USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 654 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 79 GLN : amide:sc= -3.35! X(o=-13!,f=-12) USER MOD Set 1.2: A 100 ASN : amide:sc= -9.3! C(o=-13!,f=-17!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -177:sc= -1.83! (180deg=-1.81!) USER MOD Set 2.2: A 65 HIS : no HD1:sc= -9.42! C(o=-11!,f=-12!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.00587 USER MOD Single : A 29 CYS SG : rot 96:sc= 0.95 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0556 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 21:sc= 0.737 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.036) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -170:sc= -0.477 (180deg=-0.802) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.644 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -149:sc= 0.0213 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.68 K(o=0.68,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.9) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -164:sc= -0.0565 (180deg=-0.115) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -34:sc= 0.565 USER MOD Single : A 104 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.22) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASP A 27 64.989 -0.204 -14.301 1.00 0.00 N ATOM 58 CA ASP A 27 66.429 -0.007 -14.140 1.00 0.00 C ATOM 59 C ASP A 27 66.845 -0.401 -12.711 1.00 0.00 C ATOM 60 O ASP A 27 66.706 0.369 -11.770 1.00 0.00 O ATOM 61 CB ASP A 27 66.784 1.481 -14.393 1.00 0.00 C ATOM 62 CG ASP A 27 67.225 1.811 -15.838 1.00 0.00 C ATOM 63 OD1 ASP A 27 67.536 0.902 -16.608 1.00 0.00 O ATOM 64 OD2 ASP A 27 67.266 2.993 -16.174 1.00 0.00 O ATOM 0 HA ASP A 27 66.961 -0.631 -14.858 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.917 2.093 -14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.583 1.769 -13.710 1.00 0.00 H new ATOM 69 N CYS A 28 67.388 -1.636 -12.633 1.00 0.00 N ATOM 70 CA CYS A 28 67.855 -2.212 -11.377 1.00 0.00 C ATOM 71 C CYS A 28 69.249 -2.838 -11.571 1.00 0.00 C ATOM 72 O CYS A 28 69.611 -3.259 -12.661 1.00 0.00 O ATOM 73 CB CYS A 28 66.876 -3.303 -10.970 1.00 0.00 C ATOM 74 SG CYS A 28 66.524 -4.484 -12.293 1.00 0.00 S ATOM 0 H CYS A 28 67.509 -2.249 -13.440 1.00 0.00 H new ATOM 0 HA CYS A 28 67.917 -1.438 -10.612 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.279 -3.840 -10.111 1.00 0.00 H new ATOM 0 HB3 CYS A 28 65.943 -2.841 -10.648 1.00 0.00 H new ATOM 0 HG CYS A 28 65.685 -5.379 -11.863 1.00 0.00 H new ATOM 80 N CYS A 29 70.001 -2.852 -10.446 1.00 0.00 N ATOM 81 CA CYS A 29 71.382 -3.324 -10.446 1.00 0.00 C ATOM 82 C CYS A 29 71.702 -3.986 -9.110 1.00 0.00 C ATOM 83 O CYS A 29 71.134 -3.654 -8.086 1.00 0.00 O ATOM 84 CB CYS A 29 72.325 -2.138 -10.662 1.00 0.00 C ATOM 85 SG CYS A 29 72.668 -1.915 -12.420 1.00 0.00 S ATOM 0 H CYS A 29 69.665 -2.540 -9.535 1.00 0.00 H new ATOM 0 HA CYS A 29 71.513 -4.050 -11.249 1.00 0.00 H new ATOM 0 HB2 CYS A 29 71.878 -1.231 -10.255 1.00 0.00 H new ATOM 0 HB3 CYS A 29 73.257 -2.304 -10.122 1.00 0.00 H new ATOM 0 HG CYS A 29 71.859 -1.023 -12.910 1.00 0.00 H new ATOM 91 N ILE A 30 72.656 -4.936 -9.195 1.00 0.00 N ATOM 92 CA ILE A 30 73.085 -5.695 -8.028 1.00 0.00 C ATOM 93 C ILE A 30 74.401 -5.096 -7.521 1.00 0.00 C ATOM 94 O ILE A 30 75.344 -4.883 -8.273 1.00 0.00 O ATOM 95 CB ILE A 30 73.262 -7.170 -8.435 1.00 0.00 C ATOM 96 CG1 ILE A 30 71.931 -7.765 -8.919 1.00 0.00 C ATOM 97 CG2 ILE A 30 73.833 -8.009 -7.295 1.00 0.00 C ATOM 98 CD1 ILE A 30 71.876 -7.967 -10.431 1.00 0.00 C ATOM 0 H ILE A 30 73.135 -5.186 -10.060 1.00 0.00 H new ATOM 0 HA ILE A 30 72.346 -5.645 -7.229 1.00 0.00 H new ATOM 0 HB ILE A 30 73.978 -7.194 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.768 -8.723 -8.425 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.116 -7.108 -8.617 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.942 -9.043 -7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.807 -7.615 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.158 -7.969 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 30 70.910 -8.390 -10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.008 -7.008 -10.931 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.671 -8.648 -10.736 1.00 0.00 H new ATOM 110 N ILE A 31 74.392 -4.860 -6.198 1.00 0.00 N ATOM 111 CA ILE A 31 75.532 -4.293 -5.496 1.00 0.00 C ATOM 112 C ILE A 31 75.948 -5.270 -4.385 1.00 0.00 C ATOM 113 O ILE A 31 75.152 -6.045 -3.877 1.00 0.00 O ATOM 114 CB ILE A 31 75.099 -2.953 -4.895 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.822 -3.135 -4.076 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.891 -1.882 -5.979 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.792 -2.251 -2.825 1.00 0.00 C ATOM 0 H ILE A 31 73.593 -5.060 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 31 76.376 -4.133 -6.167 1.00 0.00 H new ATOM 0 HB ILE A 31 75.900 -2.606 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.959 -2.904 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.731 -4.180 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.584 -0.946 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.823 -1.728 -6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.117 -2.212 -6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.863 -2.421 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.638 -2.499 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.854 -1.203 -3.118 1.00 0.00 H new ATOM 129 N ARG A 32 77.239 -5.166 -4.049 1.00 0.00 N ATOM 130 CA ARG A 32 77.854 -6.007 -3.036 1.00 0.00 C ATOM 131 C ARG A 32 77.972 -5.154 -1.762 1.00 0.00 C ATOM 132 O ARG A 32 78.478 -4.051 -1.831 1.00 0.00 O ATOM 133 CB ARG A 32 79.215 -6.430 -3.624 1.00 0.00 C ATOM 134 CG ARG A 32 80.333 -6.518 -2.605 1.00 0.00 C ATOM 135 CD ARG A 32 81.672 -6.897 -3.203 1.00 0.00 C ATOM 136 NE ARG A 32 82.758 -6.411 -2.361 1.00 0.00 N ATOM 137 CZ ARG A 32 83.778 -7.194 -1.959 1.00 0.00 C ATOM 138 NH1 ARG A 32 83.626 -8.509 -1.853 1.00 0.00 N ATOM 139 NH2 ARG A 32 84.939 -6.626 -1.648 1.00 0.00 N ATOM 0 H ARG A 32 77.879 -4.496 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 32 77.294 -6.905 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 32 79.103 -7.400 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.500 -5.718 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 32 80.429 -5.557 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 32 80.063 -7.252 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 32 81.739 -7.980 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 32 81.763 -6.476 -4.204 1.00 0.00 H new ATOM 0 HE ARG A 32 82.745 -5.436 -2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 32 82.728 -8.938 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 32 84.407 -9.090 -1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 32 85.046 -5.614 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 32 85.723 -7.202 -1.342 1.00 0.00 H new ATOM 153 N VAL A 33 77.484 -5.697 -0.615 1.00 0.00 N ATOM 154 CA VAL A 33 77.477 -4.920 0.637 1.00 0.00 C ATOM 155 C VAL A 33 77.991 -5.743 1.840 1.00 0.00 C ATOM 156 O VAL A 33 77.484 -6.814 2.135 1.00 0.00 O ATOM 157 CB VAL A 33 76.078 -4.360 0.933 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.124 -3.095 1.810 1.00 0.00 C ATOM 159 CG2 VAL A 33 75.309 -4.079 -0.343 1.00 0.00 C ATOM 0 H VAL A 33 77.103 -6.640 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 33 78.165 -4.087 0.491 1.00 0.00 H new ATOM 0 HB VAL A 33 75.555 -5.135 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.109 -2.740 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.600 -3.329 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.695 -2.319 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.324 -3.684 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.853 -3.348 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 33 75.197 -5.002 -0.911 1.00 0.00 H new ATOM 169 N SER A 34 79.008 -5.165 2.522 1.00 0.00 N ATOM 170 CA SER A 34 79.570 -5.712 3.761 1.00 0.00 C ATOM 171 C SER A 34 79.337 -4.709 4.859 1.00 0.00 C ATOM 172 O SER A 34 79.020 -3.565 4.592 1.00 0.00 O ATOM 173 CB SER A 34 81.072 -5.913 3.613 1.00 0.00 C ATOM 174 OG SER A 34 81.707 -6.465 4.760 1.00 0.00 O ATOM 0 H SER A 34 79.458 -4.301 2.219 1.00 0.00 H new ATOM 0 HA SER A 34 79.097 -6.668 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.256 -6.567 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.534 -4.953 3.384 1.00 0.00 H new ATOM 0 HG SER A 34 82.666 -6.565 4.587 1.00 0.00 H new ATOM 180 N LEU A 35 79.511 -5.191 6.099 1.00 0.00 N ATOM 181 CA LEU A 35 79.314 -4.329 7.252 1.00 0.00 C ATOM 182 C LEU A 35 80.659 -3.964 7.863 1.00 0.00 C ATOM 183 O LEU A 35 81.642 -4.685 7.748 1.00 0.00 O ATOM 184 CB LEU A 35 78.420 -5.063 8.245 1.00 0.00 C ATOM 185 CG LEU A 35 76.950 -4.683 8.077 1.00 0.00 C ATOM 186 CD1 LEU A 35 76.502 -4.788 6.614 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.118 -5.546 9.009 1.00 0.00 C ATOM 0 H LEU A 35 79.781 -6.150 6.317 1.00 0.00 H new ATOM 0 HA LEU A 35 78.830 -3.396 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 35 78.535 -6.139 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 35 78.741 -4.833 9.261 1.00 0.00 H new ATOM 0 HG LEU A 35 76.806 -3.637 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 35 75.451 -4.510 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 35 77.102 -4.116 6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 76.634 -5.812 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.065 -5.287 8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 35 76.261 -6.597 8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.430 -5.375 10.039 1.00 0.00 H new ATOM 199 N ASP A 36 80.616 -2.781 8.513 1.00 0.00 N ATOM 200 CA ASP A 36 81.803 -2.208 9.130 1.00 0.00 C ATOM 201 C ASP A 36 81.881 -2.595 10.607 