USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 14 CYS SG : rot -76:sc= -6.12! USER MOD Single : A 22 ASN : amide:sc= 0.724 K(o=0.72,f=-4.2!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 25 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.18) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= -0.0434 (180deg=-0.529) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= -0.0966 (180deg=-0.546) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc=-0.00248 X(o=-0.0025,f=-0.14) USER MOD Single : A 50 TYR OH : rot -23:sc= 0.0983 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 63 HIS : no HD1:sc= -2.85! K(o=-2.9!,f=-0.94) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.11) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.448 -5.127 -0.760 1.00 0.00 N ATOM 56 CA GLY A 7 9.144 -5.566 -1.227 1.00 0.00 C ATOM 57 C GLY A 7 9.182 -7.033 -1.661 1.00 0.00 C ATOM 58 O GLY A 7 8.682 -7.382 -2.730 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.407 -5.437 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.825 -4.944 -2.063 1.00 0.00 H new ATOM 62 N GLY A 8 9.781 -7.852 -0.810 1.00 0.00 N ATOM 63 CA GLY A 8 9.891 -9.274 -1.092 1.00 0.00 C ATOM 64 C GLY A 8 8.599 -9.812 -1.708 1.00 0.00 C ATOM 65 O GLY A 8 8.536 -10.055 -2.913 1.00 0.00 O ATOM 0 H GLY A 8 10.195 -7.559 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.724 -9.450 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.112 -9.815 -0.172 1.00 0.00 H new ATOM 69 N GLU A 9 7.599 -9.984 -0.855 1.00 0.00 N ATOM 70 CA GLU A 9 6.313 -10.489 -1.301 1.00 0.00 C ATOM 71 C GLU A 9 5.177 -9.687 -0.664 1.00 0.00 C ATOM 72 O GLU A 9 5.159 -9.487 0.550 1.00 0.00 O ATOM 73 CB GLU A 9 6.172 -11.981 -0.991 1.00 0.00 C ATOM 74 CG GLU A 9 5.759 -12.201 0.465 1.00 0.00 C ATOM 75 CD GLU A 9 6.275 -13.544 0.984 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.513 -13.672 1.095 1.00 0.00 O ATOM 77 OE2 GLU A 9 5.419 -14.414 1.257 1.00 0.00 O ATOM 0 H GLU A 9 7.655 -9.782 0.143 1.00 0.00 H new ATOM 0 HA GLU A 9 6.253 -10.369 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.430 -12.425 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.117 -12.487 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.150 -11.393 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.673 -12.168 0.548 1.00 0.00 H new ATOM 82 N ILE A 10 4.257 -9.247 -1.510 1.00 0.00 N ATOM 83 CA ILE A 10 3.121 -8.471 -1.044 1.00 0.00 C ATOM 84 C ILE A 10 2.195 -9.372 -0.223 1.00 0.00 C ATOM 85 O ILE A 10 1.529 -10.247 -0.771 1.00 0.00 O ATOM 86 CB ILE A 10 2.424 -7.783 -2.219 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.235 -6.581 -2.710 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.990 -7.395 -1.856 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.140 -5.415 -1.723 1.00 0.00 C ATOM 0 H ILE A 10 4.276 -9.413 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 10 3.453 -7.669 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 10 2.366 -8.493 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.278 -6.870 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.869 -6.266 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.518 -6.908 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.427 -8.290 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.002 -6.710 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.725 -4.574 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.098 -5.113 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.529 -5.726 -0.754 1.00 0.00 H new ATOM 100 N ILE A 11 2.186 -9.125 1.080 1.00 0.00 N ATOM 101 CA ILE A 11 1.354 -9.903 1.981 1.00 0.00 C ATOM 102 C ILE A 11 0.195 -9.035 2.474 1.00 0.00 C ATOM 103 O ILE A 11 0.190 -7.823 2.265 1.00 0.00 O ATOM 104 CB ILE A 11 2.199 -10.500 3.109 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.634 -9.418 4.100 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.392 -11.277 2.549 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.515 -9.106 5.097 1.00 0.00 C ATOM 0 H ILE A 11 2.741 -8.398 1.532 1.00 0.00 H new ATOM 0 HA ILE A 11 0.916 -10.753 1.458 1.00 0.00 H new ATOM 0 HB ILE A 11 1.581 -11.211 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.523 -9.748 4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.907 -8.512 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.975 -11.691 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.033 -12.088 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.019 -10.607 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.850 -8.334 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.636 -8.753 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.262 -10.008 5.654 1.00 0.00 H new ATOM 118 N GLU A 12 -0.761 -9.690 3.119 1.00 0.00 N ATOM 119 CA GLU A 12 -1.922 -8.993 3.643 1.00 0.00 C ATOM 120 C GLU A 12 -1.542 -8.189 4.888 1.00 0.00 C ATOM 121 O GLU A 12 -0.974 -8.733 5.834 1.00 0.00 O ATOM 122 CB GLU A 12 -3.057 -9.972 3.949 1.00 0.00 C ATOM 123 CG GLU A 12 -3.487 -10.725 2.687 1.00 0.00 C ATOM 124 CD GLU A 12 -4.425 -11.884 3.032 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.389 -11.628 3.786 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.156 -12.997 2.535 1.00 0.00 O ATOM 0 H GLU A 12 -0.754 -10.696 3.290 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.279 -8.300 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.734 -10.683 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.908 -9.430 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.987 -10.039 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.607 -11.107 2.169 1.00 0.00 H new ATOM 131 N GLY A 13 -1.872 -6.906 4.849 1.00 0.00 N ATOM 132 CA GLY A 13 -1.572 -6.022 5.962 1.00 0.00 C ATOM 133 C GLY A 13 -0.591 -4.925 5.542 1.00 0.00 C ATOM 134 O GLY A 13 -0.600 -3.832 6.106 1.00 0.00 O ATOM 0 H GLY A 13 -2.344 -6.458 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.493 -5.570 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.148 -6.598 6.785 1.00 0.00 H new ATOM 138 N CYS A 14 0.230 -5.255 4.556 1.00 0.00 N ATOM 139 CA CYS A 14 1.214 -4.312 4.055 1.00 0.00 C ATOM 140 C CYS A 14 0.495 -3.007 3.706 1.00 0.00 C ATOM 141 O CYS A 14 -0.596 -3.028 3.139 1.00 0.00 O ATOM 142 CB CYS A 14 1.982 -4.878 2.859 1.00 0.00 C ATOM 143 SG CYS A 14 3.344 -5.953 3.441 1.00 0.00 S ATOM 0 H CYS A 14 0.234 -6.163 4.091 1.00 0.00 H new ATOM 0 HA CYS A 14 1.961 -4.119 4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.307 -5.447 2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.383 -4.064 2.256 1.00 0.00 H new ATOM 0 HG CYS A 14 4.322 -5.216 3.877 1.00 0.00 H new ATOM 148 N ARG A 15 1.136 -1.903 4.061 1.00 0.00 N ATOM 149 CA ARG A 15 0.571 -0.592 3.792 1.00 0.00 C ATOM 150 C ARG A 15 1.417 0.148 2.754 1.00 0.00 C ATOM 151 O ARG A 15 2.609 0.368 2.962 1.00 0.00 O ATOM 152 CB ARG A 15 0.495 0.248 5.069 1.00 0.00 C ATOM 153 CG ARG A 15 -0.834 0.024 5.794 1.00 0.00 C ATOM 154 CD ARG A 15 -1.034 1.058 6.903 1.00 0.00 C ATOM 155 NE ARG A 15 -0.764 0.444 8.223 1.00 0.00 N ATOM 156 CZ ARG A 15 0.455 0.346 8.771 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.523 0.822 8.117 1.00 0.00 N ATOM 158 NH2 ARG A 15 0.606 -0.226 9.973 1.00 0.00 N ATOM 0 H ARG A 15 2.041 -1.890 4.532 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.438 -0.739 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.322 -0.012 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.605 1.304 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.656 0.086 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.856 -0.979 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.368 1.907 6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.053 1.443 6.873 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.555 0.072 