -11.961 8.289 1.719 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.819 9.141 3.456 1.00 0.97 C ATOM 1083 CG GLN A 66 -9.164 10.505 4.031 1.00 1.30 C ATOM 1084 CD GLN A 66 -8.397 11.635 3.387 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -8.592 11.954 2.216 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -7.509 12.240 4.156 1.00 2.45 N ATOM 0 H GLN A 66 -9.467 10.596 1.407 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.306 7.708 1.948 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.921 8.398 4.247 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.771 9.148 3.158 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -10.232 10.684 3.909 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.962 10.502 5.102 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -7.383 11.940 5.123 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -6.950 13.007 3.783 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.469 8.594 3.895 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.839 8.467 4.408 1.00 1.14 C ATOM 1097 C HIS A 67 -12.829 8.364 5.926 1.00 1.30 C ATOM 1098 O HIS A 67 -11.985 7.679 6.508 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.580 7.243 3.821 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.631 7.582 2.795 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.763 8.311 3.084 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.701 7.305 1.468 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -16.478 8.472 1.985 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -15.856 7.869 0.991 1.00 1.61 N ATOM 0 H HIS A 67 -10.779 8.768 4.626 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.374 9.364 4.096 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -12.848 6.575 3.366 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.050 6.693 4.636 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.979 6.743 0.893 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -17.413 9.007 1.913 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -16.181 7.829 0.025 1.00 1.61 H new ATOM 1113 N THR A 68 -13.782 9.031 6.554 1.00 1.74 N ATOM 1114 CA THR A 68 -13.915 9.005 7.994 1.00 2.04 C ATOM 1115 C THR A 68 -15.115 8.120 8.361 1.00 1.92 C ATOM 1116 O THR A 68 -15.096 6.918 8.108 1.00 2.16 O ATOM 1117 CB THR A 68 -14.096 10.426 8.532 1.00 2.74 C ATOM 1118 OG1 THR A 68 -13.244 11.334 7.856 1.00 3.12 O ATOM 1119 CG2 THR A 68 -13.802 10.539 10.011 1.00 3.23 C ATOM 0 H THR A 68 -14.481 9.603 6.079 1.00 1.74 H new ATOM 0 HA THR A 68 -13.013 8.592 8.446 1.00 2.04 H new ATOM 0 HB THR A 68 -15.144 10.670 8.361 1.00 2.74 H new ATOM 0 HG1 THR A 68 -13.377 12.236 8.214 1.00 3.12 H new ATOM 0 HG21 THR A 68 -13.948 11.570 10.333 1.00 3.23 H new ATOM 0 HG22 THR A 68 -14.475 9.886 10.567 1.00 3.23 H new ATOM 0 HG23 THR A 68 -12.770 10.242 10.201 1.00 3.23 H new ATOM 1127 N THR A 69 -16.162 8.729 8.927 1.00 2.34 N ATOM 1128 CA THR A 69 -17.389 8.024 9.310 1.00 2.58 C ATOM 1129 C THR A 69 -17.074 6.736 10.082 1.00 2.35 C ATOM 1130 O THR A 69 -17.544 5.651 9.727 1.00 2.76 O ATOM 1131 CB THR A 69 -18.246 7.750 8.063 1.00 3.11 C ATOM 1132 OG1 THR A 69 -18.244 8.891 7.211 1.00 3.61 O ATOM 1133 CG2 THR A 69 -19.696 7.438 8.381 1.00 3.69 C ATOM 0 H THR A 69 -16.182 9.728 9.133 1.00 2.34 H new ATOM 0 HA THR A 69 -17.963 8.660 9.984 1.00 2.58 H new ATOM 0 HB THR A 69 -17.798 6.878 7.587 1.00 3.11 H new ATOM 0 HG1 THR A 69 -18.790 8.708 6.418 1.00 3.61 H new ATOM 0 HG21 THR A 69 -20.241 7.256 7.455 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.747 6.551 9.013 1.00 3.69 H new ATOM 0 HG23 THR A 69 -20.144 8.283 8.905 1.00 3.69 H new ATOM 1141 N ASP A 70 -16.289 6.891 11.155 1.00 2.34 N ATOM 1142 CA ASP A 70 -15.889 5.797 12.035 1.00 2.43 C ATOM 1143 C ASP A 70 -15.371 4.568 11.275 1.00 2.17 C ATOM 1144 O ASP A 70 -15.457 3.441 11.766 1.00 2.45 O ATOM 1145 CB ASP A 70 -17.055 5.429 12.935 1.00 3.01 C ATOM 1146 CG ASP A 70 -17.414 6.542 13.905 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -16.569 6.909 14.748 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -18.540 7.070 13.824 1.00 3.96 O ATOM 0 H ASP A 70 -15.911 7.795 11.437 1.00 2.34 H new ATOM 0 HA ASP A 70 -15.050 6.147 12.637 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -17.924 5.192 12.321 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -16.807 4.528 13.496 1.00 3.01 H new ATOM 1153 N GLU A 71 -14.809 4.792 10.095 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.251 3.717 9.280 1.00 2.00 C ATOM 1155 C GLU A 71 -13.103 4.244 8.442 1.00 1.55 C ATOM 1156 O GLU A 71 -13.321 4.849 7.394 1.00 1.90 O ATOM 1157 CB GLU A 71 -15.293 3.099 8.348 1.00 2.69 C ATOM 1158 CG GLU A 71 -16.241 2.127 9.023 1.00 3.30 C ATOM 1159 CD GLU A 71 -17.117 1.413 8.023 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -16.577 0.637 7.203 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -18.344 1.631 8.042 1.00 4.50 O ATOM 0 H GLU A 71 -14.726 5.718 9.676 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.903 2.945 9.966 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -15.876 3.900 7.894 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -14.777 2.582 7.539 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.667 1.395 9.591 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -16.866 2.665 9.736 1.00 3.30 H new ATOM 1168 N ASP A 72 -11.890 4.010 8.908 1.00 1.31 N ATOM 1169 CA ASP A 72 -10.702 4.461 8.201 1.00 1.10 C ATOM 1170 C ASP A 72 -10.618 3.804 6.836 1.00 0.90 C ATOM 1171 O ASP A 72 -10.741 2.585 6.713 1.00 1.26 O ATOM 1172 CB ASP A 72 -9.450 4.152 9.014 1.00 1.58 C ATOM 1173 CG ASP A 72 -9.482 4.814 10.371 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -9.580 6.060 10.422 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -9.426 4.096 11.391 1.00 2.64 O ATOM 0 H ASP A 72 -11.700 3.509 9.776 1.00 1.31 H new ATOM 0 HA ASP A 72 -10.770 5.540 8.064 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.355 3.073 9.138 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -8.569 4.488 8.467 