USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 61 GLN : amide:sc= -2.64! C(o=-1.9!,f=-7.8!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.775 K(o=-1.9,f=-12!) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.168 K(o=-0.24,f=-1.1) USER MOD Set 2.2: A 34 GLN : amide:sc= -0.0723 K(o=-0.24,f=-1.4!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -171:sc= 1.11 (180deg=-0.223) USER MOD Set 3.2: A 33 TYR OH : rot 180:sc= 0.85 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0434 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 127:sc= 1.45 USER MOD Single : A 9 SER OG : rot 180:sc= -0.121 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 150:sc= 0 USER MOD Single : A 14 SER OG : rot -120:sc= -0.203 USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 0.00191 (180deg=0) USER MOD Single : A 25 SER OG : rot 50:sc= 0.869 USER MOD Single : A 26 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.8) USER MOD Single : A 32 GLN : amide:sc= -1.02 K(o=-1,f=-0.046) USER MOD Single : A 35 TYR OH : rot 24:sc= 1.11 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.702 USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.351) USER MOD Single : A 49 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 1.71 (180deg=-0.297) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0848 USER MOD Single : A 66 GLN : amide:sc= 1.13 K(o=1.1,f=-0.021) USER MOD Single : A 67 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.112) USER MOD Single : A 82 ASN : amide:sc= -0.841 K(o=-0.84,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.371 1.530 9.039 1.00 2.03 N ATOM 2 CA MET A 1 9.118 1.170 8.376 1.00 1.43 C ATOM 3 C MET A 1 8.491 2.465 7.876 1.00 1.20 C ATOM 4 O MET A 1 8.418 3.424 8.641 1.00 1.59 O ATOM 5 CB MET A 1 8.128 0.477 9.325 1.00 1.27 C ATOM 6 CG MET A 1 8.541 -0.917 9.810 1.00 1.60 C ATOM 7 SD MET A 1 8.992 -2.107 8.528 1.00 3.50 S ATOM 8 CE MET A 1 8.924 -3.649 9.459 1.00 3.93 C ATOM 0 H1 MET A 1 10.547 0.876 9.828 1.00 2.03 H new ATOM 0 H2 MET A 1 11.154 1.469 8.358 1.00 2.03 H new ATOM 0 H3 MET A 1 10.304 2.502 9.404 1.00 2.03 H new ATOM 0 HA MET A 1 9.334 0.469 7.570 1.00 1.43 H new ATOM 0 HB2 MET A 1 7.979 1.116 10.196 1.00 1.27 H new ATOM 0 HB3 MET A 1 7.165 0.396 8.821 1.00 1.27 H new ATOM 0 HG2 MET A 1 9.387 -0.807 10.488 1.00 1.60 H new ATOM 0 HG3 MET A 1 7.719 -1.335 10.391 1.00 1.60 H new ATOM 0 HE1 MET A 1 9.179 -4.482 8.803 1.00 3.93 H new ATOM 0 HE2 MET A 1 9.634 -3.607 10.285 1.00 3.93 H new ATOM 0 HE3 MET A 1 7.918 -3.792 9.853 1.00 3.93 H new ATOM 20 N GLN A 2 8.003 2.505 6.639 1.00 1.00 N ATOM 21 CA GLN A 2 7.164 3.584 6.154 1.00 0.81 C ATOM 22 C GLN A 2 6.188 2.981 5.160 1.00 0.88 C ATOM 23 O GLN A 2 6.617 2.303 4.231 1.00 1.33 O ATOM 24 CB GLN A 2 8.015 4.663 5.487 1.00 1.00 C ATOM 25 CG GLN A 2 7.165 5.914 5.228 1.00 1.35 C ATOM 26 CD GLN A 2 7.889 6.943 4.373 1.00 1.57 C ATOM 27 OE1 GLN A 2 8.999 6.711 3.902 1.00 2.58 O ATOM 28 NE2 GLN A 2 7.254 8.085 4.155 1.00 1.93 N ATOM 0 H GLN A 2 8.183 1.781 5.944 1.00 1.00 H new ATOM 0 HA GLN A 2 6.628 4.057 6.977 1.00 0.81 H new ATOM 0 HB2 GLN A 2 8.863 4.915 6.124 1.00 1.00 H new ATOM 0 HB3 GLN A 2 8.422 4.288 4.548 1.00 1.00 H new ATOM 0 HG2 GLN A 2 6.238 5.624 4.734 1.00 1.35 H new ATOM 0 HG3 GLN A 2 6.890 6.366 6.181 1.00 1.35 H new ATOM 0 HE21 GLN A 2 6.333 8.242 4.563 1.00 1.93 H new ATOM 0 HE22 GLN A 2 7.687 8.807 3.579 1.00 1.93 H new ATOM 37 N THR A 3 4.894 3.190 5.355 1.00 0.93 N ATOM 38 CA THR A 3 3.885 2.620 4.480 1.00 0.99 C ATOM 39 C THR A 3 3.689 3.532 3.260 1.00 0.95 C ATOM 40 O THR A 3 2.939 4.503 3.313 1.00 1.45 O ATOM 41 CB THR A 3 2.612 2.402 5.300 1.00 1.07 C ATOM 42 OG1 THR A 3 2.897 1.589 6.421 1.00 1.25 O ATOM 43 CG2 THR A 3 1.564 1.674 4.471 1.00 1.18 C ATOM 0 H THR A 3 4.518 3.754 6.117 1.00 0.93 H new ATOM 0 HA THR A 3 4.189 1.651 4.085 1.00 0.99 H new ATOM 0 HB THR A 3 2.242 3.380 5.609 1.00 1.07 H new ATOM 0 HG1 THR A 3 2.587 2.036 7.236 1.00 1.25 H new ATOM 0 HG21 THR A 3 0.665 1.527 5.069 1.00 1.18 H new ATOM 0 HG22 THR A 3 1.321 2.267 3.590 1.00 1.18 H new ATOM 0 HG23 THR A 3 1.955 0.705 4.159 1.00 1.18 H new ATOM 51 N VAL A 4 4.368 3.253 2.157 1.00 0.60 N ATOM 52 CA VAL A 4 4.236 4.031 0.936 1.00 0.49 C ATOM 53 C VAL A 4 3.047 3.466 0.149 1.00 0.47 C ATOM 54 O VAL A 4 3.070 2.294 -0.213 1.00 0.60 O ATOM 55 CB VAL A 4 5.553 3.996 0.146 1.00 0.61 C ATOM 56 CG1 VAL A 4 5.501 5.040 -0.973 1.00 0.71 C ATOM 57 CG2 VAL A 4 6.745 4.319 1.061 1.00 0.79 C ATOM 0 H VAL A 4 5.028 2.478 2.084 1.00 0.60 H new ATOM 0 HA VAL A 4 4.040 5.082 1.149 1.00 0.49 H new ATOM 0 HB VAL A 4 5.680 2.996 -0.268 1.00 0.61 H new ATOM 0 HG11 VAL A 4 6.434 5.017 -1.535 1.00 0.71 H new ATOM 0 HG12 VAL A 4 4.669 4.816 -1.641 1.00 0.71 H new ATOM 0 HG13 VAL A 4 5.362 6.031 -0.540 1.00 0.71 H new ATOM 0 HG21 VAL A 4 7.667 4.289 0.481 1.00 0.79 H new ATOM 0 HG22 VAL A 4 6.617 5.314 1.488 1.00 0.79 H new ATOM 0 HG23 VAL A 4 6.797 3.584 1.864 1.00 0.79 H new ATOM 67 N ILE A 5 1.999 4.248 -0.111 1.00 0.55 N ATOM 68 CA ILE A 5 0.835 3.800 -0.871 1.00 0.45 C ATOM 69 C ILE A 5 1.075 4.301 -2.284 1.00 0.40 C ATOM 70 O ILE A 5 1.379 5.481 -2.432 1.00 0.71 O ATOM 71 CB ILE A 5 -0.477 4.405 -0.323 1.00 0.64 C ATOM 72 CG1 ILE A 5 -0.777 4.140 1.159 1.00 1.08 C ATOM 73 CG2 ILE A 5 -1.689 3.961 -1.164 1.00 0.78 C ATOM 74 CD1 ILE A 5 -1.621 5.278 1.725 1.00 1.99 C ATOM 0 H ILE A 5 1.935 5.216 0.203 1.00 0.55 H new ATOM 0 HA ILE A 5 0.723 2.717 -0.812 1.00 0.45 H new ATOM 0 HB ILE A 5 -0.309 5.479 -0.405 1.00 0.64 H new ATOM 0 HG12 ILE A 5 -1.305 3.193 1.269 1.00 1.08 H new ATOM 0 HG13 ILE A 5 0.154 4.052 1.718 1.00 1.08 H new ATOM 0 HG21 ILE A 5 -2.597 4.402 -0.754 1.00 0.78 H new ATOM 0 HG22 ILE A 5 -1.558 4.292 -2.194 1.00 0.78 H new ATOM 0 HG23 ILE A 5 -1.771 2.874 -1.139 1.00 0.78 H new ATOM 0 HD11 ILE A 5 -1.832 5.086 2.777 1.00 1.99 H new ATOM 0 HD12 ILE A 5 -1.076 6.217 1.629 1.00 1.99 H new ATOM 0 HD13 ILE A 5 -2.559 5.345 1.173 1.00 1.99 H new ATOM 86 N PHE A 6 0.920 3.479 -3.320 1.00 0.46 N ATOM 87 CA PHE A 6 1.025 3.977 -4.667 1.00 0.59 C ATOM 88 C PHE A 6 -0.356 4.419 -5.135 1.00 1.12 C ATOM 89 O PHE A 6 -1.362 3.795 -4.792 1.00 1.70 O ATOM 90 CB PHE A 6 1.629 2.890 -5.540 1.00 0.66 C ATOM 91 CG PHE A 6 3.142 2.896 -5.458 1.00 0.66 C ATOM 92 CD1 PHE A 6 3.748 2.616 -4.218 1.00 1.43 C ATOM 93 CD2 PHE A 6 3.883 3.558 -6.454 1.00 1.12 C ATOM 94 CE1 PHE A 6 5.040 3.089 -3.936 1.00 1.78 C ATOM 95 CE2 PHE A 6 5.159 4.066 -6.159 1.00 1.28 C ATOM 96 CZ PHE A 6 5.712 3.878 -4.882 1.00 1.43 C ATOM 0 H PHE A 6 0.724 2.481 -3.243 1.00 0.46 H new ATOM 0 HA PHE A 6 1.680 4.846 -4.728 1.00 0.59 H new ATOM 0 HB2 PHE A 6 1.250 1.917 -5.228 1.00 0.66 H new ATOM 0 HB3 PHE A 6 1.318 3.037 -6.574 1.00 0.66 H new ATOM 0 HD1 PHE A 6 3.216 2.034 -3.480 1.00 1.43 H new ATOM 0 HD2 PHE A 6 3.471 3.676 -7.445 1.00 1.12 H new ATOM 0 HE1 PHE A 6 5.514 2.847 -2.996 1.00 1.78 H new ATOM 0 HE2 PHE A 6 5.715 4.601 -6.915 1.00 1.28 H new ATOM 0 HZ PHE A 6 6.654 4.341 -4.628 1.00 1.43 H new ATOM 106 N GLY A 7 -0.396 5.511 -5.891 1.00 1.46 N ATOM 107 CA GLY A 7 -1.576 6.310 -6.161 1.00 2.23 C ATOM 108 C GLY A 7 -2.654 5.639 -7.001 1.00 1.78 C ATOM 109 O GLY A 7 -2.942 6.094 -8.105 1.00 3.11 O ATOM 0 H GLY A 7 0.437 5.877 -6.353 1.00 1.46 H new ATOM 0 HA2 GLY A 7 -2.016 6.607 -5.209 1.00 2.23 H new ATOM 0 HA3 GLY A 7 -1.265 7.224 -6.667 1.00 2.23 H new ATOM 113 N ARG A 8 -3.299 4.598 -6.487 1.00 1.54 N ATOM 114 CA ARG A 8 -4.557 4.107 -7.020 1.00 2.04 C ATOM 115 C ARG A 8 -5.647 4.385 -5.991 1.00 1.70 C ATOM 116 O ARG A 8 -5.359 4.676 -4.827 1.00 2.88 O ATOM 117 CB ARG A 8 -4.452 2.615 -7.365 1.00 3.78 C ATOM 118 CG ARG A 8 -3.278 2.277 -8.300 1.00 5.46 C ATOM 119 CD ARG A 8 -3.246 3.159 -9.559 1.00 6.03 C ATOM 120 NE ARG A 8 -2.854 2.443 -10.785 1.00 7.88 N ATOM 121 CZ ARG A 8 -3.672 1.688 -11.537 1.00 9.02 C ATOM 122 NH1 ARG A 8 -4.888 1.379 -11.093 1.00 8.81 N ATOM 123 NH2 ARG A 8 -3.265 1.275 -12.733 1.00 10.83 N ATOM 0 H ARG A 8 -2.959 4.070 -5.683 1.00 1.54 H new ATOM 0 HA ARG A 8 -4.807 4.620 -7.949 1.00 2.04 H new ATOM 0 HB2 ARG A 8 -4.346 2.045 -6.442 1.00 3.78 H new ATOM 0 HB3 ARG A 8 -5.382 2.293 -7.833 1.00 3.78 H new ATOM 0 HG2 ARG A 8 -2.341 2.394 -7.756 1.00 5.46 H new ATOM 0 HG3 ARG A 8 -3.346 1.230 -8.597 1.00 5.46 H new ATOM 0 HD2 ARG A 8 -4.233 3.598 -9.707 1.00 6.03 H new ATOM 0 HD3 ARG A 8 -2.552 3.983 -9.395 1.00 6.03 H new ATOM 0 HE ARG A 8 -1.883 2.527 -11.087 1.00 7.88 H new ATOM 0 HH11 ARG A 8 -5.199 1.715 -10.182 1.00 8.81 H new ATOM 0 HH12 ARG A 8 -5.509 0.806 -11.664 1.00 8.81 H new ATOM 0 HH21 ARG A 8 -2.338 1.532 -13.073 1.00 10.83 H new ATOM 0 HH22 ARG A 8 -3.879 0.701 -13.311 1.00 10.83 H new ATOM 137 N SER A 9 -6.899 4.311 -6.424 1.00 1.78 N ATOM 138 CA SER A 9 -8.069 4.381 -5.573 1.00 2.12 C ATOM 139 C SER A 9 -9.141 3.536 -6.255 1.00 1.94 C ATOM 140 O SER A 9 -8.815 2.751 -7.149 1.00 2.81 O ATOM 141 CB SER A 9 -8.490 5.850 -5.393 1.00 2.94 C ATOM 142 OG SER A 9 -9.289 6.003 -4.236 1.00 3.79 O ATOM 0 H SER A 9 -7.130 4.197 -7.411 1.00 1.78 H new ATOM 0 HA SER A 9 -7.885 3.996 -4.570 1.00 2.12 H new ATOM 0 HB2 SER A 9 -7.604 6.480 -5.315 1.00 2.94 H new ATOM 0 HB3 SER A 9 -9.044 6.185 -6.270 1.00 2.94 H new ATOM 0 HG SER A 9 -9.545 6.944 -4.138 1.00 3.79 H new ATOM 148 N GLY A 10 -10.404 3.745 -5.904 1.00 1.85 N ATOM 149 CA GLY A 10 -11.504 3.008 -6.499 1.00 2.04 C ATOM 150 C GLY A 10 -11.723 1.691 -5.761 1.00 2.05 C ATOM 151 O GLY A 10 -10.755 1.057 -5.346 1.00 3.41 O ATOM 0 H GLY A 10 -10.690 4.427 -5.202 1.00 1.85 H new ATOM 0 HA2 GLY A 10 -12.413 3.608 -6.463 1.00 2.04 H new ATOM 0 HA3 GLY A 10 -11.292 2.812 -7.550 1.00 2.04 H new ATOM 155 N CYS A 11 -12.993 1.313 -5.584 1.00 1.59 N ATOM 156 CA CYS A 11 -13.514 0.191 -4.799 1.00 1.46 C ATOM 157 C CYS A 11 -13.329 0.487 -3.313 1.00 1.26 C ATOM 158 O CYS A 11 -12.190 0.572 -2.865 1.00 1.34 O ATOM 159 CB CYS A 11 -12.873 -1.158 -5.156 1.00 1.61 C ATOM 160 SG CYS A 11 -13.938 -2.372 -5.940 1.00 2.35 S ATOM 0 H CYS A 11 -13.751 1.832 -6.027 1.00 1.59 H new ATOM 0 HA CYS A 11 -14.572 0.095 -5.042 1.00 1.46 H new ATOM 0 HB2 CYS A 11 -12.027 -0.969 -5.817 1.00 1.61 H new ATOM 0 HB3 CYS A 11 -12.471 -1.597 -4.243 1.00 1.61 H new ATOM 0 HG CYS A 11 -13.258 -3.453 -6.182 1.00 2.35 H new ATOM 165 N PRO A 12 -14.385 0.618 -2.498 1.00 1.12 N ATOM 166 CA PRO A 12 -14.221 1.034 -1.114 1.00 1.00 C ATOM 167 C PRO A 12 -13.318 0.077 -0.329 1.00 0.99 C ATOM 168 O PRO A 12 -12.486 0.521 0.459 1.00 0.97 O ATOM 169 CB PRO A 12 -15.633 1.186 -0.544 1.00 1.11 C ATOM 170 CG PRO A 12 -16.488 0.307 -1.456 1.00 1.26 C ATOM 171 CD PRO A 12 -15.786 0.400 -2.813 1.00 1.22 C ATOM 0 HA PRO A 12 -13.697 1.987 -1.036 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -15.684 0.855 0.493 1.00 1.11 H new ATOM 0 HB3 PRO A 12 -15.963 2.225 -0.564 1.00 1.11 H new ATOM 0 HG2 PRO A 12 -16.530 -0.721 -1.097 1.00 1.26 H new ATOM 0 HG3 PRO A 12 -17.515 0.667 -1.511 1.00 1.26 H new ATOM 0 HD2 PRO A 12 -15.923 -0.514 -3.391 1.00 1.22 H new ATOM 0 HD3 PRO A 12 -16.188 1.218 -3.410 1.00 1.22 H new ATOM 179 N TYR A 13 -13.425 -1.230 -0.577 1.00 1.06 N ATOM 180 CA TYR A 13 -12.538 -2.222 0.021 1.00 1.09 C ATOM 181 C TYR A 13 -11.072 -1.984 -0.362 1.00 0.98 C ATOM 182 O TYR A 13 -10.159 -2.177 0.432 1.00 1.04 O ATOM 183 CB TYR A 13 -12.965 -3.617 -0.441 1.00 1.31 C ATOM 184 CG TYR A 13 -12.277 -4.739 0.305 1.00 1.29 C ATOM 185 CD1 TYR A 13 -12.576 -4.959 1.660 1.00 2.26 C ATOM 186 CD2 TYR A 13 -11.367 -5.583 -0.353 1.00 2.09 C ATOM 187 CE1 TYR A 13 -12.099 -6.110 2.305 1.00 2.57 C ATOM 188 CE2 TYR A 13 -10.848 -6.702 0.316 1.00 2.56 C ATOM 189 CZ TYR A 13 -11.259 -7.001 1.623 1.00 2.30 C ATOM 190 OH TYR A 13 -10.917 -8.189 2.197 1.00 2.89 O ATOM 0 H TYR A 13 -14.130 -1.627 -1.198 1.00 1.06 H new ATOM 0 HA TYR A 13 -12.616 -2.136 1.105 1.00 1.09 H new ATOM 0 HB2 TYR A 13 -14.043 -3.717 -0.317 1.00 1.31 H new ATOM 0 HB3 TYR A 13 -12.756 -3.718 -1.506 1.00 1.31 H new ATOM 0 HD1 TYR A 13 -13.173 -4.242 2.205 1.00 2.26 H new ATOM 0 HD2 TYR A 13 -11.068 -5.372 -1.369 1.00 2.09 H new ATOM 0 HE1 TYR A 13 -12.379 -6.310 3.329 1.00 2.57 H new ATOM 0 HE2 TYR A 13 -10.128 -7.337 -0.179 1.00 2.56 H new ATOM 0 HH TYR A 13 -10.767 -8.859 1.498 1.00 2.89 H new ATOM 200 N SER A 14 -10.843 -1.595 -1.613 1.00 1.01 N ATOM 201 CA SER A 14 -9.519 -1.328 -2.146 1.00 1.08 C ATOM 202 C SER A 14 -8.973 -0.069 -1.462 1.00 0.92 C ATOM 203 O SER A 14 -7.915 -0.111 -0.834 1.00 0.93 O ATOM 204 CB SER A 14 -9.644 -1.265 -3.678 1.00 1.48 C ATOM 205 OG SER A 14 -8.668 -0.509 -4.350 1.00 1.85 O ATOM 0 H SER A 14 -11.589 -1.455 -2.294 1.00 1.01 H new ATOM 0 HA SER A 14 -8.787 -2.108 -1.936 1.00 1.08 H new ATOM 0 HB2 SER A 14 -9.616 -2.283 -4.066 1.00 1.48 H new ATOM 0 HB3 SER A 14 -10.624 -0.857 -3.925 1.00 1.48 H new ATOM 0 HG SER A 14 -9.101 0.218 -4.845 1.00 1.85 H new ATOM 211 N VAL A 15 -9.726 1.029 -1.517 1.00 0.89 N ATOM 212 CA VAL A 15 -9.413 2.269 -0.812 1.00 0.92 C ATOM 213 C VAL A 15 -9.232 2.011 0.690 1.00 0.74 C ATOM 214 O VAL A 15 -8.469 2.712 1.352 1.00 0.79 O ATOM 215 CB VAL A 15 -10.498 3.320 -1.105 1.00 1.09 C ATOM 216 CG1 VAL A 15 -10.196 4.660 -0.424 1.00 1.35 C ATOM 217 CG2 VAL A 15 -10.585 3.574 -2.615 1.00 1.37 C ATOM 0 H VAL A 15 -10.586 1.081 -2.063 1.00 0.89 H new ATOM 0 HA VAL A 15 -8.464 2.665 -1.174 1.00 0.92 H new ATOM 0 HB VAL A 15 -11.436 2.924 -0.717 1.00 1.09 H new ATOM 0 HG11 VAL A 15 -10.987 5.373 -0.657 1.00 1.35 H new ATOM 0 HG12 VAL A 15 -10.144 4.516 0.655 1.00 1.35 H new ATOM 0 HG13 VAL A 15 -9.242 5.045 -0.785 1.00 1.35 H new ATOM 0 HG21 VAL A 15 -11.355 4.319 -2.815 1.00 1.37 H new ATOM 0 HG22 VAL A 15 -9.624 3.939 -2.979 1.00 1.37 H new ATOM 0 HG23 VAL A 15 -10.838 2.645 -3.126 1.00 1.37 H new ATOM 227 N ARG A 16 -9.866 0.973 1.240 1.00 0.62 N ATOM 228 CA ARG A 16 -9.646 0.608 2.629 1.00 0.57 C ATOM 229 C ARG A 16 -8.166 0.404 2.952 1.00 0.53 C ATOM 230 O ARG A 16 -7.798 0.472 4.110 1.00 0.54 O ATOM 231 CB ARG A 16 -10.442 -0.633 3.044 1.00 0.60 C ATOM 232 CG ARG A 16 -10.795 -0.502 4.533 1.00 1.31 C ATOM 233 CD ARG A 16 -11.386 -1.769 5.160 1.00 1.58 C ATOM 234 NE ARG A 16 -12.810 -1.984 4.874 1.00 1.97 N ATOM 235 CZ ARG A 16 -13.822 -1.297 5.421 1.00 3.08 C ATOM 236 NH1 ARG A 16 -13.595 -0.146 6.048 1.00 4.00 N ATOM 237 NH2 ARG A 16 -15.065 -1.769 5.360 1.00 4.32 N ATOM 0 H ARG A 16 -10.530 0.378 0.744 1.00 0.62 H new ATOM 0 HA ARG A 16 -10.010 1.456 3.209 1.00 0.57 H new ATOM 0 HB2 ARG A 16 -11.348 -0.721 2.445 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -9.856 -1.536 2.870 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -9.896 -0.225 5.083 1.00 1.31 H new ATOM 0 HG3 ARG A 16 -11.507 0.314 4.654 1.00 1.31 H new ATOM 0 HD2 ARG A 16 -10.823 -2.632 4.804 1.00 1.58 H new ATOM 0 HD3 ARG A 16 -11.249 -1.722 6.240 1.00 1.58 H new ATOM 0 HE ARG A 16 -13.048 -2.716 4.205 1.00 1.97 H new ATOM 0 HH11 ARG A 16 -12.645 0.220 6.115 1.00 4.00 H new ATOM 0 HH12 ARG A 16 -14.371 0.371 6.462 1.00 4.00 H new ATOM 0 HH21 ARG A 16 -15.251 -2.658 4.895 1.00 4.32 H new ATOM 0 HH22 ARG A 16 -15.832 -1.242 5.778 1.00 4.32 H new ATOM 251 N ALA A 17 -7.299 0.130 1.981 1.00 0.52 N ATOM 252 CA ALA A 17 -5.868 0.021 2.264 1.00 0.47 C ATOM 253 C ALA A 17 -5.279 1.392 2.623 1.00 0.56 C ATOM 254 O ALA A 17 -4.564 1.549 3.610 1.00 0.61 O ATOM 255 CB ALA A 17 -5.135 -0.600 1.075 1.00 0.44 C ATOM 0 H ALA A 17 -7.555 -0.019 1.005 1.00 0.52 H new ATOM 0 HA ALA A 17 -5.734 -0.634 3.125 1.00 0.47 H new ATOM 0 HB1 ALA A 17 -4.071 -0.674 1.302 1.00 0.44 H new ATOM 0 HB2 ALA A 17 -5.535 -1.595 0.881 1.00 0.44 H new ATOM 0 HB3 ALA A 17 -5.275 0.026 0.194 1.00 0.44 H new ATOM 261 N LYS A 18 -5.584 2.388 1.791 1.00 0.65 N ATOM 262 CA LYS A 18 -5.242 3.793 1.988 1.00 0.85 C ATOM 263 C LYS A 18 -5.760 4.243 3.343 1.00 0.94 C ATOM 264 O LYS A 18 -5.037 4.863 4.123 1.00 1.11 O ATOM 265 CB LYS A 18 -5.847 4.569 0.792 1.00 1.08 C ATOM 266 CG LYS A 18 -6.262 6.045 0.920 1.00 1.62 C ATOM 267 CD LYS A 18 -5.126 7.068 0.797 1.00 1.56 C ATOM 268 CE LYS A 18 -4.511 7.480 2.137 1.00 1.97 C ATOM 269 NZ LYS A 18 -5.451 8.196 3.026 1.00 2.01 N ATOM 0 H LYS A 18 -6.098 2.229 0.925 1.00 0.65 H new ATOM 0 HA LYS A 18 -4.168 3.977 2.005 1.00 0.85 H new ATOM 0 HB2 LYS A 18 -5.123 4.513 -0.021 1.00 1.08 H new ATOM 0 HB3 LYS A 18 -6.731 4.018 0.471 1.00 1.08 H new ATOM 0 HG2 LYS A 18 -7.006 6.262 0.154 1.00 1.62 H new ATOM 0 HG3 LYS A 18 -6.749 6.184 1.885 1.00 1.62 H new ATOM 0 HD2 LYS A 18 -4.343 6.652 0.162 1.00 1.56 H new ATOM 0 HD3 LYS A 18 -5.505 7.958 0.294 1.00 1.56 H new ATOM 0 HE2 LYS A 18 -4.147 6.589 2.649 1.00 1.97 H new ATOM 0 HE3 LYS A 18 -3.646 8.116 1.950 1.00 1.97 H new ATOM 0 HZ1 LYS A 18 -4.934 8.577 3.844 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 -5.896 8.977 2.503 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 -6.185 7.538 3.357 1.00 2.01 H new ATOM 283 N ASP A 19 -7.017 3.919 3.610 1.00 0.86 N ATOM 284 CA ASP A 19 -7.603 4.159 4.916 1.00 0.86 C ATOM 285 C ASP A 19 -6.788 3.471 6.012 1.00 0.85 C ATOM 286 O ASP A 19 -6.233 4.140 6.875 1.00 1.04 O ATOM 287 CB ASP A 19 -9.072 3.740 4.897 1.00 0.86 C ATOM 288 CG ASP A 19 -9.815 4.248 6.107 1.00 1.21 C ATOM 289 OD1 ASP A 19 -9.758 5.468 6.363 1.00 2.68 O ATOM 290 OD2 ASP A 19 -10.540 3.420 6.691 1.00 1.62 O ATOM 0 H ASP A 19 -7.650 3.488 2.936 1.00 0.86 H new ATOM 0 HA ASP A 19 -7.573 5.223 5.150 1.00 0.86 H new ATOM 0 HB2 ASP A 19 -9.547 4.121 3.993 1.00 0.86 H new ATOM 0 HB3 ASP A 19 -9.139 2.653 4.859 1.00 0.86 H new ATOM 295 N LEU A 20 -6.669 2.145 5.951 1.00 0.72 N ATOM 296 CA LEU A 20 -5.982 1.291 6.916 1.00 0.70 C ATOM 297 C LEU A 20 -4.644 1.896 7.321 1.00 0.63 C ATOM 298 O LEU A 20 -4.358 2.023 8.506 1.00 0.62 O ATOM 299 CB LEU A 20 -5.795 -0.123 6.342 1.00 0.71 C ATOM 300 CG LEU A 20 -5.143 -1.127 7.307 1.00 0.75 C ATOM 301 CD1 LEU A 20 -5.894 -1.240 8.638 1.00 1.62 C ATOM 302 CD2 LEU A 20 -5.077 -2.527 6.685 1.00 1.87 C ATOM 0 H LEU A 20 -7.073 1.609 5.183 1.00 0.72 H new ATOM 0 HA LEU A 20 -6.599 1.218 7.811 1.00 0.70 H new ATOM 0 HB2 LEU A 20 -6.768 -0.510 6.040 1.00 0.71 H new ATOM 0 HB3 LEU A 20 -5.185 -0.057 5.441 1.00 0.71 H new ATOM 0 HG LEU A 20 -4.141 -0.743 7.496 1.00 0.75 H new ATOM 0 HD11 LEU A 20 -5.390 -1.962 9.280 1.00 1.62 H new ATOM 0 HD12 LEU A 20 -5.911 -0.267 9.130 1.00 1.62 H new ATOM 0 HD13 LEU A 20 -6.916 -1.571 8.452 1.00 1.62 H new ATOM 0 HD21 LEU A 20 -4.611 -3.216 