8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.408 1.259 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.451 0.748 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.207 -0.587 10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.534 -0.300 10.389 1.00 0.00 H new ATOM 169 N LEU A 16 0.766 0.512 1.658 1.00 0.00 N ATOM 170 CA LEU A 16 1.444 1.222 0.587 1.00 0.00 C ATOM 171 C LEU A 16 0.451 2.157 -0.107 1.00 0.00 C ATOM 172 O LEU A 16 -0.752 1.902 -0.105 1.00 0.00 O ATOM 173 CB LEU A 16 2.126 0.236 -0.363 1.00 0.00 C ATOM 174 CG LEU A 16 1.568 -1.189 -0.364 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.040 -1.180 -0.291 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.079 -1.978 -1.571 1.00 0.00 C ATOM 0 H LEU A 16 -0.223 0.328 1.489 1.00 0.00 H new ATOM 0 HA LEU A 16 2.243 1.845 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.058 0.632 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.185 0.190 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 16 1.930 -1.697 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.330 -2.205 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.278 -0.681 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.362 -0.647 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.667 -2.987 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.767 -1.481 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.167 -2.029 -1.538 1.00 0.00 H new ATOM 187 N PRO A 17 1.006 3.249 -0.699 1.00 0.00 N ATOM 188 CA PRO A 17 0.183 4.222 -1.396 1.00 0.00 C ATOM 189 C PRO A 17 -0.281 3.680 -2.749 1.00 0.00 C ATOM 190 O PRO A 17 0.512 3.575 -3.684 1.00 0.00 O ATOM 191 CB PRO A 17 1.057 5.460 -1.519 1.00 0.00 C ATOM 192 CG PRO A 17 2.485 4.983 -1.306 1.00 0.00 C ATOM 193 CD PRO A 17 2.428 3.582 -0.722 1.00 0.00 C ATOM 0 HA PRO A 17 -0.739 4.453 -0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.942 5.924 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.780 6.209 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.031 4.981 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.015 5.656 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.991 2.875 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.858 3.552 0.279 1.00 0.00 H new ATOM 198 N VAL A 18 -1.563 3.352 -2.810 1.00 0.00 N ATOM 199 CA VAL A 18 -2.142 2.824 -4.035 1.00 0.00 C ATOM 200 C VAL A 18 -2.693 3.979 -4.873 1.00 0.00 C ATOM 201 O VAL A 18 -3.618 4.671 -4.450 1.00 0.00 O ATOM 202 CB VAL A 18 -3.199 1.769 -3.700 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.014 1.398 -4.941 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.558 0.529 -3.074 1.00 0.00 C ATOM 0 H VAL A 18 -2.217 3.441 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.381 2.324 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.881 2.199 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.758 0.647 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.516 2.286 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.349 0.997 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.331 -0.204 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.843 0.097 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.042 0.810 -2.156 1.00 0.00 H new ATOM 214 N LEU A 19 -2.102 4.151 -6.046 1.00 0.00 N ATOM 215 CA LEU A 19 -2.522 5.210 -6.947 1.00 0.00 C ATOM 216 C LEU A 19 -4.051 5.273 -6.977 1.00 0.00 C ATOM 217 O LEU A 19 -4.721 4.268 -6.741 1.00 0.00 O ATOM 218 CB LEU A 19 -1.887 5.023 -8.327 1.00 0.00 C ATOM 219 CG LEU A 19 -2.256 6.068 -9.382 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.478 7.367 -9.162 1.00 0.00 C ATOM 221 CD2 LEU A 19 -2.058 5.515 -10.794 1.00 0.00 C ATOM 0 H LEU A 19 -1.336 3.575 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.170 6.177 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.803 5.021 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.168 4.040 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.315 6.304 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.759 8.093 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.712 7.768 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.409 7.166 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.327 6.278 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.014 5.234 -10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.691 4.639 -10.934 1.00 0.00 H new ATOM 232 N ARG A 20 -4.557 6.461 -7.269 1.00 0.00 N ATOM 233 CA ARG A 20 -5.994 6.667 -7.332 1.00 0.00 C ATOM 234 C ARG A 20 -6.309 7.997 -8.019 1.00 0.00 C ATOM 235 O ARG A 20 -6.202 9.058 -7.406 1.00 0.00 O ATOM 236 CB ARG A 20 -6.613 6.665 -5.933 1.00 0.00 C ATOM 237 CG ARG A 20 -8.139 6.745 -6.009 1.00 0.00 C ATOM 238 CD ARG A 20 -8.698 7.619 -4.885 1.00 0.00 C ATOM 239 NE ARG A 20 -9.894 8.350 -5.360 1.00 0.00 N ATOM 240 CZ ARG A 20 -11.090 7.780 -5.568 1.00 0.00 C ATOM 241 NH1 ARG A 20 -11.255 6.470 -5.344 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.120 8.521 -5.999 1.00 0.00 N ATOM 0 H ARG A 20 -3.998 7.291 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.422 5.846 -7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.319 5.759 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.229 7.509 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.438 7.153 -6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.563 5.743 -5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.957 7.000 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.939 8.326 -4.551 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.803 9.350 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.471 5.906 -5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.165 6.036 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.994 9.519 -6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.029 8.087 -6.157 1.00 0.00 H new ATOM 253 N ARG A 21 -6.694 7.897 -9.284 1.00 0.00 N ATOM 254 CA ARG A 21 -7.025 9.079 -10.061 1.00 0.00 C ATOM 255 C ARG A 21 -8.498 9.447 -9.866 1.00 0.00 C ATOM 256 O ARG A 21 -9.383 8.785 -10.405 1.00 0.00 O ATOM 257 CB ARG A 21 -6.756 8.853 -11.550 1.00 0.00 C ATOM 258 CG ARG A 21 -5.277 9.067 -11.878 1.00 0.00 C ATOM 259 CD ARG A 21 -5.082 9.357 -13.367 1.00 0.00 C ATOM 260 NE ARG A 21 -3.729 8.934 -13.793 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.387 7.666 -14.057 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.296 6.688 -13.942 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.135 7.375 -14.437 1.00 0.00 N ATOM 0 H ARG A 21 -6.784 7.015 -9.789 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.393 9.895 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.051 7.841 -11.827 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.366 9.536 -12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.886 9.896 -11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.707 8.181 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.837 8.830 -13.950 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.216 10.421 -13.559 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.012 9.653 -13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.249 6.909 -13.653 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.035 5.723 -14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.443 8.119 -14.525 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.874 6.410 -14.638 1.00 0.00 H new ATOM 274 N ASN A 22 -8.715 10.501 -9.093 1.00 0.00 N ATOM 275 CA ASN A 22 -10.064 10.964 -8.820 1.00 0.00 C ATOM 276 C ASN A 22 -10.681 11.514 -10.108 1.00 0.00 C ATOM 277 O ASN A 22 -10.029 11.535 -11.152 1.00 0.00 O ATOM 278 CB ASN A 22 -10.062 12.085 -7.779 1.00 0.00 C ATOM 279 CG ASN A 22 -9.231 11.697 -6.556 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.704 11.062 -5.627 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.969 