USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.92) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.946 X(o=-0.95,f=-0.8) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0954 K(o=-0.095,f=-0.93) USER MOD Single : A 33 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 143:sc= -0.133 (180deg=-0.551) USER MOD Single : A 47 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.093) USER MOD Single : A 48 THR OG1 : rot 180:sc=6.61e-05 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.88 K(o=-1.9,f=-6.5!) USER MOD Single : A 58 THR OG1 : rot 93:sc= 0.155 USER MOD Single : A 65 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-7.4!) USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= -0.235 (180deg=-0.361) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= 0.13! F(o=-1.3,f=0.13!) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 7.896 10.420 -6.653 1.00 0.00 N ATOM 83 CA VAL A 7 8.066 8.976 -6.764 1.00 0.00 C ATOM 84 C VAL A 7 6.737 8.253 -6.572 1.00 0.00 C ATOM 85 O VAL A 7 6.130 8.320 -5.503 1.00 0.00 O ATOM 86 CB VAL A 7 9.086 8.451 -5.734 1.00 0.00 C ATOM 87 CG1 VAL A 7 8.641 8.789 -4.319 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.290 6.952 -5.894 1.00 0.00 C ATOM 0 HA VAL A 7 8.442 8.774 -7.767 1.00 0.00 H new ATOM 0 HB VAL A 7 10.041 8.943 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.374 8.410 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.557 9.871 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.673 8.329 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.014 6.603 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.341 6.437 -5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.662 6.740 -6.897 1.00 0.00 H new ATOM 98 N GLN A 8 6.291 7.560 -7.614 1.00 0.00 N ATOM 99 CA GLN A 8 5.034 6.822 -7.561 1.00 0.00 C ATOM 100 C GLN A 8 5.213 5.403 -8.093 1.00 0.00 C ATOM 101 O GLN A 8 5.823 5.196 -9.143 1.00 0.00 O ATOM 102 CB GLN A 8 3.959 7.551 -8.369 1.00 0.00 C ATOM 103 CG GLN A 8 3.108 8.496 -7.535 1.00 0.00 C ATOM 104 CD GLN A 8 1.844 8.929 -8.252 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.648 8.622 -9.428 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.980 9.648 -7.546 1.00 0.00 N ATOM 0 H GLN A 8 6.781 7.494 -8.506 1.00 0.00 H new ATOM 0 HA GLN A 8 4.719 6.762 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.438 8.116 -9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.311 6.814 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.841 8.007 -6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.696 9.377 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.183 9.879 -6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.113 9.969 -7.976 1.00 0.00 H new ATOM 115 N ARG A 9 4.678 4.430 -7.364 1.00 0.00 N ATOM 116 CA ARG A 9 4.779 3.031 -7.764 1.00 0.00 C ATOM 117 C ARG A 9 3.448 2.313 -7.571 1.00 0.00 C ATOM 118 O ARG A 9 2.837 2.395 -6.504 1.00 0.00 O ATOM 119 CB ARG A 9 5.876 2.328 -6.962 1.00 0.00 C ATOM 120 CG ARG A 9 6.830 1.511 -7.821 1.00 0.00 C ATOM 121 CD ARG A 9 7.783 2.402 -8.601 1.00 0.00 C ATOM 122 NE ARG A 9 7.867 2.016 -10.006 1.00 0.00 N ATOM 123 CZ ARG A 9 8.330 2.811 -10.969 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.754 4.036 -10.681 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.371 2.381 -12.222 1.00 0.00 N ATOM 0 H ARG A 9 4.170 4.584 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 9 5.037 2.998 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.446 3.075 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.412 1.673 -6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.401 0.833 -7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.259 0.894 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.452 3.438 -8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.775 2.353 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 9 7.552 1.081 -10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.726 4.372 -9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.108 4.641 -11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.048 1.441 -12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.726 2.990 -12.959 1.00 0.00 H new ATOM 139 N CYS A 10 3.004 1.610 -8.607 1.00 0.00 N ATOM 140 CA CYS A 10 1.743 0.877 -8.549 1.00 0.00 C ATOM 141 C CYS A 10 1.960 -0.537 -8.020 1.00 0.00 C ATOM 142 O CYS A 10 2.673 -1.335 -8.627 1.00 0.00 O ATOM 143 CB CYS A 10 1.098 0.823 -9.936 1.00 0.00 C ATOM 144 SG CYS A 10 0.312 2.370 -10.446 1.00 0.00 S ATOM 0 H CYS A 10 3.497 1.532 -9.496 1.00 0.00 H new ATOM 0 HA CYS A 10 1.076 1.402 -7.865 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.860 0.556 -10.669 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.352 0.028 -9.947 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.202 2.225 -11.631 1.00 0.00 H new ATOM 150 N VAL A 11 1.339 -0.838 -6.885 1.00 0.00 N ATOM 151 CA VAL A 11 1.463 -2.156 -6.274 1.00 0.00 C ATOM 152 C VAL A 11 0.094 -2.750 -5.966 1.00 0.00 C ATOM 153 O VAL A 11 -0.598 -2.300 -5.051 1.00 0.00 O ATOM 154 CB VAL A 11 2.289 -2.098 -4.975 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.735 -1.733 -5.275 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.674 -1.111 -3.995 1.00 0.00 C ATOM 0 H VAL A 11 0.745 -0.188 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 11 1.978 -2.791 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 11 2.277 -3.086 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.302 -1.697 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.170 -2.483 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.771 -0.757 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.271 -1.084 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.652 -0.118 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.658 -1.423 -3.754 1.00 0.00 H new ATOM 166 N ILE A 12 -0.294 -3.762 -6.733 1.00 0.00 N ATOM 167 CA ILE A 12 -1.582 -4.417 -6.540 1.00 0.00 C ATOM 168 C ILE A 12 -1.496 -5.494 -5.464 1.00 0.00 C ATOM 169 O ILE A 12 -0.600 -6.339 -5.485 1.00 0.00 O ATOM 170 CB ILE A 12 -2.091 -5.055 -7.849 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.999 -4.053 -9.003 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.520 -5.547 -7.675 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.035 -4.473 -10.091 1.00 0.00 C ATOM 0 H ILE A 12 0.265 -4.147 -7.494 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.284 -3.645 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.460 -5.911 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.990 -3.920 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.691 -3.085 -8.609 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.867 -5.995 -8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.554 -6.291 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.165 -4.708 -7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.020 -3.717 -10.876 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.035 -4.579 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.354 -5.427 -10.512 1.00 0.00 H new ATOM 185 N ILE A 13 -2.433 -5.457 -4.522 1.00 0.00 N ATOM 186 CA ILE A 13 -2.464 -6.430 -3.436 1.00 0.00 C ATOM 187 C ILE A 13 -3.623 -7.405 -3.607 1.00 0.00 C ATOM 188 O ILE A 13 -4.735 -7.010 -3.953 1.00 0.00 O ATOM 189 CB ILE A 13 -2.586 -5.738 -2.065 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.588 -4.584 -1.958 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.366 -6.742 -0.943 1.00 0.00 C ATOM 192 CD1 ILE A 13 -0.144 -5.023 -2.054 1.00 0.00 C ATOM 0 H ILE A 13 -3.181 -4.764 -4.489 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.523 -6.978 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.593 -5.331 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.793 -3.862 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.740 -4.069 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.455 -6.238 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.114 -7.532 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.371 -7.177 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.507 -4.153 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.078 -5.722 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.025 -5.511 -3.014 1.00 0.00 H new ATOM 204 N GLN A 14 -3.354 -8.684 -3.362 1.00 0.00 N ATOM 205 CA GLN A 