7.389 1.00 1.87 H new ATOM 0 HD22 LEU A 20 -6.085 -2.870 6.454 1.00 1.87 H new ATOM 0 HD23 LEU A 20 -4.487 -2.491 5.769 1.00 1.87 H new ATOM 314 N ALA A 21 -3.827 2.280 6.342 1.00 0.61 N ATOM 315 CA ALA A 21 -2.527 2.880 6.626 1.00 0.59 C ATOM 316 C ALA A 21 -2.663 4.121 7.498 1.00 0.48 C ATOM 317 O ALA A 21 -1.888 4.259 8.438 1.00 0.48 O ATOM 318 CB ALA A 21 -1.820 3.259 5.319 1.00 0.69 C ATOM 0 H ALA A 21 -4.042 2.186 5.349 1.00 0.61 H new ATOM 0 HA ALA A 21 -1.937 2.139 7.165 1.00 0.59 H new ATOM 0 HB1 ALA A 21 -0.852 3.705 5.545 1.00 0.69 H new ATOM 0 HB2 ALA A 21 -1.675 2.366 4.712 1.00 0.69 H new ATOM 0 HB3 ALA A 21 -2.430 3.976 4.770 1.00 0.69 H new ATOM 324 N GLU A 22 -3.612 5.019 7.217 1.00 0.47 N ATOM 325 CA GLU A 22 -3.869 6.115 8.150 1.00 0.50 C ATOM 326 C GLU A 22 -4.098 5.537 9.546 1.00 0.61 C ATOM 327 O GLU A 22 -3.413 5.910 10.494 1.00 0.79 O ATOM 328 CB GLU A 22 -5.056 6.990 7.704 1.00 0.77 C ATOM 329 CG GLU A 22 -5.373 8.074 8.741 1.00 1.16 C ATOM 330 CD GLU A 22 -6.700 8.731 8.471 1.00 1.64 C ATOM 331 OE1 GLU A 22 -6.712 9.701 7.689 1.00 2.04 O ATOM 332 OE2 GLU A 22 -7.722 8.261 9.007 1.00 2.60 O ATOM 0 H GLU A 22 -4.196 5.011 6.381 1.00 0.47 H new ATOM 0 HA GLU A 22 -2.998 6.770 8.167 1.00 0.50 H new ATOM 0 HB2 GLU A 22 -4.826 7.457 6.746 1.00 0.77 H new ATOM 0 HB3 GLU A 22 -5.934 6.363 7.550 1.00 0.77 H new ATOM 0 HG2 GLU A 22 -5.381 7.633 9.738 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -4.585 8.827 8.732 1.00 1.16 H new ATOM 339 N LYS A 23 -5.069 4.635 9.667 1.00 0.68 N ATOM 340 CA LYS A 23 -5.529 4.156 10.965 1.00 0.89 C ATOM 341 C LYS A 23 -4.345 3.641 11.768 1.00 0.89 C ATOM 342 O LYS A 23 -4.064 4.121 12.865 1.00 0.99 O ATOM 343 CB LYS A 23 -6.630 3.088 10.827 1.00 1.10 C ATOM 344 CG LYS A 23 -7.576 3.317 9.644 1.00 2.51 C ATOM 345 CD LYS A 23 -8.093 4.759 9.521 1.00 3.77 C ATOM 346 CE LYS A 23 -9.532 4.823 10.039 1.00 4.62 C ATOM 347 NZ LYS A 23 -9.863 6.143 10.605 1.00 5.73 N ATOM 0 H LYS A 23 -5.555 4.219 8.873 1.00 0.68 H new ATOM 0 HA LYS A 23 -5.979 4.991 11.501 1.00 0.89 H new ATOM 0 HB2 LYS A 23 -6.161 2.110 10.720 1.00 1.10 H new ATOM 0 HB3 LYS A 23 -7.215 3.063 11.747 1.00 1.10 H new ATOM 0 HG2 LYS A 23 -7.059 3.048 8.723 1.00 2.51 H new ATOM 0 HG3 LYS A 23 -8.428 2.644 9.739 1.00 2.51 H new ATOM 0 HD2 LYS A 23 -7.458 5.436 10.092 1.00 3.77 H new ATOM 0 HD3 LYS A 23 -8.053 5.085 8.482 1.00 3.77 H new ATOM 0 HE2 LYS A 23 -10.220 4.596 9.224 1.00 4.62 H new ATOM 0 HE3 LYS A 23 -9.676 4.057 10.801 1.00 4.62 H new ATOM 0 HZ1 LYS A 23 -10.866 6.354 10.430 1.00 5.73 H new ATOM 0 HZ2 LYS A 23 -9.685 6.136 11.630 1.00 5.73 H new ATOM 0 HZ3 LYS A 23 -9.272 6.871 10.156 1.00 5.73 H new ATOM 361 N LEU A 24 -3.619 2.714 11.161 1.00 0.81 N ATOM 362 CA LEU A 24 -2.425 2.109 11.698 1.00 0.90 C ATOM 363 C LEU A 24 -1.373 3.165 12.014 1.00 0.91 C ATOM 364 O LEU A 24 -0.733 3.124 13.063 1.00 1.00 O ATOM 365 CB LEU A 24 -1.913 1.139 10.635 1.00 0.94 C ATOM 366 CG LEU A 24 -2.798 -0.107 10.497 1.00 1.21 C ATOM 367 CD1 LEU A 24 -2.215 -0.948 9.368 1.00 1.37 C ATOM 368 CD2 LEU A 24 -2.879 -0.953 11.774 1.00 1.58 C ATOM 0 H LEU A 24 -3.863 2.352 10.239 1.00 0.81 H new ATOM 0 HA LEU A 24 -2.640 1.591 12.633 1.00 0.90 H new ATOM 0 HB2 LEU A 24 -1.862 1.652 9.675 1.00 0.94 H new ATOM 0 HB3 LEU A 24 -0.898 0.833 10.887 1.00 0.94 H new ATOM 0 HG LEU A 24 -3.817 0.221 10.293 1.00 1.21 H new ATOM 0 HD11 LEU A 24 -2.817 -1.847 9.236 1.00 1.37 H new ATOM 0 HD12 LEU A 24 -2.219 -0.370 8.444 1.00 1.37 H new ATOM 0 HD13 LEU A 24 -1.191 -1.229 9.615 1.00 1.37 H new ATOM 0 HD21 LEU A 24 -3.522 -1.816 11.599 1.00 1.58 H new ATOM 0 HD22 LEU A 24 -1.881 -1.294 12.048 1.00 1.58 H new ATOM 0 HD23 LEU A 24 -3.292 -0.351 12.584 1.00 1.58 H new ATOM 380 N SER A 25 -1.183 4.115 11.106 1.00 0.91 N ATOM 381 CA SER A 25 -0.111 5.086 11.251 1.00 1.05 C ATOM 382 C SER A 25 -0.457 6.099 12.345 1.00 1.07 C ATOM 383 O SER A 25 0.431 6.769 12.863 1.00 1.27 O ATOM 384 CB SER A 25 0.166 5.738 9.896 1.00 1.20 C ATOM 385 OG SER A 25 1.334 6.529 9.928 1.00 1.64 O ATOM 0 H SER A 25 -1.754 4.232 10.269 1.00 0.91 H new ATOM 0 HA SER A 25 0.807 4.593 11.569 1.00 1.05 H new ATOM 0 HB2 SER A 25 0.270 4.965 9.135 1.00 1.20 H new ATOM 0 HB3 SER A 25 -0.685 6.356 9.609 1.00 1.20 H new ATOM 0 HG SER A 25 2.069 6.012 10.320 1.00 1.64 H new ATOM 391 N ASN A 26 -1.743 6.227 12.679 1.00 1.03 N ATOM 392 CA ASN A 26 -2.216 7.048 13.778 1.00 1.14 C ATOM 393 C ASN A 26 -2.301 6.232 15.065 1.00 1.14 C ATOM 394 O ASN A 26 -2.189 6.809 16.147 1.00 1.35 O ATOM 395 CB ASN A 26 -3.563 7.705 13.441 1.00 1.24 C ATOM 396 CG ASN A 26 -3.548 8.557 12.172 1.00 1.48 C ATOM 397 OD1 ASN A 26 -2.507 8.822 11.578 1.00 2.40 O ATOM 398 ND2 ASN A 26 -4.711 9.031 11.743 1.00 1.65 N ATOM 0 H ASN A 26 -2.493 5.751 12.179 1.00 1.03 H new ATOM 0 HA ASN A 26 -1.494 7.849 13.937 1.00 1.14 H new ATOM 0 HB2 ASN A 26 -4.317 6.925 13.332 1.00 1.24 H new ATOM 0 HB3 ASN A 26 -3.869 8.330 14.280 1.00 1.24 H new ATOM 0 HD21 ASN A 26 -4.746 9.622 10.912 1.00 1.65 H new ATOM 0 HD22 ASN A 26 -5.570 8.805 12.244 1.00 1.65 H new ATOM 405 N GLU A 27 -2.500 4.911 14.989 1.00 1.09 N ATOM 406 CA GLU A 27 -2.609 4.094 16.190 1.00 1.19 C ATOM 407 C GLU A 27 -1.199 3.979 16.770 1.00 1.16 C ATOM 408 O GLU A 27 -0.990 4.209 17.964 1.00 1.52 O ATOM 409 CB GLU A 27 -3.297 2.734 15.902 1.00 1.32 C ATOM 410 CG GLU A 27 -2.381 1.524 15.631 1.00 2.55 C ATOM 411 CD GLU A 27 -3.118 0.240 15.317 1.00 3.40 C ATOM 412 OE1 GLU A 27 -4.354 0.189 15.509 1.00 3.24 O ATOM 413 OE2 GLU A 27 -2.439 -0.759 15.004 1.00 4.85 O ATOM 0 H GLU A 27 -2.587 4.394 14.114 1.00 1.09 H new ATOM 0 HA GLU A 27 -3.261 4.554 16.933 1.00 1.19 H new ATOM 0 HB2 GLU A 27 -3.934 2.491 16.752 1.00 1.32 H new ATOM 0 HB3 GLU A 27 -3.951 2.862 15.040 1.00 1.32 H new ATOM 0 HG2 GLU A 27 -1.721 1.763 14.797 1.00 2.55 H new ATOM 0 HG3 GLU A 27 -1.747 1.361 16.503 1.00 2.55 H new ATOM 420 N ARG A 28 -0.234 3.673 15.903 1.00 1.03 N ATOM 421 CA ARG A 28 1.180 3.650 16.223 1.00 1.07 C ATOM 422 C ARG A 28 1.738 5.071 16.099 1.00 1.19 C ATOM 423 O ARG A 28 1.026 6.002 15.734 1.00 1.39 O ATOM 424 CB ARG A 28 1.885 2.633 15.311 1.00 0.99 C ATOM 425 CG ARG A 28 1.439 1.218 15.721 1.00 1.46 C ATOM 426 CD ARG A 28 1.365 0.238 14.545 1.00 1.57 C ATOM 427 NE ARG A 28 0.287 -0.744 14.752 1.00 2.63 N ATOM 428 CZ ARG A 28 0.391 -1.977 15.263 1.00 3.54 C ATOM 429 NH1 ARG A 28 1.509 -2.409 15.837 1.00 4.00 N ATOM 430 NH2 ARG A 28 -0.655 -2.785 15.196 1.00 4.91 N ATOM 0 H ARG A 28 -0.428 3.428 14.932 1.00 1.03 H new ATOM 0 HA ARG A 28 1.355 3.327 17.249 1.00 1.07 H new ATOM 0 HB2 ARG A 28 1.633 2.822 14.267 1.00 0.99 H new ATOM 0 HB3 ARG A 28 2.967 2.730 15.401 1.00 0.99 H new ATOM 0 HG2 ARG A 28 2.133 0.828 16.466 1.00 1.46 H new ATOM 0 HG3 ARG A 28 0.460 1.277 16.197 1.00 1.46 H new ATOM 0 HD2 ARG A 28 1.191 0.786 13.619 1.00 1.57 H new ATOM 0 HD3 ARG A 28 2.318 -0.279 14.436 1.00 1.57 H new ATOM 0 HE ARG A 28 -0.649 -0.450 14.473 1.00 2.63 H new ATOM 0 HH11 ARG A 28 2.321 -1.795 15.898 1.00 4.00 H new ATOM 0 HH12 ARG A 28 1.555 -3.355 16.217 1.00 4.00 H new ATOM 0 HH21 ARG A 28 -1.520 -2.464 14.761 1.00 4.91 H new ATOM 0 HH22 ARG A 28 -0.596 -3.728 15.579 1.00 4.91 H new ATOM 444 N ASP A 29 3.020 5.219 16.427 1.00 1.31 N ATOM 445 CA ASP A 29 3.808 6.440 16.297 1.00 1.59 C ATOM 446 C ASP A 29 5.204 5.997 15.877 1.00 1.06 C ATOM 447 O ASP A 29 6.199 6.591 16.290 1.00 1.57 O ATOM 448 CB ASP A 29 3.943 7.188 17.638 1.00 2.27 C ATOM 449 CG ASP A 29 2.654 7.725 18.205 1.00 3.61 C ATOM 450 OD1 ASP A 29 2.161 8.737 17.662 1.00 4.59 O ATOM 451 OD2 ASP A 29 2.226 7.183 19.247 1.00 4.48 O ATOM 0 H ASP A 29 3.565 4.447 16.811 1.00 1.31 H new ATOM 0 HA ASP A 29 3.325 7.109 15.585 1.00 1.59 H new ATOM 0 HB2 ASP A 29 4.390 6.514 18.369 1.00 2.27 H new ATOM 0 HB3 ASP A 29 4.637 8.018 17.505 1.00 2.27 H new ATOM 456 N ASP A 30 5.307 4.855 15.196 1.00 0.95 N ATOM 457 CA ASP A 30 6.562 4.398 14.631 1.00 1.43 C ATOM 458 C ASP A 30 6.503 4.783 13.171 1.00 1.21 C ATOM 459 O ASP A 30 7.140 5.738 12.746 1.00 1.37 O ATOM 460 CB ASP A 30 6.762 2.883 14.777 1.00 2.39 C ATOM 461 CG ASP A 30 7.868 2.418 13.840 1.00 2.72 C ATOM 462 OD1 ASP A 30 8.925 3.082 13.787 1.00 3.17 O ATOM 463 OD2 ASP A 30 7.660 1.405 13.144 1.00 3.53 O ATOM 0 H ASP A 30 4.521 4.228 15.025 1.00 0.95 H new ATOM 0 HA ASP A 30 7.404 4.851 15.155 1.00 1.43 H new ATOM 0 HB2 ASP A 30 7.019 2.638 15.808 1.00 2.39 H new ATOM 0 HB3 ASP A 30 5.834 2.360 14.547 1.00 2.39 H new ATOM 468 N PHE A 31 5.715 4.034 12.412 1.00 1.08 N ATOM 469 CA PHE A 31 5.729 4.129 10.993 1.00 0.94 C ATOM 470 C PHE A 31 4.823 5.271 10.567 1.00 0.87 C ATOM 471 O PHE A 31 3.671 5.360 10.995 1.00 1.25 O ATOM 472 CB PHE A 31 5.347 2.753 10.450 1.00 0.97 C ATOM 473 CG PHE A 31 3.898 2.289 10.482 1.00 0.78 C ATOM 474 CD1 PHE A 31 2.990 2.781 9.524 1.00 1.64 C ATOM 475 CD2 PHE A 31 3.572 1.128 11.210 1.00 2.19 C ATOM 476 CE1 PHE A 31 1.814 2.071 9.231 1.00 1.77 C ATOM 477 CE2 PHE A 31 2.411 0.403 10.893 1.00 2.78 C ATOM 478 CZ PHE A 31 1.575 0.836 9.851 1.00 2.02 C ATOM 0 H PHE A 31 5.055 3.349 12.781 1.00 1.08 H new ATOM 0 HA PHE A 31 6.707 4.375 10.580 1.00 0.94 H new ATOM 0 HB2 PHE A 31 5.675 2.714 