1.00 0.00 C ATOM 202 O ASP A 36 81.896 -1.771 11.513 1.00 0.00 O ATOM 203 CB ASP A 36 81.719 -0.699 9.006 1.00 0.00 C ATOM 204 CG ASP A 36 83.115 -0.058 9.126 1.00 0.00 C ATOM 205 OD1 ASP A 36 83.638 0.037 10.237 1.00 0.00 O ATOM 206 OD2 ASP A 36 83.663 0.338 8.099 1.00 0.00 O ATOM 0 H ASP A 36 79.772 -2.217 8.617 1.00 0.00 H new ATOM 0 HA ASP A 36 82.694 -2.587 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.274 -0.433 8.047 1.00 0.00 H new ATOM 0 HB3 ASP A 36 81.065 -0.302 9.782 1.00 0.00 H new ATOM 291 N TYR A 43 79.742 -10.549 3.858 1.00 0.00 N ATOM 292 CA TYR A 43 79.524 -9.870 2.580 1.00 0.00 C ATOM 293 C TYR A 43 78.324 -10.508 1.838 1.00 0.00 C ATOM 294 O TYR A 43 78.357 -11.680 1.482 1.00 0.00 O ATOM 295 CB TYR A 43 80.808 -9.947 1.706 1.00 0.00 C ATOM 296 CG TYR A 43 81.310 -8.606 1.265 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.451 -7.698 0.664 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.636 -8.241 1.493 1.00 0.00 C ATOM 299 CE1 TYR A 43 80.901 -6.423 0.348 1.00 0.00 C ATOM 300 CE2 TYR A 43 83.093 -6.973 1.150 1.00 0.00 C ATOM 301 CZ TYR A 43 82.216 -6.053 0.581 1.00 0.00 C ATOM 302 OH TYR A 43 82.611 -4.775 0.234 1.00 0.00 O ATOM 0 HA TYR A 43 79.298 -8.821 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 43 81.592 -10.453 2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 43 80.604 -10.557 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.433 -7.982 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 43 83.316 -8.951 1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 43 80.216 -5.709 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.124 -6.703 1.324 1.00 0.00 H new ATOM 0 HH TYR A 43 83.558 -4.654 0.455 1.00 0.00 H new ATOM 312 N LYS A 44 77.279 -9.686 1.617 1.00 0.00 N ATOM 313 CA LYS A 44 76.080 -10.156 0.927 1.00 0.00 C ATOM 314 C LYS A 44 75.622 -9.070 -0.056 1.00 0.00 C ATOM 315 O LYS A 44 75.853 -7.889 0.151 1.00 0.00 O ATOM 316 CB LYS A 44 75.013 -10.439 1.987 1.00 0.00 C ATOM 317 CG LYS A 44 73.611 -10.776 1.469 1.00 0.00 C ATOM 318 CD LYS A 44 73.481 -12.260 1.152 1.00 0.00 C ATOM 319 CE LYS A 44 73.779 -12.597 -0.308 1.00 0.00 C ATOM 320 NZ LYS A 44 73.380 -13.970 -0.564 1.00 0.00 N ATOM 0 H LYS A 44 77.248 -8.708 1.905 1.00 0.00 H new ATOM 0 HA LYS A 44 76.269 -11.068 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 44 75.357 -11.268 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 44 74.937 -9.567 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 44 72.868 -10.495 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 44 73.401 -10.191 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 44 74.161 -12.822 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 44 72.470 -12.588 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 44 73.240 -11.918 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 44 74.841 -12.468 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 73.579 -14.210 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 73.913 -14.609 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 72.362 -14.076 -0.379 1.00 0.00 H new ATOM 334 N SER A 45 74.965 -9.552 -1.133 1.00 0.00 N ATOM 335 CA SER A 45 74.505 -8.692 -2.214 1.00 0.00 C ATOM 336 C SER A 45 72.997 -8.414 -2.067 1.00 0.00 C ATOM 337 O SER A 45 72.259 -9.186 -1.468 1.00 0.00 O ATOM 338 CB SER A 45 74.790 -9.431 -3.523 1.00 0.00 C ATOM 339 OG SER A 45 74.799 -8.543 -4.625 1.00 0.00 O ATOM 0 H SER A 45 74.747 -10.540 -1.265 1.00 0.00 H new ATOM 0 HA SER A 45 75.018 -7.731 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 45 75.752 -9.938 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 45 74.035 -10.201 -3.680 1.00 0.00 H new ATOM 0 HG SER A 45 74.947 -7.628 -4.307 1.00 0.00 H new ATOM 345 N ILE A 46 72.603 -7.261 -2.650 1.00 0.00 N ATOM 346 CA ILE A 46 71.221 -6.793 -2.600 1.00 0.00 C ATOM 347 C ILE A 46 70.913 -6.099 -3.940 1.00 0.00 C ATOM 348 O ILE A 46 71.816 -5.755 -4.692 1.00 0.00 O ATOM 349 CB ILE A 46 71.041 -5.817 -1.418 1.00 0.00 C ATOM 350 CG1 ILE A 46 72.016 -4.648 -1.497 1.00 0.00 C ATOM 351 CG2 ILE A 46 71.177 -6.503 -0.047 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.547 -3.397 -0.752 1.00 0.00 C ATOM 0 H ILE A 46 73.234 -6.643 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 46 70.533 -7.625 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 46 70.022 -5.441 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.977 -4.962 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.180 -4.395 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 46 71.041 -5.766 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 46 70.419 -7.281 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 46 72.168 -6.949 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.294 -2.610 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.601 -3.056 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.411 -3.632 0.304 1.00 0.00 H new ATOM 364 N LEU A 47 69.596 -5.911 -4.183 1.00 0.00 N ATOM 365 CA LEU A 47 69.152 -5.271 -5.415 1.00 0.00 C ATOM 366 C LEU A 47 68.805 -3.794 -5.141 1.00 0.00 C ATOM 367 O LEU A 47 67.963 -3.471 -4.318 1.00 0.00 O ATOM 368 CB LEU A 47 67.930 -6.036 -5.946 1.00 0.00 C ATOM 369 CG LEU A 47 67.620 -5.763 -7.426 1.00 0.00 C ATOM 370 CD1 LEU A 47 67.225 -4.302 -7.665 1.00 0.00 C ATOM 371 CD2 LEU A 47 68.786 -6.209 -8.316 1.00 0.00 C ATOM 0 H LEU A 47 68.846 -6.191 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 47 69.944 -5.294 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.096 -7.105 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.059 -5.770 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 47 66.752 -6.360 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 67.014 -4.151 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 47 66.336 -4.065 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 47 68.044 -3.649 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 47 68.545 -6.007 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 47 69.686 -5.661 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 47 68.957 -7.277 -8.184 1.00 0.00 H new ATOM 383 N VAL A 48 69.482 -2.934 -5.914 1.00 0.00 N ATOM 384 CA VAL A 48 69.307 -1.491 -5.880 1.00 0.00 C ATOM 385 C VAL A 48 68.500 -1.028 -7.101 1.00 0.00 C ATOM 386 O VAL A 48 68.841 -1.321 -8.238 1.00 0.00 O ATOM 387 CB VAL A 48 70.722 -0.907 -5.906 1.00 0.00 C ATOM 388 CG1 VAL A 48 70.763 0.582 -6.198 1.00 0.00 C ATOM 389 CG2 VAL A 48 71.360 -1.134 -4.544 1.00 0.00 C ATOM 0 H VAL A 48 70.180 -3.238 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 48 68.759 -1.164 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 48 71.256 -1.411 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 48 71.798 0.924 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 70.315 0.774 -7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.205 1.119 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 48 72.370 -0.724 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 48 70.766 -0.638 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 48 71.402 -2.203 -4.335 1.00 0.00 H new ATOM 399 N THR A 49 67.437 -0.260 -6.793 1.00 0.00 N ATOM 400 CA THR A 49 66.541 0.259 -7.825 1.00 0.00 C ATOM 401 C THR A 49 66.878 1.735 -8.067 1.00 0.00 C ATOM 402 O THR A 49 67.164 2.416 -7.136 1.00 0.00 O ATOM 403 CB THR A 49 65.101 0.073 -7.309 1.00 0.00 C ATOM 404 OG1 THR A 49 64.765 0.920 -6.222 1.00 0.00 O ATOM 405 CG2 THR A 49 64.825 -1.421 -7.014 1.00 0.00 C ATOM 0 H THR A 49 67.185 0.009 -5.842 1.00 0.00 H new ATOM 0 HA THR A 49 66.650 -0.265 -8.775 1.00 0.00 H new ATOM 0 HB THR A 49 64.433 0.391 -8.109 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.840 0.750 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.804 -1.537 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 49 64.953 -2.002 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.523 -1.777 -6.256 1.00 0.00 H new ATOM 413 N SER A 50 66.837 2.220 -9.331 1.00 0.00 N ATOM 414 CA SER A 50 67.074 3.649 -9.619 1.00 0.00 C ATOM 415 C SER A 50 66.745 4.647 -8.469 1.00 0.00 C ATOM 416 O SER A 50 67.613 5.370 -8.015 1.00 0.00 O ATOM 417 CB SER A 50 66.296 4.008 -10.890 1.00 0.00 C ATOM 418 OG SER A 50 65.044 3.354 -10.940 1.00 0.00 O ATOM 0 H SER A 50 66.645 1.650 -10.155 1.00 0.00 H new ATOM 0 HA SER A 50 68.151 3.763 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.145 5.087 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.884 3.735 -11.766 1.00 0.00 H new ATOM 0 HG SER A 50 64.575 3.607 -11.762 1.00 0.00 H new ATOM 424 N GLN A 51 65.475 4.634 -8.003 1.00 0.00 N ATOM 425 CA GLN A 51 65.039 5.613 -7.001 1.00 0.00 C ATOM 426 C GLN A 51 65.430 5.291 -5.553 1.00 0.00 C ATOM 427 O GLN A 51 65.277 6.127 -4.674 1.00 0.00 O ATOM 428 CB GLN A 51 63.513 5.742 -7.047 1.00 0.00 C ATOM 429 CG GLN A 51 63.070 7.209 -7.182 1.00 0.00 C ATOM 430 CD GLN A 51 62.365 7.469 -8.520 1.00 0.00 C ATOM 431 OE1 GLN A 51 61.317 8.102 -8.573 1.00 0.00 O ATOM 432 NE2 GLN A 51 62.990 6.935 -9.588 1.00 0.00 N ATOM 0 H GLN A 51 64.757 3.973 -8.299 1.00 0.00 H new ATOM 0 HA GLN A 51 65.555 6.535 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 51 63.124 5.166 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 51 63.084 5.314 -6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 51 62.399 7.463 -6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 51 63.939 7.861 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 51 63.862 6.420 -9.464 1.00 0.00 H new ATOM 0 HE22 GLN A 51 62.591 7.046 -10.520 1.00 0.00 H new ATOM 441 N ASP A 52 65.931 4.050 -5.367 1.00 0.00 N ATOM 442 CA ASP A 52 66.480 3.583 -4.102 1.00 0.00 C ATOM 443 C ASP A 52 67.305 4.715 -3.463 1.00 0.00 C ATOM 444 O ASP A 52 68.121 5.351 -4.117 1.00 0.00 O ATOM 445 CB ASP A 52 67.364 2.336 -4.326 1.00 0.00 C ATOM 446 CG ASP A 52 68.795 2.742 -4.678 1.00 0.00 C ATOM 447 