14 -4.375 -9.718 -3.489 1.00 0.00 C ATOM 206 C GLN A 14 -4.762 -10.272 -2.122 1.00 0.00 C ATOM 207 O GLN A 14 -3.902 -10.567 -1.294 1.00 0.00 O ATOM 208 CB GLN A 14 -3.873 -10.851 -4.387 1.00 0.00 C ATOM 209 CG GLN A 14 -3.329 -10.372 -5.723 1.00 0.00 C ATOM 210 CD GLN A 14 -2.179 -11.224 -6.223 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.335 -11.666 -5.444 1.00 0.00 O ATOM 212 NE2 GLN A 14 -2.142 -11.459 -7.530 1.00 0.00 N ATOM 0 H GLN A 14 -2.438 -9.029 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.258 -9.268 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.092 -11.401 -3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.690 -11.550 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.131 -10.380 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.996 -9.339 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.863 -11.072 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.392 -12.026 -7.925 1.00 0.00 H new ATOM 221 N LYS A 15 -6.065 -10.410 -1.893 1.00 0.00 N ATOM 222 CA LYS A 15 -6.568 -10.929 -0.626 1.00 0.00 C ATOM 223 C LYS A 15 -6.205 -12.402 -0.461 1.00 0.00 C ATOM 224 O LYS A 15 -6.537 -13.232 -1.306 1.00 0.00 O ATOM 225 CB LYS A 15 -8.085 -10.752 -0.546 1.00 0.00 C ATOM 226 CG LYS A 15 -8.670 -11.126 0.806 1.00 0.00 C ATOM 227 CD LYS A 15 -10.123 -11.555 0.684 1.00 0.00 C ATOM 228 CE LYS A 15 -10.525 -12.495 1.809 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.128 -11.761 2.956 1.00 0.00 N ATOM 0 H LYS A 15 -6.791 -10.170 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.101 -10.366 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.333 -9.714 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.555 -11.362 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.086 -11.935 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.596 -10.275 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.765 -10.674 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.278 -12.048 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.238 -13.229 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.650 -13.047 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.389 -12.437 3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.439 -11.079 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.978 -11.254 2.636 1.00 0.00 H new ATOM 243 N ASP A 16 -5.522 -12.717 0.636 1.00 0.00 N ATOM 244 CA ASP A 16 -5.114 -14.091 0.911 1.00 0.00 C ATOM 245 C ASP A 16 -6.217 -14.849 1.645 1.00 0.00 C ATOM 246 O ASP A 16 -7.342 -14.366 1.766 1.00 0.00 O ATOM 247 CB ASP A 16 -3.830 -14.106 1.743 1.00 0.00 C ATOM 248 CG ASP A 16 -2.760 -13.199 1.169 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.600 -13.179 -0.070 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.082 -12.507 1.958 1.00 0.00 O ATOM 0 H ASP A 16 -5.240 -12.042 1.347 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.928 -14.587 -0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.057 -13.795 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.448 -15.125 1.798 1.00 0.00 H new ATOM 255 N ASP A 17 -5.884 -16.041 2.131 1.00 0.00 N ATOM 256 CA ASP A 17 -6.846 -16.867 2.852 1.00 0.00 C ATOM 257 C ASP A 17 -7.371 -16.140 4.086 1.00 0.00 C ATOM 258 O ASP A 17 -8.513 -16.339 4.498 1.00 0.00 O ATOM 259 CB ASP A 17 -6.201 -18.192 3.265 1.00 0.00 C ATOM 260 CG ASP A 17 -4.907 -17.993 4.026 1.00 0.00 C ATOM 261 OD1 ASP A 17 -4.970 -17.752 5.250 1.00 0.00 O ATOM 262 OD2 ASP A 17 -3.830 -18.082 3.402 1.00 0.00 O ATOM 0 H ASP A 17 -4.957 -16.456 2.039 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.685 -17.069 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.900 -18.756 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.007 -18.791 2.375 1.00 0.00 H new ATOM 267 N ASN A 18 -6.528 -15.296 4.673 1.00 0.00 N ATOM 268 CA ASN A 18 -6.907 -14.538 5.863 1.00 0.00 C ATOM 269 C ASN A 18 -7.027 -13.045 5.557 1.00 0.00 C ATOM 270 O ASN A 18 -7.309 -12.244 6.449 1.00 0.00 O ATOM 271 CB ASN A 18 -5.886 -14.759 6.982 1.00 0.00 C ATOM 272 CG ASN A 18 -4.456 -14.756 6.475 1.00 0.00 C ATOM 273 OD1 ASN A 18 -3.773 -15.781 6.503 1.00 0.00 O ATOM 274 ND2 ASN A 18 -3.994 -13.601 6.010 1.00 0.00 N ATOM 0 H ASN A 18 -5.578 -15.119 4.345 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.882 -14.899 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.003 -13.979 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.091 -15.710 7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.039 -13.539 5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.594 -12.776 6.005 1.00 0.00 H new ATOM 281 N GLY A 19 -6.814 -12.672 4.297 1.00 0.00 N ATOM 282 CA GLY A 19 -6.907 -11.277 3.912 1.00 0.00 C ATOM 283 C GLY A 19 -5.549 -10.653 3.655 1.00 0.00 C ATOM 284 O GLY A 19 -4.569 -11.359 3.419 1.00 0.00 O ATOM 0 H GLY A 19 -6.579 -13.312 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.518 -11.192 3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.416 -10.720 4.698 1.00 0.00 H new ATOM 288 N PHE A 20 -5.491 -9.326 3.698 1.00 0.00 N ATOM 289 CA PHE A 20 -4.244 -8.607 3.467 1.00 0.00 C ATOM 290 C PHE A 20 -3.375 -8.610 4.721 1.00 0.00 C ATOM 291 O PHE A 20 -3.743 -8.029 5.743 1.00 0.00 O ATOM 292 CB PHE A 20 -4.531 -7.167 3.034 1.00 0.00 C ATOM 293 CG PHE A 20 -5.638 -7.053 2.024 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.400 -7.306 0.683 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.917 -6.690 2.418 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.417 -7.201 -0.246 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.937 -6.584 1.492 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.686 -6.838 0.158 1.00 0.00 C ATOM 0 H PHE A 20 -6.294 -8.727 3.891 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.703 -9.116 2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.790 -6.577 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.622 -6.734 2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.409 -7.588 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.118 -6.488 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.219 -7.403 -1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.930 -6.303 1.811 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.481 -6.753 -0.568 1.00 0.00 H new ATOM 308 N GLY A 21 -2.224 -9.269 4.635 1.00 0.00 N ATOM 309 CA GLY A 21 -1.323 -9.334 5.771 1.00 0.00 C ATOM 310 C GLY A 21 -0.726 -7.985 6.119 1.00 0.00 C ATOM 311 O GLY A 21 -0.415 -7.716 7.279 1.00 0.00 O ATOM 0 H GLY A 21 -1.900 -9.758 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.861 -9.723 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.519 -10.038 5.553 1.00 0.00 H new ATOM 315 N LEU A 22 -0.567 -7.134 5.111 1.00 0.00 N ATOM 316 CA LEU A 22 -0.003 -5.805 5.314 1.00 0.00 C ATOM 317 C LEU A 22 -0.858 -4.994 6.284 1.00 0.00 C ATOM 318 O LEU A 22 -2.086 -5.015 6.210 1.00 0.00 O ATOM 319 CB LEU A 22 0.111 -5.067 3.978 1.00 0.00 C ATOM 320 CG LEU A 22 -1.218 -4.791 3.275 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.767 -3.433 3.686 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.049 -4.865 1.765 1.00 0.00 C ATOM 0 H LEU A 22 -0.821 -7.341 4.145 1.00 0.00 H new ATOM 0 HA LEU A 22 0.992 -5.921 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.619 -4.118 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.743 -5.652 3.310 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.933 -5.556 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.713 -3.254 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.927 -3.416 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.054 -2.655 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.005 -4.666 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.319 -4.122 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.702 -5.860 1.486 1.00 0.00 H new ATOM 334 N THR A 23 -0.199 -4.281 7.192 1.00 0.00 N ATOM 335 CA THR A 23 -0.899 -3.464 8.176 1.00 0.00 C ATOM 336 C THR A 23 -0.879 -1.992 7.773 1.00 0.00 C ATOM 337 O THR A 23 0.148 -1.471 7.340 1.00 0.00 O ATOM 338 CB THR A 23 -0.264 -3.636 9.557 1.00 0.00 C ATOM 339 OG1 THR A 23 0.262 -4.942 9.707 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.234 -3.397 10.695 1.00 0.00 C ATOM 0 H THR A 23 0.818 -4.253 7.266 1.00 0.00 H new ATOM 0 HA THR A 23 -1.936 -3.797 8.217 