12.113 -6.605 1.00 0.00 N ATOM 0 H ASN A 22 -7.978 11.048 -8.647 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.639 10.120 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.660 12.996 -8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.085 12.304 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.333 11.905 -5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.637 12.640 -7.412 1.00 0.00 H new ATOM 287 N GLN A 23 -11.928 11.946 -9.992 1.00 0.00 N ATOM 288 CA GLN A 23 -12.639 12.494 -11.134 1.00 0.00 C ATOM 289 C GLN A 23 -11.780 13.547 -11.837 1.00 0.00 C ATOM 290 O GLN A 23 -11.572 13.476 -13.048 1.00 0.00 O ATOM 291 CB GLN A 23 -13.987 13.080 -10.711 1.00 0.00 C ATOM 292 CG GLN A 23 -15.124 12.515 -11.566 1.00 0.00 C ATOM 293 CD GLN A 23 -16.438 13.243 -11.282 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.479 14.275 -10.632 1.00 0.00 O ATOM 295 NE2 GLN A 23 -17.509 12.649 -11.802 1.00 0.00 N ATOM 0 H GLN A 23 -12.464 11.928 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.837 11.685 -11.837 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.171 12.856 -9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.961 14.166 -10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.872 12.611 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.243 11.451 -11.362 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.405 11.786 -12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.434 13.056 -11.667 1.00 0.00 H new ATOM 302 N ASP A 24 -11.305 14.500 -11.050 1.00 0.00 N ATOM 303 CA ASP A 24 -10.473 15.566 -11.582 1.00 0.00 C ATOM 304 C ASP A 24 -9.321 14.958 -12.383 1.00 0.00 C ATOM 305 O ASP A 24 -8.752 15.613 -13.254 1.00 0.00 O ATOM 306 CB ASP A 24 -9.872 16.410 -10.455 1.00 0.00 C ATOM 307 CG ASP A 24 -10.808 17.469 -9.870 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.693 17.924 -10.626 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.616 17.801 -8.680 1.00 0.00 O ATOM 0 H ASP A 24 -11.480 14.557 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.098 16.198 -12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.555 15.744 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.977 16.906 -10.831 1.00 0.00 H new ATOM 313 N ASN A 25 -9.013 13.710 -12.060 1.00 0.00 N ATOM 314 CA ASN A 25 -7.938 13.006 -12.740 1.00 0.00 C ATOM 315 C ASN A 25 -6.597 13.418 -12.128 1.00 0.00 C ATOM 316 O ASN A 25 -5.660 13.756 -12.851 1.00 0.00 O ATOM 317 CB ASN A 25 -7.907 13.354 -14.228 1.00 0.00 C ATOM 318 CG ASN A 25 -7.224 12.248 -15.036 1.00 0.00 C ATOM 319 OD1 ASN A 25 -7.580 11.083 -14.967 1.00 0.00 O ATOM 320 ND2 ASN A 25 -6.225 12.676 -15.802 1.00 0.00 N ATOM 0 H ASN A 25 -9.488 13.169 -11.338 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.109 11.936 -12.624 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.924 13.500 -14.592 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.378 14.296 -14.374 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.705 12.015 -16.379 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.979 13.666 -15.813 1.00 0.00 H new ATOM 326 N GLU A 26 -6.547 13.377 -10.805 1.00 0.00 N ATOM 327 CA GLU A 26 -5.337 13.742 -10.090 1.00 0.00 C ATOM 328 C GLU A 26 -4.672 12.496 -9.502 1.00 0.00 C ATOM 329 O GLU A 26 -5.172 11.917 -8.539 1.00 0.00 O ATOM 330 CB GLU A 26 -5.635 14.772 -8.998 1.00 0.00 C ATOM 331 CG GLU A 26 -6.177 16.070 -9.601 1.00 0.00 C ATOM 332 CD GLU A 26 -6.118 17.213 -8.587 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.996 17.721 -8.369 1.00 0.00 O ATOM 334 OE2 GLU A 26 -7.194 17.552 -8.050 1.00 0.00 O ATOM 0 H GLU A 26 -7.326 13.096 -10.209 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.645 14.200 -10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.361 14.363 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.727 14.981 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.597 16.334 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.206 15.921 -9.927 1.00 0.00 H new ATOM 339 N ASP A 27 -3.553 12.122 -10.105 1.00 0.00 N ATOM 340 CA ASP A 27 -2.815 10.955 -9.653 1.00 0.00 C ATOM 341 C ASP A 27 -2.524 11.089 -8.157 1.00 0.00 C ATOM 342 O ASP A 27 -1.522 11.684 -7.766 1.00 0.00 O ATOM 343 CB ASP A 27 -1.476 10.832 -10.384 1.00 0.00 C ATOM 344 CG ASP A 27 -0.468 11.941 -10.077 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.668 13.054 -10.609 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.482 11.650 -9.317 1.00 0.00 O ATOM 0 H ASP A 27 -3.140 12.606 -10.902 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.421 10.073 -9.859 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.027 9.872 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.665 10.820 -11.457 1.00 0.00 H new ATOM 350 N GLU A 28 -3.419 10.524 -7.360 1.00 0.00 N ATOM 351 CA GLU A 28 -3.272 10.572 -5.915 1.00 0.00 C ATOM 352 C GLU A 28 -2.527 9.332 -5.416 1.00 0.00 C ATOM 353 O GLU A 28 -2.417 8.339 -6.132 1.00 0.00 O ATOM 354 CB GLU A 28 -4.633 10.707 -5.230 1.00 0.00 C ATOM 355 CG GLU A 28 -4.470 11.109 -3.762 1.00 0.00 C ATOM 356 CD GLU A 28 -5.594 12.051 -3.324 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.745 11.790 -3.733 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.275 13.009 -2.588 1.00 0.00 O ATOM 0 H GLU A 28 -4.249 10.030 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.684 11.453 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.234 11.453 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.172 9.762 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.472 10.218 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.506 11.597 -3.620 1.00 0.00 H new ATOM 363 N TRP A 29 -2.034 9.432 -4.190 1.00 0.00 N ATOM 364 CA TRP A 29 -1.303 8.332 -3.586 1.00 0.00 C ATOM 365 C TRP A 29 -1.769 8.194 -2.135 1.00 0.00 C ATOM 366 O TRP A 29 -0.989 8.405 -1.207 1.00 0.00 O ATOM 367 CB TRP A 29 0.207 8.542 -3.712 1.00 0.00 C ATOM 368 CG TRP A 29 0.726 8.480 -5.151 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.905 9.495 -6.006 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.128 7.294 -5.869 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.392 9.053 -7.221 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.531 7.673 -7.134 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.150 5.948 -5.464 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.986 6.762 -8.097 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.606 5.052 -6.438 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.016 5.416 -7.715 1.00 0.00 C ATOM 0 H TRP A 29 -2.127 10.258 -3.599 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.511 7.398 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.466 9.511 -3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.720 7.785 -3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.695 10.529 -5.775 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.609 9.632 -8.032 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.840 5.630 -4.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.297 7.081 -9.