OD1 ASP A 52 69.151 2.986 -5.829 1.00 0.00 O ATOM 448 OD2 ASP A 52 69.537 2.885 -3.734 1.00 0.00 O ATOM 0 H ASP A 52 65.960 3.348 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 52 65.665 3.305 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.367 1.720 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.946 1.727 -5.128 1.00 0.00 H new ATOM 453 N LYS A 53 67.052 4.920 -2.182 1.00 0.00 N ATOM 454 CA LYS A 53 67.755 5.982 -1.505 1.00 0.00 C ATOM 455 C LYS A 53 68.795 5.296 -0.626 1.00 0.00 C ATOM 456 O LYS A 53 68.735 4.095 -0.409 1.00 0.00 O ATOM 457 CB LYS A 53 66.692 6.795 -0.764 1.00 0.00 C ATOM 458 CG LYS A 53 65.401 6.967 -1.573 1.00 0.00 C ATOM 459 CD LYS A 53 64.358 7.752 -0.792 1.00 0.00 C ATOM 460 CE LYS A 53 62.937 7.420 -1.256 1.00 0.00 C ATOM 461 NZ LYS A 53 62.357 8.540 -1.974 1.00 0.00 N ATOM 0 H LYS A 53 66.393 4.388 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 53 68.293 6.686 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 53 66.460 6.304 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 53 67.097 7.778 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 53 65.621 7.482 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 53 65.001 5.988 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 53 64.455 7.530 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 53 64.540 8.820 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 53 62.955 6.540 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 53 62.316 7.173 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.394 8.295 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 62.321 9.371 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 62.940 8.758 -2.807 1.00 0.00 H new ATOM 475 N ALA A 54 69.744 6.109 -0.129 1.00 0.00 N ATOM 476 CA ALA A 54 70.635 5.630 0.926 1.00 0.00 C ATOM 477 C ALA A 54 69.890 4.850 2.050 1.00 0.00 C ATOM 478 O ALA A 54 70.221 3.700 2.293 1.00 0.00 O ATOM 479 CB ALA A 54 71.421 6.810 1.483 1.00 0.00 C ATOM 0 H ALA A 54 69.906 7.069 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 54 71.322 4.907 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 54 72.089 6.463 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 54 72.007 7.266 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.730 7.547 1.892 1.00 0.00 H new ATOM 485 N PRO A 55 68.857 5.481 2.702 1.00 0.00 N ATOM 486 CA PRO A 55 68.133 4.840 3.800 1.00 0.00 C ATOM 487 C PRO A 55 67.262 3.639 3.375 1.00 0.00 C ATOM 488 O PRO A 55 66.767 2.899 4.218 1.00 0.00 O ATOM 489 CB PRO A 55 67.248 5.964 4.370 1.00 0.00 C ATOM 490 CG PRO A 55 67.080 6.973 3.239 1.00 0.00 C ATOM 491 CD PRO A 55 68.341 6.809 2.402 1.00 0.00 C ATOM 0 HA PRO A 55 68.836 4.414 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.283 5.575 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.714 6.426 5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 55 66.184 6.769 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 55 66.986 7.989 3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 55 68.119 6.910 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 55 69.075 7.577 2.648 1.00 0.00 H new ATOM 499 N ALA A 56 67.130 3.478 2.037 1.00 0.00 N ATOM 500 CA ALA A 56 66.379 2.363 1.467 1.00 0.00 C ATOM 501 C ALA A 56 67.268 1.122 1.345 1.00 0.00 C ATOM 502 O ALA A 56 66.931 0.041 1.801 1.00 0.00 O ATOM 503 CB ALA A 56 65.861 2.732 0.076 1.00 0.00 C ATOM 0 H ALA A 56 67.536 4.109 1.346 1.00 0.00 H new ATOM 0 HA ALA A 56 65.541 2.148 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 56 65.303 1.893 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 56 65.208 3.601 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.703 2.965 -0.576 1.00 0.00 H new ATOM 509 N VAL A 57 68.432 1.350 0.708 1.00 0.00 N ATOM 510 CA VAL A 57 69.450 0.316 0.596 1.00 0.00 C ATOM 511 C VAL A 57 69.840 -0.252 1.952 1.00 0.00 C ATOM 512 O VAL A 57 70.120 -1.430 2.060 1.00 0.00 O ATOM 513 CB VAL A 57 70.678 0.894 -0.122 1.00 0.00 C ATOM 514 CG1 VAL A 57 72.016 0.250 0.256 1.00 0.00 C ATOM 515 CG2 VAL A 57 70.461 0.788 -1.622 1.00 0.00 C ATOM 0 H VAL A 57 68.680 2.237 0.270 1.00 0.00 H new ATOM 0 HA VAL A 57 69.037 -0.510 0.016 1.00 0.00 H new ATOM 0 HB VAL A 57 70.761 1.931 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.820 0.727 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.192 0.377 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 57 71.988 -0.813 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 57 71.327 1.195 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 57 70.330 -0.258 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.570 1.351 -1.901 1.00 0.00 H new ATOM 525 N ILE A 58 69.843 0.652 2.953 1.00 0.00 N ATOM 526 CA ILE A 58 70.172 0.249 4.308 1.00 0.00 C ATOM 527 C ILE A 58 69.102 -0.661 4.888 1.00 0.00 C ATOM 528 O ILE A 58 69.416 -1.560 5.640 1.00 0.00 O ATOM 529 CB ILE A 58 70.408 1.505 5.156 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.822 2.052 4.873 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.222 1.275 6.663 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.880 3.553 4.594 1.00 0.00 C ATOM 0 H ILE A 58 69.624 1.642 2.839 1.00 0.00 H new ATOM 0 HA ILE A 58 71.090 -0.339 4.307 1.00 0.00 H new ATOM 0 HB ILE A 58 69.649 2.231 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.461 1.830 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.238 1.520 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.405 2.207 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.203 0.939 6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 58 70.925 0.516 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.912 3.849 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 58 71.272 3.784 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.498 4.098 5.457 1.00 0.00 H new ATOM 544 N ARG A 59 67.843 -0.396 4.509 1.00 0.00 N ATOM 545 CA ARG A 59 66.759 -1.242 4.988 1.00 0.00 C ATOM 546 C ARG A 59 66.924 -2.692 4.491 1.00 0.00 C ATOM 547 O ARG A 59 66.682 -3.653 5.210 1.00 0.00 O ATOM 548 CB ARG A 59 65.452 -0.643 4.476 1.00 0.00 C ATOM 549 CG ARG A 59 64.214 -1.437 4.883 1.00 0.00 C ATOM 550 CD ARG A 59 63.304 -1.665 3.686 1.00 0.00 C ATOM 551 NE ARG A 59 62.064 -2.239 4.168 1.00 0.00 N ATOM 552 CZ ARG A 59 60.899 -1.848 3.628 1.00 0.00 C ATOM 553 NH1 ARG A 59 60.386 -0.668 3.958 1.00 0.00 N ATOM 554 NH2 ARG A 59 60.278 -2.643 2.766 1.00 0.00 N ATOM 0 H ARG A 59 67.564 0.369 3.895 1.00 0.00 H new ATOM 0 HA ARG A 59 66.764 -1.278 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.358 0.377 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.492 -0.581 3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.514 -2.396 5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.672 -0.901 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.113 -0.725 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.779 -2.333 2.968 1.00 0.00 H new ATOM 0 HE ARG A 59 62.076 -2.936 4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 59 60.877 -0.065 4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.501 -0.365 3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.686 -3.544 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.392 -2.353 2.351 1.00 0.00 H new ATOM 568 N LYS A 60 67.360 -2.766 3.220 1.00 0.00 N ATOM 569 CA LYS A 60 67.572 -4.049 2.579 1.00 0.00 C ATOM 570 C LYS A 60 68.761 -4.779 3.211 1.00 0.00 C ATOM 571 O LYS A 60 68.698 -5.949 3.558 1.00 0.00 O ATOM 572 CB LYS A 60 67.842 -3.788 1.098 1.00 0.00 C ATOM 573 CG LYS A 60 67.515 -5.015 0.245 1.00 0.00 C ATOM 574 CD LYS A 60 66.207 -4.850 -0.534 1.00 0.00 C ATOM 575 CE LYS A 60 66.408 -5.050 -2.030 1.00 0.00 C ATOM 576 NZ LYS A 60 65.126 -5.143 -2.704 1.00 0.00 N ATOM 0 H LYS A 60 67.566 -1.957 2.635 1.00 0.00 H new ATOM 0 HA LYS A 60 66.692 -4.680 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.245 -2.940 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.888 -3.516 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 60 68.331 -5.196 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 60 67.444 -5.893 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 60 65.473 -5.568 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 60 65.799 -3.856 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 60 66.983 -4.220 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 60 66.986 -5.957 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 65.279 -5.279 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 64.591 -5.950 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 64.588 -4.267 -2.549 1.00 0.00 H new ATOM 590 N ALA A 61 69.830 -3.968 3.333 1.00 0.00 N ATOM 591 CA ALA A 61 71.105 -4.403 3.862 1.00 0.00 C ATOM 592 C ALA A 61 70.988 -4.848 5.343 1.00 0.00 C ATOM 593 O ALA A 61 71.657 -5.755 5.820 1.00 0.00 O ATOM 594 CB ALA A 61 72.141 -3.279 3.685 1.00 0.00 C ATOM 0 H ALA A 61 69.816 -2.985 3.060 1.00 0.00 H new ATOM 0 HA ALA A 61 71.438 -5.278 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.102 -3.604 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.247 -3.045 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.809 -2.390 4.221 1.00 0.00 H new ATOM 600 N MET A 62 70.090 -4.153 6.045 1.00 0.00 N ATOM 601 CA MET A 62 69.894 -4.418 7.461 1.00 0.00 C ATOM 602 C MET A 62 69.170 -5.741 7.681 1.00 0.00 C ATOM 603 O MET A 62 69.639 -6.590 8.421 1.00 0.00 O ATOM 604 CB MET A 62 69.102 -3.276 8.083 1.00 0.00 C ATOM 605 CG MET A 62 70.014 -2.108 8.479 1.00 0.00 C ATOM 606 SD MET A 62 69.653 -1.600 10.158 1.00 0.00 S ATOM 607 CE MET A 62 68.002 -0.968 9.833 1.00 0.00 C ATOM 0 H MET A 62 69.499 -3.416 5.659 1.00 0.00 H new ATOM 0 HA MET A 62 70.871 -4.491 7.939 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.349 -2.927 7.376 1.00 0.00 H new ATOM 0 HB3 MET A 62 68.570 -3.638 8.963 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.059 -2.406 8.396 1.00 