1.00 1.58 H new ATOM 1180 N THR A 73 -10.479 4.627 5.811 1.00 0.74 N ATOM 1181 CA THR A 73 -10.449 4.149 4.443 1.00 0.65 C ATOM 1182 C THR A 73 -9.418 4.900 3.576 1.00 0.60 C ATOM 1183 O THR A 73 -9.144 6.080 3.804 1.00 0.79 O ATOM 1184 CB THR A 73 -11.863 4.309 3.887 1.00 0.79 C ATOM 1185 OG1 THR A 73 -12.736 3.334 4.439 1.00 0.89 O ATOM 1186 CG2 THR A 73 -11.953 4.237 2.384 1.00 0.94 C ATOM 0 H THR A 73 -10.384 5.638 5.904 1.00 0.74 H new ATOM 0 HA THR A 73 -10.134 3.106 4.423 1.00 0.65 H new ATOM 0 HB THR A 73 -12.164 5.315 4.180 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.018 3.617 5.334 1.00 0.89 H new ATOM 0 HG21 THR A 73 -12.991 4.360 2.075 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.347 5.030 1.945 1.00 0.94 H new ATOM 0 HG23 THR A 73 -11.586 3.269 2.043 1.00 0.94 H new ATOM 1194 N ILE A 74 -8.875 4.198 2.570 1.00 0.53 N ATOM 1195 CA ILE A 74 -7.898 4.753 1.628 1.00 0.52 C ATOM 1196 C ILE A 74 -8.314 4.410 0.186 1.00 0.50 C ATOM 1197 O ILE A 74 -8.182 3.276 -0.268 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.468 4.221 1.901 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.027 4.605 3.318 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.480 4.771 0.876 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -5.916 6.112 3.529 1.00 0.99 C ATOM 0 H ILE A 74 -9.105 3.221 2.388 1.00 0.53 H new ATOM 0 HA ILE A 74 -7.882 5.834 1.763 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.482 3.135 1.814 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -6.738 4.196 4.036 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.062 4.144 3.528 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.483 4.384 1.088 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.784 4.463 -0.124 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.466 5.859 0.932 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -5.600 6.314 4.552 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.183 6.524 2.835 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -6.886 6.577 3.350 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.846 5.396 -0.516 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.306 5.215 -1.891 1.00 0.45 C ATOM 1215 C VAL A 75 -8.290 5.786 -2.874 1.00 0.46 C ATOM 1216 O VAL A 75 -7.960 6.972 -2.814 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.672 5.909 -2.132 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.110 5.767 -3.581 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.734 5.352 -1.199 1.00 0.61 C ATOM 0 H VAL A 75 -8.973 6.342 -0.155 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.420 4.143 -2.051 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.548 6.970 -1.917 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.071 6.263 -3.721 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -10.366 6.226 -4.233 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -11.208 4.710 -3.830 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.683 5.854 -1.387 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.848 4.282 -1.375 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.434 5.519 -0.165 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.812 4.952 -3.783 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.853 5.397 -4.780 1.00 0.58 C ATOM 1231 C LEU A 76 -7.528 5.589 -6.135 1.00 0.59 C ATOM 1232 O LEU A 76 -8.224 4.697 -6.628 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.673 4.422 -4.905 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.628 4.508 -3.787 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.160 3.901 -2.501 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.329 3.833 -4.194 1.00 1.04 C ATOM 0 H LEU A 76 -8.071 3.968 -3.851 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.460 6.357 -4.446 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -6.065 3.405 -4.935 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -5.176 4.600 -5.858 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.420 5.563 -3.611 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.400 3.974 -1.723 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.054 4.440 -2.187 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.408 2.853 -2.669 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.608 3.911 -3.380 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.518 2.782 -4.412 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.928 4.321 -5.082 1.00 1.04 H new ATOM 1248 N GLN A 77 -7.303 6.755 -6.728 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.862 7.098 -8.032 1.00 0.74 C ATOM 1250 C GLN A 77 -6.730 7.460 -8.987 1.00 0.78 C ATOM 1251 O GLN A 77 -5.727 8.036 -8.577 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.841 8.278 -7.921 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.928 8.059 -6.895 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.902 9.216 -6.803 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.519 10.351 -6.529 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -12.175 8.924 -7.009 1.00 2.03 N ATOM 0 H GLN A 77 -6.727 7.491 -6.319 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.409 6.235 -8.412 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.285 9.179 -7.664 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -9.300 8.453 -8.894 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.476 7.150 -7.143 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.471 7.899 -5.919 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -12.449 7.968 -7.234 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.883 9.655 -6.943 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.831 7.089 -10.261 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.771 7.359 -11.220 1.00 0.99 C ATOM 1267 C PRO A 78 -5.891 8.676 -11.975 1.00 1.02 C ATOM 1268 O PRO A 78 -6.978 9.074 -12.404 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.916 6.208 -12.194 1.00 1.43 C ATOM 1270 CG PRO A 78 -7.363 5.839 -12.179 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.941 6.331 -10.868 