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.642 4.004 -6.179 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.357 4.663 -8.410 1.00 0.00 H new ATOM 386 N PRO A 30 -3.069 7.832 -1.980 1.00 0.00 N ATOM 387 CA PRO A 30 -3.648 7.664 -0.659 1.00 0.00 C ATOM 388 C PRO A 30 -3.173 6.360 -0.014 1.00 0.00 C ATOM 389 O PRO A 30 -2.916 5.378 -0.707 1.00 0.00 O ATOM 390 CB PRO A 30 -5.152 7.704 -0.878 1.00 0.00 C ATOM 391 CG PRO A 30 -5.364 7.426 -2.358 1.00 0.00 C ATOM 392 CD PRO A 30 -4.022 7.574 -3.057 1.00 0.00 C ATOM 0 HA PRO A 30 -3.340 8.445 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.656 6.958 -0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.562 8.675 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.762 6.422 -2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.091 8.122 -2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.761 6.671 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.038 8.393 -3.776 1.00 0.00 H new ATOM 397 N LEU A 31 -3.071 6.393 1.307 1.00 0.00 N ATOM 398 CA LEU A 31 -2.631 5.226 2.053 1.00 0.00 C ATOM 399 C LEU A 31 -3.592 4.066 1.790 1.00 0.00 C ATOM 400 O LEU A 31 -4.808 4.223 1.903 1.00 0.00 O ATOM 401 CB LEU A 31 -2.471 5.567 3.536 1.00 0.00 C ATOM 402 CG LEU A 31 -1.404 4.776 4.295 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.838 3.322 4.493 1.00 0.00 C ATOM 404 CD2 LEU A 31 -0.045 4.880 3.599 1.00 0.00 C ATOM 0 H LEU A 31 -3.285 7.209 1.880 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.645 4.907 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.237 6.628 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.430 5.411 4.030 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.292 5.216 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.062 2.781 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.766 3.294 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.995 2.854 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.695 4.309 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.123 4.480 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.262 5.925 3.554 1.00 0.00 H new ATOM 415 N ALA A 32 -3.013 2.926 1.442 1.00 0.00 N ATOM 416 CA ALA A 32 -3.804 1.739 1.163 1.00 0.00 C ATOM 417 C ALA A 32 -3.152 0.528 1.832 1.00 0.00 C ATOM 418 O ALA A 32 -1.936 0.361 1.774 1.00 0.00 O ATOM 419 CB ALA A 32 -3.942 1.564 -0.351 1.00 0.00 C ATOM 0 H ALA A 32 -2.005 2.799 1.347 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.808 1.841 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.535 0.674 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.436 2.438 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.953 1.455 -0.796 1.00 0.00 H new ATOM 425 N GLU A 33 -3.993 -0.287 2.454 1.00 0.00 N ATOM 426 CA GLU A 33 -3.513 -1.478 3.135 1.00 0.00 C ATOM 427 C GLU A 33 -3.945 -2.733 2.374 1.00 0.00 C ATOM 428 O GLU A 33 -5.100 -2.851 1.968 1.00 0.00 O ATOM 429 CB GLU A 33 -4.006 -1.517 4.582 1.00 0.00 C ATOM 430 CG GLU A 33 -3.292 -2.614 5.375 1.00 0.00 C ATOM 431 CD GLU A 33 -4.138 -3.069 6.566 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.080 -2.373 7.603 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.822 -4.104 6.413 1.00 0.00 O ATOM 0 H GLU A 33 -5.002 -0.146 2.500 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.424 -1.447 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.833 -0.550 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.082 -1.692 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.088 -3.464 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.329 -2.244 5.728 1.00 0.00 H new ATOM 438 N ILE A 34 -2.994 -3.640 2.205 1.00 0.00 N ATOM 439 CA ILE A 34 -3.262 -4.883 1.500 1.00 0.00 C ATOM 440 C ILE A 34 -4.268 -5.712 2.301 1.00 0.00 C ATOM 441 O ILE A 34 -4.146 -5.834 3.519 1.00 0.00 O ATOM 442 CB ILE A 34 -1.956 -5.621 1.201 1.00 0.00 C ATOM 443 CG1 ILE A 34 -0.958 -4.705 0.490 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.220 -6.904 0.412 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.171 -4.733 -1.024 1.00 0.00 C ATOM 0 H ILE A 34 -2.037 -3.539 2.544 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.716 -4.681 0.530 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.504 -5.913 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.069 -3.685 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.059 -5.019 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.275 -7.409 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.868 -7.561 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.706 -6.657 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.449 -4.073 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.035 -5.750 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.181 -4.395 -1.256 1.00 0.00 H new ATOM 456 N LEU A 35 -5.238 -6.260 1.584 1.00 0.00 N ATOM 457 CA LEU A 35 -6.264 -7.075 2.214 1.00 0.00 C ATOM 458 C LEU A 35 -6.153 -8.512 1.703 1.00 0.00 C ATOM 459 O LEU A 35 -6.125 -9.455 2.493 1.00 0.00 O ATOM 460 CB LEU A 35 -7.646 -6.452 2.002 1.00 0.00 C ATOM 461 CG LEU A 35 -7.780 -4.975 2.376 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.204 -4.473 2.124 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.334 -4.731 3.819 1.00 0.00 C ATOM 0 H LEU A 35 -5.336 -6.156 0.574 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.116 -7.108 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.917 -6.567 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.372 -7.021 2.583 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.116 -4.398 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.272 -3.420 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.450 -4.590 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.905 -5.051 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.440 -3.673 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.953 -5.320 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.291 -5.026 3.932 1.00 0.00 H new ATOM 474 N SER A 36 -6.091 -8.635 0.385 1.00 0.00 N ATOM 475 CA SER A 36 -5.983 -9.942 -0.240 1.00 0.00 C ATOM 476 C SER A 36 -5.286 -9.817 -1.597 1.00 0.00 C ATOM 477 O SER A 36 -5.418 -8.800 -2.276 1.00 0.00 O ATOM 478 CB SER A 36 -7.360 -10.588 -0.409 1.00 0.00 C ATOM 479 OG SER A 36 -7.309 -12.003 -0.250 1.00 0.00 O ATOM 0 H SER A 36 -6.114 -7.851 -0.267 1.00 0.00 H new ATOM 0 HA SER A 36 -5.388 -10.583 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.051 -10.166 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.754 -10.348 -1.396 1.00 0.00 H new ATOM 0 HG SER A 36 -8.207 -12.378 -0.363 1.00 0.00 H new ATOM 484 N VAL A 37 -4.558 -10.866 -1.951 1.00 0.00 N ATOM 485 CA VAL A 37 -3.839 -10.887 -3.213 1.00 0.00 C ATOM 486 C VAL A 37 -4.497 -11.899 -4.153 1.00 0.00 C ATOM 487 O VAL A 37 -5.326 -12.700 -3.726 1.00 0.00 O ATOM 488 CB VAL A 37 -2.357 -11.174 -2.968 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.587 -11.253 -4.287 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.742 -10.128 -2.035 1.00 0.00 C ATOM 0 H VAL A 37 -4.451 -11.708 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.890 -9.912 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.281 -12.145 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.536 -11.458 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.000 -12.053 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.675 -10.305 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.688 -10.356 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.836 -9.139 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.263 -10.143 -1.078 1.00 0.00 H new ATOM 500 N LYS A 38 -4.101 -11.830 -5.416 1.00 0.00 N ATOM 501 CA LYS A 38 -4.643 -12.731 -6.419 1.00 0.00 C ATOM 502 C LYS A 38 -3.684 -12.794 -7.610 1.00 0.00 C ATOM 503 O LYS A 38 -2.633 -12.156 -7.602 1.00 0.00 O ATOM 504 CB LYS A 38 -6.066 -12.318 -6.797 1.00 0.00 C ATOM 505 CG LYS A 38 -6.881 -13.526 -7.267 1.00 0.00 C ATOM 506 CD LYS A 38 -7.275 -13.383 -8.738 1.00 0.00 C ATOM 507 CE LYS A 38 -8.797 -13.369 -8.899 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.384 -14.625 -8.380 1.00 0.00 N ATOM 0 H LYS A 38 -3.412 -11.165 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.725 -13.742 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.555 -11.857 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.033 -11.567 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.299 -14.437 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.777 -13.625 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.854 -12.463 