0.00 H new ATOM 0 HG3 MET A 62 69.866 -1.271 7.796 1.00 0.00 H new ATOM 0 HE1 MET A 62 67.639 -0.431 10.709 1.00 0.00 H new ATOM 0 HE2 MET A 62 68.033 -0.291 8.980 1.00 0.00 H new ATOM 0 HE3 MET A 62 67.331 -1.799 9.613 1.00 0.00 H new ATOM 617 N ASP A 63 68.023 -5.863 6.981 1.00 0.00 N ATOM 618 CA ASP A 63 67.249 -7.103 6.967 1.00 0.00 C ATOM 619 C ASP A 63 68.131 -8.334 6.646 1.00 0.00 C ATOM 620 O ASP A 63 67.940 -9.417 7.183 1.00 0.00 O ATOM 621 CB ASP A 63 66.133 -6.942 5.922 1.00 0.00 C ATOM 622 CG ASP A 63 65.226 -8.187 5.859 1.00 0.00 C ATOM 623 OD1 ASP A 63 64.255 -8.249 6.611 1.00 0.00 O ATOM 624 OD2 ASP A 63 65.507 -9.081 5.060 1.00 0.00 O ATOM 0 H ASP A 63 67.620 -5.112 6.421 1.00 0.00 H new ATOM 0 HA ASP A 63 66.828 -7.281 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.532 -6.066 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.575 -6.764 4.942 1.00 0.00 H new ATOM 629 N LYS A 64 69.106 -8.071 5.750 1.00 0.00 N ATOM 630 CA LYS A 64 70.062 -9.077 5.306 1.00 0.00 C ATOM 631 C LYS A 64 70.938 -9.573 6.476 1.00 0.00 C ATOM 632 O LYS A 64 71.238 -10.753 6.601 1.00 0.00 O ATOM 633 CB LYS A 64 70.876 -8.471 4.139 1.00 0.00 C ATOM 634 CG LYS A 64 72.379 -8.251 4.370 1.00 0.00 C ATOM 635 CD LYS A 64 72.942 -7.146 3.481 1.00 0.00 C ATOM 636 CE LYS A 64 74.415 -7.254 3.193 1.00 0.00 C ATOM 637 NZ LYS A 64 75.128 -6.037 3.543 1.00 0.00 N ATOM 0 H LYS A 64 69.242 -7.155 5.322 1.00 0.00 H new ATOM 0 HA LYS A 64 69.549 -9.968 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.759 -9.122 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 64 70.430 -7.511 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 64 72.551 -7.997 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 64 72.915 -9.180 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 64 72.400 -7.149 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 64 72.749 -6.184 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 64 74.833 -8.092 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 64 74.563 -7.469 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 76.130 -6.134 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.714 -5.232 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.051 -5.872 4.567 1.00 0.00 H new ATOM 651 N HIS A 65 71.329 -8.577 7.302 1.00 0.00 N ATOM 652 CA HIS A 65 72.282 -8.789 8.379 1.00 0.00 C ATOM 653 C HIS A 65 71.589 -8.994 9.724 1.00 0.00 C ATOM 654 O HIS A 65 72.257 -9.162 10.736 1.00 0.00 O ATOM 655 CB HIS A 65 73.229 -7.583 8.455 1.00 0.00 C ATOM 656 CG HIS A 65 74.451 -7.875 7.617 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.677 -7.349 6.395 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.539 -8.687 7.959 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.876 -7.840 6.025 1.00 0.00 C ATOM 660 NE2 HIS A 65 76.421 -8.646 6.940 1.00 0.00 N ATOM 0 H HIS A 65 70.988 -7.618 7.230 1.00 0.00 H new ATOM 0 HA HIS A 65 72.844 -9.698 8.163 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.728 -6.685 8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.516 -7.392 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.652 -9.247 8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 65 76.349 -7.605 5.083 1.00 0.00 H new ATOM 0 HE2 HIS A 65 77.317 -9.129 6.880 1.00 0.00 H new ATOM 668 N ASN A 66 70.236 -8.982 9.690 1.00 0.00 N ATOM 669 CA ASN A 66 69.462 -9.256 10.895 1.00 0.00 C ATOM 670 C ASN A 66 69.756 -8.219 12.006 1.00 0.00 C ATOM 671 O ASN A 66 69.853 -8.562 13.178 1.00 0.00 O ATOM 672 CB ASN A 66 69.757 -10.693 11.380 1.00 0.00 C ATOM 673 CG ASN A 66 69.609 -11.702 10.230 1.00 0.00 C ATOM 674 OD1 ASN A 66 70.579 -12.089 9.586 1.00 0.00 O ATOM 675 ND2 ASN A 66 68.344 -12.090 10.010 1.00 0.00 N ATOM 0 H ASN A 66 69.680 -8.789 8.857 1.00 0.00 H new ATOM 0 HA ASN A 66 68.402 -9.172 10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 66 70.767 -10.744 11.786 1.00 0.00 H new ATOM 0 HB3 ASN A 66 69.075 -10.955 12.189 1.00 0.00 H new ATOM 0 HD21 ASN A 66 68.136 -12.753 9.263 1.00 0.00 H new ATOM 0 HD22 ASN A 66 67.590 -11.722 10.590 1.00 0.00 H new ATOM 682 N LEU A 67 69.917 -6.951 11.556 1.00 0.00 N ATOM 683 CA LEU A 67 70.313 -5.856 12.448 1.00 0.00 C ATOM 684 C LEU A 67 69.177 -4.851 12.636 1.00 0.00 C ATOM 685 O LEU A 67 69.381 -3.645 12.723 1.00 0.00 O ATOM 686 CB LEU A 67 71.539 -5.150 11.863 1.00 0.00 C ATOM 687 CG LEU A 67 72.811 -5.965 12.089 1.00 0.00 C ATOM 688 CD1 LEU A 67 73.985 -5.331 11.361 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.126 -6.127 13.589 1.00 0.00 C ATOM 0 H LEU A 67 69.778 -6.671 10.585 1.00 0.00 H new ATOM 0 HA LEU A 67 70.552 -6.275 13.425 1.00 0.00 H new ATOM 0 HB2 LEU A 67 71.393 -4.989 10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.648 -4.167 12.322 1.00 0.00 H new ATOM 0 HG LEU A 67 72.641 -6.961 11.681 1.00 0.00 H new ATOM 0 HD11 LEU A 67 74.883 -5.924 11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.773 -5.294 10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 67 74.142 -4.319 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.038 -6.712 13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.264 -5.144 14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 67 72.299 -6.639 14.081 1.00 0.00 H new ATOM 701 N GLU A 68 67.973 -5.439 12.725 1.00 0.00 N ATOM 702 CA GLU A 68 66.759 -4.659 12.910 1.00 0.00 C ATOM 703 C GLU A 68 66.662 -3.968 14.274 1.00 0.00 C ATOM 704 O GLU A 68 65.766 -3.161 14.494 1.00 0.00 O ATOM 705 CB GLU A 68 65.580 -5.613 12.773 1.00 0.00 C ATOM 706 CG GLU A 68 65.452 -6.126 11.331 1.00 0.00 C ATOM 707 CD GLU A 68 64.048 -5.839 10.780 1.00 0.00 C ATOM 708 OE1 GLU A 68 63.689 -4.665 10.672 1.00 0.00 O ATOM 709 OE2 GLU A 68 63.327 -6.786 10.469 1.00 0.00 O ATOM 0 H GLU A 68 67.824 -6.447 12.671 1.00 0.00 H new ATOM 0 HA GLU A 68 66.762 -3.867 12.161 1.00 0.00 H new ATOM 0 HB2 GLU A 68 65.708 -6.456 13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 68 64.661 -5.105 13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.201 -5.647 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 68 65.649 -7.198 11.301 1.00 0.00 H new ATOM 716 N GLU A 69 67.630 -4.308 15.153 1.00 0.00 N ATOM 717 CA GLU A 69 67.779 -3.705 16.473 1.00 0.00 C ATOM 718 C GLU A 69 67.625 -2.163 16.480 1.00 0.00 C ATOM 719 O GLU A 69 67.221 -1.573 17.472 1.00 0.00 O ATOM 720 CB GLU A 69 69.160 -4.110 17.010 1.00 0.00 C ATOM 721 CG GLU A 69 70.347 -3.516 16.208 1.00 0.00 C ATOM 722 CD GLU A 69 71.189 -2.490 16.997 1.00 0.00 C ATOM 723 OE1 GLU A 69 71.252 -2.570 18.224 1.00 0.00 O ATOM 724 OE2 GLU A 69 71.786 -1.620 16.366 1.00 0.00 O ATOM 0 H GLU A 69 68.333 -5.019 14.952 1.00 0.00 H new ATOM 0 HA GLU A 69 66.974 -4.072 17.109 1.00 0.00 H new ATOM 0 HB2 GLU A 69 69.242 -3.792 18.049 1.00 0.00 H new ATOM 0 HB3 GLU A 69 69.237 -5.197 17.002 1.00 0.00 H new ATOM 0 HG2 GLU A 69 70.996 -4.330 15.883 1.00 0.00 H new ATOM 0 HG3 GLU A 69 69.961 -3.038 15.308 1.00 0.00 H new ATOM 731 N GLU A 70 67.965 -1.575 15.309 1.00 0.00 N ATOM 732 CA GLU A 70 67.889 -0.143 15.086 1.00 0.00 C ATOM 733 C GLU A 70 67.235 0.126 13.727 1.00 0.00 C ATOM 734 O GLU A 70 66.862 -0.773 12.985 1.00 0.00 O ATOM 735 CB GLU A 70 69.317 0.427 15.159 1.00 0.00 C ATOM 736 CG GLU A 70 69.780 0.617 16.612 1.00 0.00 C ATOM 737 CD GLU A 70 69.206 1.887 17.271 1.00 0.00 C ATOM 738 OE1 GLU A 70 68.121 2.332 16.896 1.00 0.00 O ATOM 739 OE2 GLU A 70 69.864 2.429 18.157 1.00 0.00 O ATOM 0 H GLU A 70 68.299 -2.098 14.499 1.00 0.00 H new ATOM 0 HA GLU A 70 67.277 0.345 15.845 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.004 -0.244 14.643 1.00 0.00 H new ATOM 0 HB3 GLU A 70 69.354 1.383 14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 70 69.484 -0.254 17.197 1.00 0.00 H new ATOM 0 HG3 GLU A 70 70.869 0.663 16.637 1.00 0.00 H new ATOM 746 N GLU A 71 67.121 1.450 13.487 1.00 0.00 N ATOM 747 CA GLU A 71 66.516 2.009 12.289 1.00 0.00 C ATOM 748 C GLU A 71 67.609 2.230 11.221 1.00 0.00 C ATOM 749 O GLU A 71 68.787 2.025 11.489 1.00 0.00 O ATOM 750 CB GLU A 71 65.834 3.330 12.705 1.00 0.00 C ATOM 751 CG GLU A 71 64.294 3.228 12.683 1.00 0.00 C ATOM 752 CD GLU A 71 63.642 4.461 12.021 1.00 0.00 C ATOM 753 OE1 GLU A 71 63.738 5.551 12.580 1.00 0.00 O ATOM 754 OE2 GLU A 71 63.051 4.316 10.949 1.00 0.00 O ATOM 0 H GLU A 71 67.456 2.160 14.139 1.00 0.00 H new ATOM 0 HA GLU A 71 65.774 1.341 11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.163 3.606 13.707 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.152 4.128 12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 71 63.998 2.328 12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 71 63.923 3.125 13.703 1.00 0.00 H new ATOM 761 N PRO A 72 67.177 2.647 9.987 1.00 0.00 N ATOM 762 CA PRO A 72 68.114 2.902 8.892 1.00 0.00 C ATOM 763 C PRO A 72 68.964 4.153 9.122 1.00 0.00 C ATOM 764 O PRO A 72 70.123 4.229 8.741 1.00 0.00 O ATOM 765 CB PRO A 72 67.208 3.191 7.680 1.00 0.00 C ATOM 766 CG PRO A 72 65.876 3.640 8.283 1.00 0.00 C ATOM 767 CD PRO A 72 65.788 2.890 9.606 1.00 0.00 C ATOM 0 HA PRO A 72 68.796 2.059 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.635 3.966 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 72 67.082 2.303 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.852 4.719 8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 72 65.040 3.392 7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.267 3.479 10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.238 1.955 9.496 1.00 0.00 H new ATOM 775 N GLU A 73 68.300 5.099 9.814 1.00 0.00 N ATOM 776 CA GLU A 73 68.879 6.375 10.206 1.00 0.00 C ATOM 777 C GLU A 73 70.192 6.216 10.990 1.00 0.00 C ATOM 778 O GLU A 73 71.037 7.101 10.997 1.00 0.00 O ATOM 779 CB GLU A 73 67.830 7.102 11.059 1.00 0.00 C ATOM 780 CG GLU A 73 66.591 7.499 10.237 1.00 0.00 C ATOM 781 CD GLU A 73 66.907 8.611 9.214 1.00 0.00 C ATOM 782 OE1 GLU A 73 67.723 9.485 