1.00 1.20 C ATOM 0 HA PRO A 78 -4.811 7.445 -10.710 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -5.598 6.501 -13.195 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -5.294 5.364 -11.896 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.884 6.292 -13.022 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -7.485 4.760 -12.272 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.816 6.961 -11.027 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -8.255 5.503 -10.233 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.743 9.305 -12.198 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.668 10.533 -12.979 1.00 1.56 C ATOM 1281 C GLN A 79 -4.126 10.145 -14.338 1.00 1.66 C ATOM 1282 O GLN A 79 -3.976 10.961 -15.249 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.727 11.559 -12.352 1.00 2.04 C ATOM 1284 CG GLN A 79 -3.526 11.415 -10.854 1.00 2.20 C ATOM 1285 CD GLN A 79 -2.453 12.360 -10.328 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -2.291 12.526 -9.121 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.700 12.977 -11.231 1.00 3.46 N ATOM 0 H GLN A 79 -3.843 8.980 -11.845 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.656 10.990 -13.031 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -2.756 11.486 -12.842 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.114 12.557 -12.557 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -4.467 11.614 -10.341 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -3.248 10.387 -10.623 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -1.861 12.816 -12.225 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.960 13.611 -10.930 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.864 8.855 -14.439 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.354 8.229 -15.636 1.00 1.81 C ATOM 1298 C GLU A 80 -3.911 6.805 -15.709 1.00 1.62 C ATOM 1299 O GLU A 80 -4.043 6.161 -14.671 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.836 8.183 -15.554 1.00 2.37 C ATOM 1301 CG GLU A 80 -1.126 8.032 -16.893 1.00 3.06 C ATOM 1302 CD GLU A 80 -1.195 9.293 -17.733 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -2.297 9.657 -18.197 1.00 4.42 O ATOM 1304 OE2 GLU A 80 -0.145 9.939 -17.929 1.00 4.35 O ATOM 0 H GLU A 80 -4.005 8.201 -13.669 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.652 8.788 -16.523 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -1.485 9.096 -15.074 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.546 7.353 -14.910 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.082 7.772 -16.719 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -1.573 7.206 -17.446 1.00 3.06 H new ATOM 1311 N PRO A 81 -4.242 6.281 -16.907 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.776 4.917 -17.049 1.00 2.28 C ATOM 1313 C PRO A 81 -3.862 3.860 -16.430 1.00 2.24 C ATOM 1314 O PRO A 81 -4.331 2.860 -15.880 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.880 4.709 -18.560 1.00 2.89 C ATOM 1316 CG PRO A 81 -4.883 6.072 -19.152 1.00 3.10 C ATOM 1317 CD PRO A 81 -4.123 6.963 -18.203 1.00 2.53 C ATOM 0 HA PRO A 81 -5.728 4.811 -16.530 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -4.041 4.121 -18.933 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.789 4.167 -18.819 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -4.414 6.067 -20.136 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -5.903 6.432 -19.287 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -3.081 7.070 -18.504 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -4.550 7.965 -18.168 1.00 2.53 H new ATOM 1325 N GLY A 82 -2.559 4.107 -16.496 1.00 1.99 N ATOM 1326 CA GLY A 82 -1.589 3.198 -15.909 1.00 2.10 C ATOM 1327 C GLY A 82 -1.502 3.412 -14.406 1.00 1.96 C ATOM 1328 O GLY A 82 -0.445 3.733 -13.864 1.00 2.51 O ATOM 0 H GLY A 82 -2.154 4.926 -16.949 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -1.874 2.167 -16.120 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -0.611 3.358 -16.363 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.642 3.242 -13.757 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.812 3.406 -12.320 1.00 1.40 C ATOM 1334 C LEU A 83 -4.215 2.888 -12.006 1.00 1.22 C ATOM 1335 O LEU A 83 -5.204 3.442 -12.473 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.671 4.899 -11.931 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.228 5.214 -10.492 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -3.219 4.655 -9.480 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -0.820 4.695 -10.232 1.00 1.26 C ATOM 0 H LEU A 83 -3.505 2.977 -14.231 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.056 2.861 -11.755 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -1.956 5.359 -12.613 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.632 5.384 -12.102 1.00 1.31 H new ATOM 0 HG LEU A 83 -2.211 6.297 -10.373 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -2.881 4.892 -8.471 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -4.200 5.099 -9.648 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -3.286 3.573 -9.595 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -0.529 4.930 -9.208 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -0.798 3.615 -10.377 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -0.124 5.168 -10.925 1.00 1.26 H new ATOM 1351 N PRO A 84 -4.337 1.779 -11.283 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.636 1.194 -10.989 1.00 1.29 C ATOM 1353 C PRO A 84 -6.400 1.941 -9.903 1.00 1.09 C ATOM 1354 O PRO A 84 -5.827 2.409 -8.920 1.00 1.15 O ATOM 1355 CB PRO A 84 -5.318 -0.228 -10.526 1.00 1.58 C ATOM 1356 CG PRO A 84 -3.840 -0.407 -10.671 1.00 1.75 C ATOM 1357 CD PRO A 84 -3.244 0.973 -10.746 1.00 1.64 C ATOM 0 HA PRO A 84 -6.282 1.235 -11.866 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -5.626 -0.376 -9.491 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -5.857 -0.960 -11.127 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -3.432 -0.960 -9.825 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -3.605 -0.979 -11.568 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -2.926 1.328 -9.766 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -2.368 0.999 -11.394 1.00 1.64 H new ATOM 1365 N SER A 85 -7.703 2.022 -10.076 1.00 0.99 N ATOM 1366 CA SER A 85 -8.554 2.675 -9.104 1.00 0.88 C ATOM 1367 C SER A 85 -9.127 1.604 -8.198 1.00 0.63 C ATOM 1368 O SER A 85 -9.788 0.679 -8.673 1.00 0.82 O ATOM 1369 CB SER A 85 -9.655 3.464 -9.815 1.00 1.23 C ATOM 1370 OG SER A 85 -10.270 2.685 -10.828 1.00 1.43 O ATOM 0 H SER A 85 -8.197 1.642 -10.884 1.00 0.99 H new ATOM 0 HA SER A 85 -7.987 3.389 -8.506 1.00 0.88 H new ATOM 0 HB2 SER A 85 -10.405 3.781 -9.090 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.233 4.368 -10.253 1.00 1.23 H new ATOM 0 HG SER A 85 -10.346 1.756 -10.525 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.864 1.697 -6.908 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.350 0.701 -5.975 1.00 0.64 C ATOM 1378 C PHE A 86 -9.568 1.339 -4.619 1.00 0.57 C ATOM 1379 O PHE A 86 -9.187 2.491 -4.410 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.352 -0.448 -5.882 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.111 -0.121 -5.114 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.042 0.490 -5.728 1.00 1.41 C ATOM 1383 CD2 PHE A 86 -7.033 -0.415 -3.773 1.00 1.30 C ATOM 1384 CE1 PHE A 86 -4.903 0.802 -5.010 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.912 -0.103 -3.047 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.842 0.500 -3.657 1.00 0.75 C ATOM 0 H PHE A 86 -8.319 2.448 -6.485 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.301 0.302 -6.326 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.841 -1.302 -5.414 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.072 -0.754 -6.890 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.093 0.728 -6.780 1.00 1.41 H new ATOM 0 HD2 PHE A 86 -7.866 -0.898 -3.285 1.00 1.30 H new ATOM 0 HE1 PHE A 86 -4.066 1.278 -5.499 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.872 -0.333 -1.992 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.956 0.739 -3.087 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.199 0.623 -3.701 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.468 1.171 -2.388 1.00 0.57 C ATOM 1398 C ARG A 87 -10.013 0.201 -1.298 1.00 0.57 C ATOM 1399 O ARG A 87 -10.646 -0.828 -1.086 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.975 1.456 -2.211 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.591 2.430 -3.214 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.884 1.800 -4.567 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.844 0.699 -4.488 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.250 0.006 -5.550 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.024 0.481 -6.764 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.098 -1.003 -5.411 1.00 2.41 N ATOM 0 H ARG A 87 -10.531 -0.331 -3.843 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.913 2.105 -2.299 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.514 0.511 -2.274 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -12.136 1.848 -1.207 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -13.517 2.829 -2.800 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.914 3.273 -3.353 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.270 2.564 -5.242 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -11.953 1.433 -5.000 1.00 1.24 H new ATOM 0 HE ARG A 87 -14.221 0.450 -3.574 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.542 1.372 -6.881 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.332 -0.044 -7.583 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.445 -1.254 -4.485 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -15.404 -1.529 -6.230 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.938 0.542 -0.589 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.452 -0.299 0.503 1.00 0.54 C ATOM 1422 C ILE A 88 -8.997 0.214 1.811 1.00 0.59 C ATOM 1423 O ILE A 88 -8.703 1.338 2.220 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.917 -0.384 0.596 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.276 0.936 0.165 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.407 -1.575 -0.212 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.777 0.975 0.367 1.00 0.74 C ATOM 0 H ILE A 88 -8.391 1.388 -0.749 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.806 -1.308 0.291 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.627 -0.549 1.634 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.497 1.111 -0.888 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.731 1.752 0.726 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.321 -1.626 -0.139 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.840 -2.494 0.182 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.696 -1.456 -1.256 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.391 1.940 0.040 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.548 0.832 1.423 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.311 0.181 -0.216 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.819 -0.587 2.457 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.422 -0.168 3.698 1.00 0.74 C ATOM 1441 C LYS A 89 -10.553 -1.344 4.640 1.00 0.85 C ATOM 1442 O LYS A 89 -11.204 -2.335 4.317 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.802 0.495 3.432 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.894 -0.447 2.935 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.273 0.206 2.918 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.019 0.051 4.243 1.00 1.89 C ATOM 1447 NZ LYS A 89 -14.708 1.135 5.209 1.00 2.46 N ATOM 0 H LYS A 89 -10.081 -1.522 2.145 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.778 0.574 4.171 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.144 0.966 4.354 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -11.669 1.290 2.698 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.645 -0.787 1.930 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.923 -1.331 3.572 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.165 1.266 2.689 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.868 -0.234 2.118 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -16.092 0.038 4.051 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.763 -0.911 4.688 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -15.475 1.208 5.907 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -13.815 0.920 5.697 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -14.616 2.037 4.700 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.938 -1.255 5.824 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.020 -2.314 6.812 1.00 1.30 C ATOM 1463 C PRO A 90 -11.475 -2.486 7.217 1.00 1.47 C ATOM 1464 O PRO A 90 -12.017 -1.699 7.999 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.156 -1.815 7.978 1.00 1.59 C ATOM 1466 CG PRO A 90 -8.317 -0.727 7.394 1.00 1.77 C ATOM 1467 CD PRO A 90 -9.135 -0.122 6.291 1.00 1.29 C ATOM 0 HA PRO A 90 -9.672 -3.284 6.457 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.773 -1.443 8.796 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.538 -2.616 8.384 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -8.065 0.019 8.148 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -7.376 -1.122 7.011 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -9.760 0.695 6.652 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -8.507 0.283 5.497 1.00 1.29 H new ATOM 1475 N LYS A 91 -12.110 -3.474 6.597 1.00 1.40 N ATOM 1476 CA LYS A 91 -13.528 -3.760 6.788 1.00 1.72 C ATOM 1477 C LYS A 91 -13.948 -3.720 8.261 1.00 2.02 C ATOM 1478 O LYS A 91 -15.012 -3.198 8.596 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.884 -5.112 6.167 1.00 1.95 C ATOM 1480 CG LYS A 91 -15.379 -5.377 6.163 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.709 -6.778 5.669 1.00 2.94 C ATOM 1482 CE LYS A 91 -17.193 -6.954 5.412 1.00 3.58 C ATOM 1483 NZ LYS A 91 -17.529 -8.363 5.065 1.00 4.13 N ATOM 0 H LYS A 91 -11.651 -4.106 5.941 1.00 1.40 H new ATOM 0 HA LYS A 91 -14.083 -2.970 6.281 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.510 -5.148 5.144 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -13.380 -5.905 6.719 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.773 -5.246 7.171 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -15.876 -4.643 5.529 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -15.156 -6.979 4.752 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.379 -7.510 6.407 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -17.754 -6.654 6.297 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -17.502 -6.296 4.600 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -18.552 -8.444 4.896 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -17.013 -8.641 4.206 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.257 -8.988 5.850 1.00 4.13 H new ATOM 1497 N ASP A 92 -13.093 -4.232 9.134 1.00 2.34 N ATOM 1498 CA ASP A 92 -13.346 -4.221 10.565 1.00 2.92 C ATOM 1499 C ASP A 92 -12.086 -3.806 11.297 1.00 2.79 C ATOM 1500 O ASP A 92 -11.047 -3.573 10.675 1.00 3.27 O ATOM 1501 CB ASP A 92 -13.806 -5.598 11.054 1.00 3.81 C ATOM 1502 CG ASP A 92 -15.301 -5.788 10.951 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -16.053 -4.902 11.411 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -15.732 -6.833 10.425 1.00 5.11 O ATOM 0 H ASP A 92 -12.208 -4.665 8.871 1.00 2.34 H new ATOM 0 HA ASP A 92 -14.143 -3.506 10.771 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -13.305 -6.371 10.471 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -13.498 -5.731 12.091 1.00 3.81 H new ATOM 1509 N PHE A 93 -12.163 -3.719 12.613 1.00 2.71 N ATOM 1510 CA PHE A 93 -10.998 -3.342 13.404 1.00 2.95 C ATOM 1511 C PHE A 93 -10.087 -4.558 13.566 1.00 3.05 C ATOM 1512 O PHE A 93 -10.552 -5.651 13.887 1.00 3.30 O ATOM 1513 CB PHE A 93 -11.402 -2.748 14.776 1.00 3.27 C ATOM 1514 CG PHE A 93 -11.811 -3.751 15.830 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -12.874 -4.621 15.623 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -11.139 -3.804 17.043 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -13.249 -5.525 16.599 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -11.509 -4.708 18.018 1.00 5.30 C ATOM 1519 CZ PHE A 93 -12.567 -5.570 17.798 1.00 5.69 C ATOM 0 H PHE A 93 -13.008 -3.901 13.154 1.00 2.71 H new ATOM 0 HA PHE A 93 -10.455 -2.557 12.878 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -10.564 -2.166 15.160 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -12.228 -2.054 14.622 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -13.414 -4.591 14.688 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -10.316 -3.129 17.226 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -14.076 -6.197 16.423 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -10.971 -4.742 18.954 1.00 5.30 H new ATOM 0 HZ PHE A 93 -12.859 -6.276 18.561 1.00 5.69 H new ATOM 1529 N GLU A 94 -8.799 -4.379 13.319 1.00 3.44 N ATOM 1530 CA GLU A 94 -7.845 -5.463 13.421 1.00 3.96 C ATOM 1531 C GLU A 94 -7.044 -5.348 14.708 1.00 3.75 C ATOM 1532 O GLU A 94 -6.882 -6.318 15.439 1.00 4.15 O ATOM 1533 CB GLU A 94 -6.917 -5.483 12.195 1.00 4.82 C ATOM 1534 CG GLU A 94 -5.984 -4.282 12.050 1.00 5.73 C ATOM 1535 CD GLU A 94 -6.698 -2.945 11.894 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -7.198 -2.405 12.913 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -6.774 -2.442 10.760 1.00 7.20 O ATOM 0 H GLU A 94 -8.392 -3.485 13.045 1.00 3.44 H new ATOM 0 HA GLU A 94 -8.392 -6.405 13.446 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -6.311 -6.388 12.236 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -7.532 -5.552 11.298 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -5.335 -4.234 12.925 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -5.341 -4.440 11.184 1.00 5.73 H new ATOM 1544 N THR A 95 -6.555 -4.155 14.982 1.00 3.56 N ATOM 1545 CA THR A 95 -5.785 -3.897 16.186 1.00 3.57 C ATOM 1546 C THR A 95 -6.384 -2.687 16.883 1.00 3.11 C ATOM 1547 O THR A 95 -5.686 -1.728 17.225 1.00 3.46 O ATOM 1548 CB THR A 95 -4.300 -3.669 15.834 1.00 4.37 C ATOM 1549 OG1 THR A 95 -3.846 -4.630 14.887 1.00 4.92 O ATOM 1550 CG2 THR A 95 -3.366 -3.760 17.023 1.00 4.79 C ATOM 0 H THR A 95 -6.678 -3.340 14.381 1.00 3.56 H new ATOM 0 HA THR A 95 -5.827 -4.755 16.856 1.00 3.57 H new ATOM 0 HB THR A 95 -4.269 -2.655 15.435 1.00 4.37 H new ATOM 0 HG1 THR A 95 -2.903 -4.464 14.679 1.00 4.92 H new ATOM 0 HG21 THR A 95 -2.341 -3.588 16.694 1.00 4.79 H new ATOM 0 HG22 THR A 95 -3.642 -3.006 17.761 1.00 4.79 H new ATOM 0 HG23 THR A 95 -3.442 -4.751 17.471 1.00 4.79 H new ATOM 1558 N SER A 96 -7.711 -2.738 17.062 1.00 2.83 N ATOM 1559 CA SER A 96 -8.464 -1.678 17.690 1.00 2.92 C ATOM 1560 C SER A 96 -8.156 -0.364 16.997 1.00 2.63 C ATOM 1561 O SER A 96 -7.918 0.652 17.647 1.00 2.95 O ATOM 1562 CB SER A 96 -8.129 -1.606 19.169 1.00 3.49 C ATOM 1563 OG SER A 96 -9.139 -0.937 19.903 1.00 4.05 O ATOM 0 H SER A 96 -8.284 -3.529 16.768 1.00 2.83 H new ATOM 0 HA SER A 96 -9.531 -1.881 17.597 1.00 2.92 H new ATOM 0 HB2 SER A 96 -8.001 -2.614 19.563 1.00 3.49 H new ATOM 0 HB3 SER A 96 -7.179 -1.088 19.302 1.00 3.49 H new ATOM 0 HG SER A 96 -8.891 -0.910 20.851 1.00 4.05 H new ATOM 1569 N GLU A 97 -8.242 -0.402 15.666 1.00 2.52 N ATOM 1570 CA GLU A 97 -8.049 0.778 14.814 1.00 2.71 C ATOM 1571 C GLU A 97 -6.657 1.427 14.928 1.00 2.41 C ATOM 1572 O GLU A 97 -6.256 2.186 14.057 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.112 1.770 15.225 1.00 3.26 C ATOM 1574 CG GLU A 97 -8.960 3.160 14.645 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.201 4.001 14.855 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -11.257 3.657 14.288 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -10.132 5.003 15.589 1.00 4.86 O ATOM 0 H GLU A 97 -8.448 -1.254 15.145 1.00 2.52 H new ATOM 0 HA GLU A 97 -8.126 0.469 13.771 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -10.085 1.377 14.932 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.113 1.846 16.312 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -8.105 3.654 15.107 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -8.748 3.087 13.578 1.00 3.93 H new ATOM 1584 N TYR A 98 -5.972 1.163 16.026 1.00 2.15 N ATOM 1585 CA TYR A 98 -4.662 1.740 16.320 1.00 1.95 C ATOM 1586 C TYR A 98 -3.749 1.771 15.102 1.00 1.56 C ATOM 1587 O TYR A 98 -3.228 2.820 14.721 1.00 1.45 O ATOM 1588 CB TYR A 98 -3.994 0.954 17.437 1.00 2.16 C ATOM 1589 CG TYR A 98 -2.958 1.759 18.167 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -1.657 1.859 17.693 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -3.295 2.451 19.311 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -0.717 2.627 18.352 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -2.363 3.218 19.982 1.00 4.46 C ATOM 1594 CZ TYR A 98 -1.073 3.305 19.498 1.00 4.66 C ATOM 1595 OH TYR A 98 -0.135 4.079 20.155 1.00 5.65 O ATOM 0 H TYR A 98 -6.311 0.533 16.753 1.00 2.15 H new ATOM 0 HA TYR A 98 -4.827 2.772 16.629 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -4.752 0.618 18.144 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.528 0.061 17.020 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -1.376 1.328 16.795 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -4.305 2.392 19.689 1.00 3.63 H new ATOM 0 HE1 TYR A 98 0.291 2.696 17.971 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -2.642 3.747 20.881 1.00 4.46 H new ATOM 0 HH TYR A 98 -0.545 4.491 20.944 1.00 5.65 H new ATOM 1605 N VAL A 99 -3.562 0.610 14.508 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.708 0.484 13.335 1.00 1.34 C ATOM 1607 C VAL A 99 -3.423 0.990 12.077 1.00 1.17 C ATOM 1608 O VAL A 99 -2.793 1.473 11.136 1.00 1.04 O ATOM 1609 CB VAL A 99 -2.215 -0.967 13.149 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -3.364 -1.906 12.855 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -1.171 -1.039 12.049 1.00 1.76 C ATOM 0 H VAL A 99 -3.989 -0.264 14.816 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.831 1.110 13.497 1.00 1.34 H new ATOM 0 HB VAL A 99 -1.756 -1.286 14.085 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -2.983 -2.919 12.729 1.00 1.91 H new ATOM 0 HG12 VAL A 99 -4.072 -1.885 13.683 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -3.866 -1.591 11.940 1.00 1.91 H new ATOM 0 HG21 VAL A 99 -0.836 -2.070 11.933 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -1.605 -0.691 11.112 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -0.322 -0.408 12.312 1.00 1.76 H new ATOM 1621 N ARG A 100 -4.741 0.900 12.082 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.550 1.356 10.972 1.00 1.42 C ATOM 1623 C ARG A 100 -5.450 2.877 10.817 1.00 1.31 C ATOM 1624 O ARG A 100 -5.327 3.397 9.706 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.996 0.943 11.211 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.937 1.368 10.114 1.00 2.37 C ATOM 1627 CD ARG A 100 -9.310 0.761 10.306 1.00 3.01 C ATOM 1628 NE ARG A 100 -10.046 1.369 11.404 1.00 3.48 N ATOM 1629 CZ ARG A 100 -11.104 0.793 11.962 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -11.488 -0.404 11.551 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -11.783 1.396 12.918 1.00 4.93 N ATOM 0 H ARG A 100 -5.278 0.509 12.856 1.00 1.36 H new ATOM 0 HA ARG A 100 -5.186 0.901 10.051 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -7.042 -0.141 11.317 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.335 1.371 12.154 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -8.016 2.455 10.100 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.534 1.065 9.148 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -9.883 0.871 9.385 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -9.207 -0.308 10.491 1.00 3.01 H new ATOM 0 HE ARG A 100 -9.737 2.274 11.759 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -10.972 -0.879 10.810 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -12.300 -0.853 11.975 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -11.498 