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.852 -14.207 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.217 -12.516 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.056 -13.247 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.261 -14.838 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.708 -15.404 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.596 -14.517 -7.368 1.00 0.00 H new ATOM 518 N ASP A 39 -4.081 -13.572 -8.607 1.00 0.00 N ATOM 519 CA ASP A 39 -3.270 -13.728 -9.803 1.00 0.00 C ATOM 520 C ASP A 39 -4.142 -14.269 -10.938 1.00 0.00 C ATOM 521 O ASP A 39 -4.783 -15.309 -10.792 1.00 0.00 O ATOM 522 CB ASP A 39 -2.130 -14.721 -9.569 1.00 0.00 C ATOM 523 CG ASP A 39 -1.574 -15.376 -10.834 1.00 0.00 C ATOM 524 OD1 ASP A 39 -1.554 -14.681 -11.873 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.181 -16.558 -10.735 1.00 0.00 O ATOM 0 H ASP A 39 -4.953 -14.101 -8.611 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.853 -12.753 -10.058 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.317 -14.204 -9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.482 -15.504 -8.897 1.00 0.00 H new ATOM 529 N ILE A 40 -4.138 -13.539 -12.044 1.00 0.00 N ATOM 530 CA ILE A 40 -4.921 -13.931 -13.203 1.00 0.00 C ATOM 531 C ILE A 40 -4.024 -13.932 -14.442 1.00 0.00 C ATOM 532 O ILE A 40 -4.143 -13.057 -15.298 1.00 0.00 O ATOM 533 CB ILE A 40 -6.160 -13.044 -13.339 1.00 0.00 C ATOM 534 CG1 ILE A 40 -7.035 -13.128 -12.088 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.941 -13.385 -14.610 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.734 -11.795 -11.817 1.00 0.00 C ATOM 0 H ILE A 40 -3.604 -12.678 -12.162 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.298 -14.946 -13.082 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.831 -12.009 -13.431 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.780 -13.914 -12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.422 -13.403 -11.229 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.817 -12.740 -14.683 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.304 -13.231 -15.481 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.259 -14.427 -14.573 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.350 -11.882 -10.922 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.986 -11.016 -11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.365 -11.535 -12.667 1.00 0.00 H new ATOM 547 N SER A 41 -3.146 -14.922 -14.499 1.00 0.00 N ATOM 548 CA SER A 41 -2.230 -15.047 -15.619 1.00 0.00 C ATOM 549 C SER A 41 -1.135 -13.983 -15.521 1.00 0.00 C ATOM 550 O SER A 41 -0.900 -13.240 -16.473 1.00 0.00 O ATOM 551 CB SER A 41 -2.970 -14.927 -16.953 1.00 0.00 C ATOM 552 OG SER A 41 -2.594 -15.953 -17.866 1.00 0.00 O ATOM 0 H SER A 41 -3.050 -15.646 -13.787 1.00 0.00 H new ATOM 0 HA SER A 41 -1.772 -16.035 -15.577 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.045 -14.974 -16.777 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.762 -13.953 -17.396 1.00 0.00 H new ATOM 0 HG SER A 41 -3.089 -15.843 -18.704 1.00 0.00 H new ATOM 557 N GLY A 42 -0.496 -13.942 -14.361 1.00 0.00 N ATOM 558 CA GLY A 42 0.568 -12.980 -14.127 1.00 0.00 C ATOM 559 C GLY A 42 0.009 -11.670 -13.568 1.00 0.00 C ATOM 560 O GLY A 42 0.723 -10.920 -12.904 1.00 0.00 O ATOM 0 H GLY A 42 -0.694 -14.559 -13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.293 -13.397 -13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.098 -12.785 -15.059 1.00 0.00 H new ATOM 564 N ARG A 43 -1.262 -11.435 -13.857 1.00 0.00 N ATOM 565 CA ARG A 43 -1.924 -10.229 -13.392 1.00 0.00 C ATOM 566 C ARG A 43 -2.333 -10.380 -11.925 1.00 0.00 C ATOM 567 O ARG A 43 -3.459 -10.774 -11.628 1.00 0.00 O ATOM 568 CB ARG A 43 -3.167 -9.924 -14.231 1.00 0.00 C ATOM 569 CG ARG A 43 -3.477 -8.426 -14.227 1.00 0.00 C ATOM 570 CD ARG A 43 -4.482 -8.077 -13.126 1.00 0.00 C ATOM 571 NE ARG A 43 -5.645 -7.370 -13.708 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.573 -6.180 -14.318 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.392 -5.557 -14.431 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.680 -5.614 -14.817 1.00 0.00 N ATOM 0 H ARG A 43 -1.851 -12.060 -14.408 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.219 -9.404 -13.494 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.011 -10.264 -15.255 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.020 -10.477 -13.838 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.557 -7.861 -14.077 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.878 -8.131 -15.197 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.813 -8.986 -12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.005 -7.451 -12.372 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.559 -7.818 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.549 -5.989 -14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.336 -4.651 -14.895 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.578 -6.089 -14.732 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.624 -4.708 -15.281 1.00 0.00 H new ATOM 585 N LYS A 44 -1.395 -10.057 -11.047 1.00 0.00 N ATOM 586 CA LYS A 44 -1.643 -10.152 -9.618 1.00 0.00 C ATOM 587 C LYS A 44 -2.579 -9.020 -9.191 1.00 0.00 C ATOM 588 O LYS A 44 -2.329 -7.854 -9.495 1.00 0.00 O ATOM 589 CB LYS A 44 -0.322 -10.183 -8.846 1.00 0.00 C ATOM 590 CG LYS A 44 0.060 -11.615 -8.470 1.00 0.00 C ATOM 591 CD LYS A 44 0.440 -11.711 -6.991 1.00 0.00 C ATOM 592 CE LYS A 44 1.836 -11.136 -6.745 1.00 0.00 C ATOM 593 NZ LYS A 44 2.093 -11.001 -5.294 1.00 0.00 N ATOM 0 H LYS A 44 -0.462 -9.729 -11.297 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.147 -11.089 -9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.468 -9.739 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.410 -9.578 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.774 -12.284 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.896 -11.946 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.291 -11.172 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.410 -12.753 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.587 -11.785 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.925 -10.163 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.069 -11.293 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.960 -10.010 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.431 -11.605 -4.766 1.00 0.00 H new ATOM 603 N LEU A 45 -3.638 -9.403 -8.494 1.00 0.00 N ATOM 604 CA LEU A 45 -4.613 -8.435 -8.022 1.00 0.00 C ATOM 605 C LEU A 45 -4.514 -8.318 -6.499 1.00 0.00 C ATOM 606 O LEU A 45 -4.296 -9.312 -5.809 1.00 0.00 O ATOM 607 CB LEU A 45 -6.013 -8.797 -8.520 1.00 0.00 C ATOM 608 CG LEU A 45 -6.574 -7.920 -9.641 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.446 -7.293 -10.463 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.552 -8.708 -10.517 1.00 0.00 C ATOM 0 H LEU A 45 -3.842 -10.371 -8.245 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.399 -7.449 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.998 -9.830 -8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.700 -8.755 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.135 -7.103 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.872 -6.675 -11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.823 -6.676 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.838 -8.081 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.936 -8.061 -11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.037 -9.558 -10.964 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.381 -9.066 -9.906 1.00 0.00 H new ATOM 621 N PHE A 46 -4.678 -7.094 -6.019 1.00 0.00 N ATOM 622 CA PHE A 46 -4.610 -6.834 -4.592 1.00 0.00 C ATOM 623 C PHE A 46 -5.741 -5.904 -4.149 1.00 0.00 C ATOM 624 O PHE A 46 -5.925 -4.828 -4.718 1.00 0.00 O ATOM 625 CB PHE A 46 -3.268 -6.148 -4.326 1.00 0.00 C ATOM 626 CG PHE A 46 -2.080 -6.814 -5.022 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.795 -6.514 -6.318 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.309 -7.706 -4.346 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.692 -7.133 -6.964 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.205 -8.325 -4.992 1.00 0.00 C ATOM 631 CZ PHE A 46 0.079 -8.025 -6.287 1.00 0.00 C ATOM 0 H PHE A 46 -4.858 -6.271 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.707 -7.768 -4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.331 -5.110 -4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.085 -6.134 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.407 -5.805 -6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.535 -7.945 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.466 -6.895 -7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.408 -9.033 -4.454 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.918 -8.496 -6.778 1.00 0.00 H new ATOM 640 N TYR A 47 -6.470 -6.351 -3.138 1.00 0.00 N ATOM 641 CA TYR A 47 -7.578 -5.573 -2.612 1.00 0.00 C ATOM 642 C TYR A 47 -7.100 -4.592 -1.539 1.00 0.00 C ATOM 643 O TYR A 47 -6.934 -4.967 -0.380 1.00 0.00 O ATOM 644 CB TYR A 47 -8.536 -6.581 -1.974 1.00 0.00 C ATOM 645 CG TYR A 47 -9.939 -6.027 -1.714 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.588 -5.306 -2.694 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.556 -6.252 -0.500 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.909 -4.786 -2.451 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.877 -5.732 -0.255 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.488 -5.024 -1.243 1.00 0.00 C ATOM 651 OH TYR A 47 -13.735 -4.532 -1.014 1.00 0.00 O ATOM 0 H TYR A 47 -6.315 -7.243 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.049 -4.992 -3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.615 -7.453 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.111 -6.924 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.106 -5.131 -3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.048 -6.818 0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.428 -4.220 -3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.371 -5.900 0.691 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.024 -4.780 -0.111 1.00 0.00 H new ATOM 660 N VAL A 48 -6.891 -3.354 -1.965 1.00 0.00 N ATOM 661 CA VAL A 48 -6.435 -2.317 -1.056 1.00 0.00 C ATOM 662 C VAL A 48 -7.637 -1.499 -0.578 1.00 0.00 C ATOM 663 O VAL A 48 -8.712 -1.567 -1.169 1.00 0.00 O ATOM 664 CB VAL A 48 -5.361 -1.463 -1.733 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.165 -2.318 -2.154 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.940 -0.702 -2.928 1.00 0.00 C ATOM 0 H VAL A 48 -7.029 -3.047 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.971 -2.759 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.008 -0.730 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.417 -1.686 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.730 -2.793 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.495 -3.085 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.157 -0.103 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.333 -1.412 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.744 -0.049 -2.589 1.00 0.00 H new ATOM 676 N HIS A 49 -7.413 -0.745 0.489 1.00 0.00 N ATOM 677 CA HIS A 49 -8.462 0.084 1.052 1.00 0.00 C ATOM 678 C HIS A 49 -7.896 1.461 1.406 1.00 0.00 C ATOM 679 O HIS A 49 -7.026 1.575 2.268 1.00 0.00 O ATOM 680 CB HIS A 49 -9.121 -0.609 2.247 1.00 0.00 C ATOM 681 CG HIS A 49 -9.958 0.308 3.104 1.00 0.00 C ATOM 682 ND1 HIS A 49 -10.886 1.190 2.577 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.000 0.471 4.459 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.453 1.849 3.577 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.902 1.402 4.742 1.00 0.00 N ATOM 0 H HIS A 49 -6.519 -0.692 0.978 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.248 0.232 0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.749 -1.421 1.882 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.345 -1.060 2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.401 -0.067 5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.217 2.607 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.144 1.730 5.677 1.00 0.00 H new ATOM 692 N TYR A 50 -8.411 2.471 0.721 1.00 0.00 N ATOM 693 CA TYR A 50 -7.968 3.835 0.952 1.00 0.00 C ATOM 694 C TYR A 50 -8.351 4.307 2.356 1.00 0.00 C ATOM 695 O TYR A 50 -9.265 5.117 2.514 1.00 0.00 O ATOM 696 CB TYR A 50 -8.698 4.697 -0.080 1.00 0.00 C ATOM 697 CG TYR A 50 -8.372 4.339 -1.531 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.059 4.163 -1.921 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.390 4.193 -2.452 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.752 3.826 -3.287 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.083 3.856 -3.818 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.779 3.690 -4.168 1.00 0.00 C ATOM 703 OH TYR A 50 -7.488 3.371 -5.458 1.00 0.00 O ATOM 0 H TYR A 50 -9.131 2.372 0.006 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.884 3.905 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.773 4.600 0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.445 5.743 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.262 4.278 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.417 4.332 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.729 3.684 -3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.870 3.738 -4.548 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.566 3.635 -5.660 1.00 0.00 H new ATOM 712 N ILE A 51 -7.636 3.782 3.338 1.00 0.00 N ATOM 713 CA ILE A 51 -7.890 4.139 4.724 1.00 0.00 C ATOM 714 C ILE A 51 -8.178 5.638 4.814 1.00 0.00 C ATOM 715 O ILE A 51 -7.277 6.458 4.646 1.00 0.00 O ATOM 716 CB ILE A 51 -6.737 3.678 5.616 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.400 3.776 4.878 1.00 0.00 C ATOM 718 CG2 ILE A 51 -6.991 2.271 6.160 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.887 2.388 4.489 1.00 0.00 C ATOM 0 H ILE A 51 -6.880 3.111 3.202 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.774 3.622 5.096 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.681 4.348 6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.518 4.388 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.666 4.275 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.155 1.969 6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.909 2.268 6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.090 1.572 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.936 2.485 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.747 1.787 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.612 1.902 3.836 1.00 0.00 H new ATOM 844 N GLU A 59 -11.329 -1.614 -3.116 1.00 0.00 N ATOM 845 CA GLU A 59 -11.315 -2.060 -4.499 1.00 0.00 C ATOM 846 C GLU A 59 -9.980 -2.732 -4.826 1.00 0.00 C ATOM 847 O GLU A 59 -8.975 -2.480 -4.163 1.00 0.00 O ATOM 848 CB GLU A 59 -11.592 -0.897 -5.453 1.00 0.00 C ATOM 849 CG GLU A 59 -10.504 0.173 -5.342 1.00 0.00 C ATOM 850 CD GLU A 59 -10.808 1.361 -6.258 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.871 1.985 -6.043 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.973 1.618 -7.151 1.00 0.00 O ATOM 0 HA GLU A 59 -12.111 -2.793 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.641 -1.266 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.563 -0.458 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.429 0.515 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.538 -0.257 -5.606 