1.00 0.00 H new ATOM 0 HB THR A 23 0.524 -2.885 9.609 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.665 -5.032 10.596 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.720 -3.535 11.646 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.621 -2.380 10.636 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.060 -4.104 10.623 1.00 0.00 H new ATOM 348 N VAL A 24 -2.020 -1.327 7.922 1.00 0.00 N ATOM 349 CA VAL A 24 -2.133 0.085 7.575 1.00 0.00 C ATOM 350 C VAL A 24 -2.838 0.867 8.680 1.00 0.00 C ATOM 351 O VAL A 24 -3.869 0.438 9.198 1.00 0.00 O ATOM 352 CB VAL A 24 -2.897 0.276 6.250 1.00 0.00 C ATOM 353 CG1 VAL A 24 -4.322 -0.244 6.369 1.00 0.00 C ATOM 354 CG2 VAL A 24 -2.888 1.741 5.833 1.00 0.00 C ATOM 0 H VAL A 24 -2.879 -1.743 8.281 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.119 0.467 7.457 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.391 -0.302 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.842 -0.099 5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.303 -1.306 6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.843 0.300 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.432 1.856 4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.366 2.342 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.859 2.075 5.698 1.00 0.00 H new ATOM 364 N SER A 25 -2.273 2.018 9.036 1.00 0.00 N ATOM 365 CA SER A 25 -2.848 2.860 10.078 1.00 0.00 C ATOM 366 C SER A 25 -2.549 4.332 9.814 1.00 0.00 C ATOM 367 O SER A 25 -1.432 4.692 9.443 1.00 0.00 O ATOM 368 CB SER A 25 -2.302 2.455 11.450 1.00 0.00 C ATOM 369 OG SER A 25 -3.240 2.735 12.474 1.00 0.00 O ATOM 0 H SER A 25 -1.419 2.387 8.618 1.00 0.00 H new ATOM 0 HA SER A 25 -3.929 2.719 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.064 1.391 11.451 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.373 2.989 11.647 1.00 0.00 H new ATOM 0 HG SER A 25 -2.869 2.466 13.340 1.00 0.00 H new ATOM 375 N GLY A 26 -3.555 5.181 10.007 1.00 0.00 N ATOM 376 CA GLY A 26 -3.378 6.603 9.784 1.00 0.00 C ATOM 377 C GLY A 26 -4.651 7.391 10.022 1.00 0.00 C ATOM 378 O GLY A 26 -5.712 7.038 9.507 1.00 0.00 O ATOM 0 H GLY A 26 -4.489 4.908 10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.595 6.976 10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.038 6.768 8.761 1.00 0.00 H new ATOM 382 N ASP A 27 -4.547 8.462 10.804 1.00 0.00 N ATOM 383 CA ASP A 27 -5.700 9.301 11.107 1.00 0.00 C ATOM 384 C ASP A 27 -6.194 10.018 9.853 1.00 0.00 C ATOM 385 O ASP A 27 -7.248 9.687 9.312 1.00 0.00 O ATOM 386 CB ASP A 27 -5.347 10.322 12.190 1.00 0.00 C ATOM 387 CG ASP A 27 -6.554 11.114 12.656 1.00 0.00 C ATOM 388 OD1 ASP A 27 -7.439 10.518 13.307 1.00 0.00 O ATOM 389 OD2 ASP A 27 -6.617 12.327 12.365 1.00 0.00 O ATOM 0 H ASP A 27 -3.676 8.768 11.238 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.499 8.658 11.475 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.904 9.805 13.042 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.592 11.008 11.806 1.00 0.00 H new ATOM 394 N ASN A 28 -5.424 11.000 9.394 1.00 0.00 N ATOM 395 CA ASN A 28 -5.786 11.757 8.201 1.00 0.00 C ATOM 396 C ASN A 28 -5.368 11.009 6.937 1.00 0.00 C ATOM 397 O ASN A 28 -6.212 10.642 6.118 1.00 0.00 O ATOM 398 CB ASN A 28 -5.140 13.145 8.234 1.00 0.00 C ATOM 399 CG ASN A 28 -6.089 14.210 8.745 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.059 13.913 9.438 1.00 0.00 O ATOM 401 ND2 ASN A 28 -5.809 15.463 8.402 1.00 0.00 N ATOM 0 H ASN A 28 -4.548 11.289 9.829 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.870 11.875 8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.254 13.116 8.869 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.805 13.411 7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.411 16.224 8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.992 15.663 7.825 1.00 0.00 H new ATOM 408 N PRO A 29 -4.057 10.769 6.758 1.00 0.00 N ATOM 409 CA PRO A 29 -3.539 10.059 5.587 1.00 0.00 C ATOM 410 C PRO A 29 -3.745 8.551 5.691 1.00 0.00 C ATOM 411 O PRO A 29 -4.477 8.075 6.560 1.00 0.00 O ATOM 412 CB PRO A 29 -2.051 10.397 5.610 1.00 0.00 C ATOM 413 CG PRO A 29 -1.733 10.589 7.052 1.00 0.00 C ATOM 414 CD PRO A 29 -2.975 11.168 7.682 1.00 0.00 C ATOM 0 HA PRO A 29 -4.045 10.353 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.455 9.594 5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.840 11.298 5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.463 9.643 7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.883 11.260 7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.138 10.771 8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.908 12.252 7.776 1.00 0.00 H new ATOM 422 N VAL A 30 -3.096 7.804 4.805 1.00 0.00 N ATOM 423 CA VAL A 30 -3.210 6.353 4.803 1.00 0.00 C ATOM 424 C VAL A 30 -1.960 5.705 4.214 1.00 0.00 C ATOM 425 O VAL A 30 -1.753 5.716 3.000 1.00 0.00 O ATOM 426 CB VAL A 30 -4.450 5.885 4.012 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.377 6.355 2.565 1.00 0.00 C ATOM 428 CG2 VAL A 30 -4.598 4.371 4.087 1.00 0.00 C ATOM 0 H VAL A 30 -2.486 8.181 4.080 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.319 6.041 5.842 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.334 6.333 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.261 6.014 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.333 7.444 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.484 5.944 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.478 4.063 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.712 3.897 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.710 4.067 5.128 1.00 0.00 H new ATOM 438 N PHE A 31 -1.129 5.142 5.085 1.00 0.00 N ATOM 439 CA PHE A 31 0.103 4.490 4.655 1.00 0.00 C ATOM 440 C PHE A 31 0.232 3.106 5.284 1.00 0.00 C ATOM 441 O PHE A 31 -0.342 2.837 6.339 1.00 0.00 O ATOM 442 CB PHE A 31 1.314 5.347 5.025 1.00 0.00 C ATOM 443 CG PHE A 31 1.391 5.673 6.489 1.00 0.00 C ATOM 444 CD1 PHE A 31 2.039 4.819 7.369 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.818 6.832 6.985 1.00 0.00 C ATOM 446 CE1 PHE A 31 2.112 5.116 8.716 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.889 7.135 8.332 1.00 0.00 C ATOM 448 CZ PHE A 31 1.536 6.275 9.198 1.00 0.00 C ATOM 0 H PHE A 31 -1.286 5.124 6.093 1.00 0.00 H new ATOM 0 HA PHE A 31 0.066 4.375 3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.223 4.824 4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.280 6.276 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.492 3.912 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.310 7.507 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.619 4.443 9.391 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.439 8.043 8.707 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.591 6.509 10.251 1.00 0.00 H new ATOM 458 N VAL A 32 0.990 2.232 4.631 1.00 0.00 N ATOM 459 CA VAL A 32 1.193 0.877 5.127 1.00 0.00 C ATOM 460 C VAL A 32 2.439 0.794 6.005 1.00 0.00 C ATOM 461 O VAL A 32 3.545 1.100 5.559 1.00 0.00 O ATOM 462 CB VAL A 32 1.323 -0.133 3.971 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.368 -1.556 4.505 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.181 0.036 2.980 1.00 0.00 C ATOM 0 H VAL A 32 1.474 2.438 3.757 1.00 0.00 H new ATOM 0 HA VAL A 32 0.315 0.623 5.721 1.00 0.00 H new ATOM 0 HB VAL A 32 2.259 0.064 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.460 -2.254 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.225 -1.668 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.452 -1.767 5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.291 -0.686 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.769 -0.130 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.202 1.046 2.570 1.00 0.00 H new ATOM 474 N GLN A 33 2.250 0.382 7.254 1.00 0.00 N ATOM 475 CA GLN A 33 3.357 0.259 8.195 1.00 0.00 C ATOM 476 C GLN A 33 4.041 -1.098 8.059 1.00 0.00 C ATOM 477 O GLN A 33 5.246 -1.221 8.279 1.00 0.00 O ATOM 478 CB GLN A 33 2.858 0.449 9.629 1.00 0.00 C ATOM 479 CG GLN A 33 1.678 -0.439 9.985 1.00 0.00 C ATOM 480 CD GLN A 33 1.717 -0.909 11.426 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.529 -2.093 11.711 1.00 0.00 O ATOM 482 NE2 GLN A 33 1.962 0.017 12.345 1.00 0.00 N ATOM 0 H GLN A 33 1.340 0.127 7.638 1.00 