2.321 13.241 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -12.593 0.938 13.335 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.497 3.583 11.945 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.406 5.035 11.949 1.00 1.43 C ATOM 1647 C LYS A 101 -4.019 5.466 11.488 1.00 1.27 C ATOM 1648 O LYS A 101 -3.861 6.484 10.808 1.00 1.40 O ATOM 1649 CB LYS A 101 -5.696 5.580 13.341 1.00 1.68 C ATOM 1650 CG LYS A 101 -6.025 7.061 13.340 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.385 7.346 12.719 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.511 6.810 13.592 1.00 2.79 C ATOM 1653 NZ LYS A 101 -9.824 6.868 12.908 1.00 3.24 N ATOM 0 H LYS A 101 -5.598 3.167 12.871 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.149 5.439 11.261 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -6.530 5.028 13.775 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -4.831 5.406 13.981 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.009 7.436 14.363 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -5.255 7.602 12.790 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.507 8.420 12.582 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -7.439 6.890 11.730 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -8.293 5.779 13.871 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.558 7.387 14.516 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -10.379 6.022 13.149 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -10.338 7.718 13.215 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.678 6.905 11.879 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.022 4.661 11.837 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.648 4.920 11.444 1.00 1.11 C ATOM 1669 C ALA A 102 -1.540 4.944 9.922 1.00 0.99 C ATOM 1670 O ALA A 102 -1.018 5.896 9.348 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.725 3.863 12.029 1.00 1.22 C ATOM 0 H ALA A 102 -3.145 3.817 12.396 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.344 5.892 11.832 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.302 4.069 11.727 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -0.794 3.882 13.117 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.020 2.879 11.664 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.036 3.881 9.277 1.00 0.97 N ATOM 1678 CA TRP A 103 -1.995 3.772 7.815 1.00 1.01 C ATOM 1679 C TRP A 103 -2.538 5.030 7.134 1.00 0.93 C ATOM 1680 O TRP A 103 -1.939 5.525 6.185 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.751 2.526 7.309 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.907 1.280 7.336 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.608 0.500 8.419 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.213 0.706 6.226 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.771 -0.531 8.045 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.509 -0.421 6.693 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.127 1.040 4.879 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.283 -1.207 5.841 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.350 0.272 4.043 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.345 -0.838 4.516 1.00 0.98 C ATOM 0 H TRP A 103 -2.470 3.085 9.745 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.944 3.665 7.546 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.639 2.371 7.922 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.095 2.704 6.290 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.974 0.667 9.421 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.406 -1.255 8.664 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.665 1.893 4.493 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.822 -2.067 6.210 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.278 0.535 2.998 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.944 -1.420 3.831 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.648 5.557 7.624 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.218 6.766 7.043 1.00 1.12 C ATOM 1703 C LEU A 104 -3.283 7.950 7.269 1.00 1.10 C ATOM 1704 O LEU A 104 -2.895 8.637 6.325 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.590 7.062 7.634 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.751 6.401 6.906 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.696 4.878 7.040 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -8.063 6.952 7.422 1.00 2.27 C ATOM 0 H LEU A 104 -4.169 5.174 8.413 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.336 6.604 5.972 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.600 6.738 8.675 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.746 8.141 7.634 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.672 6.632 5.844 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -7.539 4.435 6.509 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -5.764 4.509 6.613 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -6.746 4.603 8.094 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -8.890 6.474 6.896 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -8.147 6.751 8.490 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -8.098 8.028 7.252 1.00 2.27 H new ATOM 1720 N ARG A 105 -2.978 8.202 8.538 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.121 9.322 8.929 1.00 1.18 C ATOM 1722 C ARG A 105 -0.796 9.281 8.171 1.00 1.08 C ATOM 1723 O ARG A 105 -0.325 10.303 7.683 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.856 9.305 10.434 1.00 1.38 C ATOM 1725 CG ARG A 105 -3.088 9.551 11.283 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.747 9.548 12.761 1.00 2.29 C ATOM 1727 NE ARG A 105 -1.884 10.670 13.143 1.00 2.86 N ATOM 1728 CZ ARG A 105 -1.495 10.904 14.399 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -1.586 9.932 15.302 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -0.763 11.979 14.679 1.00 4.52 N ATOM 0 H ARG A 105 -3.314 7.642 9.321 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.644 10.244 8.675 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.428 