9.411 1.00 0.97 H new ATOM 0 HB3 PHE A 31 5.934 2.016 10.998 1.00 0.97 H new ATOM 0 HD1 PHE A 31 3.199 3.709 9.012 1.00 1.64 H new ATOM 0 HD2 PHE A 31 4.214 0.795 12.012 1.00 2.19 H new ATOM 0 HE1 PHE A 31 1.097 2.474 8.531 1.00 1.77 H new ATOM 0 HE2 PHE A 31 2.161 -0.487 11.451 1.00 2.78 H new ATOM 0 HZ PHE A 31 0.750 0.219 9.528 1.00 2.02 H new ATOM 488 N GLN A 32 5.327 6.155 9.719 1.00 0.71 N ATOM 489 CA GLN A 32 4.470 7.045 8.971 1.00 0.71 C ATOM 490 C GLN A 32 4.014 6.256 7.753 1.00 0.63 C ATOM 491 O GLN A 32 4.582 5.213 7.416 1.00 0.71 O ATOM 492 CB GLN A 32 5.223 8.319 8.566 1.00 0.92 C ATOM 493 CG GLN A 32 5.122 9.416 9.634 1.00 1.41 C ATOM 494 CD GLN A 32 6.050 9.211 10.830 1.00 1.90 C ATOM 495 OE1 GLN A 32 7.002 9.968 11.013 1.00 3.08 O ATOM 496 NE2 GLN A 32 5.774 8.229 11.677 1.00 2.95 N ATOM 0 H GLN A 32 6.324 6.271 9.536 1.00 0.71 H new ATOM 0 HA GLN A 32 3.618 7.376 9.565 1.00 0.71 H new ATOM 0 HB2 GLN A 32 6.272 8.079 8.392 1.00 0.92 H new ATOM 0 HB3 GLN A 32 4.821 8.693 7.624 1.00 0.92 H new ATOM 0 HG2 GLN A 32 5.348 10.378 9.174 1.00 1.41 H new ATOM 0 HG3 GLN A 32 4.093 9.467 9.991 1.00 1.41 H new ATOM 0 HE21 GLN A 32 4.979 7.614 11.503 1.00 2.95 H new ATOM 0 HE22 GLN A 32 6.357 8.088 12.502 1.00 2.95 H new ATOM 505 N TYR A 33 2.993 6.748 7.069 1.00 0.69 N ATOM 506 CA TYR A 33 2.738 6.332 5.710 1.00 0.63 C ATOM 507 C TYR A 33 3.104 7.509 4.804 1.00 0.48 C ATOM 508 O TYR A 33 3.492 8.576 5.291 1.00 0.72 O ATOM 509 CB TYR A 33 1.293 5.815 5.603 1.00 0.80 C ATOM 510 CG TYR A 33 0.217 6.837 5.350 1.00 0.75 C ATOM 511 CD1 TYR A 33 -0.123 7.141 4.021 1.00 1.82 C ATOM 512 CD2 TYR A 33 -0.595 7.290 6.403 1.00 1.86 C ATOM 513 CE1 TYR A 33 -1.308 7.829 3.742 1.00 1.79 C ATOM 514 CE2 TYR A 33 -1.779 7.985 6.117 1.00 1.92 C ATOM 515 CZ TYR A 33 -2.168 8.176 4.785 1.00 0.86 C ATOM 516 OH TYR A 33 -3.319 8.845 4.498 1.00 1.06 O ATOM 0 H TYR A 33 2.333 7.433 7.436 1.00 0.69 H new ATOM 0 HA TYR A 33 3.349 5.490 5.384 1.00 0.63 H new ATOM 0 HB2 TYR A 33 1.256 5.078 4.800 1.00 0.80 H new ATOM 0 HB3 TYR A 33 1.052 5.291 6.528 1.00 0.80 H new ATOM 0 HD1 TYR A 33 0.531 6.843 3.215 1.00 1.82 H new ATOM 0 HD2 TYR A 33 -0.309 7.104 7.428 1.00 1.86 H new ATOM 0 HE1 TYR A 33 -1.557 8.091 2.724 1.00 1.79 H new ATOM 0 HE2 TYR A 33 -2.388 8.371 6.921 1.00 1.92 H new ATOM 0 HH TYR A 33 -3.814 9.015 5.327 1.00 1.06 H new ATOM 526 N GLN A 34 3.020 7.339 3.493 1.00 0.68 N ATOM 527 CA GLN A 34 2.981 8.459 2.573 1.00 0.64 C ATOM 528 C GLN A 34 2.296 7.965 1.313 1.00 0.55 C ATOM 529 O GLN A 34 2.435 6.799 0.957 1.00 0.66 O ATOM 530 CB GLN A 34 4.390 9.000 2.320 1.00 0.81 C ATOM 531 CG GLN A 34 4.387 10.423 1.749 1.00 1.66 C ATOM 532 CD GLN A 34 5.692 11.174 2.027 1.00 2.36 C ATOM 533 OE1 GLN A 34 6.343 10.988 3.057 1.00 3.45 O ATOM 534 NE2 GLN A 34 6.050 12.095 1.147 1.00 2.81 N ATOM 0 H GLN A 34 2.977 6.425 3.042 1.00 0.68 H new ATOM 0 HA GLN A 34 2.421 9.300 2.981 1.00 0.64 H new ATOM 0 HB2 GLN A 34 4.951 8.990 3.254 1.00 0.81 H new ATOM 0 HB3 GLN A 34 4.910 8.337 1.628 1.00 0.81 H new ATOM 0 HG2 GLN A 34 4.221 10.378 0.673 1.00 1.66 H new ATOM 0 HG3 GLN A 34 3.554 10.980 2.177 1.00 1.66 H new ATOM 0 HE21 GLN A 34 5.498 12.234 0.301 1.00 2.81 H new ATOM 0 HE22 GLN A 34 6.878 12.666 1.315 1.00 2.81 H new ATOM 543 N TYR A 35 1.500 8.812 0.676 1.00 0.61 N ATOM 544 CA TYR A 35 0.730 8.417 -0.492 1.00 0.58 C ATOM 545 C TYR A 35 1.378 9.064 -1.700 1.00 0.60 C ATOM 546 O TYR A 35 1.439 10.288 -1.806 1.00 0.85 O ATOM 547 CB TYR A 35 -0.737 8.760 -0.267 1.00 0.65 C ATOM 548 CG TYR A 35 -1.794 8.317 -1.264 1.00 0.74 C ATOM 549 CD1 TYR A 35 -1.669 7.172 -2.068 1.00 1.82 C ATOM 550 CD2 TYR A 35 -2.967 9.093 -1.358 1.00 1.99 C ATOM 551 CE1 TYR A 35 -2.773 6.706 -2.800 1.00 1.89 C ATOM 552 CE2 TYR A 35 -3.997 8.720 -2.235 1.00 2.03 C ATOM 553 CZ TYR A 35 -3.910 7.513 -2.938 1.00 1.03 C ATOM 554 OH TYR A 35 -4.873 7.181 -3.843 1.00 1.36 O ATOM 0 H TYR A 35 1.371 9.785 0.953 1.00 0.61 H new ATOM 0 HA TYR A 35 0.737 7.342 -0.672 1.00 0.58 H new ATOM 0 HB2 TYR A 35 -1.018 8.350 0.703 1.00 0.65 H new ATOM 0 HB3 TYR A 35 -0.805 9.845 -0.187 1.00 0.65 H new ATOM 0 HD1 TYR A 35 -0.725 6.651 -2.123 1.00 1.82 H new ATOM 0 HD2 TYR A 35 -3.074 9.980 -0.751 1.00 1.99 H new ATOM 0 HE1 TYR A 35 -2.746 5.727 -3.256 1.00 1.89 H new ATOM 0 HE2 TYR A 35 -4.855 9.363 -2.367 1.00 2.03 H new ATOM 0 HH TYR A 35 -4.832 6.219 -4.026 1.00 1.36 H new ATOM 564 N VAL A 36 1.942 8.213 -2.535 1.00 0.83 N ATOM 565 CA VAL A 36 2.792 8.524 -3.663 1.00 1.11 C ATOM 566 C VAL A 36 1.919 8.465 -4.912 1.00 1.30 C ATOM 567 O VAL A 36 1.557 7.391 -5.393 1.00 1.51 O ATOM 568 CB VAL A 36 3.963 7.524 -3.651 1.00 1.11 C ATOM 569 CG1 VAL A 36 4.692 7.463 -5.002 1.00 1.35 C ATOM 570 CG2 VAL A 36 4.964 7.974 -2.578 1.00 1.16 C ATOM 0 H VAL A 36 1.805 7.207 -2.432 1.00 0.83 H new ATOM 0 HA VAL A 36 3.233 9.520 -3.629 1.00 1.11 H new ATOM 0 HB VAL A 36 3.561 6.532 -3.444 1.00 1.11 H new ATOM 0 HG11 VAL A 36 5.509 6.744 -4.942 1.00 1.35 H new ATOM 0 HG12 VAL A 36 3.993 7.154 -5.779 1.00 1.35 H new ATOM 0 HG13 VAL A 36 5.092 8.448 -5.244 1.00 1.35 H new ATOM 0 HG21 VAL A 36 5.804 7.280 -2.550 1.00 1.16 H new ATOM 0 HG22 VAL A 36 5.327 8.974 -2.816 1.00 1.16 H new ATOM 0 HG23 VAL A 36 4.473 7.988 -1.605 1.00 1.16 H new ATOM 580 N ASP A 37 1.531 9.630 -5.421 1.00 1.47 N ATOM 581 CA ASP A 37 0.541 9.717 -6.475 1.00 1.59 C ATOM 582 C ASP A 37 1.161 9.270 -7.790 1.00 1.44 C ATOM 583 O ASP A 37 2.233 9.739 -8.172 1.00 1.66 O ATOM 584 CB ASP A 37 0.034 11.150 -6.635 1.00 2.04 C ATOM 585 CG ASP A 37 -0.614 11.691 -5.381 1.00 2.88 C ATOM 586 OD1 ASP A 37 0.117 11.922 -4.398 1.00 4.22 O ATOM 587 OD2 ASP A 37 -1.843 11.898 -5.390 1.00 2.84 O ATOM 0 H ASP A 37 1.895 10.532 -5.113 1.00 1.47 H new ATOM 0 HA ASP A 37 -0.297 9.073 -6.208 1.00 1.59 H new ATOM 0 HB2 ASP A 37 0.867 11.795 -6.914 1.00 2.04 H new ATOM 0 HB3 ASP A 37 -0.685 11.186 -7.453 1.00 2.04 H new ATOM 592 N ILE A 38 0.464 8.428 -8.547 1.00 1.42 N ATOM 593 CA ILE A 38 0.895 8.098 -9.888 1.00 1.48 C ATOM 594 C ILE A 38 0.774 9.316 -10.810 1.00 1.88 C ATOM 595 O ILE A 38 1.369 9.319 -11.885 1.00 1.67 O ATOM 596 CB ILE A 38 0.101 6.899 -10.427 1.00 1.77 C ATOM 597 CG1 ILE A 38 -1.348 7.284 -10.788 1.00 2.45 C ATOM 598 CG2 ILE A 38 0.187 5.698 -9.463 1.00 1.73 C ATOM 599 CD1 ILE A 38 -1.992 6.256 -11.711 1.00 2.58 C ATOM 0 H ILE A 38 -0.396 7.967 -8.251 1.00 1.42 H new ATOM 0 HA ILE A 38 1.947 7.813 -9.858 1.00 1.48 H new ATOM 0 HB ILE A 38 0.563 6.582 -11.362 1.00 1.77 H new ATOM 0 HG12 ILE A 38 -1.938 7.374 -9.876 1.00 2.45 H new ATOM 0 HG13 ILE A 38 -1.355 8.261 -11.271 1.00 2.45 H new ATOM 0 HG21 ILE A 38 -0.384 4.863 -9.870 1.00 1.73 H new ATOM 0 HG22 ILE A 38 1.229 5.401 -9.344 1.00 1.73 H new ATOM 0 HG23 ILE A 38 -0.223 5.980 -8.493 1.00 1.73 H new ATOM 0 HD11 ILE A 38 -3.012 6.563 -11.942 1.00 2.58 H new ATOM 0 HD12 ILE A 38 -1.417 6.185 -12.634 1.00 2.58 H new ATOM 0 HD13 ILE A 38 -2.009 5.284 -11.218 1.00 2.58 H new ATOM 611 N ARG A 39 -0.028 10.328 -10.448 1.00 2.52 N ATOM 612 CA ARG A 39 -0.396 11.446 -11.319 1.00 2.87 C ATOM 613 C ARG A 39 0.723 12.483 -11.426 1.00 2.88 C ATOM 614 O ARG A 39 0.491 13.688 -11.498 1.00 3.58 O ATOM 615 CB ARG A 39 -1.719 12.063 -10.825 1.00 3.71 C ATOM 616 CG ARG A 39 -1.502 12.892 -9.549 1.00 5.40 C ATOM 617 CD ARG A 39 -2.611 12.738 -8.508 1.00 5.86 C ATOM 618 NE ARG A 39 -3.729 13.665 -8.724 1.00 6.88 N ATOM 619 CZ ARG A 39 -3.865 14.838 -8.085 1.00 8.28 C ATOM 620 NH1 ARG A 39 -2.836 15.428 -7.480 1.00 8.93 N ATOM 621 NH2 ARG A 39 -5.064 15.402 -8.026 1.00 9.38 N ATOM 0 H ARG A 39 -0.446 10.390 -9.520 1.00 2.52 H new ATOM 0 HA ARG A 39 -0.545 11.069 -12.331 1.00 2.87 H new ATOM 0 HB2 ARG A 39 -2.142 12.695 -11.605 1.00 3.71 H new ATOM 0 HB3 ARG A 39 -2.442 11.271 -10.629 1.00 3.71 H new ATOM 0 HG2 ARG A 39 -0.553 12.603 -9.098 1.00 5.40 H new ATOM 0 HG3 ARG A 39 -1.418 13.944 -9.822 1.00 5.40 H new ATOM 0 HD2 ARG A 39 -2.985 11.714 -8.531 1.00 5.86 H new ATOM 0 HD3 ARG A 39 -2.195 12.903 -7.514 1.00 5.86 H new ATOM 0 HE ARG A 39 -4.446 13.402 -9.400 1.00 6.88 H new ATOM 0 HH11 ARG A 39 -1.916 14.989 -7.495 1.00 8.93 H new ATOM 0 HH12 ARG A 39 -2.968 16.319 -7.002 1.00 8.93 H new ATOM 0 HH21 ARG A 39 -5.865 14.945 -8.462 1.00 9.38 H new ATOM 0 HH22 ARG A 39 -5.185 16.293 -7.545 1.00 9.38 H new ATOM 635 N ALA A 40 1.961 12.027 -11.428 1.00 2.71 N ATOM 636 CA ALA A 40 3.146 12.839 -11.277 1.00 3.00 C ATOM 637 C ALA A 40 4.304 11.970 -11.735 1.00 2.68 C ATOM 638 O ALA A 40 5.066 12.350 -12.621 1.00 3.05 O ATOM 639 CB ALA A 40 3.267 13.241 -9.807 1.00 3.10 C ATOM 0 H ALA A 40 2.174 11.036 -11.540 1.00 2.71 H new ATOM 0 HA ALA A 40 3.123 13.758 -11.863 1.00 3.00 H new ATOM 0 HB1 ALA A 40 4.157 13.856 -9.670 1.00 3.10 H new ATOM 0 HB2 ALA A 40 2.385 13.808 -9.511 1.00 3.10 H new ATOM 0 HB3 ALA A 40 3.346 12.346 -9.190 1.00 3.10 H new ATOM 645 N GLU A 41 4.400 10.777 -11.155 1.00 2.11 N ATOM 646 CA GLU A 41 5.431 9.815 -11.484 1.00 2.07 C ATOM 647 C GLU A 41 5.075 8.962 -12.712 1.00 1.94 C ATOM 648 O GLU A 41 5.957 8.307 -13.256 1.00 2.81 O ATOM 649 CB GLU A 41 5.733 8.993 -10.224 1.00 1.87 C ATOM 650 CG GLU A 41 6.270 9.878 -9.091 1.00 1.97 C ATOM 651 CD GLU A 