0.00 H new ATOM 0 HA GLN A 33 4.085 1.037 7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.676 0.246 10.320 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.573 1.492 9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.751 0.107 9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.668 -1.306 9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.112 0.986 12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.000 -0.241 13.331 1.00 0.00 H new ATOM 491 N SER A 34 3.265 -2.114 7.693 1.00 0.00 N ATOM 492 CA SER A 34 3.797 -3.461 7.529 1.00 0.00 C ATOM 493 C SER A 34 3.273 -4.101 6.248 1.00 0.00 C ATOM 494 O SER A 34 2.149 -3.833 5.821 1.00 0.00 O ATOM 495 CB SER A 34 3.427 -4.328 8.734 1.00 0.00 C ATOM 496 OG SER A 34 4.379 -5.358 8.934 1.00 0.00 O ATOM 0 H SER A 34 2.266 -2.029 7.505 1.00 0.00 H new ATOM 0 HA SER A 34 4.883 -3.390 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.366 -3.707 9.628 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.440 -4.765 8.582 1.00 0.00 H new ATOM 0 HG SER A 34 4.120 -5.896 9.711 1.00 0.00 H new ATOM 502 N VAL A 35 4.094 -4.949 5.637 1.00 0.00 N ATOM 503 CA VAL A 35 3.714 -5.629 4.406 1.00 0.00 C ATOM 504 C VAL A 35 3.963 -7.130 4.507 1.00 0.00 C ATOM 505 O VAL A 35 4.913 -7.569 5.155 1.00 0.00 O ATOM 506 CB VAL A 35 4.488 -5.076 3.194 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.028 -3.664 2.865 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.986 -5.109 3.458 1.00 0.00 C ATOM 0 H VAL A 35 5.028 -5.181 5.976 1.00 0.00 H new ATOM 0 HA VAL A 35 2.649 -5.447 4.263 1.00 0.00 H new ATOM 0 HB VAL A 35 4.280 -5.710 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.586 -3.290 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.964 -3.674 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.204 -3.015 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.517 -4.715 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.215 -4.499 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.301 -6.137 3.640 1.00 0.00 H new ATOM 518 N LYS A 36 3.103 -7.913 3.863 1.00 0.00 N ATOM 519 CA LYS A 36 3.230 -9.365 3.882 1.00 0.00 C ATOM 520 C LYS A 36 4.557 -9.802 3.269 1.00 0.00 C ATOM 521 O LYS A 36 4.732 -9.760 2.052 1.00 0.00 O ATOM 522 CB LYS A 36 2.067 -10.010 3.127 1.00 0.00 C ATOM 523 CG LYS A 36 2.111 -11.530 3.122 1.00 0.00 C ATOM 524 CD LYS A 36 1.455 -12.113 4.365 1.00 0.00 C ATOM 525 CE LYS A 36 2.466 -12.817 5.256 1.00 0.00 C ATOM 526 NZ LYS A 36 1.913 -14.068 5.843 1.00 0.00 N ATOM 0 H LYS A 36 2.311 -7.566 3.322 1.00 0.00 H new ATOM 0 HA LYS A 36 3.205 -9.694 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.129 -9.684 3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.070 -9.652 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.606 -11.906 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.147 -11.864 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.967 -11.316 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.677 -12.817 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.359 -13.052 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.773 -12.145 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.633 -14.518 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.076 -13.842 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.643 -14.720 5.079 1.00 0.00 H new ATOM 540 N GLU A 37 5.486 -10.223 4.119 1.00 0.00 N ATOM 541 CA GLU A 37 6.797 -10.668 3.660 1.00 0.00 C ATOM 542 C GLU A 37 6.698 -12.025 2.969 1.00 0.00 C ATOM 543 O GLU A 37 6.060 -12.947 3.478 1.00 0.00 O ATOM 544 CB GLU A 37 7.773 -10.747 4.837 1.00 0.00 C ATOM 545 CG GLU A 37 8.866 -9.691 4.790 1.00 0.00 C ATOM 546 CD GLU A 37 9.131 -9.066 6.146 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.817 -9.707 6.971 1.00 0.00 O ATOM 548 OE2 GLU A 37 8.652 -7.938 6.384 1.00 0.00 O ATOM 0 H GLU A 37 5.356 -10.266 5.130 1.00 0.00 H new ATOM 0 HA GLU A 37 7.170 -9.941 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.216 -10.641 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.233 -11.735 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.785 -10.141 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.582 -8.911 4.084 1.00 0.00 H new ATOM 555 N ASP A 38 7.332 -12.138 1.807 1.00 0.00 N ATOM 556 CA ASP A 38 7.316 -13.382 1.046 1.00 0.00 C ATOM 557 C ASP A 38 5.891 -13.772 0.669 1.00 0.00 C ATOM 558 O ASP A 38 5.570 -14.955 0.558 1.00 0.00 O ATOM 559 CB ASP A 38 7.969 -14.506 1.851 1.00 0.00 C ATOM 560 CG ASP A 38 8.511 -15.611 0.967 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.858 -15.323 -0.198 1.00 0.00 O ATOM 562 OD2 ASP A 38 8.591 -16.765 1.439 1.00 0.00 O ATOM 0 H ASP A 38 7.863 -11.384 1.372 1.00 0.00 H new ATOM 0 HA ASP A 38 7.884 -13.224 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.780 -14.095 2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.239 -14.924 2.544 1.00 0.00 H new ATOM 567 N GLY A 39 5.039 -12.771 0.477 1.00 0.00 N ATOM 568 CA GLY A 39 3.658 -13.030 0.115 1.00 0.00 C ATOM 569 C GLY A 39 3.162 -12.105 -0.978 1.00 0.00 C ATOM 570 O GLY A 39 3.929 -11.693 -1.848 1.00 0.00 O ATOM 0 H GLY A 39 5.280 -11.784 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.560 -14.064 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.027 -12.917 0.997 1.00 0.00 H new ATOM 574 N ALA A 40 1.874 -11.779 -0.935 1.00 0.00 N ATOM 575 CA ALA A 40 1.275 -10.897 -1.928 1.00 0.00 C ATOM 576 C ALA A 40 1.934 -9.522 -1.911 1.00 0.00 C ATOM 577 O ALA A 40 2.175 -8.925 -2.960 1.00 0.00 O ATOM 578 CB ALA A 40 -0.221 -10.770 -1.687 1.00 0.00 C ATOM 0 H ALA A 40 1.225 -12.113 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 40 1.437 -11.336 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.655 -10.108 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.686 -11.753 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.396 -10.357 -0.693 1.00 0.00 H new ATOM 584 N ALA A 41 2.223 -9.025 -0.714 1.00 0.00 N ATOM 585 CA ALA A 41 2.854 -7.720 -0.560 1.00 0.00 C ATOM 586 C ALA A 41 4.258 -7.715 -1.154 1.00 0.00 C ATOM 587 O ALA A 41 4.625 -6.804 -1.896 1.00 0.00 O ATOM 588 CB ALA A 41 2.898 -7.327 0.910 1.00 0.00 C ATOM 0 H ALA A 41 2.030 -9.506 0.164 1.00 0.00 H new ATOM 0 HA ALA A 41 2.257 -6.988 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.372 -6.351 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.883 -7.281 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.471 -8.068 1.468 1.00 0.00 H new ATOM 594 N MET A 42 5.039 -8.738 -0.821 1.00 0.00 N ATOM 595 CA MET A 42 6.403 -8.852 -1.322 1.00 0.00 C ATOM 596 C MET A 42 6.416 -8.994 -2.840 1.00 0.00 C ATOM 597 O MET A 42 7.245 -8.393 -3.524 1.00 0.00 O ATOM 598 CB MET A 42 7.105 -10.048 -0.679 1.00 0.00 C ATOM 599 CG MET A 42 8.558 -9.783 -0.325 1.00 0.00 C ATOM 600 SD MET A 42 8.742 -8.579 1.005 1.00 0.00 S ATOM 601 CE MET A 42 9.393 -7.175 0.104 1.00 0.00 C ATOM 0 H MET A 42 4.750 -9.499 -0.207 1.00 0.00 H new ATOM 0 HA MET A 42 6.938 -7.940 -1.058 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.566 -10.332 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.055 -10.897 -1.360 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.032 -10.719 -0.030 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.084 -9.424 -1.210 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.977 -6.255 0.514 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.479 -7.155 0.196 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.120 -7.259 -0.948 1.00 0.00 H new ATOM 611 N ARG A 43 5.491 -9.793 -3.361 1.00 0.00 N ATOM 612 CA ARG A 43 5.395 -10.017 -4.799 1.00 0.00 C ATOM 613 C ARG A 43 5.030 -8.727 -5.527 1.00 0.00 C ATOM 614 O ARG A 43 5.513 -8.466 -6.628 1.00 0.00 O ATOM 615 CB ARG A 43 4.357 -11.098 -5.101 1.00 0.00 C ATOM 616 CG ARG A 43 4.309 -11.504 -6.564 1.00 0.00 C ATOM 617 CD ARG A 43 3.320 -10.655 -7.346 1.00 0.00 C ATOM 618 NE ARG A 43 3.819 -10.316 -8.676 1.00 0.00 N ATOM 619 CZ ARG A 43 3.337 -9.320 -9.416 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.343 -8.566 -8.963 1.00 0.00 N ATOM 621 NH2 ARG A 43 3.849 -9.079 -10.616 1.00 0.00 N ATOM 0 H ARG A 43 4.797 -10.296 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 43 6.370 -10.351 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.574 -11.978 