8.340 10.706 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.109 10.063 10.669 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -3.534 10.508 11.012 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.833 8.783 11.078 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -3.668 9.588 13.343 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -2.251 8.611 13.014 1.00 2.29 H new ATOM 0 HE ARG A 105 -1.564 11.305 12.412 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.950 9.018 15.033 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -1.292 10.100 16.264 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -0.499 12.624 13.934 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -0.466 12.158 15.638 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.212 8.097 8.052 1.00 0.95 N ATOM 1745 CA ASP A 106 1.047 7.926 7.332 1.00 0.99 C ATOM 1746 C ASP A 106 0.842 8.053 5.810 1.00 0.96 C ATOM 1747 O ASP A 106 1.799 8.033 5.039 1.00 1.17 O ATOM 1748 CB ASP A 106 1.657 6.571 7.691 1.00 1.09 C ATOM 1749 CG ASP A 106 3.171 6.601 7.739 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.726 7.515 8.386 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.815 5.694 7.180 1.00 1.76 O ATOM 0 H ASP A 106 -0.590 7.236 8.446 1.00 0.95 H new ATOM 0 HA ASP A 106 1.734 8.718 7.631 1.00 0.99 H new ATOM 0 HB2 ASP A 106 1.274 6.251 8.660 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.336 5.829 6.960 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.410 8.232 5.392 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.742 8.401 3.977 1.00 1.04 C ATOM 1758 C ILE A 107 -0.964 9.881 3.684 1.00 1.23 C ATOM 1759 O ILE A 107 -0.531 10.400 2.650 1.00 1.43 O ATOM 1760 CB ILE A 107 -1.999 7.571 3.575 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.609 6.395 2.681 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.039 8.425 2.861 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -0.581 5.460 3.296 1.00 1.45 C ATOM 0 H ILE A 107 -1.216 8.264 6.017 1.00 0.92 H new ATOM 0 HA ILE A 107 0.092 8.030 3.382 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.439 7.196 4.499 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.505 5.823 2.440 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.215 6.782 1.741 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.898 7.808 2.598 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.360 9.233 3.518 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.604 8.846 1.954 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.359 4.653 2.598 1.00 1.45 H new ATOM 0 HD12 ILE A 107 0.332 6.015 3.511 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -0.978 5.041 4.221 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.625 10.553 4.622 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.907 11.975 4.520 1.00 1.52 C ATOM 1777 C ALA A 108 -0.611 12.775 4.644 1.00 1.59 C ATOM 1778 O ALA A 108 -0.559 13.960 4.316 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.899 12.364 5.605 1.00 1.62 C ATOM 0 H ALA A 108 -1.980 10.122 5.476 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.345 12.199 3.548 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.116 13.430 5.535 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.821 11.797 5.475 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.473 12.144 6.584 1.00 1.62 H new ATOM 1785 N GLU A 109 0.439 12.091 5.099 1.00 1.39 N ATOM 1786 CA GLU A 109 1.762 12.676 5.264 1.00 1.50 C ATOM 1787 C GLU A 109 2.799 11.556 5.264 1.00 1.43 C ATOM 1788 O GLU A 109 3.238 11.068 6.314 1.00 1.70 O ATOM 1789 CB GLU A 109 1.849 13.513 6.541 1.00 1.69 C ATOM 1790 CG GLU A 109 1.167 12.889 7.736 1.00 1.73 C ATOM 1791 CD GLU A 109 1.376 13.703 8.983 1.00 2.07 C ATOM 1792 OE1 GLU A 109 0.848 14.826 9.056 1.00 2.40 O ATOM 1793 OE2 GLU A 109 2.087 13.228 9.887 1.00 2.56 O ATOM 0 H GLU A 109 0.391 11.107 5.365 1.00 1.39 H new ATOM 0 HA GLU A 109 1.960 13.353 4.433 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.899 13.680 6.782 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.405 14.491 6.353 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.099 12.795 7.538 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.553 11.881 7.890 1.00 1.73 H new ATOM 1800 N GLU A 110 3.146 11.138 4.050 1.00 1.49 N ATOM 1801 CA GLU A 110 4.093 10.055 3.816 1.00 1.63 C ATOM 1802 C GLU A 110 5.468 10.368 4.377 1.00 1.78 C ATOM 1803 O GLU A 110 5.892 11.521 4.356 1.00 2.20 O ATOM 1804 CB GLU A 110 4.229 9.802 2.310 1.00 2.09 C ATOM 1805 CG GLU A 110 4.650 11.052 1.530 1.00 2.83 C ATOM 1806 CD GLU A 110 5.064 10.782 0.098 1.00 3.38 C ATOM 1807 OE1 GLU A 110 6.194 10.301 -0.124 1.00 3.86 O ATOM 1808 OE2 GLU A 110 4.260 11.070 -0.809 1.00 3.86 O ATOM 0 H GLU A 110 2.773 11.547 3.193 1.00 1.49 H new ATOM 0 HA GLU A 110 3.705 9.173 4.325 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.962 9.013 2.144 1.00 2.09 H new ATOM 0 HB3 GLU A 110 3.278 9.440 1.920 1.00 2.09 H new ATOM 0 HG2 GLU A 110 3.823 11.762 1.529 1.00 2.83 H new ATOM 0 HG3 GLU A 110 5.479 11.530 2.052 1.00 2.83 H new ATOM 1815 N GLN A 111 6.138 9.303 4.838 1.00 1.93 N ATOM 1816 CA GLN A 111 7.497 9.323 5.397 1.00 2.44 C ATOM 1817 C GLN A 111 7.937 10.706 5.857 1.00 2.84 C ATOM 1818 O GLN A 111 8.367 11.520 5.047 1.00 3.22 O ATOM 1819 CB GLN A 111 8.460 8.797 4.335 1.00 2.97 C ATOM 1820 CG GLN A 111 9.819 8.367 4.865 1.00 3.66 C ATOM 1821 CD GLN A 111 10.731 7.818 3.778 1.00 4.54 C ATOM 1822 OE1 GLN A 111 11.841 7.358 4.054 1.00 5.12 O ATOM 1823 NE2 GLN A 111 10.275 7.866 2.532 1.00 5.02 N ATOM 0 H GLN A 111 5.732 8.367 4.832 1.00 1.93 H new ATOM 0 HA GLN A 111 7.503 8.691 6.285 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.996 7.948 3.832 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.607 9.572 3.582 1.00 2.97 H new ATOM 0 HG2 GLN A 111 10.303 9.219 5.343 1.00 3.66 H new ATOM 0 HG3 GLN A 111 9.680 7.607 5.634 1.00 3.66 H new ATOM 0 HE21 GLN A 111 9.351 8.254 2.342 1.00 5.02 H new ATOM 0 HE22 GLN A 111 10.849 7.515 1.765 1.00 5.02 H new