9.512 1.00 0.00 O ATOM 783 OE2 GLU A 73 66.335 8.590 8.124 1.00 0.00 O ATOM 0 H GLU A 73 67.332 4.985 10.115 1.00 0.00 H new ATOM 0 HA GLU A 73 69.134 6.944 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 73 67.526 6.459 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 73 68.275 7.995 11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 73 66.208 6.623 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 73 65.803 7.838 10.910 1.00 0.00 H new ATOM 790 N ASP A 74 70.307 5.027 11.623 1.00 0.00 N ATOM 791 CA ASP A 74 71.491 4.705 12.401 1.00 0.00 C ATOM 792 C ASP A 74 72.568 4.017 11.543 1.00 0.00 C ATOM 793 O ASP A 74 73.344 3.228 12.057 1.00 0.00 O ATOM 794 CB ASP A 74 71.065 3.775 13.556 1.00 0.00 C ATOM 795 CG ASP A 74 71.937 3.954 14.817 1.00 0.00 C ATOM 796 OD1 ASP A 74 72.994 4.585 14.747 1.00 0.00 O ATOM 797 OD2 ASP A 74 71.541 3.462 15.871 1.00 0.00 O ATOM 0 H ASP A 74 69.598 4.294 11.603 1.00 0.00 H new ATOM 0 HA ASP A 74 71.927 5.627 12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 74 70.023 3.971 13.809 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.123 2.739 13.223 1.00 0.00 H new ATOM 802 N TYR A 75 72.570 4.326 10.229 1.00 0.00 N ATOM 803 CA TYR A 75 73.455 3.646 9.291 1.00 0.00 C ATOM 804 C TYR A 75 73.782 4.608 8.130 1.00 0.00 C ATOM 805 O TYR A 75 73.105 5.604 7.920 1.00 0.00 O ATOM 806 CB TYR A 75 72.795 2.344 8.796 1.00 0.00 C ATOM 807 CG TYR A 75 73.060 1.168 9.697 1.00 0.00 C ATOM 808 CD1 TYR A 75 74.252 0.467 9.578 1.00 0.00 C ATOM 809 CD2 TYR A 75 72.131 0.761 10.649 1.00 0.00 C ATOM 810 CE1 TYR A 75 74.524 -0.622 10.390 1.00 0.00 C ATOM 811 CE2 TYR A 75 72.395 -0.326 11.471 1.00 0.00 C ATOM 812 CZ TYR A 75 73.594 -1.017 11.347 1.00 0.00 C ATOM 813 OH TYR A 75 73.848 -2.081 12.187 1.00 0.00 O ATOM 0 H TYR A 75 71.971 5.036 9.808 1.00 0.00 H new ATOM 0 HA TYR A 75 74.389 3.368 9.779 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.719 2.497 8.715 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.160 2.116 7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 75 74.979 0.775 8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 75 71.197 1.295 10.749 1.00 0.00 H new ATOM 0 HE1 TYR A 75 75.453 -1.162 10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 75 71.668 -0.635 12.207 1.00 0.00 H new ATOM 0 HH TYR A 75 73.087 -2.211 12.790 1.00 0.00 H new ATOM 823 N GLU A 76 74.873 4.254 7.411 1.00 0.00 N ATOM 824 CA GLU A 76 75.433 5.090 6.355 1.00 0.00 C ATOM 825 C GLU A 76 75.975 4.170 5.266 1.00 0.00 C ATOM 826 O GLU A 76 76.546 3.121 5.528 1.00 0.00 O ATOM 827 CB GLU A 76 76.541 6.035 6.872 1.00 0.00 C ATOM 828 CG GLU A 76 77.239 5.553 8.153 1.00 0.00 C ATOM 829 CD GLU A 76 78.259 6.571 8.686 1.00 0.00 C ATOM 830 OE1 GLU A 76 77.876 7.716 8.919 1.00 0.00 O ATOM 831 OE2 GLU A 76 79.421 6.208 8.872 1.00 0.00 O ATOM 0 H GLU A 76 75.379 3.380 7.556 1.00 0.00 H new ATOM 0 HA GLU A 76 74.647 5.735 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 76 77.290 6.160 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 76 76.107 7.017 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 76 76.489 5.359 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 76 77.744 4.608 7.954 1.00 0.00 H new ATOM 838 N LEU A 77 75.734 4.644 4.029 1.00 0.00 N ATOM 839 CA LEU A 77 76.116 3.888 2.854 1.00 0.00 C ATOM 840 C LEU A 77 77.420 4.431 2.299 1.00 0.00 C ATOM 841 O LEU A 77 77.544 5.627 2.072 1.00 0.00 O ATOM 842 CB LEU A 77 75.035 4.080 1.797 1.00 0.00 C ATOM 843 CG LEU A 77 75.066 3.003 0.714 1.00 0.00 C ATOM 844 CD1 LEU A 77 74.970 1.611 1.350 1.00 0.00 C ATOM 845 CD2 LEU A 77 73.920 3.241 -0.270 1.00 0.00 C ATOM 0 H LEU A 77 75.282 5.537 3.834 1.00 0.00 H new ATOM 0 HA LEU A 77 76.235 2.836 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.057 4.076 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.157 5.059 1.333 1.00 0.00 H new ATOM 0 HG LEU A 77 76.009 3.056 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 77 74.993 0.852 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 77 75.811 1.461 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 77 74.037 1.529 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 77 73.940 2.474 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 77 72.969 3.196 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 77 74.033 4.223 -0.730 1.00 0.00 H new ATOM 857 N LEU A 78 78.376 3.501 2.101 1.00 0.00 N ATOM 858 CA LEU A 78 79.696 3.892 1.646 1.00 0.00 C ATOM 859 C LEU A 78 80.050 3.055 0.426 1.00 0.00 C ATOM 860 O LEU A 78 79.908 1.855 0.468 1.00 0.00 O ATOM 861 CB LEU A 78 80.754 3.680 2.745 1.00 0.00 C ATOM 862 CG LEU A 78 80.454 4.328 4.107 1.00 0.00 C ATOM 863 CD1 LEU A 78 79.845 5.725 3.999 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.572 3.445 4.982 1.00 0.00 C ATOM 0 H LEU A 78 78.250 2.500 2.249 1.00 0.00 H new ATOM 0 HA LEU A 78 79.686 4.953 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.882 2.608 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.707 4.067 2.383 1.00 0.00 H new ATOM 0 HG LEU A 78 81.429 4.436 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 78 79.660 6.120 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 78 80.535 6.383 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 78 78.904 5.671 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.387 3.944 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.623 3.264 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 78 80.074 2.494 5.163 1.00 0.00 H new ATOM 876 N GLN A 79 80.507 3.702 -0.660 1.00 0.00 N ATOM 877 CA GLN A 79 80.868 2.918 -1.836 1.00 0.00 C ATOM 878 C GLN A 79 82.394 2.869 -1.958 1.00 0.00 C ATOM 879 O GLN A 79 83.047 3.880 -1.807 1.00 0.00 O ATOM 880 CB GLN A 79 80.253 3.574 -3.067 1.00 0.00 C ATOM 881 CG GLN A 79 80.403 2.649 -4.293 1.00 0.00 C ATOM 882 CD GLN A 79 81.283 3.193 -5.403 1.00 0.00 C ATOM 883 OE1 GLN A 79 81.048 2.971 -6.583 1.00 0.00 O ATOM 884 NE2 GLN A 79 82.325 3.883 -4.947 1.00 0.00 N ATOM 0 H GLN A 79 80.628 4.711 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 79 80.492 1.899 -1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.199 3.785 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 79 80.740 4.529 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 79 80.811 1.694 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.412 2.448 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 79 82.445 4.021 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 79 83.003 4.274 -5.601 1.00 0.00 H new ATOM 893 N ILE A 80 82.933 1.670 -2.253 1.00 0.00 N ATOM 894 CA ILE A 80 84.381 1.525 -2.365 1.00 0.00 C ATOM 895 C ILE A 80 84.751 1.589 -3.850 1.00 0.00 C ATOM 896 O ILE A 80 84.250 0.828 -4.668 1.00 0.00 O ATOM 897 CB ILE A 80 84.809 0.176 -1.784 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.386 0.017 -0.319 1.00 0.00 C ATOM 899 CG2 ILE A 80 86.322 -0.066 -1.928 1.00 0.00 C ATOM 900 CD1 ILE A 80 84.009 -1.417 0.038 1.00 0.00 C ATOM 0 H ILE A 80 82.399 0.816 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 80 84.886 2.319 -1.815 1.00 0.00 H new ATOM 0 HB ILE A 80 84.288 -0.580 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.201 0.344 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.538 0.671 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 80 86.578 -1.036 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 80 86.594 -0.051 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.867 0.717 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 80 83.719 -1.466 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 80 83.175 -1.740 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 80 84.864 -2.071 -0.133 1.00 0.00 H new ATOM 912 N LEU A 81 85.661 2.542 -4.124 1.00 0.00 N ATOM 913 CA LEU A 81 86.050 2.850 -5.492 1.00 0.00 C ATOM 914 C LEU A 81 87.440 2.291 -5.810 1.00 0.00 C ATOM 915 O LEU A 81 87.663 1.820 -6.938 1.00 0.00 O ATOM 916 CB LEU A 81 85.951 4.361 -5.770 1.00 0.00 C ATOM 917 CG LEU A 81 86.198 5.261 -4.552 1.00 0.00 C ATOM 918 CD1 LEU A 81 86.597 6.670 -4.989 1.00 0.00 C ATOM 919 CD2 LEU A 81 84.983 5.350 -3.609 1.00 0.00 C ATOM 0 H LEU A 81 86.132 3.103 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 81 85.348 2.357 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 81 86.670 4.620 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.960 4.578 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 81 87.013 4.795 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.767 7.290 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.511 6.622 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 81 85.798 7.105 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 81 85.222 6.001 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.130 5.757 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 81 84.736 4.355 -3.239 1.00 0.00 H new ATOM 931 N SER A 82 88.401 2.364 -4.869 1.00 0.00 N ATOM 932 CA SER A 82 89.763 1.936 -5.168 1.00 0.00 C ATOM 933 C SER A 82 90.629 1.995 -3.951 1.00 0.00 C ATOM 934 O SER A 82 90.491 2.959 -3.209 1.00 0.00 O ATOM 935 CB SER A 82 90.361 2.868 -6.227 1.00 0.00 C ATOM 936 OG SER A 82 91.108 3.963 -5.716 1.00 0.00 O ATOM 0 H SER A 82 88.256 2.708 -3.920 1.00 0.00 H new ATOM 0 HA SER A 82 89.724 0.907 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 82 91.007 2.282 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 82 89.551 3.257 -6.844 1.00 0.00 H new ATOM 0 HG SER A 82 91.451 4.500 -6.460 1.00 0.00 H new ATOM 942 N ASP A 83 91.623 1.118 -3.752 1.00 0.00 N ATOM 943 CA ASP A 83 92.515 1.269 -2.580 1.00 0.00 C ATOM 944 C ASP A 83 91.792 1.431 -1.222 1.00 0.00 C ATOM 945 O ASP A 83 92.274 2.113 -0.333 1.00 0.00 O ATOM 946 CB ASP A 83 93.477 2.469 -2.784 1.00 0.00 C ATOM 947 CG ASP A 83 94.704 2.115 -3.636 1.00 0.00 C ATOM 948 OD1 ASP A 83 95.297 1.058 -3.414 1.00 0.00 O ATOM 949 OD2 ASP A 83 95.069 2.908 -4.503 1.00 0.00 O ATOM 0 H ASP A 83 91.830 0.324 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 83 93.061 0.327 -2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 83 92.934 3.286 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 83 93.809 2.831 -1.811 1.00 0.00 H new ATOM 954 N ASP A 84 90.599 0.787 -1.117 1.00 0.00 N ATOM 955 CA ASP A 84 89.827 0.841 0.125 1.00 0.00 C ATOM 956 C ASP A 84 89.123 2.203 0.386 1.00 0.00 C ATOM 957 O ASP A 84 88.378 2.353 1.322 1.00 0.00 O ATOM 958 CB ASP A 84 90.730 0.482 1.326 1.00 0.00 C ATOM 959 CG ASP A 84 90.010 -0.393 2.358 1.00 0.00 C ATOM 960 OD1 ASP A 84 89.554 -1.476 1.990 1.00 0.00 O ATOM 961 OD2 ASP A 84 89.922 0.010 3.517 1.00 0.00 O ATOM 0 H ASP A 84 90.171 0.241 -1.865 1.00 0.00 H new ATOM 0 HA ASP A 84 89.029 0.107 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 84 91.617 -0.040 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 84 91.072 1.399 1.806 1.00 0.00 H new ATOM 966 N ARG A 85 89.432 3.169 -0.526 1.00 0.00 N ATOM 967 CA ARG A 85 88.815 4.485 -0.529 1.00 0.00 C ATOM 968 C ARG A 85 87.304 4.316 -0.668 1.00 0.00 C ATOM 969 O ARG A 85 86.807 3.836 -1.673 1.00 0.00 O ATOM 970 CB ARG A 85 89.380 5.327 -1.694 1.00 0.00 C ATOM 971 CG ARG A 85 88.508 6.506 -2.101 1.00 0.00 C ATOM 972 CD ARG A 85 89.209 7.429 -3.101 1.00 0.00 C ATOM 973 NE ARG A 85 88.941 8.774 -2.624 1.00 0.00 N ATOM 974 CZ ARG A 85 89.976 9.529 -2.217 1.00 0.00 C ATOM 975 NH1 ARG A 85 91.117 9.523 -2.897 1.00 0.00 N ATOM 976 NH2 ARG A 85 89.848 10.253 -1.112 1.00 0.00 N ATOM 0 H ARG A 85 90.117 3.036 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 85 89.035 5.005 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.365 5.700 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.520 4.679 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.582 6.135 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 85 88.235 7.076 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 85 90.280 7.230 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 85 88.823 7.284 -4.110 1.00 0.00 H new ATOM 0 HE ARG A 85 87.988 9.138 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 85 91.210 8.944 -3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 85 91.900 10.097 -2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 85 88.974 10.231 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 85 90.623 10.832 -0.789 1.00 0.00 H new ATOM 990 N LYS A 86 86.639 4.744 0.420 1.00 0.00 N ATOM 991 CA LYS A 86 85.193 4.705 0.510 1.00 0.00 C ATOM 992 C LYS A 86 84.644 6.128 0.409 1.00 0.00 C ATOM 993 O LYS A 86 85.190 7.073 0.962 1.00 0.00 O ATOM 994 CB LYS A 86 84.820 4.070 1.848 1.00 0.00 C ATOM 995 CG LYS A 86 84.790 2.554 1.730 1.00 0.00 C ATOM 996 CD LYS A 86 84.705 1.865 3.093 1.00 0.00 C ATOM 997 CE LYS A 86 85.731 0.735 3.258 1.00 0.00 C ATOM 998 NZ LYS A 86 86.855 1.211 4.051 1.00 0.00 N ATOM 0 H LYS A 86 87.097 5.122 1.249 1.00 0.00 H new ATOM 0 HA LYS A 86 84.765 4.117 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 86 85.540 4.367 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 86 83.845 4.435 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 86 83.936 2.256 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 86 85.686 2.215 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 86 84.858 2.605 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 86 83.702 1.460 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 86 85.267 -0.123 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 86 86.078 0.399 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 87.723 0.722 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 86.969 2.235 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 86.677 1.017 5.057 1.00 0.00 H new ATOM 1012 N LEU A 87 83.528 6.196 -0.338 1.00 0.00 N ATOM 1013 CA LEU A 87 82.788 7.413 -0.599 1.00 0.00 C ATOM 1014 C LEU A 87 81.508 7.334 0.203 1.00 0.00 C ATOM 1015 O LEU A 87 81.070 6.250 0.521 1.00 0.00 O ATOM 1016 CB LEU A 87 82.467 7.480 -2.100 1.00 0.00 C ATOM 1017 CG LEU A 87 83.305 8.570 -2.778 1.00 0.00 C ATOM 1018 CD1 LEU A 87 83.156 8.529 -4.294 1.00 0.00 C ATOM 1019 CD2 LEU A 87 82.912 9.954 -2.251 1.00 0.00 C ATOM 0 H LEU A 87 83.116 5.376 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 87 83.357 8.300 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.669 6.515 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.406 7.687 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 87 84.350 8.378 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 87 83.764 9.316 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 87 83.487 7.559 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 87 82.110 8.683 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 87 83.517 10.716 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 87 81.858 10.137 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 87 83.081 9.995 -1.175 1.00 0.00 H new ATOM 1031 N LYS A 88 80.943 8.518 0.514 1.00 0.00 N ATOM 1032 CA LYS A 88 79.723 8.575 1.311 1.00 0.00 C ATOM 1033 C LYS A 88 78.542 8.972 0.437 1.00 0.00 C ATOM 1034 O LYS A 88 78.633 9.885 -0.373 1.00 0.00 O ATOM 1035 CB LYS A 88 79.926 9.589 2.438 1.00 0.00 C ATOM 1036 CG LYS A 88 79.195 9.194 3.734 1.00 0.00 C ATOM 1037 CD LYS A 88 80.121 9.279 4.956 1.00 0.00 C ATOM 1038 CE LYS A 88 79.792 10.449 5.878 1.00 0.00 C ATOM 1039 NZ LYS A 88 81.012 10.995 6.453 1.00 0.00 N ATOM 0 H LYS A 88 81.311 9.425 0.227 1.00 0.00 H new ATOM 0 HA LYS A 88 79.509 7.595 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 88 80.992 9.689 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.572 10.566 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.336 9.849 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 88 78.809 8.179 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.053 8.349 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.153 9.371 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.266 11.224 5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.123 10.118 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 80.775 11.791 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.498 10.257 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 81.636 11.328 5.691 1.00 0.00 H new ATOM 1053 N ILE A 89 77.436 8.225 0.651 1.00 0.00 N ATOM 1054 CA ILE A 89 76.238 8.437 -0.146 1.00 0.00 C ATOM 1055 C ILE A 89 75.211 9.199 0.720 1.00 0.00 C ATOM 1056 O ILE A 89 74.950 8.813 1.854 1.00 0.00 O ATOM 1057 CB ILE A 89 75.683 7.092 -0.644 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.830 6.172 -1.121 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.612 7.293 -1.719 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.445 5.137 -2.177 1.00 0.00 C ATOM 0 H ILE A 89 77.361 7.490 1.355 1.00 0.00 H new ATOM 0 HA ILE A 89 76.466 9.031 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 89 75.193 6.592 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.630 6.795 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.237 5.649 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.241 6.323 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.788 7.876 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 89 75.043 7.824 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.321 4.544 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.670 4.482 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 89 76.069 5.646 -3.065 1.00 0.00 H new ATOM 1072 N PRO A 90 74.630 10.295 0.147 1.00 0.00 N ATOM 1073 CA PRO A 90 73.609 11.083 0.832 1.00 0.00 C ATOM 1074 C PRO A 90 72.297 10.297 0.890 1.00 0.00 C ATOM 1075 O PRO A 90 72.139 9.282 0.225 1.00 0.00 O ATOM 1076 CB PRO A 90 73.435 12.338 -0.031 1.00 0.00 C ATOM 1077 CG PRO A 90 73.895 11.923 -1.422 1.00 0.00 C ATOM 1078 CD PRO A 90 74.921 10.801 -1.194 1.00 0.00 C ATOM 0 HA PRO A 90 73.889 11.325 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.397 12.670 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 90 74.031 13.166 0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 90 73.057 11.573 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 90 74.342 12.762 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.821 10.016 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.941 11.178 -1.262 1.00 0.00 H new ATOM 1086 N GLU A 91 71.392 10.836 1.735 1.00 0.00 N ATOM 1087 CA GLU A 91 70.122 10.201 2.056 1.00 0.00 C ATOM 1088 C GLU A 91 69.219 9.908 0.830 1.00 0.00 C ATOM 1089 O GLU A 91 68.290 9.129 0.943 1.00 0.00 O ATOM 1090 CB GLU A 91 69.370 11.087 3.051 1.00 0.00 C ATOM 1091 CG GLU A 91 68.063 10.455 3.567 1.00 0.00 C ATOM 1092 CD GLU A 91 67.287 11.355 4.539 1.00 0.00 C ATOM 1093 OE1 GLU A 91 67.836 12.350 5.011 1.00 0.00 O ATOM 1094 OE2 GLU A 91 66.127 11.048 4.812 1.00 0.00 O ATOM 0 H GLU A 91 71.535 11.728 2.209 1.00 0.00 H new ATOM 0 HA GLU A 91 70.360 9.226 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 91 70.021 11.302 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.141 12.041 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.424 10.217 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 91 68.296 9.513 4.064 1.00 0.00 H new ATOM 1101 N ASN A 92 69.489 10.553 -0.326 1.00 0.00 N ATOM 1102 CA ASN A 92 68.573 10.367 -1.460 1.00 0.00 C ATOM 1103 C ASN A 92 69.306 10.108 -2.771 1.00 0.00 C ATOM 1104 O ASN A 92 68.687 9.931 -3.812 1.00 0.00 O ATOM 1105 CB ASN A 92 67.662 11.594 -1.606 1.00 0.00 C ATOM 1106 CG ASN A 92 66.194 11.217 -1.893 1.00 0.00 C ATOM 1107 OD1 ASN A 92 65.282 11.734 -1.259 1.00 0.00 O ATOM 1108 ND2 ASN A 92 66.007 10.298 -2.860 1.00 0.00 N ATOM 0 H ASN A 92 70.284 11.170 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 92 67.975 9.482 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 92 67.708 12.186 -0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 92 68.035 12.224 