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.373 -10.739 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.302 -11.405 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.029 -12.555 -6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.376 -11.192 -7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.112 -9.739 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 43 4.581 -10.875 -9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.943 -8.748 -8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.979 -7.804 -9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.611 -9.657 -10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.480 -8.316 -11.184 1.00 0.00 H new ATOM 635 N ALA A 44 4.173 -7.924 -4.904 1.00 0.00 N ATOM 636 CA ALA A 44 3.743 -6.662 -5.492 1.00 0.00 C ATOM 637 C ALA A 44 4.870 -5.631 -5.485 1.00 0.00 C ATOM 638 O ALA A 44 4.803 -4.621 -6.188 1.00 0.00 O ATOM 639 CB ALA A 44 2.529 -6.122 -4.753 1.00 0.00 C ATOM 0 H ALA A 44 3.763 -8.126 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 44 3.471 -6.852 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.219 -5.179 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.713 -6.842 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.784 -5.958 -3.706 1.00 0.00 H new ATOM 645 N GLY A 45 5.907 -5.889 -4.691 1.00 0.00 N ATOM 646 CA GLY A 45 7.028 -4.970 -4.616 1.00 0.00 C ATOM 647 C GLY A 45 6.747 -3.780 -3.718 1.00 0.00 C ATOM 648 O GLY A 45 7.181 -2.664 -4.003 1.00 0.00 O ATOM 0 H GLY A 45 5.990 -6.716 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.905 -5.501 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.270 -4.615 -5.618 1.00 0.00 H new ATOM 652 N VAL A 46 6.020 -4.019 -2.632 1.00 0.00 N ATOM 653 CA VAL A 46 5.683 -2.956 -1.691 1.00 0.00 C ATOM 654 C VAL A 46 6.767 -2.799 -0.630 1.00 0.00 C ATOM 655 O VAL A 46 7.432 -3.767 -0.259 1.00 0.00 O ATOM 656 CB VAL A 46 4.336 -3.228 -0.995 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.892 -2.012 -0.195 1.00 0.00 C ATOM 658 CG2 VAL A 46 3.277 -3.619 -2.014 1.00 0.00 C ATOM 0 H VAL A 46 5.653 -4.937 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 46 5.606 -2.035 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 46 4.468 -4.061 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.939 -2.223 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.641 -1.782 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.778 -1.159 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.333 -3.807 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.146 -2.809 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.592 -4.521 -2.538 1.00 0.00 H new ATOM 668 N GLN A 47 6.942 -1.575 -0.144 1.00 0.00 N ATOM 669 CA GLN A 47 7.947 -1.291 0.875 1.00 0.00 C ATOM 670 C GLN A 47 7.291 -0.917 2.199 1.00 0.00 C ATOM 671 O GLN A 47 6.168 -0.415 2.229 1.00 0.00 O ATOM 672 CB GLN A 47 8.878 -0.166 0.414 1.00 0.00 C ATOM 673 CG GLN A 47 8.182 0.913 -0.402 1.00 0.00 C ATOM 674 CD GLN A 47 8.962 2.213 -0.432 1.00 0.00 C ATOM 675 OE1 GLN A 47 9.288 2.780 0.610 1.00 0.00 O ATOM 676 NE2 GLN A 47 9.266 2.692 -1.633 1.00 0.00 N ATOM 0 H GLN A 47 6.401 -0.763 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 47 8.536 -2.196 1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.338 0.293 1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.684 -0.595 -0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.038 0.556 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.192 1.097 0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.975 2.189 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.790 3.563 -1.717 1.00 0.00 H new ATOM 685 N THR A 48 8.003 -1.169 3.293 1.00 0.00 N ATOM 686 CA THR A 48 7.497 -0.864 4.625 1.00 0.00 C ATOM 687 C THR A 48 7.417 0.642 4.848 1.00 0.00 C ATOM 688 O THR A 48 8.376 1.370 4.591 1.00 0.00 O ATOM 689 CB THR A 48 8.390 -1.501 5.691 1.00 0.00 C ATOM 690 OG1 THR A 48 8.843 -2.774 5.268 1.00 0.00 O ATOM 691 CG2 THR A 48 7.694 -1.680 7.023 1.00 0.00 C ATOM 0 H THR A 48 8.934 -1.585 3.282 1.00 0.00 H new ATOM 0 HA THR A 48 6.492 -1.278 4.706 1.00 0.00 H new ATOM 0 HB THR A 48 9.222 -0.810 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.414 -3.165 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.382 -2.137 7.735 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.374 -0.709 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.824 -2.324 6.895 1.00 0.00 H new ATOM 699 N GLY A 49 6.266 1.101 5.328 1.00 0.00 N ATOM 700 CA GLY A 49 6.080 2.518 5.579 1.00 0.00 C ATOM 701 C GLY A 49 5.797 3.296 4.312 1.00 0.00 C ATOM 702 O GLY A 49 6.175 4.462 4.193 1.00 0.00 O ATOM 0 H GLY A 49 5.459 0.517 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.255 2.655 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.973 2.920 6.057 1.00 0.00 H new ATOM 706 N ASP A 50 5.132 2.650 3.362 1.00 0.00 N ATOM 707 CA ASP A 50 4.798 3.286 2.094 1.00 0.00 C ATOM 708 C ASP A 50 3.511 4.097 2.214 1.00 0.00 C ATOM 709 O ASP A 50 2.546 3.657 2.839 1.00 0.00 O ATOM 710 CB ASP A 50 4.655 2.232 0.994 1.00 0.00 C ATOM 711 CG ASP A 50 3.478 1.305 1.228 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.338 1.700 0.908 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.698 0.184 1.734 1.00 0.00 O ATOM 0 H ASP A 50 4.813 1.685 3.446 1.00 0.00 H new ATOM 0 HA ASP A 50 5.608 3.966 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.536 2.730 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.571 1.644 0.937 1.00 0.00 H new ATOM 718 N ARG A 51 3.502 5.280 1.610 1.00 0.00 N ATOM 719 CA ARG A 51 2.330 6.148 1.648 1.00 0.00 C ATOM 720 C ARG A 51 1.392 5.835 0.490 1.00 0.00 C ATOM 721 O ARG A 51 1.838 5.555 -0.622 1.00 0.00 O ATOM 722 CB ARG A 51 2.754 7.618 1.594 1.00 0.00 C ATOM 723 CG ARG A 51 3.938 7.944 2.492 1.00 0.00 C ATOM 724 CD ARG A 51 5.162 8.360 1.686 1.00 0.00 C ATOM 725 NE ARG A 51 5.615 9.704 2.037 1.00 0.00 N ATOM 726 CZ ARG A 51 5.026 10.819 1.612 1.00 0.00 C ATOM 727 NH1 ARG A 51 3.963 10.756 0.821 1.00 0.00 N ATOM 728 NH2 ARG A 51 5.503 12.000 1.980 1.00 0.00 N ATOM 0 H ARG A 51 4.292 5.660 1.089 1.00 0.00 H new ATOM 0 HA ARG A 51 1.801 5.966 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.006 7.877 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.908 8.242 1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.664 8.746 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.183 7.074 3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.969 7.648 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.926 8.323 0.622 1.00 0.00 H new ATOM 0 HE ARG A 51 6.430 9.793 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.593 9.849 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.516 11.614 0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.320 12.053 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.053 12.856 1.655 1.00 0.00 H new ATOM 742 N ILE A 52 0.091 5.880 0.757 1.00 0.00 N ATOM 743 CA ILE A 52 -0.906 5.596 -0.268 1.00 0.00 C ATOM 744 C ILE A 52 -1.537 6.881 -0.794 1.00 0.00 C ATOM 745 O ILE A 52 -1.850 7.791 -0.026 1.00 0.00 O ATOM 746 CB ILE A 52 -2.016 4.672 0.267 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.406 3.446 0.949 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.944 4.249 -0.862 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.332 2.789 1.950 1.00 0.00 C ATOM 0 H ILE A 52 -0.297 6.110 1.672 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.386 5.091 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.600 5.222 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.130 2.716 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.487 3.741 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.723 3.596 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.402 5.132 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.373 3.715 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.835 1.927 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.588 3.504 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.241 2.463 1.445 1.00 0.00 H new ATOM 761 N ILE A 53 -1.718 6.948 -2.108 1.00 0.00 N ATOM 762 CA ILE A 53 -2.313 8.119 -2.740 1.00 0.00 C ATOM 763 C ILE A 53 -3.672 7.786 -3.346 1.00 0.00 C ATOM 764 O ILE A 53 -4.604 8.588 -3.283 1.00 0.00 O ATOM 765 CB ILE A 53 -1.398 8.688 -3.842 