41 7.605 10.468 -9.474 1.00 2.85 C ATOM 652 OE1 GLU A 41 8.580 9.695 -9.538 1.00 3.48 O ATOM 653 OE2 GLU A 41 7.651 11.682 -9.763 1.00 3.90 O ATOM 0 H GLU A 41 3.753 10.453 -10.436 1.00 2.11 H new ATOM 0 HA GLU A 41 6.340 10.334 -11.788 1.00 2.07 H new ATOM 0 HB2 GLU A 41 4.827 8.486 -9.893 1.00 1.87 H new ATOM 0 HB3 GLU A 41 6.463 8.219 -10.460 1.00 1.87 H new ATOM 0 HG2 GLU A 41 5.560 10.677 -8.877 1.00 1.97 H new ATOM 0 HG3 GLU A 41 6.373 9.290 -8.179 1.00 1.97 H new ATOM 660 N GLY A 42 3.827 8.971 -13.190 1.00 1.26 N ATOM 661 CA GLY A 42 3.476 8.298 -14.438 1.00 1.20 C ATOM 662 C GLY A 42 3.490 6.777 -14.304 1.00 1.07 C ATOM 663 O GLY A 42 3.904 6.072 -15.220 1.00 1.39 O ATOM 0 H GLY A 42 3.045 9.437 -12.730 1.00 1.26 H new ATOM 0 HA2 GLY A 42 2.485 8.623 -14.756 1.00 1.20 H new ATOM 0 HA3 GLY A 42 4.176 8.598 -15.218 1.00 1.20 H new ATOM 667 N ILE A 43 3.033 6.261 -13.167 1.00 0.91 N ATOM 668 CA ILE A 43 3.037 4.831 -12.889 1.00 0.96 C ATOM 669 C ILE A 43 1.781 4.202 -13.499 1.00 0.94 C ATOM 670 O ILE A 43 0.660 4.621 -13.200 1.00 1.04 O ATOM 671 CB ILE A 43 3.149 4.623 -11.368 1.00 1.07 C ATOM 672 CG1 ILE A 43 4.607 4.630 -10.886 1.00 1.38 C ATOM 673 CG2 ILE A 43 2.547 3.293 -10.914 1.00 1.44 C ATOM 674 CD1 ILE A 43 5.426 5.816 -11.377 1.00 1.39 C ATOM 0 H ILE A 43 2.648 6.826 -12.410 1.00 0.91 H new ATOM 0 HA ILE A 43 3.893 4.334 -13.344 1.00 0.96 H new ATOM 0 HB ILE A 43 2.597 5.458 -10.937 1.00 1.07 H new ATOM 0 HG12 ILE A 43 4.617 4.624 -9.796 1.00 1.38 H new ATOM 0 HG13 ILE A 43 5.090 3.710 -11.214 1.00 1.38 H new ATOM 0 HG21 ILE A 43 2.652 3.196 -9.833 1.00 1.44 H new ATOM 0 HG22 ILE A 43 1.490 3.262 -11.180 1.00 1.44 H new ATOM 0 HG23 ILE A 43 3.069 2.471 -11.404 1.00 1.44 H new ATOM 0 HD11 ILE A 43 6.442 5.742 -10.990 1.00 1.39 H new ATOM 0 HD12 ILE A 43 5.452 5.814 -12.467 1.00 1.39 H new ATOM 0 HD13 ILE A 43 4.971 6.742 -11.026 1.00 1.39 H new ATOM 686 N THR A 44 1.959 3.200 -14.353 1.00 0.93 N ATOM 687 CA THR A 44 0.884 2.452 -14.978 1.00 1.01 C ATOM 688 C THR A 44 0.502 1.259 -14.090 1.00 1.03 C ATOM 689 O THR A 44 1.065 1.072 -13.011 1.00 1.18 O ATOM 690 CB THR A 44 1.360 2.048 -16.374 1.00 1.07 C ATOM 691 OG1 THR A 44 2.466 1.182 -16.269 1.00 1.11 O ATOM 692 CG2 THR A 44 1.784 3.308 -17.137 1.00 1.23 C ATOM 0 H THR A 44 2.885 2.879 -14.635 1.00 0.93 H new ATOM 0 HA THR A 44 -0.024 3.046 -15.087 1.00 1.01 H new ATOM 0 HB THR A 44 0.552 1.541 -16.901 1.00 1.07 H new ATOM 0 HG1 THR A 44 2.766 0.925 -17.166 1.00 1.11 H new ATOM 0 HG21 THR A 44 2.126 3.032 -18.135 1.00 1.23 H new ATOM 0 HG22 THR A 44 0.935 3.987 -17.219 1.00 1.23 H new ATOM 0 HG23 THR A 44 2.593 3.803 -16.601 1.00 1.23 H new ATOM 700 N LYS A 45 -0.469 0.441 -14.511 1.00 1.04 N ATOM 701 CA LYS A 45 -0.774 -0.807 -13.836 1.00 1.07 C ATOM 702 C LYS A 45 0.408 -1.759 -14.016 1.00 0.95 C ATOM 703 O LYS A 45 0.816 -2.449 -13.082 1.00 0.94 O ATOM 704 CB LYS A 45 -2.047 -1.379 -14.476 1.00 1.24 C ATOM 705 CG LYS A 45 -2.914 -2.255 -13.579 1.00 1.38 C ATOM 706 CD LYS A 45 -2.190 -3.495 -13.034 1.00 2.11 C ATOM 707 CE LYS A 45 -1.820 -3.312 -11.551 1.00 3.65 C ATOM 708 NZ LYS A 45 -2.875 -3.885 -10.691 1.00 4.73 N ATOM 0 H LYS A 45 -1.056 0.631 -15.323 1.00 1.04 H new ATOM 0 HA LYS A 45 -0.939 -0.662 -12.768 1.00 1.07 H new ATOM 0 HB2 LYS A 45 -2.654 -0.548 -14.834 1.00 1.24 H new ATOM 0 HB3 LYS A 45 -1.759 -1.963 -15.350 1.00 1.24 H new ATOM 0 HG2 LYS A 45 -3.272 -1.658 -12.741 1.00 1.38 H new ATOM 0 HG3 LYS A 45 -3.792 -2.576 -14.140 1.00 1.38 H new ATOM 0 HD2 LYS A 45 -2.828 -4.372 -13.148 1.00 2.11 H new ATOM 0 HD3 LYS A 45 -1.288 -3.679 -13.617 1.00 2.11 H new ATOM 0 HE2 LYS A 45 -0.867 -3.798 -11.343 1.00 3.65 H new ATOM 0 HE3 LYS A 45 -1.693 -2.253 -11.328 1.00 3.65 H new ATOM 0 HZ1 LYS A 45 -2.774 -3.515 -9.724 1.00 4.73 H new ATOM 0 HZ2 LYS A 45 -3.809 -3.623 -11.066 1.00 4.73 H new ATOM 0 HZ3 LYS A 45 -2.786 -4.921 -10.676 1.00 4.73 H new ATOM 722 N GLU A 46 0.916 -1.821 -15.244 1.00 0.94 N ATOM 723 CA GLU A 46 2.020 -2.689 -15.597 1.00 0.89 C ATOM 724 C GLU A 46 3.222 -2.293 -14.733 1.00 0.84 C ATOM 725 O GLU A 46 3.827 -3.150 -14.094 1.00 0.84 O ATOM 726 CB GLU A 46 2.254 -2.555 -17.106 1.00 0.96 C ATOM 727 CG GLU A 46 3.569 -3.138 -17.629 1.00 1.68 C ATOM 728 CD GLU A 46 3.665 -2.933 -19.124 1.00 1.75 C ATOM 729 OE1 GLU A 46 2.728 -3.368 -19.833 1.00 2.18 O ATOM 730 OE2 GLU A 46 4.629 -2.276 -19.558 1.00 2.60 O ATOM 0 H GLU A 46 0.566 -1.264 -16.023 1.00 0.94 H new ATOM 0 HA GLU A 46 1.825 -3.743 -15.400 1.00 0.89 H new ATOM 0 HB2 GLU A 46 1.430 -3.042 -17.627 1.00 0.96 H new ATOM 0 HB3 GLU A 46 2.217 -1.498 -17.368 1.00 0.96 H new ATOM 0 HG2 GLU A 46 4.412 -2.658 -17.133 1.00 1.68 H new ATOM 0 HG3 GLU A 46 3.624 -4.201 -17.395 1.00 1.68 H new ATOM 737 N ASP A 47 3.535 -0.994 -14.675 1.00 0.87 N ATOM 738 CA ASP A 47 4.682 -0.493 -13.925 1.00 0.89 C ATOM 739 C ASP A 47 4.529 -0.942 -12.469 1.00 0.87 C ATOM 740 O ASP A 47 5.421 -1.560 -11.900 1.00 0.89 O ATOM 741 CB ASP A 47 4.722 1.035 -13.991 1.00 0.99 C ATOM 742 CG ASP A 47 5.856 1.596 -13.158 1.00 1.10 C ATOM 743 OD1 ASP A 47 5.766 1.536 -11.916 1.00 2.42 O ATOM 744 OD2 ASP A 47 6.808 2.108 -13.788 1.00 1.94 O ATOM 0 H ASP A 47 2.999 -0.265 -15.147 1.00 0.87 H new ATOM 0 HA ASP A 47 5.608 -0.883 -14.349 1.00 0.89 H new ATOM 0 HB2 ASP A 47 4.838 1.353 -15.027 1.00 0.99 H new ATOM 0 HB3 ASP A 47 3.774 1.441 -13.638 1.00 0.99 H new ATOM 749 N LEU A 48 3.351 -0.687 -11.895 1.00 0.88 N ATOM 750 CA LEU A 48 2.977 -1.183 -10.580 1.00 0.91 C ATOM 751 C LEU A 48 3.343 -2.656 -10.393 1.00 0.81 C ATOM 752 O LEU A 48 3.995 -3.012 -9.415 1.00 0.83 O ATOM 753 CB LEU A 48 1.471 -0.958 -10.365 1.00 0.98 C ATOM 754 CG LEU A 48 1.202 0.299 -9.541 1.00 1.17 C ATOM 755 CD1 LEU A 48 -0.264 0.722 -9.679 1.00 1.28 C ATOM 756 CD2 LEU A 48 1.532 0.064 -8.066 1.00 1.50 C ATOM 0 H LEU A 48 2.626 -0.124 -12.340 1.00 0.88 H new ATOM 0 HA LEU A 48 3.541 -0.628 -9.830 1.00 0.91 H new ATOM 0 HB2 LEU A 48 0.974 -0.874 -11.331 1.00 0.98 H new ATOM 0 HB3 LEU A 48 1.042 -1.823 -9.860 1.00 0.98 H new ATOM 0 HG LEU A 48 1.843 1.094 -9.921 1.00 1.17 H new ATOM 0 HD11 LEU A 48 -0.441 1.619 -9.086 1.00 1.28 H new ATOM 0 HD12 LEU A 48 -0.486 0.929 -10.726 1.00 1.28 H new ATOM 0 HD13 LEU A 48 -0.909 -0.081 -9.323 1.00 1.28 H new ATOM 0 HD21 LEU A 48 1.332 0.973 -7.499 1.00 1.50 H new ATOM 0 HD22 LEU A 48 0.915 -0.747 -7.680 1.00 1.50 H new ATOM 0 HD23 LEU A 48 2.584 -0.202 -7.966 1.00 1.50 H new ATOM 768 N GLN A 49 2.896 -3.524 -11.297 1.00 0.77 N ATOM 769 CA GLN A 49 3.203 -4.939 -11.263 1.00 0.70 C ATOM 770 C GLN A 49 4.722 -5.183 -11.277 1.00 0.70 C ATOM 771 O GLN A 49 5.237 -6.041 -10.560 1.00 0.71 O ATOM 772 CB GLN A 49 2.418 -5.607 -12.406 1.00 0.71 C ATOM 773 CG GLN A 49 3.257 -6.257 -13.519 1.00 0.82 C ATOM 774 CD GLN A 49 2.430 -6.534 -14.768 1.00 1.19 C ATOM 775 OE1 GLN A 49 2.912 -6.389 -15.888 1.00 1.84 O ATOM 776 NE2 GLN A 49 1.164 -6.907 -14.626 1.00 1.15 N ATOM 0 H GLN A 49 2.303 -3.254 -12.082 1.00 0.77 H new ATOM 0 HA GLN A 49 2.883 -5.402 -10.329 1.00 0.70 H new ATOM 0 HB2 GLN A 49 1.770 -6.371 -11.976 1.00 0.71 H new ATOM 0 HB3 GLN A 49 1.770 -4.857 -12.860 1.00 0.71 H new ATOM 0 HG2 GLN A 49 4.091 -5.603 -13.774 1.00 0.82 H new ATOM 0 HG3 GLN A 49 3.685 -7.190 -13.153 1.00 0.82 H new ATOM 0 HE21 GLN A 49 0.769 -7.026 -13.693 1.00 1.15 H new ATOM 0 HE22 GLN A 49 0.586 -7.075 -15.450 1.00 1.15 H new ATOM 785 N GLN A 50 5.443 -4.424 -12.097 1.00 0.75 N ATOM 786 CA GLN A 50 6.880 -4.548 -12.281 1.00 0.81 C ATOM 787 C GLN A 50 7.589 -4.234 -10.963 1.00 0.81 C ATOM 788 O GLN A 50 8.402 -5.026 -10.486 1.00 0.85 O ATOM 789 CB GLN A 50 7.286 -3.615 -13.428 1.00 1.01 C ATOM 790 CG GLN A 50 8.632 -3.941 -14.074 1.00 1.28 C ATOM 791 CD GLN A 50 8.719 -3.157 -15.377 1.00 2.43 C ATOM 792 OE1 GLN A 50 8.230 -3.618 -16.406 1.00 2.87 O ATOM 793 NE2 GLN A 50 9.250 -1.944 -15.353 1.00 3.90 N ATOM 0 H GLN A 50 5.029 -3.686 -12.666 1.00 0.75 H new ATOM 0 HA GLN A 50 7.173 -5.562 -12.552 1.00 0.81 H new ATOM 0 HB2 GLN A 50 6.513 -3.648 -14.196 1.00 1.01 H new ATOM 0 HB3 GLN A 50 7.318 -2.592 -13.052 1.00 1.01 H new ATOM 0 HG2 GLN A 50 9.452 -3.670 -13.409 1.00 1.28 H new ATOM 0 HG3 GLN A 50 8.716 -5.011 -14.264 1.00 1.28 H new ATOM 0 HE21 GLN A 50 9.651 -1.580 -14.489 1.00 3.90 H new ATOM 0 HE22 GLN A 50 9.258 -1.374 -16.199 1.00 3.90 H new ATOM 802 N LYS A 51 7.235 -3.102 -10.352 1.00 0.87 N ATOM 803 CA LYS A 51 7.754 -2.673 -9.063 1.00 1.01 C ATOM 804 C LYS A 51 7.428 -3.727 -8.015 1.00 0.99 C ATOM 805 O LYS A 51 8.280 -4.152 -7.239 1.00 1.12 O ATOM 806 CB LYS A 51 7.114 -1.332 -8.680 1.00 1.15 C ATOM 807 CG LYS A 51 7.977 -0.601 -7.641 1.00 1.83 C ATOM 808 CD LYS A 51 7.300 0.696 -7.180 1.00 2.16 C ATOM 809 CE LYS A 51 8.112 1.461 -6.122 1.00 2.08 C ATOM 810 NZ LYS A 51 8.178 0.790 -4.807 1.00 3.42 N ATOM 0 H LYS A 51 6.564 -2.447 -10.753 1.00 0.87 H new ATOM 0 HA LYS A 51 8.835 -2.549 -9.120 1.00 1.01 H new ATOM 0 HB2 LYS A 51 6.999 -0.710 -9.568 1.00 1.15 H new ATOM 0 HB3 LYS A 51 6.115 -1.501 -8.278 1.00 1.15 H new ATOM 0 HG2 LYS A 51 8.148 -1.251 -6.783 1.00 1.83 H new ATOM 0 HG3 LYS A 51 8.953 -0.374 -8.069 1.00 1.83 H new ATOM 0 HD2 LYS A 51 7.141 1.342 -8.044 1.00 