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 92 65.063 9.995 -3.100 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.809 9.905 -3.352 1.00 0.00 H new ATOM 1115 N ALA A 93 70.645 10.081 -2.674 1.00 0.00 N ATOM 1116 CA ALA A 93 71.431 9.748 -3.844 1.00 0.00 C ATOM 1117 C ALA A 93 71.031 8.363 -4.324 1.00 0.00 C ATOM 1118 O ALA A 93 71.296 7.369 -3.659 1.00 0.00 O ATOM 1119 CB ALA A 93 72.885 9.671 -3.421 1.00 0.00 C ATOM 0 H ALA A 93 71.178 10.279 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 93 71.276 10.491 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 93 73.502 9.421 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.198 10.634 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 93 73.001 8.902 -2.657 1.00 0.00 H new ATOM 1125 N ASN A 94 70.397 8.383 -5.514 1.00 0.00 N ATOM 1126 CA ASN A 94 70.032 7.157 -6.192 1.00 0.00 C ATOM 1127 C ASN A 94 71.282 6.298 -6.288 1.00 0.00 C ATOM 1128 O ASN A 94 72.164 6.608 -7.067 1.00 0.00 O ATOM 1129 CB ASN A 94 69.536 7.519 -7.600 1.00 0.00 C ATOM 1130 CG ASN A 94 68.181 8.249 -7.514 1.00 0.00 C ATOM 1131 OD1 ASN A 94 67.695 8.586 -6.440 1.00 0.00 O ATOM 1132 ND2 ASN A 94 67.604 8.477 -8.705 1.00 0.00 N ATOM 0 H ASN A 94 70.136 9.236 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 94 69.249 6.618 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 94 70.268 8.153 -8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 94 69.433 6.616 -8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 94 66.706 8.958 -8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 94 68.064 8.169 -9.562 1.00 0.00 H new ATOM 1139 N VAL A 95 71.329 5.251 -5.425 1.00 0.00 N ATOM 1140 CA VAL A 95 72.531 4.424 -5.349 1.00 0.00 C ATOM 1141 C VAL A 95 72.905 3.913 -6.734 1.00 0.00 C ATOM 1142 O VAL A 95 74.063 3.808 -7.042 1.00 0.00 O ATOM 1143 CB VAL A 95 72.339 3.238 -4.404 1.00 0.00 C ATOM 1144 CG1 VAL A 95 73.478 2.200 -4.404 1.00 0.00 C ATOM 1145 CG2 VAL A 95 72.030 3.718 -2.979 1.00 0.00 C ATOM 0 H VAL A 95 70.572 4.977 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 95 73.334 5.047 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 95 71.480 2.701 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 95 73.243 1.401 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.589 1.781 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 95 74.410 2.682 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.898 2.856 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.856 4.327 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 95 71.116 4.312 -2.985 1.00 0.00 H new ATOM 1155 N PHE A 96 71.901 3.648 -7.581 1.00 0.00 N ATOM 1156 CA PHE A 96 72.226 3.265 -8.951 1.00 0.00 C ATOM 1157 C PHE A 96 73.289 4.192 -9.631 1.00 0.00 C ATOM 1158 O PHE A 96 74.174 3.718 -10.331 1.00 0.00 O ATOM 1159 CB PHE A 96 70.910 3.213 -9.734 1.00 0.00 C ATOM 1160 CG PHE A 96 71.013 2.340 -10.958 1.00 0.00 C ATOM 1161 CD1 PHE A 96 71.880 2.660 -11.995 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.241 1.192 -11.072 1.00 0.00 C ATOM 1163 CE1 PHE A 96 71.989 1.871 -13.126 1.00 0.00 C ATOM 1164 CE2 PHE A 96 70.342 0.403 -12.211 1.00 0.00 C ATOM 1165 CZ PHE A 96 71.213 0.736 -13.234 1.00 0.00 C ATOM 0 H PHE A 96 70.907 3.689 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 96 72.706 2.287 -8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.118 2.837 -9.086 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.626 4.222 -10.032 1.00 0.00 H new ATOM 0 HD1 PHE A 96 72.486 3.550 -11.916 1.00 0.00 H new ATOM 0 HD2 PHE A 96 69.564 0.913 -10.278 1.00 0.00 H new ATOM 0 HE1 PHE A 96 72.674 2.141 -13.916 1.00 0.00 H new ATOM 0 HE2 PHE A 96 69.732 -0.484 -12.300 1.00 0.00 H new ATOM 0 HZ PHE A 96 71.284 0.111 -14.112 1.00 0.00 H new ATOM 1175 N TYR A 97 73.153 5.514 -9.374 1.00 0.00 N ATOM 1176 CA TYR A 97 73.964 6.541 -10.035 1.00 0.00 C ATOM 1177 C TYR A 97 74.876 7.368 -9.098 1.00 0.00 C ATOM 1178 O TYR A 97 75.541 8.280 -9.575 1.00 0.00 O ATOM 1179 CB TYR A 97 73.002 7.478 -10.795 1.00 0.00 C ATOM 1180 CG TYR A 97 72.881 7.067 -12.234 1.00 0.00 C ATOM 1181 CD1 TYR A 97 72.080 5.991 -12.588 1.00 0.00 C ATOM 1182 CD2 TYR A 97 73.584 7.739 -13.225 1.00 0.00 C ATOM 1183 CE1 TYR A 97 72.002 5.564 -13.907 1.00 0.00 C ATOM 1184 CE2 TYR A 97 73.496 7.330 -14.550 1.00 0.00 C ATOM 1185 CZ TYR A 97 72.714 6.236 -14.896 1.00 0.00 C ATOM 1186 OH TYR A 97 72.664 5.843 -16.222 1.00 0.00 O ATOM 0 H TYR A 97 72.480 5.888 -8.705 1.00 0.00 H new ATOM 0 HA TYR A 97 74.655 6.022 -10.699 1.00 0.00 H new ATOM 0 HB2 TYR A 97 72.020 7.458 -10.323 1.00 0.00 H new ATOM 0 HB3 TYR A 97 73.364 8.504 -10.735 1.00 0.00 H new ATOM 0 HD1 TYR A 97 71.509 5.479 -11.828 1.00 0.00 H new ATOM 0 HD2 TYR A 97 74.203 8.585 -12.964 1.00 0.00 H new ATOM 0 HE1 TYR A 97 71.390 4.712 -14.165 1.00 0.00 H new ATOM 0 HE2 TYR A 97 74.039 7.866 -15.315 1.00 0.00 H new ATOM 0 HH TYR A 97 73.227 6.437 -16.761 1.00 0.00 H new ATOM 1196 N ALA A 98 74.895 7.049 -7.784 1.00 0.00 N ATOM 1197 CA ALA A 98 75.634 7.902 -6.840 1.00 0.00 C ATOM 1198 C ALA A 98 76.968 7.297 -6.362 1.00 0.00 C ATOM 1199 O ALA A 98 77.536 7.716 -5.360 1.00 0.00 O ATOM 1200 CB ALA A 98 74.746 8.177 -5.635 1.00 0.00 C ATOM 0 H ALA A 98 74.427 6.242 -7.371 1.00 0.00 H new ATOM 0 HA ALA A 98 75.889 8.818 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 98 75.281 8.809 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 98 73.838 8.685 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 98 74.482 7.235 -5.155 1.00 0.00 H new ATOM 1206 N MET A 99 77.407 6.283 -7.121 1.00 0.00 N ATOM 1207 CA MET A 99 78.531 5.440 -6.744 1.00 0.00 C ATOM 1208 C MET A 99 79.460 5.448 -7.942 1.00 0.00 C ATOM 1209 O MET A 99 79.006 5.321 -9.072 1.00 0.00 O ATOM 1210 CB MET A 99 78.047 4.008 -6.424 1.00 0.00 C ATOM 1211 CG MET A 99 76.593 3.764 -6.784 1.00 0.00 C ATOM 1212 SD MET A 99 76.394 3.494 -8.555 1.00 0.00 S ATOM 1213 CE MET A 99 75.865 1.768 -8.499 1.00 0.00 C ATOM 0 H MET A 99 76.986 6.030 -8.015 1.00 0.00 H new ATOM 0 HA MET A 99 79.034 5.804 -5.848 1.00 0.00 H new ATOM 0 HB2 MET A 99 78.671 3.294 -6.962 1.00 0.00 H new ATOM 0 HB3 MET A 99 78.187 3.815 -5.360 1.00 0.00 H new ATOM 0 HG2 MET A 99 76.221 2.897 -6.238 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.991 4.618 -6.474 1.00 0.00 H new ATOM 0 HE1 MET A 99 75.961 1.326 -9.491 1.00 0.00 H new ATOM 0 HE2 MET A 99 76.490 1.219 -7.795 1.00 0.00 H new ATOM 0 HE3 MET A 99 74.825 1.717 -8.178 1.00 0.00 H new ATOM 1223 N ASN A 100 80.765 5.610 -7.626 1.00 0.00 N ATOM 1224 CA ASN A 100 81.830 5.606 -8.633 1.00 0.00 C ATOM 1225 C ASN A 100 81.628 4.483 -9.658 1.00 0.00 C ATOM 1226 O ASN A 100 81.876 3.312 -9.395 1.00 0.00 O ATOM 1227 CB ASN A 100 83.185 5.379 -7.964 1.00 0.00 C ATOM 1228 CG ASN A 100 83.410 6.447 -6.911 1.00 0.00 C ATOM 1229 OD1 ASN A 100 83.033 6.258 -5.769 1.00 0.00 O ATOM 1230 ND2 ASN A 100 84.041 7.554 -7.328 1.00 0.00 N ATOM 0 H ASN A 100 81.099 5.746 -6.672 1.00 0.00 H new ATOM 0 HA ASN A 100 81.799 6.573 -9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 100 83.217 4.390 -7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 100 83.981 5.412 -8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 100 84.235 8.309 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 100 84.328 7.641 -8.303 1.00 0.00 H new ATOM 1237 N SER A 101 81.133 4.935 -10.827 1.00 0.00 N ATOM 1238 CA SER A 101 80.732 4.008 -11.874 1.00 0.00 C ATOM 1239 C SER A 101 81.972 3.371 -12.531 1.00 0.00 C ATOM 1240 O SER A 101 81.987 2.194 -12.870 1.00 0.00 O ATOM 1241 CB SER A 101 79.877 4.772 -12.901 1.00 0.00 C ATOM 1242 OG SER A 101 78.863 3.958 -13.469 1.00 0.00 O ATOM 0 H SER A 101 81.007 5.921 -11.057 1.00 0.00 H new ATOM 0 HA SER A 101 80.140 3.196 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 101 79.419 5.636 -12.419 1.00 0.00 H new ATOM 0 HB3 SER A 101 80.520 5.154 -13.694 1.00 0.00 H new ATOM 0 HG SER A 101 78.344 4.484 -14.113 1.00 0.00 H new ATOM 1248 N THR A 102 83.009 4.232 -12.655 1.00 0.00 N ATOM 1249 CA THR A 102 84.289 3.868 -13.262 1.00 0.00 C ATOM 1250 C THR A 102 85.142 2.920 -12.378 1.00 0.00 C ATOM 1251 O THR A 102 86.271 2.596 -12.729 1.00 0.00 O ATOM 1252 CB THR A 102 85.057 5.181 -13.529 1.00 0.00 C ATOM 1253 OG1 THR A 102 86.291 4.952 -14.200 1.00 0.00 O ATOM 1254 CG2 THR A 102 85.366 5.940 -12.225 1.00 0.00 C ATOM 0 H THR A 102 82.971 5.199 -12.333 1.00 0.00 H new ATOM 0 HA THR A 102 84.094 3.315 -14.181 1.00 0.00 H new ATOM 0 HB THR A 102 84.400 5.778 -14.161 1.00 0.00 H new ATOM 0 HG1 THR A 102 86.673 4.100 -13.901 1.00 0.00 H new ATOM 0 HG21 THR A 102 85.907 6.857 -12.457 1.00 0.00 H new ATOM 0 HG22 THR A 102 84.433 6.187 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 102 85.977 5.313 -11.575 1.00 0.00 H new ATOM 1262 N ALA A 103 84.568 2.519 -11.220 1.00 0.00 N ATOM 1263 CA ALA A 103 85.275 1.701 -10.245 1.00 0.00 C ATOM 1264 C ALA A 103 84.631 0.302 -10.187 1.00 0.00 C ATOM 1265 O ALA A 103 84.718 -0.459 -11.141 1.00 0.00 O ATOM 1266 CB ALA A 103 85.279 2.448 -8.911 1.00 0.00 C ATOM 0 H ALA A 103 83.613 2.757 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 103 86.316 1.536 -10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 103 85.804 1.854 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 103 85.783 3.407 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 103 84.253 2.617 -8.585 1.00 0.00 H new ATOM 1272 N ASN A 104 83.999 0.004 -9.025 1.00 0.00 N ATOM 1273 CA ASN A 104 83.388 -1.302 -8.803 1.00 0.00 C ATOM 1274 C ASN A 104 82.092 -1.096 -8.003 1.00 0.00 C ATOM 1275 O ASN A 104 81.783 0.006 -7.568 1.00 0.00 O ATOM 1276 CB ASN A 104 84.393 -2.208 -8.061 1.00 0.00 C ATOM 1277 CG ASN A 104 84.363 -3.644 -8.617 1.00 0.00 C ATOM 1278 OD1 ASN A 104 84.475 -3.861 -9.818 1.00 0.00 O ATOM 1279 ND2 ASN A 104 84.204 -4.601 -7.691 1.00 0.00 N ATOM 0 H ASN A 104 83.907 0.652 -8.243 1.00 0.00 H new