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.041 8.799 -3.337 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.909 10.044 -4.306 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.199 9.742 -2.163 1.00 0.00 C ATOM 0 H ILE A 53 -1.461 6.204 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.440 8.869 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.411 8.006 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.393 7.809 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.679 9.138 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.253 10.433 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.918 9.936 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.923 10.735 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.245 9.771 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.122 10.742 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.412 9.393 -1.331 1.00 0.00 H new ATOM 780 N LYS A 54 -3.777 6.599 -3.935 1.00 0.00 N ATOM 781 CA LYS A 54 -5.022 6.160 -4.552 1.00 0.00 C ATOM 782 C LYS A 54 -5.308 4.698 -4.223 1.00 0.00 C ATOM 783 O LYS A 54 -4.399 3.937 -3.890 1.00 0.00 O ATOM 784 CB LYS A 54 -4.959 6.349 -6.070 1.00 0.00 C ATOM 785 CG LYS A 54 -4.362 7.682 -6.492 1.00 0.00 C ATOM 786 CD LYS A 54 -4.438 7.875 -7.997 1.00 0.00 C ATOM 787 CE LYS A 54 -3.410 8.883 -8.482 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.578 9.197 -9.928 1.00 0.00 N ATOM 0 H LYS A 54 -3.014 5.924 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.831 6.770 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.369 5.542 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.965 6.265 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.892 8.493 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.322 7.734 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.276 6.920 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.437 8.212 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.498 9.800 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.408 8.491 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.858 9.888 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.469 8.327 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.525 9.596 -10.089 1.00 0.00 H new ATOM 802 N VAL A 55 -6.577 4.312 -4.320 1.00 0.00 N ATOM 803 CA VAL A 55 -6.982 2.943 -4.033 1.00 0.00 C ATOM 804 C VAL A 55 -8.025 2.458 -5.035 1.00 0.00 C ATOM 805 O VAL A 55 -9.195 2.833 -4.959 1.00 0.00 O ATOM 806 CB VAL A 55 -7.556 2.812 -2.609 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.467 3.025 -1.572 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.699 3.795 -2.403 1.00 0.00 C ATOM 0 H VAL A 55 -7.341 4.929 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.087 2.325 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.948 1.802 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.892 2.929 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.685 2.278 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.042 4.022 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.093 3.689 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.334 4.812 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.490 3.589 -3.124 1.00 0.00 H new ATOM 818 N ASN A 56 -7.593 1.621 -5.973 1.00 0.00 N ATOM 819 CA ASN A 56 -8.490 1.084 -6.991 1.00 0.00 C ATOM 820 C ASN A 56 -9.127 2.208 -7.803 1.00 0.00 C ATOM 821 O ASN A 56 -10.326 2.184 -8.083 1.00 0.00 O ATOM 822 CB ASN A 56 -9.575 0.224 -6.340 1.00 0.00 C ATOM 823 CG ASN A 56 -9.764 -1.104 -7.047 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.959 -2.023 -6.891 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.830 -1.210 -7.831 1.00 0.00 N ATOM 0 H ASN A 56 -6.628 1.300 -6.049 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.904 0.463 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.314 0.043 -5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.518 0.771 -6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.009 -2.079 -8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.470 -0.422 -7.930 1.00 0.00 H new ATOM 832 N GLY A 57 -8.316 3.192 -8.179 1.00 0.00 N ATOM 833 CA GLY A 57 -8.818 4.312 -8.954 1.00 0.00 C ATOM 834 C GLY A 57 -9.636 5.277 -8.117 1.00 0.00 C ATOM 835 O GLY A 57 -10.511 5.970 -8.635 1.00 0.00 O ATOM 0 H GLY A 57 -7.320 3.234 -7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.979 4.845 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.431 3.937 -9.774 1.00 0.00 H new ATOM 839 N THR A 58 -9.348 5.322 -6.820 1.00 0.00 N ATOM 840 CA THR A 58 -10.062 6.209 -5.909 1.00 0.00 C ATOM 841 C THR A 58 -9.091 7.111 -5.155 1.00 0.00 C ATOM 842 O THR A 58 -8.546 6.726 -4.120 1.00 0.00 O ATOM 843 CB THR A 58 -10.894 5.394 -4.918 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.652 4.406 -5.592 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.855 6.237 -4.107 1.00 0.00 C ATOM 0 H THR A 58 -8.625 4.755 -6.377 1.00 0.00 H new ATOM 0 HA THR A 58 -10.728 6.837 -6.501 1.00 0.00 H new ATOM 0 HB THR A 58 -10.171 4.941 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.148 3.566 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.414 5.597 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.296 6.977 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.548 6.745 -4.777 1.00 0.00 H new ATOM 945 N HIS A 65 -9.893 4.879 8.723 1.00 0.00 N ATOM 946 CA HIS A 65 -9.381 3.522 8.573 1.00 0.00 C ATOM 947 C HIS A 65 -10.466 2.586 8.045 1.00 0.00 C ATOM 948 O HIS A 65 -10.208 1.733 7.196 1.00 0.00 O ATOM 949 CB HIS A 65 -8.854 3.002 9.911 1.00 0.00 C ATOM 950 CG HIS A 65 -7.871 1.880 9.773 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.595 1.265 8.571 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.099 1.260 10.696 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.696 0.316 8.759 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.378 0.293 10.040 1.00 0.00 N ATOM 0 HA HIS A 65 -8.564 3.547 7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.382 3.823 10.450 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.695 2.665 10.517 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.058 1.484 11.752 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.290 -0.331 7.995 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.706 -0.340 10.472 1.00 0.00 H new ATOM 963 N LEU A 66 -11.681 2.752 8.556 1.00 0.00 N ATOM 964 CA LEU A 66 -12.803 1.922 8.140 1.00 0.00 C ATOM 965 C LEU A 66 -13.093 2.091 6.652 1.00 0.00 C ATOM 966 O LEU A 66 -13.420 1.127 5.961 1.00 0.00 O ATOM 967 CB LEU A 66 -14.051 2.262 8.956 1.00 0.00 C ATOM 968 CG LEU A 66 -14.295 3.759 9.174 1.00 0.00 C ATOM 969 CD1 LEU A 66 -15.759 4.102 8.940 1.00 0.00 C ATOM 970 CD2 LEU A 66 -13.865 4.174 10.572 1.00 0.00 C ATOM 0 H LEU A 66 -11.913 3.454 9.259 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.532 0.882 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.921 1.837 8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.974 1.776 9.929 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.694 4.313 8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.913 5.169 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -16.034 3.845 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.380 3.538 9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.046 5.240 10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.437 3.612 11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.803 3.967 10.702 1.00 0.00 H new ATOM 982 N GLU A 67 -12.975 3.322 6.162 1.00 0.00 N ATOM 983 CA GLU A 67 -13.231 3.604 4.755 1.00 0.00 C ATOM 984 C GLU A 67 -12.177 2.944 3.872 1.00 0.00 C ATOM 985 O GLU A 67 -12.503 2.330 2.855 1.00 0.00 O ATOM 986 CB GLU A 67 -13.254 5.114 4.508 1.00 0.00 C ATOM 987 CG GLU A 67 -14.653 5.706 4.502 1.00 0.00 C ATOM 988 CD GLU A 67 -15.472 5.258 3.308 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.873 4.975 2.250 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.714 5.191 3.431 1.00 0.00 O ATOM 0 H GLU A 67 -12.705 4.135 6.716 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.206 3.191 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.662 5.609 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.775 5.325 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.168 5.420 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.583 