1.00 0.00 H new ATOM 857 N TRP A 60 -10.013 -3.574 -5.849 1.00 0.00 N ATOM 858 CA TRP A 60 -8.818 -4.284 -6.272 1.00 0.00 C ATOM 859 C TRP A 60 -7.922 -3.297 -7.023 1.00 0.00 C ATOM 860 O TRP A 60 -8.396 -2.272 -7.513 1.00 0.00 O ATOM 861 CB TRP A 60 -9.178 -5.516 -7.105 1.00 0.00 C ATOM 862 CG TRP A 60 -9.910 -6.606 -6.318 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.223 -6.699 -6.063 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.314 -7.762 -5.692 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.515 -7.824 -5.320 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.318 -8.492 -5.088 1.00 0.00 C ATOM 867 CE3 TRP A 60 -7.973 -8.176 -5.638 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.085 -9.680 -4.386 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -7.755 -9.367 -4.934 1.00 0.00 C ATOM 870 CH2 TRP A 60 -8.755 -10.113 -4.319 1.00 0.00 C ATOM 0 H TRP A 60 -10.848 -3.780 -6.397 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.271 -4.665 -5.410 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.802 -5.206 -7.943 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.265 -5.937 -7.526 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -11.959 -5.983 -6.397 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.439 -8.113 -5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.173 -7.620 -6.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -10.888 -10.233 -3.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.741 -9.731 -4.864 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.507 -11.022 -3.792 1.00 0.00 H new ATOM 880 N VAL A 61 -6.644 -3.639 -7.090 1.00 0.00 N ATOM 881 CA VAL A 61 -5.678 -2.796 -7.773 1.00 0.00 C ATOM 882 C VAL A 61 -4.579 -3.672 -8.378 1.00 0.00 C ATOM 883 O VAL A 61 -4.689 -4.897 -8.379 1.00 0.00 O ATOM 884 CB VAL A 61 -5.136 -1.737 -6.811 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.253 -0.807 -6.332 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.419 -2.388 -5.627 1.00 0.00 C ATOM 0 H VAL A 61 -6.255 -4.489 -6.682 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.153 -2.259 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.408 -1.134 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.840 -0.064 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.700 -0.304 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.015 -1.390 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.043 -1.613 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.117 -3.027 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.585 -2.988 -5.992 1.00 0.00 H new ATOM 896 N THR A 62 -3.547 -3.010 -8.879 1.00 0.00 N ATOM 897 CA THR A 62 -2.430 -3.714 -9.486 1.00 0.00 C ATOM 898 C THR A 62 -1.119 -3.329 -8.798 1.00 0.00 C ATOM 899 O THR A 62 -1.078 -2.370 -8.027 1.00 0.00 O ATOM 900 CB THR A 62 -2.440 -3.411 -10.986 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.506 -1.990 -11.053 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.729 -3.877 -11.669 1.00 0.00 C ATOM 0 H THR A 62 -3.461 -1.994 -8.877 1.00 0.00 H new ATOM 0 HA THR A 62 -2.524 -4.792 -9.356 1.00 0.00 H new ATOM 0 HB THR A 62 -1.584 -3.892 -11.459 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.515 -1.707 -11.991 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.685 -3.638 -12.732 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.838 -4.954 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.583 -3.371 -11.219 1.00 0.00 H new ATOM 910 N HIS A 63 -0.082 -4.095 -9.101 1.00 0.00 N ATOM 911 CA HIS A 63 1.227 -3.845 -8.520 1.00 0.00 C ATOM 912 C HIS A 63 1.716 -2.456 -8.934 1.00 0.00 C ATOM 913 O HIS A 63 2.372 -1.767 -8.155 1.00 0.00 O ATOM 914 CB HIS A 63 2.209 -4.956 -8.897 1.00 0.00 C ATOM 915 CG HIS A 63 3.515 -4.905 -8.141 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.047 -6.000 -7.486 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.390 -3.876 -7.947 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.191 -5.637 -6.924 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.401 -4.321 -7.210 1.00 0.00 N ATOM 0 H HIS A 63 -0.121 -4.889 -9.741 1.00 0.00 H new ATOM 0 HA HIS A 63 1.154 -3.857 -7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.735 -5.921 -8.718 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.417 -4.896 -9.965 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.279 -2.871 -8.328 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.842 -6.272 -6.342 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.203 -3.769 -6.907 1.00 0.00 H new ATOM 926 N GLU A 64 1.378 -2.087 -10.160 1.00 0.00 N ATOM 927 CA GLU A 64 1.775 -0.792 -10.689 1.00 0.00 C ATOM 928 C GLU A 64 1.403 0.319 -9.704 1.00 0.00 C ATOM 929 O GLU A 64 2.162 1.269 -9.519 1.00 0.00 O ATOM 930 CB GLU A 64 1.144 -0.543 -12.060 1.00 0.00 C ATOM 931 CG GLU A 64 1.892 0.558 -12.815 1.00 0.00 C ATOM 932 CD GLU A 64 1.555 0.527 -14.307 1.00 0.00 C ATOM 933 OE1 GLU A 64 1.895 -0.494 -14.944 1.00 0.00 O ATOM 934 OE2 GLU A 64 0.965 1.523 -14.777 1.00 0.00 O ATOM 0 H GLU A 64 0.834 -2.662 -10.803 1.00 0.00 H new ATOM 0 HA GLU A 64 2.857 -0.790 -10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.158 -1.463 -12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.099 -0.259 -11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.630 1.531 -12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.966 0.432 -12.679 1.00 0.00 H new ATOM 939 N ARG A 65 0.236 0.162 -9.098 1.00 0.00 N ATOM 940 CA ARG A 65 -0.245 1.140 -8.137 1.00 0.00 C ATOM 941 C ARG A 65 0.449 0.945 -6.788 1.00 0.00 C ATOM 942 O ARG A 65 0.665 1.907 -6.053 1.00 0.00 O ATOM 943 CB ARG A 65 -1.760 1.026 -7.946 1.00 0.00 C ATOM 944 CG ARG A 65 -2.497 1.225 -9.271 1.00 0.00 C ATOM 945 CD ARG A 65 -3.964 0.809 -9.150 1.00 0.00 C ATOM 946 NE ARG A 65 -4.800 1.632 -10.052 1.00 0.00 N ATOM 947 CZ ARG A 65 -4.851 1.474 -11.382 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.116 0.521 -11.972 1.00 0.00 N ATOM 949 NH2 ARG A 65 -5.638 2.267 -12.121 1.00 0.00 N ATOM 0 H ARG A 65 -0.391 -0.628 -9.254 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.013 2.131 -8.528 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.005 0.048 -7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.096 1.770 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.435 2.271 -9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.012 0.639 -10.052 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.073 -0.246 -9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.300 0.928 -8.120 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.373 2.366 -9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.518 -0.084 -11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.155 0.401 -12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.198 2.991 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.677 2.147 -13.133 1.00 0.00 H new ATOM 960 N LEU A 66 0.779 -0.306 -6.504 1.00 0.00 N ATOM 961 CA LEU A 66 1.445 -0.639 -5.257 1.00 0.00 C ATOM 962 C LEU A 66 2.862 -0.063 -5.269 1.00 0.00 C ATOM 963 O LEU A 66 3.713 -0.516 -6.032 1.00 0.00 O ATOM 964 CB LEU A 66 1.398 -2.149 -5.011 1.00 0.00 C ATOM 965 CG LEU A 66 0.008 -2.789 -5.033 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.107 -4.311 -5.152 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.812 -2.362 -3.814 1.00 0.00 C ATOM 0 H LEU A 66 0.597 -1.101 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 66 0.923 -0.185 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.014 -2.639 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.855 -2.354 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.519 -2.430 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.895 -4.741 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.626 -4.571 