ATOM 0 HA ASN A 104 83.137 -1.792 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 104 85.398 -1.798 -8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 104 84.157 -2.222 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 104 84.170 -5.581 -7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 104 84.117 -4.349 -6.707 1.00 0.00 H new ATOM 1286 N TYR A 105 81.356 -2.221 -7.853 1.00 0.00 N ATOM 1287 CA TYR A 105 80.040 -2.189 -7.215 1.00 0.00 C ATOM 1288 C TYR A 105 80.105 -2.756 -5.792 1.00 0.00 C ATOM 1289 O TYR A 105 79.396 -3.696 -5.468 1.00 0.00 O ATOM 1290 CB TYR A 105 79.061 -3.022 -8.057 1.00 0.00 C ATOM 1291 CG TYR A 105 78.777 -2.350 -9.370 1.00 0.00 C ATOM 1292 CD1 TYR A 105 79.621 -2.533 -10.460 1.00 0.00 C ATOM 1293 CD2 TYR A 105 77.664 -1.527 -9.501 1.00 0.00 C ATOM 1294 CE1 TYR A 105 79.361 -1.898 -11.666 1.00 0.00 C ATOM 1295 CE2 TYR A 105 77.398 -0.895 -10.706 1.00 0.00 C ATOM 1296 CZ TYR A 105 78.244 -1.079 -11.790 1.00 0.00 C ATOM 1297 OH TYR A 105 77.963 -0.449 -12.985 1.00 0.00 O ATOM 0 H TYR A 105 81.654 -3.146 -8.164 1.00 0.00 H new ATOM 0 HA TYR A 105 79.702 -1.155 -7.153 1.00 0.00 H new ATOM 0 HB2 TYR A 105 79.479 -4.013 -8.234 1.00 0.00 H new ATOM 0 HB3 TYR A 105 78.130 -3.162 -7.507 1.00 0.00 H new ATOM 0 HD1 TYR A 105 80.485 -3.174 -10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 105 77.003 -1.379 -8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 105 80.024 -2.039 -12.506 1.00 0.00 H new ATOM 0 HE2 TYR A 105 76.531 -0.258 -10.801 1.00 0.00 H new ATOM 0 HH TYR A 105 77.145 0.082 -12.890 1.00 0.00 H new ATOM 1307 N ASP A 106 80.979 -2.138 -4.969 1.00 0.00 N ATOM 1308 CA ASP A 106 81.203 -2.616 -3.601 1.00 0.00 C ATOM 1309 C ASP A 106 80.752 -1.511 -2.641 1.00 0.00 C ATOM 1310 O ASP A 106 80.935 -0.339 -2.922 1.00 0.00 O ATOM 1311 CB ASP A 106 82.696 -2.911 -3.393 1.00 0.00 C ATOM 1312 CG ASP A 106 83.347 -3.671 -4.558 1.00 0.00 C ATOM 1313 OD1 ASP A 106 82.662 -4.433 -5.237 1.00 0.00 O ATOM 1314 OD2 ASP A 106 84.543 -3.480 -4.777 1.00 0.00 O ATOM 0 H ASP A 106 81.530 -1.320 -5.229 1.00 0.00 H new ATOM 0 HA ASP A 106 80.641 -3.532 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 106 83.225 -1.970 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.818 -3.492 -2.479 1.00 0.00 H new ATOM 1319 N PHE A 107 80.106 -1.935 -1.535 1.00 0.00 N ATOM 1320 CA PHE A 107 79.401 -1.017 -0.644 1.00 0.00 C ATOM 1321 C PHE A 107 79.621 -1.514 0.794 1.00 0.00 C ATOM 1322 O PHE A 107 79.752 -2.702 1.031 1.00 0.00 O ATOM 1323 CB PHE A 107 77.900 -0.953 -1.007 1.00 0.00 C ATOM 1324 CG PHE A 107 77.661 -0.252 -2.319 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.883 -0.930 -3.514 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.236 1.073 -2.361 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.730 -0.294 -4.729 1.00 0.00 C ATOM 1328 CE2 PHE A 107 77.052 1.707 -3.585 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.318 1.016 -4.759 1.00 0.00 C ATOM 0 H PHE A 107 80.064 -2.912 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 107 79.786 -0.002 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.497 -1.964 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.358 -0.434 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 107 78.179 -1.968 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 107 77.049 1.609 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.933 -0.822 -5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.705 2.729 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 107 77.199 1.515 -5.709 1.00 0.00 H new ATOM 1339 N VAL A 108 79.693 -0.554 1.736 1.00 0.00 N ATOM 1340 CA VAL A 108 79.875 -0.834 3.148 1.00 0.00 C ATOM 1341 C VAL A 108 78.706 -0.151 3.869 1.00 0.00 C ATOM 1342 O VAL A 108 78.305 0.950 3.533 1.00 0.00 O ATOM 1343 CB VAL A 108 81.254 -0.314 3.605 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.476 -0.372 5.131 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.387 -1.037 2.855 1.00 0.00 C ATOM 0 H VAL A 108 79.624 0.441 1.523 1.00 0.00 H new ATOM 0 HA VAL A 108 79.868 -1.900 3.374 1.00 0.00 H new ATOM 0 HB VAL A 108 81.271 0.745 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.468 0.011 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 108 80.723 0.236 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 108 81.394 -1.404 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.350 -0.654 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.331 -2.107 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.284 -0.863 1.784 1.00 0.00 H new ATOM 1355 N LEU A 109 78.188 -0.889 4.865 1.00 0.00 N ATOM 1356 CA LEU A 109 77.135 -0.410 5.735 1.00 0.00 C ATOM 1357 C LEU A 109 77.763 -0.135 7.106 1.00 0.00 C ATOM 1358 O LEU A 109 78.219 -1.045 7.785 1.00 0.00 O ATOM 1359 CB LEU A 109 76.103 -1.527 5.882 1.00 0.00 C ATOM 1360 CG LEU A 109 74.691 -1.023 6.151 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.092 -0.435 4.869 1.00 0.00 C ATOM 1362 CD2 LEU A 109 73.842 -2.157 6.743 1.00 0.00 C ATOM 0 H LEU A 109 78.499 -1.837 5.079 1.00 0.00 H new ATOM 0 HA LEU A 109 76.664 0.489 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 109 76.098 -2.127 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.406 -2.185 6.696 1.00 0.00 H new ATOM 0 HG LEU A 109 74.711 -0.219 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.082 -0.077 5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.710 0.395 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 109 74.057 -1.204 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 109 72.832 -1.794 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 109 73.801 -2.987 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.289 -2.496 7.678 1.00 0.00 H new ATOM 1374 N LYS A 110 77.765 1.156 7.464 1.00 0.00 N ATOM 1375 CA LYS A 110 78.389 1.588 8.708 1.00 0.00 C ATOM 1376 C LYS A 110 77.328 2.187 9.599 1.00 0.00 C ATOM 1377 O LYS A 110 76.435 2.857 9.132 1.00 0.00 O ATOM 1378 CB LYS A 110 79.401 2.671 8.367 1.00 0.00 C ATOM 1379 CG LYS A 110 80.747 2.083 8.029 1.00 0.00 C ATOM 1380 CD LYS A 110 81.734 3.109 7.493 1.00 0.00 C ATOM 1381 CE LYS A 110 82.762 3.518 8.542 1.00 0.00 C ATOM 1382 NZ LYS A 110 83.432 4.730 8.113 1.00 0.00 N ATOM 0 H LYS A 110 77.346 1.906 6.914 1.00 0.00 H new ATOM 0 HA LYS A 110 78.870 0.749 9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.037 3.258 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.503 3.354 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 110 81.166 1.617 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 110 80.616 1.294 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 110 82.247 2.698 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.191 3.992 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 110 82.273 3.680 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 110 83.489 2.719 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 84.134 5.010 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 83.911 4.559 7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 82.733 5.491 7.997 1.00 0.00 H new ATOM 1396 N LYS A 111 77.486 1.918 10.905 1.00 0.00 N ATOM 1397 CA LYS A 111 76.533 2.458 11.857 1.00 0.00 C ATOM 1398 C LYS A 111 77.026 3.827 12.329 1.00 0.00 C ATOM 1399 O LYS A 111 78.224 4.074 12.396 1.00 0.00 O ATOM 1400 CB LYS A 111 76.404 1.470 13.013 1.00 0.00 C ATOM 1401 CG LYS A 111 74.976 1.410 13.546 1.00 0.00 C ATOM 1402 CD LYS A 111 74.808 0.320 14.588 1.00 0.00 C ATOM 1403 CE LYS A 111 75.575 0.653 15.862 1.00 0.00 C ATOM 1404 NZ LYS A 111 75.036 -0.105 16.976 1.00 0.00 N ATOM 0 H LYS A 111 78.236 1.353 11.303 1.00 0.00 H new ATOM 0 HA LYS A 111 75.550 2.595 11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.710 0.478 12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 111 77.081 1.760 13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.710 2.373 13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 111 74.287 1.232 12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 111 73.750 0.194 14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.161 -0.629 14.185 1.00 0.00 H new ATOM 0 HE2 LYS A 111 76.632 0.422 15.731 1.00 0.00 H new ATOM 0 HE3 LYS A 111 75.506 1.721 16.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 75.564 0.127 17.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.033 0.136 17.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 75.125 -1.122 16.779 1.00 0.00 H new ATOM 1418 N ARG A 112 76.040 4.692 12.655 1.00 0.00 N ATOM 1419 CA ARG A 112 76.358 6.025 13.153 1.00 0.00 C ATOM 1420 C ARG A 112 76.561 6.023 14.679 1.00 0.00 C ATOM 1421 O ARG A 112 76.037 6.859 15.407 1.00 0.00 O ATOM 1422 CB ARG A 112 75.226 6.974 12.762 1.00 0.00 C ATOM 1423 CG ARG A 112 75.758 8.314 12.245 1.00 0.00 C ATOM 1424 CD ARG A 112 74.622 9.151 11.683 1.00 0.00 C ATOM 1425 NE ARG A 112 73.483 9.136 12.589 1.00 0.00 N ATOM 1426 CZ ARG A 112 73.014 10.259 13.154 1.00 0.00 C ATOM 1427 NH1 ARG A 112 73.840 11.144 13.705 1.00 0.00 N ATOM 1428 NH2 ARG A 112 71.704 10.468 13.137 1.00 0.00 N ATOM 0 H ARG A 112 75.044 4.487 12.581 1.00 0.00 H new ATOM 0 HA ARG A 112 77.295 6.359 12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 112 74.610 6.507 11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 112 74.583 7.147 13.625 1.00 0.00 H new ATOM 0 HG2 ARG A 112 76.251 8.854 13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 112 76.508 8.142 11.473 1.00 0.00 H new ATOM 0 HD2 ARG A 112 74.959 10.176 11.529 1.00 0.00 H new ATOM 0 HD3 ARG A 112 74.324 8.764 10.708 1.00 0.00 H new ATOM 0 HE ARG A 112 73.029 8.247 12.800 1.00 0.00 H new ATOM 0 HH11 ARG A 112 74.846 10.974 13.702 1.00 0.00 H new ATOM 0 HH12 ARG A 112 73.468 11.993 14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 112 71.084 9.784 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 112 71.317 11.312 13.558 1.00 0.00 H new