6.794 4.502 1.00 0.00 H new ATOM 997 N VAL A 68 -10.916 3.057 4.274 1.00 0.00 N ATOM 998 CA VAL A 68 -9.828 2.453 3.519 1.00 0.00 C ATOM 999 C VAL A 68 -9.914 0.935 3.607 1.00 0.00 C ATOM 1000 O VAL A 68 -9.729 0.232 2.612 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.448 2.930 4.018 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -8.275 2.628 5.496 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -7.332 2.297 3.200 1.00 0.00 C ATOM 0 H VAL A 68 -10.624 3.558 5.113 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.932 2.768 2.481 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.393 4.011 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.295 2.973 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.050 3.140 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.355 1.553 5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.368 2.647 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.384 1.212 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.444 2.578 2.153 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.219 0.433 4.802 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.353 -1.000 5.006 1.00 0.00 C ATOM 1015 C VAL A 69 -11.538 -1.530 4.207 1.00 0.00 C ATOM 1016 O VAL A 69 -11.446 -2.569 3.552 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.543 -1.350 6.498 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.714 -2.851 6.683 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.370 -0.838 7.318 1.00 0.00 C ATOM 0 H VAL A 69 -10.376 0.997 5.637 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.431 -1.469 4.662 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.450 -0.860 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.846 -3.074 7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.590 -3.188 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.829 -3.367 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.520 -1.093 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.448 -1.298 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.299 0.245 7.215 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.648 -0.798 4.254 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.845 -1.182 3.522 1.00 0.00 C ATOM 1031 C LYS A 70 -13.593 -1.103 2.020 1.00 0.00 C ATOM 1032 O LYS A 70 -14.016 -1.975 1.262 1.00 0.00 O ATOM 1033 CB LYS A 70 -15.021 -0.282 3.906 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.800 -0.781 5.112 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.017 0.089 5.389 1.00 0.00 C ATOM 1036 CE LYS A 70 -16.773 1.034 6.554 1.00 0.00 C ATOM 1037 NZ LYS A 70 -16.920 0.348 7.867 1.00 0.00 N ATOM 0 H LYS A 70 -12.740 0.064 4.792 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.095 -2.210 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.648 0.721 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.698 -0.200 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.118 -1.809 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.151 -0.790 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.264 0.665 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.877 -0.545 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.771 1.456 6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.475 1.866 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.282 1.021 8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.586 -0.445 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.995 -0.012 8.176 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.893 -0.053 1.602 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.574 0.139 0.193 1.00 0.00 C ATOM 1053 C LEU A 71 -11.646 -0.966 -0.296 1.00 0.00 C ATOM 1054 O LEU A 71 -11.910 -1.605 -1.315 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.925 1.506 -0.026 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.898 2.640 -0.353 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.299 3.985 0.034 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -13.260 2.620 -1.830 1.00 0.00 C ATOM 0 H LEU A 71 -12.536 0.677 2.219 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.501 0.097 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.367 1.774 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.202 1.422 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.809 2.492 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.005 4.780 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.090 3.996 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.373 4.143 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.953 3.433 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.357 2.745 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.730 1.668 -2.077 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.565 -1.195 0.443 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.608 -2.233 0.085 1.00 0.00 C ATOM 1072 C ILE A 72 -10.250 -3.613 0.189 1.00 0.00 C ATOM 1073 O ILE A 72 -9.959 -4.507 -0.607 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.356 -2.184 0.986 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.704 -0.804 0.915 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.361 -3.264 0.579 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.885 -0.460 2.140 1.00 0.00 C ATOM 0 H ILE A 72 -10.331 -0.677 1.290 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.302 -2.049 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.664 -2.371 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.063 -0.759 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.480 -0.050 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.485 -3.214 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.828 -4.244 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.058 -3.108 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.452 0.533 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.526 -0.473 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.087 -1.192 2.261 1.00 0.00 H new ATOM 1089 N LYS A 73 -11.125 -3.778 1.176 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.811 -5.047 1.386 1.00 0.00 C ATOM 1091 C LYS A 73 -12.795 -5.328 0.254 1.00 0.00 C ATOM 1092 O LYS A 73 -13.116 -6.483 -0.028 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.548 -5.036 2.726 1.00 0.00 C ATOM 1094 CG LYS A 73 -13.266 -6.339 3.037 1.00 0.00 C ATOM 1095 CD LYS A 73 -14.374 -6.136 4.056 1.00 0.00 C ATOM 1096 CE LYS A 73 -15.718 -5.898 3.383 1.00 0.00 C ATOM 1097 NZ LYS A 73 -16.730 -6.910 3.791 1.00 0.00 N ATOM 0 H LYS A 73 -11.375 -3.048 1.843 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.062 -5.839 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.834 -4.826 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.273 -4.222 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.685 -6.752 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.550 -7.068 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.440 -7.012 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.131 -5.287 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.079 -4.901 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.592 -5.926 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.631 -6.713 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.398 -7.859 3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.869 -6.866 4.821 1.00 0.00 H new ATOM 1111 N SER A 74 -13.272 -4.267 -0.393 1.00 0.00 N ATOM 1112 CA SER A 74 -14.219 -4.404 -1.495 1.00 0.00 C ATOM 1113 C SER A 74 -13.585 -5.145 -2.667 1.00 0.00 C ATOM 1114 O SER A 74 -13.147 -4.530 -3.639 1.00 0.00 O ATOM 1115 CB SER A 74 -14.708 -3.029 -1.948 1.00 0.00 C ATOM 1116 OG SER A 74 -15.751 -3.145 -2.900 1.00 0.00 O ATOM 0 H SER A 74 -13.018 -3.304 -0.173 1.00 0.00 H new ATOM 0 HA SER A 74 -15.071 -4.985 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.060 -2.463 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.878 -2.469 -2.380 1.00 0.00 H new ATOM 0 HG SER A 74 -16.047 -2.251 -3.172 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.540 -6.470 -2.569 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.957 -7.274 -3.627 1.00 0.00 C ATOM 1124 C GLY A 75 -11.644 -7.912 -3.213 1.00 0.00 C ATOM 1125 O GLY A 75 -10.861 -7.314 -2.478 1.00 0.00 O ATOM 0 H GLY A 75 -13.897 -7.001 