2.16 H new ATOM 0 HD3 LYS A 51 6.317 0.460 -6.773 1.00 2.16 H new ATOM 0 HE2 LYS A 51 9.126 1.607 -6.494 1.00 2.08 H new ATOM 0 HE3 LYS A 51 7.675 2.451 -5.991 1.00 2.08 H new ATOM 0 HZ1 LYS A 51 7.940 1.471 -4.058 1.00 3.42 H new ATOM 0 HZ2 LYS A 51 7.501 0.001 -4.786 1.00 3.42 H new ATOM 0 HZ3 LYS A 51 9.139 0.425 -4.651 1.00 3.42 H new ATOM 824 N ALA A 52 6.156 -4.107 -7.971 1.00 0.93 N ATOM 825 CA ALA A 52 5.656 -5.149 -7.086 1.00 1.00 C ATOM 826 C ALA A 52 6.467 -6.438 -7.239 1.00 1.01 C ATOM 827 O ALA A 52 6.682 -7.160 -6.268 1.00 1.26 O ATOM 828 CB ALA A 52 4.172 -5.407 -7.354 1.00 0.98 C ATOM 0 H ALA A 52 5.433 -3.692 -8.559 1.00 0.93 H new ATOM 0 HA ALA A 52 5.769 -4.806 -6.058 1.00 1.00 H new ATOM 0 HB1 ALA A 52 3.812 -6.189 -6.685 1.00 0.98 H new ATOM 0 HB2 ALA A 52 3.606 -4.492 -7.180 1.00 0.98 H new ATOM 0 HB3 ALA A 52 4.039 -5.725 -8.388 1.00 0.98 H new ATOM 834 N GLY A 53 6.899 -6.732 -8.460 1.00 0.80 N ATOM 835 CA GLY A 53 7.642 -7.931 -8.786 1.00 0.79 C ATOM 836 C GLY A 53 6.710 -9.128 -8.899 1.00 0.89 C ATOM 837 O GLY A 53 7.122 -10.272 -8.704 1.00 1.19 O ATOM 0 H GLY A 53 6.736 -6.126 -9.264 1.00 0.80 H new ATOM 0 HA2 GLY A 53 8.176 -7.790 -9.726 1.00 0.79 H new ATOM 0 HA3 GLY A 53 8.393 -8.120 -8.018 1.00 0.79 H new ATOM 841 N LYS A 54 5.452 -8.879 -9.256 1.00 0.86 N ATOM 842 CA LYS A 54 4.469 -9.908 -9.531 1.00 1.10 C ATOM 843 C LYS A 54 3.429 -9.274 -10.446 1.00 0.95 C ATOM 844 O LYS A 54 3.235 -8.060 -10.371 1.00 0.72 O ATOM 845 CB LYS A 54 3.880 -10.464 -8.221 1.00 1.37 C ATOM 846 CG LYS A 54 3.202 -9.412 -7.325 1.00 1.67 C ATOM 847 CD LYS A 54 2.680 -10.026 -6.013 1.00 1.49 C ATOM 848 CE LYS A 54 3.835 -10.689 -5.248 1.00 2.34 C ATOM 849 NZ LYS A 54 3.710 -10.649 -3.777 1.00 2.90 N ATOM 0 H LYS A 54 5.086 -7.933 -9.363 1.00 0.86 H new ATOM 0 HA LYS A 54 4.907 -10.774 -10.028 1.00 1.10 H new ATOM 0 HB2 LYS A 54 3.152 -11.238 -8.465 1.00 1.37 H new ATOM 0 HB3 LYS A 54 4.678 -10.944 -7.655 1.00 1.37 H new ATOM 0 HG2 LYS A 54 3.912 -8.617 -7.097 1.00 1.67 H new ATOM 0 HG3 LYS A 54 2.374 -8.954 -7.866 1.00 1.67 H new ATOM 0 HD2 LYS A 54 2.221 -9.253 -5.397 1.00 1.49 H new ATOM 0 HD3 LYS A 54 1.906 -10.762 -6.229 1.00 1.49 H new ATOM 0 HE2 LYS A 54 3.911 -11.730 -5.564 1.00 2.34 H new ATOM 0 HE3 LYS A 54 4.767 -10.201 -5.532 1.00 2.34 H new ATOM 0 HZ1 LYS A 54 4.532 -11.118 -3.346 1.00 2.90 H new ATOM 0 HZ2 LYS A 54 3.670 -9.660 -3.459 1.00 2.90 H new ATOM 0 HZ3 LYS A 54 2.840 -11.141 -3.489 1.00 2.90 H new ATOM 863 N PRO A 55 2.769 -10.039 -11.326 1.00 1.23 N ATOM 864 CA PRO A 55 1.774 -9.506 -12.240 1.00 1.25 C ATOM 865 C PRO A 55 0.508 -9.163 -11.460 1.00 1.15 C ATOM 866 O PRO A 55 -0.510 -9.833 -11.624 1.00 1.44 O ATOM 867 CB PRO A 55 1.545 -10.629 -13.256 1.00 1.63 C ATOM 868 CG PRO A 55 1.773 -11.886 -12.413 1.00 1.77 C ATOM 869 CD PRO A 55 2.934 -11.470 -11.513 1.00 1.59 C ATOM 0 HA PRO A 55 2.082 -8.588 -12.740 1.00 1.25 H new ATOM 0 HB2 PRO A 55 0.540 -10.598 -13.676 1.00 1.63 H new ATOM 0 HB3 PRO A 55 2.242 -10.569 -14.092 1.00 1.63 H new ATOM 0 HG2 PRO A 55 0.888 -12.155 -11.836 1.00 1.77 H new ATOM 0 HG3 PRO A 55 2.026 -12.749 -13.030 1.00 1.77 H new ATOM 0 HD2 PRO A 55 2.904 -11.999 -10.560 1.00 1.59 H new ATOM 0 HD3 PRO A 55 3.894 -11.700 -11.975 1.00 1.59 H new ATOM 877 N VAL A 56 0.557 -8.210 -10.526 1.00 0.83 N ATOM 878 CA VAL A 56 -0.580 -8.000 -9.654 1.00 0.82 C ATOM 879 C VAL A 56 -1.683 -7.284 -10.382 1.00 0.91 C ATOM 880 O VAL A 56 -1.530 -6.163 -10.863 1.00 1.28 O ATOM 881 CB VAL A 56 -0.272 -7.420 -8.276 1.00 0.98 C ATOM 882 CG1 VAL A 56 0.711 -6.246 -8.271 1.00 0.97 C ATOM 883 CG2 VAL A 56 -1.553 -7.082 -7.514 1.00 1.84 C ATOM 0 H VAL A 56 1.352 -7.592 -10.363 1.00 0.83 H new ATOM 0 HA VAL A 56 -0.935 -8.998 -9.396 1.00 0.82 H new ATOM 0 HB VAL A 56 0.251 -8.218 -7.749 1.00 0.98 H new ATOM 0 HG11 VAL A 56 0.865 -5.905 -7.247 1.00 0.97 H new ATOM 0 HG12 VAL A 56 1.663 -6.567 -8.693 1.00 0.97 H new ATOM 0 HG13 VAL A 56 0.306 -5.430 -8.869 1.00 0.97 H new ATOM 0 HG21 VAL A 56 -1.298 -6.671 -6.537 1.00 1.84 H new ATOM 0 HG22 VAL A 56 -2.128 -6.347 -8.077 1.00 1.84 H new ATOM 0 HG23 VAL A 56 -2.148 -7.986 -7.383 1.00 1.84 H new ATOM 893 N GLU A 57 -2.823 -7.944 -10.403 1.00 1.22 N ATOM 894 CA GLU A 57 -4.000 -7.438 -11.070 1.00 1.48 C ATOM 895 C GLU A 57 -4.748 -6.481 -10.154 1.00 1.25 C ATOM 896 O GLU A 57 -5.313 -5.499 -10.626 1.00 1.27 O ATOM 897 CB GLU A 57 -4.849 -8.602 -11.583 1.00 1.89 C ATOM 898 CG GLU A 57 -4.581 -8.784 -13.082 1.00 2.47 C ATOM 899 CD GLU A 57 -5.268 -7.690 -13.884 1.00 2.14 C ATOM 900 OE1 GLU A 57 -4.672 -6.615 -14.097 1.00 2.65 O ATOM 901 OE2 GLU A 57 -6.438 -7.927 -14.252 1.00 2.97 O ATOM 0 H GLU A 57 -2.957 -8.850 -9.955 1.00 1.22 H new ATOM 0 HA GLU A 57 -3.720 -6.856 -11.948 1.00 1.48 H new ATOM 0 HB2 GLU A 57 -4.604 -9.516 -11.042 1.00 1.89 H new ATOM 0 HB3 GLU A 57 -5.907 -8.403 -11.410 1.00 1.89 H new ATOM 0 HG2 GLU A 57 -3.508 -8.761 -13.271 1.00 2.47 H new ATOM 0 HG3 GLU A 57 -4.941 -9.761 -13.406 1.00 2.47 H new ATOM 908 N THR A 58 -4.647 -6.667 -8.845 1.00 1.34 N ATOM 909 CA THR A 58 -5.442 -5.908 -7.905 1.00 1.28 C ATOM 910 C THR A 58 -4.780 -4.543 -7.616 1.00 1.16 C ATOM 911 O THR A 58 -3.681 -4.267 -8.120 1.00 1.26 O ATOM 912 CB THR A 58 -5.672 -6.833 -6.695 1.00 1.35 C ATOM 913 OG1 THR A 58 -4.493 -7.534 -6.331 1.00 1.50 O ATOM 914 CG2 THR A 58 -6.696 -7.905 -7.080 1.00 1.45 C ATOM 0 H THR A 58 -4.017 -7.343 -8.413 1.00 1.34 H new ATOM 0 HA THR A 58 -6.422 -5.623 -8.287 1.00 1.28 H new ATOM 0 HB THR A 58 -6.002 -6.204 -5.868 1.00 1.35 H new ATOM 0 HG1 THR A 58 -4.679 -8.108 -5.559 1.00 1.50 H new ATOM 0 HG21 THR A 58 -6.867 -8.566 -6.231 1.00 1.45 H new ATOM 0 HG22 THR A 58 -7.634 -7.427 -7.363 1.00 1.45 H new ATOM 0 HG23 THR A 58 -6.317 -8.485 -7.921 1.00 1.45 H new ATOM 922 N VAL A 59 -5.478 -3.656 -6.902 1.00 1.24 N ATOM 923 CA VAL A 59 -5.044 -2.328 -6.460 1.00 1.07 C ATOM 924 C VAL A 59 -5.746 -2.017 -5.121 1.00 0.88 C ATOM 925 O VAL A 59 -6.723 -2.697 -4.793 1.00 1.02 O ATOM 926 CB VAL A 59 -5.413 -1.266 -7.518 1.00 1.28 C ATOM 927 CG1 VAL A 59 -4.407 -1.279 -8.670 1.00 1.46 C ATOM 928 CG2 VAL A 59 -6.828 -1.431 -8.086 1.00 1.90 C ATOM 0 H VAL A 59 -6.429 -3.862 -6.596 1.00 1.24 H new ATOM 0 HA VAL A 59 -3.962 -2.310 -6.329 1.00 1.07 H new ATOM 0 HB VAL A 59 -5.382 -0.309 -6.997 1.00 1.28 H new ATOM 0 HG11 VAL A 59 -4.685 -0.523 -9.405 1.00 1.46 H new ATOM 0 HG12 VAL A 59 -3.411 -1.062 -8.285 1.00 1.46 H new ATOM 0 HG13 VAL A 59 -4.407 -2.261 -9.142 1.00 1.46 H new ATOM 0 HG21 VAL A 59 -7.018 -0.651 -8.823 1.00 1.90 H new ATOM 0 HG22 VAL A 59 -6.918 -2.408 -8.561 1.00 1.90 H new ATOM 0 HG23 VAL A 59 -7.556 -1.352 -7.278 1.00 1.90 H new ATOM 938 N PRO A 60 -5.298 -1.024 -4.327 1.00 0.71 N ATOM 939 CA PRO A 60 -4.053 -0.296 -4.483 1.00 0.66 C ATOM 940 C PRO A 60 -2.927 -1.223 -4.062 1.00 0.55 C ATOM 941 O PRO A 60 -3.185 -2.282 -3.492 1.00 0.75 O ATOM 942 CB PRO A 60 -4.150 0.874 -3.499 1.00 0.72 C ATOM 943 CG PRO A 60 -4.847 0.198 -2.319 1.00 0.63 C ATOM 944 CD PRO A 60 -5.864 -0.688 -3.027 1.00 0.70 C ATOM 0 HA PRO A 60 -3.875 0.050 -5.501 1.00 0.66 H new ATOM 0 HB2 PRO A 60 -3.171 1.270 -3.229 1.00 0.72 H new ATOM 0 HB3 PRO A 60 -4.730 1.705 -3.901 1.00 0.72 H new ATOM 0 HG2 PRO A 60 -4.153 -0.382 -1.711 1.00 0.63 H new ATOM 0 HG3 PRO A 60 -5.324 0.920 -1.657 1.00 0.63 H new ATOM 0 HD2 PRO A 60 -6.061 -1.589 -2.447 1.00 0.70 H new ATOM 0 HD3 PRO A 60 -6.815 -0.168 -3.142 1.00 0.70 H new ATOM 952 N GLN A 61 -1.693 -0.809 -4.327 1.00 0.59 N ATOM 953 CA GLN A 61 -0.526 -1.534 -3.883 1.00 0.58 C ATOM 954 C GLN A 61 0.261 -0.609 -2.954 1.00 0.53 C ATOM 955 O GLN A 61 0.774 0.423 -3.390 1.00 0.76 O ATOM 956 CB GLN A 61 0.275 -2.026 -5.092 1.00 0.90 C ATOM 957 CG GLN A 61 -0.582 -2.768 -6.141 1.00 1.21 C ATOM 958 CD GLN A 61 -1.391 -3.940 -5.579 1.00 2.71 C ATOM 959 OE1 GLN A 61 -2.606 -3.924 -5.530 1.00 4.29 O ATOM 960 NE2 GLN A 61 -0.752 -5.003 -5.159 1.00 3.28 N ATOM 0 H GLN A 61 -1.482 0.038 -4.855 1.00 0.59 H new ATOM 0 HA GLN A 61 -0.788 -2.432 -3.324 1.00 0.58 H new ATOM 0 HB2 GLN A 61 0.759 -1.173 -5.568 1.00 0.90 H new ATOM 0 HB3 GLN A 61 1.067 -2.690 -4.747 1.00 0.90 H new ATOM 0 HG2 GLN A 61 -1.267 -2.057 -6.602 1.00 1.21 H new ATOM 0 HG3 GLN A 61 0.072 -3.138 -6.931 1.00 1.21 H new ATOM 0 HE21 GLN A 61 0.267 -5.032 -5.193 1.00 3.28 H new ATOM 0 HE22 GLN A 61 -1.273 -5.802 -4.797 1.00 3.28 H new ATOM 969 N ILE A 62 0.287 -0.931 -1.665 1.00 0.42 N ATOM 970 CA ILE A 62 1.187 -0.327 -0.699 1.00 0.48 C ATOM 971 C ILE A 62 2.506 -1.104 -0.745 1.00 0.48 C ATOM 972 O ILE A 62 2.523 -2.296 -1.063 1.00 0.63 O ATOM 973 CB ILE A 62 0.515 -0.339 0.691 1.00 0.52 C ATOM 974 CG1 ILE A 62 -0.457 0.846 0.929 1.00 0.53 C ATOM 975 CG2 ILE A 62 1.491 -0.391 1.868 1.00 0.56 C ATOM 976 CD1 ILE A 62 -1.745 0.275 1.518 1.00 0.59 C ATOM 0 H ILE A 62 -0.331 -1.633 -1.258 1.00 0.42 H new ATOM 0 HA ILE A 62 1.404 0.716 -0.929 1.00 0.48 H new ATOM 0 HB ILE A 62 -0.049 -1.271 0.663 1.00 0.52 H new ATOM 0 HG12 ILE A 62 -0.014 1.574 1.609 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -0.662 1.367 -0.006 1.00 0.53 H new ATOM 0 HG21 ILE A 62 0.932 -0.396 2.804 1.00 0.56 H new ATOM 0 HG22 ILE A 62 2.094 -1.296 1.801 1.00 0.56 H new ATOM 0 HG23 ILE A 62 2.143 0.482 1.839 1.00 0.56 H new ATOM 0 HD11 ILE A 62 -2.453 1.084 1.698 1.00 0.59 H new ATOM 0 HD12 ILE A 62 -2.180 -0.439 0.818 1.00 0.59 H new ATOM 0 HD13 ILE A 62 -1.523 -0.229 2.459 1.00 0.59 H new ATOM 988 N PHE A 63 3.599 -0.429 -0.408 1.00 0.35 N ATOM 989 CA PHE A 63 4.882 -1.001 -0.053 1.00 0.34 C ATOM 990 C PHE A 63 5.130 -0.570 1.384 1.00 0.41 C ATOM 991 O PHE A 63 4.832 0.574 1.718 1.00 0.64 O ATOM 992 CB PHE A 63 6.012 -0.433 -0.929 1.00 0.39 C ATOM 993 CG PHE A 63 5.987 -0.825 -2.393 1.00 0.41 C ATOM 994 CD1 PHE A 63 4.954 -0.366 -3.228 1.00 1.77 C ATOM 995 CD2 PHE A 63 7.012 -1.625 -2.933 1.00 2.01 C ATOM 996 CE1 PHE A 63 4.906 -0.750 -4.576 1.00 1.78 C ATOM 997 CE2 PHE A 63 6.958 -2.020 -4.279 1.00 2.03 C ATOM 998 CZ PHE A 63 5.889 -1.608 -5.091 1.00 0.53 C ATOM 0 H PHE A 63 3.608 0.590 -0.375 1.00 0.35 H new ATOM 0 HA PHE A 63 4.870 -2.083 -0.188 1.00 0.34 H new ATOM 0 HB2 PHE A 63 5.981 0.655 -0.865 1.00 0.39 H new ATOM 0 HB3 PHE A 63 6.965 -0.750 -0.506 1.00 0.39 H new ATOM 0 HD1 PHE A 63 4.192 0.287 -2.829 1.00 1.77 H new ATOM 0 HD2 PHE A 63 7.840 -1.935 -2.312 1.00 2.01 H new ATOM 0 HE1 PHE A 63 4.115 -0.386 -5.215 1.00 1.78 H new ATOM 0 HE2 PHE A 63 7.740 -2.641 -4.690 1.00 2.03 H new ATOM 0 HZ PHE A 63 5.824 -1.952 -6.113 1.00 0.53 H new ATOM 1008 N VAL A 64 5.693 -1.433 2.220 1.00 0.40 N ATOM 1009 CA VAL A 64 6.307 -0.988 3.455 1.00 0.52 C ATOM 1010 C VAL A 64 7.791 -0.902 3.154 1.00 0.71 C ATOM 1011 O VAL A 64 8.392 -1.900 2.760 1.00 0.75 O ATOM 1012 CB VAL A 64 5.990 -1.924 4.628 1.00 0.73 C ATOM 1013 CG1 VAL A 64 6.938 -1.637 5.800 1.00 1.04 C ATOM 1014 CG2 VAL A 64 4.551 -1.675 5.097 1.00 0.92 C ATOM 0 H VAL A 64 5.735 -2.440 2.063 1.00 0.40 H new ATOM 0 HA VAL A 64 5.916 -0.022 3.776 1.00 0.52 H new ATOM 0 HB VAL A 64 6.112 -2.956 4.300 1.00 0.73 H new ATOM 0 HG11 VAL A 64 6.706 -2.306 6.628 1.00 1.04 H new ATOM 0 HG12 VAL A 64 7.968 -1.797 5.482 1.00 1.04 H new ATOM 0 HG13 VAL A 64 6.815 -0.603 6.123 1.00 1.04 H new ATOM 0 HG21 VAL A 64 4.320 -2.338 5.931 1.00 0.92 H new ATOM 0 HG22 VAL A 64 4.447 -0.638 5.418 1.00 0.92 H new ATOM 0 HG23 VAL A 64 3.862 -1.871 4.276 1.00 0.92 H new ATOM 1024 N ASP A 65 8.356 0.293 3.315 1.00 0.97 N ATOM 1025 CA ASP A 65 9.766 0.609 3.188 1.00 1.25 C ATOM 1026 C ASP A 65 10.254 0.418 1.755 1.00 1.46 C ATOM 1027 O ASP A 65 10.472 1.392 1.034 1.00 3.15 O ATOM 1028 CB ASP A 65 10.593 -0.193 4.197 1.00 1.37 C ATOM 1029 CG ASP A 65 12.044 0.190 4.088 1.00 2.38 C ATOM 1030 OD1 ASP A 65 12.330 1.391 4.274 1.00 3.33 O ATOM 1031 OD2 ASP A 65 12.892 -0.703 3.914 1.00 3.29 O ATOM 0 H ASP A 65 7.800 1.115 3.553 1.00 0.97 H new ATOM 0 HA ASP A 65 9.903 1.665 3.423 1.00 1.25 H new ATOM 0 HB2 ASP A 65 10.233 -0.004 5.208 1.00 1.37 H new ATOM 0 HB3 ASP A 65 10.474 -1.260 4.011 1.00 1.37 H new ATOM 1036 N GLN A 66 10.386 -0.834 1.332 1.00 0.78 N ATOM 1037 CA GLN A 66 10.800 -1.276 0.028 1.00 0.89 C ATOM 1038 C GLN A 66 10.112 -2.581 -0.400 1.00 0.69 C ATOM 1039 O GLN A 66 10.177 -2.956 -1.572 1.00 0.90 O ATOM 1040 CB GLN A 66 12.331 -1.367 -0.002 1.00 1.33 C ATOM 1041 CG GLN A 66 12.845 -2.522 0.868 1.00 3.45 C ATOM 1042 CD GLN A 66 14.344 -2.418 1.101 1.00 4.33 C ATOM 1043 OE1 GLN A 66 15.138 -2.993 0.361 1.00 5.11 O ATOM 1044 NE2 GLN A 66 14.743 -1.697 2.136 1.00 4.87 N ATOM 0 H GLN A 66 10.188 -1.620 1.950 1.00 0.78 H new ATOM 0 HA GLN A 66 10.481 -0.544 -0.713 1.00 0.89 H new ATOM 0 HB2 GLN A 66 12.668 -1.507 -1.029 1.00 1.33 H new ATOM 0 HB3 GLN A 66 12.759 -0.428 0.349 1.00 1.33 H new ATOM 0 HG2 GLN A 66 12.325 -2.517 1.826 1.00 3.45 H new ATOM 0 HG3 GLN A 66 12.615 -3.472 0.386 1.00 3.45 H new ATOM 0 HE21 GLN A 66 14.056 -1.233 2.730 1.00 4.87 H new ATOM 0 HE22 GLN A 66 15.738 -1.605 2.340 1.00 4.87 H new ATOM 1053 N GLN A 67 9.457 -3.283 0.523 1.00 0.54 N ATOM 1054 CA GLN A 67 8.815 -4.561 0.320 1.00 0.59 C ATOM 1055 C GLN A 67 7.397 -4.237 -0.140 1.00 0.46 C ATOM 1056 O GLN A 67 6.687 -3.489 0.529 1.00 0.48 O ATOM 1057 CB GLN A 67 8.853 -5.314 1.660 1.00 0.72 C ATOM 1058 CG GLN A 67 7.775 -6.387 1.813 1.00 0.95 C ATOM 1059 CD GLN A 67 7.952 -7.166 3.112 1.00 1.75 C ATOM 1060 OE1 GLN A 67 8.113 -8.386 3.110 1.00 2.11 O ATOM 1061 NE2 GLN A 67 7.973 -6.477 4.243 1.00 3.33 N ATOM 0 H GLN A 67 9.360 -2.949 1.482 1.00 0.54 H new ATOM 0 HA GLN A 67 9.297 -5.196 -0.423 1.00 0.59 H new ATOM 0 HB2 GLN A 67 9.831 -5.781 1.773 1.00 0.72 H new ATOM 0 HB3 GLN A 67 8.748 -4.593 2.471 1.00 0.72 H new ATOM 0 HG2 GLN A 67 6.790 -5.921 1.797 1.00 0.95 H new ATOM 0 HG3 GLN A 67 7.818 -7.072 0.966 1.00 0.95 H new ATOM 0 HE21 GLN A 67 7.838 -5.466 4.227 1.00 3.33 H new ATOM 0 HE22 GLN A 67 8.124 -6.957 5.130 1.00 3.33 H new ATOM 1070 N HIS A 68 7.001 -4.765 -1.292 1.00 0.51 N ATOM 1071 CA HIS A 68 5.642 -4.638 -1.795 1.00 0.40 C ATOM 1072 C HIS A 68 4.716 -5.455 -0.901 1.00 0.43 C ATOM 1073 O HIS A 68 4.881 -6.668 -0.752 1.00 0.61 O ATOM 1074 CB HIS A 68 5.560 -5.090 -3.255 1.00 0.50 C ATOM 1075 CG HIS A 68 4.156 -5.341 -3.747 1.00 0.58 C ATOM 1076 ND1 HIS A 68 3.583 -6.580 -3.869 1.00 0.68 N ATOM 1077 CD2 HIS A 68 3.245 -4.423 -4.195 1.00 0.69 C ATOM 1078 CE1 HIS A 68 2.352 -6.426 -4.372 1.00 0.75 C ATOM 1079 NE2 HIS A 68 2.101 -5.124 -4.610 1.00 0.78 N ATOM 0 H HIS A 68 7.619 -5.296 -1.906 1.00 0.51 H new ATOM 0 HA HIS A 68 5.331 -3.594 -1.770 1.00 0.40 H new ATOM 0 HB2 HIS A 68 6.023 -4.331 -3.885 1.00 0.50 H new ATOM 0 HB3 HIS A 68 6.143 -6.003 -3.374 1.00 0.50 H new ATOM 0 HD1 HIS A 68 4.020 -7.467 -3.619 1.00 0.68 H new ATOM 0 HD2 HIS A 68 3.381 -3.352 -4.224 1.00 0.69 H new ATOM 0 HE1 HIS A 68 1.658 -7.232 -4.560 1.00 0.75 H new ATOM 1087 N ILE A 69 3.733 -4.784 -0.318 1.00 0.50 N ATOM 1088 CA ILE A 69 2.685 -5.404 0.461 1.00 0.71 C ATOM 1089 C ILE A 69 1.579 -5.772 -0.514 1.00 0.69 C ATOM 1090 O ILE A 69 1.273 -6.942 -0.719 1.00 0.80 O ATOM 1091 CB ILE A 69 2.208 -4.396 1.515 1.00 0.92 C ATOM 1092 CG1 ILE A 69 3.325 -3.996 2.487 1.00 0.97 C ATOM 1093 CG2 ILE A 69 0.987 -4.899 2.274 1.00 1.33 C ATOM 1094 CD1 ILE A 69 3.984 -5.173 3.203 1.00 1.11 C ATOM 0 H ILE A 69 3.645 -3.770 -0.378 1.00 0.50 H new ATOM 0 HA ILE A 69 3.018 -6.300 0.985 1.00 0.71 H new ATOM 0 HB ILE A 69 1.915 -3.501 0.966 1.00 0.92 H new ATOM 0 HG12 ILE A 69 4.089 -3.446 1.938 1.00 0.97 H new ATOM 0 HG13 ILE A 69 2.915 -3.315 3.233 1.00 0.97 H new ATOM 0 HG21 ILE A 69 0.684 -4.154 3.010 1.00 1.33 H new ATOM 0 HG22 ILE A 69 0.169 -5.072 1.574 1.00 1.33 H new ATOM 0 HG23 ILE A 69 1.233 -5.831 2.782 1.00 1.33 H new ATOM 0 HD11 ILE A 69 4.762 -4.803 3.871 1.00 1.11 H new ATOM 0 HD12 ILE A 69 3.235 -5.712 3.782 1.00 1.11 H new ATOM 0 HD13 ILE A 69 4.426 -5.845 2.467 1.00 1.11 H new ATOM 1106 N GLY A 70 1.006 -4.753 -1.145 1.00 0.65 N ATOM 1107 CA GLY A 70 -0.127 -4.892 -2.027 1.00 0.73 C ATOM 1108 C GLY A 70 -1.378 -4.309 -1.377 1.00 0.63 C ATOM 1109 O GLY A 70 -1.382 -3.142 -0.982 1.00 1.01 O ATOM 0 H GLY A 70 1.330 -3.790 -1.050 1.00 0.65 H new ATOM 0 HA2 GLY A 70 0.073 -4.382 -2.970 1.00 0.73 H new ATOM 0 HA3 GLY A 70 -0.287 -5.944 -2.261 1.00 0.73 H new ATOM 1113 N GLY A 71 -2.442 -5.100 -1.308 1.00 0.63 N ATOM 1114 CA GLY A 71 -3.778 -4.648 -0.979 1.00 0.77 C ATOM 1115 C GLY A 71 -3.985 -4.426 0.508 1.00 0.62 C ATOM 1116 O GLY A 71 -3.120 -4.705 1.331 1.00 0.64 O ATOM 0 H GLY A 71 -2.392 -6.103 -1.486 1.00 0.63 H new ATOM 0 HA2 GLY A 71 -3.981 -3.718 -1.510 1.00 0.77 H new ATOM 0 HA3 GLY A 71 -4.501 -5.382 -1.334 1.00 0.77 H new ATOM 1120 N TYR A 72 -5.177 -3.945 0.853 1.00 0.63 N ATOM 1121 CA TYR A 72 -5.675 -3.943 2.214 1.00 0.61 C ATOM 1122 C TYR A 72 -5.588 -5.349 2.815 1.00 0.60 C ATOM 1123 O TYR A 72 -5.184 -5.475 3.966 1.00 0.64 O ATOM 1124 CB TYR A 72 -7.127 -3.429 2.222 1.00 0.62 C ATOM 1125 CG TYR A 72 -7.985 -3.910 3.373 1.00 0.54 C ATOM 1126 CD1 TYR A 72 -7.918 -3.289 4.633 1.00 1.38 C ATOM 1127 CD2 TYR A 72 -8.774 -5.059 3.202 1.00 1.17 C ATOM 1128 CE1 TYR A 72 -8.595 -3.851 5.733 1.00 1.34 C ATOM 1129 CE2 TYR A 72 -9.436 -5.623 4.301 1.00 1.33 C ATOM 1130 CZ TYR A 72 -9.356 -5.019 5.563 1.00 0.79 C ATOM 1131 OH TYR A 72 -9.984 -5.615 6.615 1.00 1.10 O ATOM 0 H TYR A 72 -5.829 -3.541 0.180 1.00 0.63 H new ATOM 0 HA TYR A 72 -5.062 -3.281 2.826 1.00 0.61 H new ATOM 0 HB2 TYR A 72 -7.108 -2.339 2.237 1.00 0.62 H new ATOM 0 HB3 TYR A 72 -7.604 -3.726 1.288 1.00 0.62 H new ATOM 0 HD1 TYR A 72 -7.347 -2.381 4.757 1.00 1.38 H new ATOM 0 HD2 TYR A 72 -8.871 -5.508 2.224 1.00 1.17 H new ATOM 0 HE1 TYR A 72 -8.529 -3.385 6.705 1.00 1.34 H new ATOM 0 HE2 TYR A 72 -10.011 -6.528 4.175 1.00 1.33 H new ATOM 0 HH TYR A 72 -10.462 -6.411 6.302 1.00 1.10 H new ATOM 1141 N THR A 73 -5.984 -6.398 2.093 1.00 0.63 N ATOM 1142 CA THR A 73 -5.899 -7.755 2.625 1.00 0.70 C ATOM 1143 C THR A 73 -4.453 -8.085 2.980 1.00 0.74 C ATOM 1144 O THR A 73 -4.132 -8.462 4.108 1.00 0.82 O ATOM 1145 CB THR A 73 -6.401 -8.748 1.572 1.00 0.95 C ATOM 1146 OG1 THR A 73 -5.806 -8.459 0.321 1.00 2.03 O ATOM 1147 CG2 THR A 73 -7.917 -8.685 1.428 1.00 1.17 C ATOM 0 H THR A 73 -6.363 -6.334 1.148 1.00 0.63 H new ATOM 0 HA THR A 73 -6.515 -7.826 3.522 1.00 0.70 H new ATOM 0 HB THR A 73 -6.124 -9.750 1.899 1.00 0.95 H new ATOM 0 HG1 THR A 73 -6.128 -9.097 -0.350 1.00 2.03 H new ATOM 0 HG21 THR A 73 -8.241 -9.402 0.673 1.00 1.17 H new ATOM 0 HG22 THR A 73 -8.384 -8.928 2.383 1.00 1.17 H new ATOM 0 HG23 THR A 73 -8.212 -7.680 1.125 1.00 1.17 H new ATOM 1155 N ASP A 74 -3.592 -7.942 1.979 1.00 0.72 N ATOM 1156 CA ASP A 74 -2.175 -8.251 2.043 1.00 0.75 C ATOM 1157 C ASP A 74 -1.559 -7.496 3.219 1.00 0.71 C ATOM 1158 O ASP A 74 -0.757 -8.035 3.980 1.00 0.77 O ATOM 1159 CB ASP A 74 -1.499 -7.856 0.719 1.00 0.77 C ATOM 1160 CG ASP A 74 -2.149 -8.459 -0.510 1.00 0.95 C ATOM 1161 OD1 ASP A 74 -2.676 -9.584 -0.400 1.00 2.06 O ATOM 1162 OD2 ASP A 74 -2.130 -7.804 -1.574 1.00 1.74 O ATOM 0 H ASP A 74 -3.878 -7.593 1.064 1.00 0.72 H new ATOM 0 HA ASP A 74 -2.027 -9.321 2.193 1.00 0.75 H new ATOM 0 HB2 ASP A 74 -1.510 -6.770 0.627 1.00 0.77 H new ATOM 0 HB3 ASP A 74 -0.453 -8.162 0.751 1.00 0.77 H new ATOM 1167 N PHE A 75 -1.943 -6.231 3.365 1.00 0.65 N ATOM 1168 CA PHE A 75 -1.418 -5.331 4.369 1.00 0.63 C ATOM 1169 C PHE A 75 -1.911 -5.755 5.748 1.00 0.64 C ATOM 1170 O PHE A 75 -1.120 -5.923 6.668 1.00 0.66 O ATOM 1171 CB PHE A 75 -1.886 -3.917 4.006 1.00 0.58 C ATOM 1172 CG PHE A 75 -1.523 -2.801 4.956 1.00 0.58 C ATOM 1173 CD1 PHE A 75 -0.308 -2.822 5.672 1.00 1.82 C ATOM 1174 CD2 PHE A 75 -2.261 -1.610 4.873 1.00 1.69 C ATOM 1175 CE1 PHE A 75 0.145 -1.663 6.324 1.00 1.82 C ATOM 1176 CE2 PHE A 75 -1.811 -0.460 5.529 1.00 1.72 C ATOM 1177 CZ PHE A 75 -0.604 -0.480 6.245 1.00 0.68 C ATOM 0 H PHE A 75 -2.648 -5.799 2.768 1.00 0.65 H new ATOM 0 HA PHE A 75 -0.329 -5.355 4.398 1.00 0.63 H new ATOM 0 HB2 PHE A 75 -1.481 -3.669 3.025 1.00 0.58 H new ATOM 0 HB3 PHE A 75 -2.971 -3.936 3.907 1.00 0.58 H new ATOM 0 HD1 PHE A 75 0.275 -3.730 5.719 1.00 1.82 H new ATOM 0 HD2 PHE A 75 -3.177 -1.582 4.302 1.00 1.69 H new ATOM 0 HE1 PHE A 75 1.068 -1.683 6.885 1.00 1.82 H new ATOM 0 HE2 PHE A 75 -2.395 0.448 5.485 1.00 1.72 H new ATOM 0 HZ PHE A 75 -0.252 0.416 6.735 1.00 0.68 H new ATOM 1187 N ALA A 76 -3.217 -5.949 5.897 1.00 0.69 N ATOM 1188 CA ALA A 76 -3.816 -6.433 7.128 1.00 0.73 C ATOM 1189 C ALA A 76 -3.116 -7.717 7.582 1.00 0.79 C ATOM 1190 O ALA A 76 -2.791 -7.864 8.760 1.00 0.88 O ATOM 1191 CB ALA A 76 -5.313 -6.652 6.894 1.00 0.76 C ATOM 0 H ALA A 76 -3.894 -5.771 5.155 1.00 0.69 H new ATOM 0 HA ALA A 76 -3.694 -5.699 7.925 1.00 0.73 H new ATOM 0 HB1 ALA A 76 -5.775 -7.016 7.812 1.00 0.76 H new ATOM 0 HB2 ALA A 76 -5.777 -5.710 6.603 1.00 0.76 H new ATOM 0 HB3 ALA A 76 -5.454 -7.386 6.101 1.00 0.76 H new ATOM 1197 N ALA A 77 -2.871 -8.631 6.642 1.00 0.79 N ATOM 1198 CA ALA A 77 -2.143 -9.857 6.912 1.00 0.80 C ATOM 1199 C ALA A 77 -0.735 -9.533 7.414 1.00 0.75 C ATOM 1200 O ALA A 77 -0.361 -9.999 8.485 1.00 0.82 O ATOM 1201 CB ALA A 77 -2.114 -10.753 5.671 1.00 0.83 C ATOM 0 H ALA A 77 -3.175 -8.536 5.673 1.00 0.79 H new ATOM 0 HA ALA A 77 -2.657 -10.411 7.697 1.00 0.80 H new ATOM 0 HB1 ALA A 77 -1.563 -11.667 5.895 1.00 0.83 H new ATOM 0 HB2 ALA A 77 -3.134 -11.006 5.381 1.00 0.83 H new ATOM 0 HB3 ALA A 77 -1.624 -10.225 4.853 1.00 0.83 H new ATOM 1207 N TRP A 78 0.030 -8.733 6.664 1.00 0.67 N ATOM 1208 CA TRP A 78 1.387 -8.319 7.020 1.00 0.65 C ATOM 1209 C TRP A 78 1.349 -7.826 8.472 1.00 0.64 C ATOM 1210 O TRP A 78 1.931 -8.467 9.339 1.00 0.70 O ATOM 1211 CB TRP A 78 1.870 -7.261 6.006 1.00 0.60 C ATOM 1212 CG TRP A 78 3.217 -6.652 6.245 1.00 0.62 C ATOM 1213 CD1 TRP A 78 4.375 -7.163 5.768 1.00 0.72 C ATOM 1214 CD2 TRP A 78 3.597 -5.460 7.002 1.00 0.68 C ATOM 1215 NE1 TRP A 78 5.437 -6.453 6.275 1.00 0.82 N ATOM 1216 CE2 TRP A 78 5.020 -5.393 7.045 1.00 0.83 C ATOM 1217 CE3 TRP A 78 2.894 -4.446 7.687 1.00 0.72 C ATOM 1218 CZ2 TRP A 78 5.708 -4.415 7.772 1.00 1.01 C ATOM 1219 CZ3 TRP A 78 3.574 -3.454 8.420 1.00 0.93 C ATOM 1220 CH2 TRP A 78 4.978 -3.451 8.484 1.00 1.07 C ATOM 0 H TRP A 78 -0.286 -8.348 5.774 1.00 0.67 H new ATOM 0 HA TRP A 78 2.108 -9.135 6.968 1.00 0.65 H new ATOM 0 HB2 TRP A 78 1.876 -7.719 5.017 1.00 0.60 H new ATOM 0 HB3 TRP A 78 1.135 -6.457 5.980 1.00 0.60 H new ATOM 0 HD1 TRP A 78 4.453 -8.001 5.092 1.00 0.72 H new ATOM 0 HE1 TRP A 78 6.415 -6.684 6.101 1.00 0.82 H new ATOM 0 HE3 TRP A 78 1.815 -4.430 7.648 1.00 0.72 H new ATOM 0 HZ2 TRP A 78 6.788 -4.402 7.785 1.00 1.01 H new ATOM 0 HZ3 TRP A 78 3.012 -2.690 8.937 1.00 0.93 H new ATOM 0 HH2 TRP A 78 5.493 -2.710 9.078 1.00 1.07 H new ATOM 1231 N VAL A 79 0.587 -6.772 8.765 1.00 0.71 N ATOM 1232 CA VAL A 79 0.437 -6.232 10.114 1.00 0.75 C ATOM 1233 C VAL A 79 0.226 -7.357 11.127 1.00 0.74 C ATOM 1234 O VAL A 79 0.947 -7.460 12.120 1.00 0.77 O ATOM 1235 CB VAL A 79 -0.760 -5.257 10.152 1.00 0.80 C ATOM 1236 CG1 VAL A 79 -1.118 -4.776 11.569 1.00 0.89 C ATOM 1237 CG2 VAL A 79 -0.529 -4.029 9.270 1.00 0.75 C ATOM 0 H VAL A 79 0.050 -6.264 8.062 1.00 0.71 H new ATOM 0 HA VAL A 79 1.349 -5.698 10.380 1.00 0.75 H new ATOM 0 HB VAL A 79 -1.596 -5.841 9.767 1.00 0.80 H new ATOM 0 HG11 VAL A 79 -1.967 -4.095 11.518 1.00 0.89 H new ATOM 0 HG12 VAL A 79 -1.377 -5.634 12.190 1.00 0.89 H new ATOM 0 HG13 VAL A 79 -0.263 -4.258 12.004 1.00 0.89 H new ATOM 0 HG21 VAL A 79 -1.396 -3.371 9.328 1.00 0.75 H new ATOM 0 HG22 VAL A 79 0.356 -3.494 9.616 1.00 0.75 H new ATOM 0 HG23 VAL A 79 -0.381 -4.345 8.237 1.00 0.75 H new ATOM 1247 N LYS A 80 -0.781 -8.196 10.900 1.00 0.78 N ATOM 1248 CA LYS A 80 -1.128 -9.237 11.851 1.00 0.89 C ATOM 1249 C LYS A 80 -0.105 -10.376 11.913 1.00 1.01 C ATOM 1250 O LYS A 80 -0.235 -11.262 12.755 1.00 1.66 O ATOM 1251 CB LYS A 80 -2.559 -9.713 11.591 1.00 1.12 C ATOM 1252 CG LYS A 80 -3.524 -8.677 12.178 1.00 2.22 C ATOM 1253 CD LYS A 80 -4.920 -8.815 11.568 1.00 2.67 C ATOM 1254 CE LYS A 80 -5.994 -8.275 12.524 1.00 3.87 C ATOM 1255 NZ LYS A 80 -5.689 -6.928 13.049 1.00 5.06 N ATOM 0 H LYS A 80 -1.368 -8.172 10.066 1.00 0.78 H new ATOM 0 HA LYS A 80 -1.092 -8.806 12.852 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -2.732 -9.830 10.521 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -2.724 -10.688 12.049 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -3.583 -8.802 13.259 1.00 2.22 H new ATOM 0 HG3 LYS A 80 -3.141 -7.673 11.993 1.00 2.22 H new ATOM 0 HD2 LYS A 80 -4.963 -8.273 10.623 1.00 2.67 H new ATOM 0 HD3 LYS A 80 -5.121 -9.863 11.344 1.00 2.67 H new ATOM 0 HE2 LYS A 80 -6.951 -8.246 12.004 1.00 3.87 H new ATOM 0 HE3 LYS A 80 -6.106 -8.966 13.360 1.00 3.87 H new ATOM 0 HZ1 LYS A 80 -6.516 -6.560 13.561 1.00 5.06 H new ATOM 0 HZ2 LYS A 80 -4.877 -6.983 13.696 1.00 5.06 H new ATOM 0 HZ3 LYS A 80 -5.460 -6.291 12.259 1.00 5.06 H new ATOM 1269 N GLU A 81 0.891 -10.371 11.029 1.00 0.83 N ATOM 1270 CA GLU A 81 1.972 -11.333 10.986 1.00 0.84 C ATOM 1271 C GLU A 81 3.224 -10.772 11.669 1.00 0.90 C ATOM 1272 O GLU A 81 3.950 -11.513 12.326 1.00 1.27 O ATOM 1273 CB GLU A 81 2.261 -11.679 9.521 1.00 0.97 C ATOM 1274 CG GLU A 81 2.873 -13.072 9.382 1.00 2.03 C ATOM 1275 CD GLU A 81 3.491 -13.213 8.020 1.00 2.14 C ATOM 1276 OE1 GLU A 81 4.453 -12.467 7.763 1.00 3.13 O ATOM 1277 OE2 GLU A 81 3.030 -14.064 7.232 1.00 2.24 O ATOM 0 H GLU A 81 0.963 -9.665 10.297 1.00 0.83 H new ATOM 0 HA GLU A 81 1.682 -12.235 11.525 1.00 0.84 H new ATOM 0 HB2 GLU A 81 1.337 -11.628 8.945 1.00 0.97 H new ATOM 0 HB3 GLU A 81 2.941 -10.939 9.099 1.00 0.97 H new ATOM 0 HG2 GLU A 81 3.627 -13.228 10.153 1.00 2.03 H new ATOM 0 HG3 GLU A 81 2.107 -13.834 9.526 1.00 2.03 H new ATOM 1284 N ASN A 82 3.560 -9.499 11.443 1.00 0.84 N ATOM 1285 CA ASN A 82 4.788 -8.904 11.934 1.00 1.08 C ATOM 1286 C ASN A 82 4.482 -8.196 13.246 1.00 1.17 C ATOM 1287 O ASN A 82 5.162 -8.413 14.248 1.00 1.47 O ATOM 1288 CB ASN A 82 5.381 -7.885 10.944 1.00 1.34 C ATOM 1289 CG ASN A 82 4.577 -7.552 9.706 1.00 1.63 C ATOM 1290 OD1 ASN A 82 3.870 -6.550 9.707 1.00 3.37 O ATOM 1291 ND2 ASN A 82 4.626 -8.368 8.661 1.00 1.20 N ATOM 0 H ASN A 82 2.977 -8.854 10.909 1.00 0.84 H new ATOM 0 HA ASN A 82 5.522 -9.698 12.067 1.00 1.08 H new ATOM 0 HB2 ASN A 82 5.560 -6.957 11.486 1.00 1.34 H new ATOM 0 HB3 ASN A 82 6.353 -8.258 10.621 1.00 1.34 H new ATOM 0 HD21 ASN A 82 4.067 -8.169 7.832 1.00 1.20 H new ATOM 0 HD22 ASN A 82 5.223 -9.195 8.687 1.00 1.20 H new ATOM 1298 N LEU A 83 3.486 -7.310 13.232 1.00 1.08 N ATOM 1299 CA LEU A 83 3.272 -6.347 14.298 1.00 1.26 C ATOM 1300 C LEU A 83 2.481 -7.030 15.399 1.00 1.36 C ATOM 1301 O LEU A 83 2.925 -7.091 16.541 1.00 1.66 O ATOM 1302 CB LEU A 83 2.529 -5.113 13.769 1.00 1.27 C ATOM 1303 CG LEU A 83 3.375 -4.257 12.814 1.00 1.21 C ATOM 1304 CD1 LEU A 83 2.498 -3.268 12.046 1.00 1.47 C ATOM 1305 CD2 LEU A 83 4.411 -3.441 13.587 1.00 1.63 C ATOM 0 H LEU A 83 2.805 -7.245 12.475 1.00 1.08 H new ATOM 0 HA LEU A 83 4.228 -6.003 14.692 1.00 1.26 H new ATOM 0 HB2 LEU A 83 1.625 -5.436 13.252 1.00 1.27 H new ATOM 0 HB3 LEU A 83 2.212 -4.499 14.612 1.00 1.27 H new ATOM 0 HG LEU A 83 3.867 -4.944 12.126 1.00 1.21 H new ATOM 0 HD11 LEU A 83 3.120 -2.674 11.377 1.00 1.47 H new ATOM 0 HD12 LEU A 83 1.757 -3.815 11.463 1.00 1.47 H new ATOM 0 HD13 LEU A 83 1.990 -2.609 12.750 1.00 1.47 H new ATOM 0 HD21 LEU A 83 4.998 -2.843 12.889 1.00 1.63 H new ATOM 0 HD22 LEU A 83 3.903 -2.782 14.292 1.00 1.63 H new ATOM 0 HD23 LEU A 83 5.072 -4.115 14.132 1.00 1.63 H new