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.661 -8.054 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.793 -6.650 -4.506 1.00 0.00 H new ATOM 1129 N SER A 76 -11.407 -9.130 -3.689 1.00 0.00 N ATOM 1130 CA SER A 76 -10.180 -9.848 -3.366 1.00 0.00 C ATOM 1131 C SER A 76 -8.964 -9.150 -3.965 1.00 0.00 C ATOM 1132 O SER A 76 -7.929 -9.011 -3.313 1.00 0.00 O ATOM 1133 CB SER A 76 -10.257 -11.288 -3.876 1.00 0.00 C ATOM 1134 OG SER A 76 -11.099 -11.382 -5.012 1.00 0.00 O ATOM 0 H SER A 76 -12.047 -9.639 -4.298 1.00 0.00 H new ATOM 0 HA SER A 76 -10.072 -9.858 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.258 -11.641 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.633 -11.937 -3.086 1.00 0.00 H new ATOM 0 HG SER A 76 -11.130 -12.312 -5.320 1.00 0.00 H new ATOM 1140 N TYR A 77 -9.098 -8.710 -5.212 1.00 0.00 N ATOM 1141 CA TYR A 77 -8.012 -8.025 -5.902 1.00 0.00 C ATOM 1142 C TYR A 77 -8.251 -6.520 -5.929 1.00 0.00 C ATOM 1143 O TYR A 77 -9.191 -6.040 -6.566 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.871 -8.557 -7.329 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.223 -9.920 -7.406 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -7.725 -10.992 -6.678 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -6.110 -10.136 -8.209 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -7.135 -12.240 -6.746 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.515 -11.381 -8.283 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.031 -12.430 -7.550 1.00 0.00 C ATOM 1151 OH TYR A 77 -5.440 -13.671 -7.621 1.00 0.00 O ATOM 0 H TYR A 77 -9.948 -8.816 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.088 -8.219 -5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.858 -8.607 -7.788 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.282 -7.851 -7.915 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.591 -10.848 -6.049 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.703 -9.318 -8.785 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.537 -13.062 -6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.650 -11.532 -8.912 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.675 -13.635 -8.233 1.00 0.00 H new ATOM 1161 N VAL A 78 -7.396 -5.775 -5.234 1.00 0.00 N ATOM 1162 CA VAL A 78 -7.516 -4.324 -5.178 1.00 0.00 C ATOM 1163 C VAL A 78 -6.155 -3.652 -5.322 1.00 0.00 C ATOM 1164 O VAL A 78 -5.212 -3.978 -4.600 1.00 0.00 O ATOM 1165 CB VAL A 78 -8.166 -3.866 -3.859 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -8.471 -2.376 -3.903 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -9.426 -4.669 -3.576 1.00 0.00 C ATOM 0 H VAL A 78 -6.613 -6.154 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.153 -4.027 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.461 -4.045 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.930 -2.071 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.546 -1.820 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.156 -2.169 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.871 -4.331 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.138 -4.526 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.173 -5.726 -3.496 1.00 0.00 H new ATOM 1177 N ALA A 79 -6.060 -2.712 -6.255 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.814 -1.992 -6.492 1.00 0.00 C ATOM 1179 C ALA A 79 -4.745 -0.728 -5.643 1.00 0.00 C ATOM 1180 O ALA A 79 -5.767 -0.110 -5.349 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.675 -1.650 -7.967 1.00 0.00 C ATOM 0 H ALA A 79 -6.831 -2.430 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.986 -2.639 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.741 -1.113 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.673 -2.568 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.512 -1.024 -8.276 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.533 -0.347 -5.252 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.335 0.844 -4.435 1.00 0.00 C ATOM 1189 C LEU A 80 -2.050 1.570 -4.825 1.00 0.00 C ATOM 1190 O LEU A 80 -0.953 1.032 -4.679 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.290 0.470 -2.952 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.275 -0.621 -2.528 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -3.660 -1.998 -2.719 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -4.700 -0.421 -1.081 1.00 0.00 C ATOM 0 H LEU A 80 -2.675 -0.845 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.176 1.514 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.280 0.141 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.486 1.365 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.161 -0.551 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.375 -2.762 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.405 -2.140 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.758 -2.081 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.401 -1.206 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.823 -0.465 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.181 0.551 -0.974 1.00 0.00 H new ATOM 1206 N THR A 81 -2.195 2.795 -5.319 1.00 0.00 N ATOM 1207 CA THR A 81 -1.047 3.596 -5.726 1.00 0.00 C ATOM 1208 C THR A 81 -0.376 4.230 -4.512 1.00 0.00 C ATOM 1209 O THR A 81 -0.970 5.062 -3.825 1.00 0.00 O ATOM 1210 CB THR A 81 -1.479 4.685 -6.710 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.381 4.162 -7.670 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.321 5.309 -7.460 1.00 0.00 C ATOM 0 H THR A 81 -3.097 3.255 -5.447 1.00 0.00 H new ATOM 0 HA THR A 81 -0.330 2.938 -6.218 1.00 0.00 H new ATOM 0 HB THR A 81 -1.952 5.455 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.648 4.873 -8.290 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.697 6.073 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.369 5.764 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.200 4.540 -8.030 1.00 0.00 H new ATOM 1220 N VAL A 82 0.865 3.828 -4.250 1.00 0.00 N ATOM 1221 CA VAL A 82 1.612 4.355 -3.113 1.00 0.00 C ATOM 1222 C VAL A 82 2.829 5.151 -3.568 1.00 0.00 C ATOM 1223 O VAL A 82 3.184 5.145 -4.747 1.00 0.00 O ATOM 1224 CB VAL A 82 2.077 3.225 -2.176 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.885 2.587 -1.477 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.872 2.183 -2.949 1.00 0.00 C ATOM 0 H VAL A 82 1.373 3.141 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 82 0.934 5.015 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 82 2.729 3.654 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.233 1.791 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.362 3.341 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.206 2.172 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.192 1.392 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.247 1.757 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.747 2.652 -3.398 1.00 0.00 H new ATOM 1236 N GLN A 83 3.465 5.835 -2.623 1.00 0.00 N ATOM 1237 CA GLN A 83 4.646 6.638 -2.917 1.00 0.00 C ATOM 1238 C GLN A 83 5.758 6.345 -1.917 1.00 0.00 C ATOM 1239 O GLN A 83 5.504 6.165 -0.726 1.00 0.00 O ATOM 1240 CB GLN A 83 4.297 8.126 -2.887 1.00 0.00 C ATOM 1241 CG GLN A 83 3.640 8.625 -4.164 1.00 0.00 C ATOM 1242 CD GLN A 83 3.978 10.072 -4.467 1.00 0.00 C ATOM 1243 OE1 GLN A 83 2.954 10.915 -4.552 1.00 0.00 O flip ATOM 1244 NE2 GLN A 83 5.146 10.430 -4.623 1.00 0.00 N flip ATOM 0 H GLN A 83 3.181 5.849 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 83 4.997 6.376 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.629 8.317 -2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.206 8.700 -2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.956 8.000 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.559 8.519 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.902 9.749 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.357 11.407 -4.826 1.00 0.00 H new ATOM 1253 N GLY A 84 6.993 6.299 -2.406 1.00 0.00 N ATOM 1254 CA GLY A 84 8.124 6.026 -1.540 1.00 0.00 C ATOM 1255 C GLY A 84 9.068 7.207 -1.426 1.00 0.00 C ATOM 1256 O GLY A 84 10.140 7.212 -2.029 1.00 0.00 O ATOM 0 H GLY A 84 7.230 6.446 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.761 5.758 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.671 5.164 -1.923 1.00 0.00 H new