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.660 -4.707 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.795 -2.831 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.299 -2.672 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.927 -1.278 -3.814 1.00 0.00 H new ATOM 978 N ASP A 67 3.071 0.930 -4.417 1.00 0.00 N ATOM 979 CA ASP A 67 4.369 1.573 -4.321 1.00 0.00 C ATOM 980 C ASP A 67 5.160 0.947 -3.170 1.00 0.00 C ATOM 981 O ASP A 67 5.328 1.563 -2.119 1.00 0.00 O ATOM 982 CB ASP A 67 4.223 3.069 -4.034 1.00 0.00 C ATOM 983 CG ASP A 67 5.416 3.929 -4.458 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.136 3.485 -5.379 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.580 5.010 -3.853 1.00 0.00 O ATOM 0 H ASP A 67 2.362 1.305 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 67 4.884 1.436 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.331 3.436 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.059 3.204 -2.965 1.00 0.00 H new ATOM 989 N LEU A 68 5.626 -0.271 -3.408 1.00 0.00 N ATOM 990 CA LEU A 68 6.395 -0.987 -2.405 1.00 0.00 C ATOM 991 C LEU A 68 7.521 -0.087 -1.893 1.00 0.00 C ATOM 992 O LEU A 68 8.038 -0.296 -0.797 1.00 0.00 O ATOM 993 CB LEU A 68 6.882 -2.327 -2.959 1.00 0.00 C ATOM 994 CG LEU A 68 5.898 -3.078 -3.859 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.270 -4.558 -3.963 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.458 -2.883 -3.379 1.00 0.00 C ATOM 0 H LEU A 68 5.485 -0.780 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 68 5.768 -1.232 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.799 -2.153 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.141 -2.972 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 68 5.964 -2.657 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.555 -5.068 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.271 -4.653 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.250 -5.009 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.779 -3.427 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.359 -3.261 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.209 -1.822 -3.398 1.00 0.00 H new ATOM 1007 N LYS A 69 7.870 0.893 -2.713 1.00 0.00 N ATOM 1008 CA LYS A 69 8.926 1.827 -2.357 1.00 0.00 C ATOM 1009 C LYS A 69 8.492 2.642 -1.137 1.00 0.00 C ATOM 1010 O LYS A 69 9.300 3.351 -0.540 1.00 0.00 O ATOM 1011 CB LYS A 69 9.313 2.684 -3.563 1.00 0.00 C ATOM 1012 CG LYS A 69 9.675 1.809 -4.765 1.00 0.00 C ATOM 1013 CD LYS A 69 11.012 2.237 -5.373 1.00 0.00 C ATOM 1014 CE LYS A 69 11.005 2.060 -6.892 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.982 2.974 -7.525 1.00 0.00 N ATOM 0 H LYS A 69 7.441 1.061 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 69 9.831 1.288 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.486 3.344 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.159 3.321 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.730 0.765 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.890 1.878 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.211 3.280 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.819 1.647 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.247 1.028 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.007 2.258 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.964 2.841 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.734 3.958 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.935 2.766 -7.165 1.00 0.00 H new ATOM 1025 N LYS A 70 7.216 2.513 -0.804 1.00 0.00 N ATOM 1026 CA LYS A 70 6.664 3.229 0.334 1.00 0.00 C ATOM 1027 C LYS A 70 5.871 2.255 1.208 1.00 0.00 C ATOM 1028 O LYS A 70 5.106 2.675 2.075 1.00 0.00 O ATOM 1029 CB LYS A 70 5.850 4.436 -0.137 1.00 0.00 C ATOM 1030 CG LYS A 70 6.767 5.568 -0.603 1.00 0.00 C ATOM 1031 CD LYS A 70 5.988 6.874 -0.765 1.00 0.00 C ATOM 1032 CE LYS A 70 6.589 7.738 -1.876 1.00 0.00 C ATOM 1033 NZ LYS A 70 5.703 7.746 -3.062 1.00 0.00 N ATOM 0 H LYS A 70 6.549 1.924 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 70 7.464 3.635 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.191 4.139 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.214 4.789 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.573 5.708 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.231 5.297 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.946 6.653 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.997 7.426 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.733 8.756 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.572 7.355 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.117 8.350 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.600 6.777 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.769 8.117 -2.795 1.00 0.00 H new ATOM 1043 N ILE A 71 6.081 0.972 0.950 1.00 0.00 N ATOM 1044 CA ILE A 71 5.395 -0.064 1.703 1.00 0.00 C ATOM 1045 C ILE A 71 5.647 0.145 3.196 1.00 0.00 C ATOM 1046 O ILE A 71 6.535 0.905 3.580 1.00 0.00 O ATOM 1047 CB ILE A 71 5.803 -1.450 1.198 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.573 -2.279 0.822 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.686 -2.168 2.220 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.968 -3.715 0.467 1.00 0.00 C ATOM 0 H ILE A 71 6.716 0.627 0.230 1.00 0.00 H new ATOM 0 HA ILE A 71 4.318 0.002 1.550 1.00 0.00 H new ATOM 0 HB ILE A 71 6.396 -1.323 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.867 -2.287 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.064 -1.818 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.962 -3.150 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.588 -1.582 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.139 -2.284 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.076 -4.283 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.655 -3.705 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.455 -4.181 1.324 1.00 0.00 H new ATOM 1061 N GLN A 72 4.849 -0.542 4.001 1.00 0.00 N ATOM 1062 CA GLN A 72 4.975 -0.441 5.445 1.00 0.00 C ATOM 1063 C GLN A 72 4.455 -1.715 6.113 1.00 0.00 C ATOM 1064 O GLN A 72 3.495 -1.670 6.882 1.00 0.00 O ATOM 1065 CB GLN A 72 4.243 0.793 5.973 1.00 0.00 C ATOM 1066 CG GLN A 72 5.115 2.044 5.845 1.00 0.00 C ATOM 1067 CD GLN A 72 4.531 3.205 6.654 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.989 3.533 7.736 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.497 3.805 6.069 1.00 0.00 N ATOM 0 H GLN A 72 4.113 -1.171 3.680 1.00 0.00 H new ATOM 0 HA GLN A 72 6.031 -0.330 5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.315 0.934 5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.971 0.640 7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.124 1.825 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.194 2.331 4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.165 3.479 5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.037 4.591 6.528 1.00 0.00 H new ATOM 1076 N PHE A 73 5.109 -2.822 5.797 1.00 0.00 N ATOM 1077 CA PHE A 73 4.724 -4.106 6.356 1.00 0.00 C ATOM 1078 C PHE A 73 4.278 -3.958 7.812 1.00 0.00 C ATOM 1079 O PHE A 73 4.713 -3.043 8.508 1.00 0.00 O ATOM 1080 CB PHE A 73 5.961 -5.006 6.304 1.00 0.00 C ATOM 1081 CG PHE A 73 6.186 -5.677 4.947 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.778 -4.986 3.937 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.794 -6.965 4.753 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.986 -5.609 2.678 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.001 -7.587 3.494 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.594 -6.896 2.483 1.00 0.00 C ATOM 0 H PHE A 73 5.905 -2.856 5.160 1.00 0.00 H new ATOM 0 HA PHE A 73 3.892 -4.524 5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.840 -4.413 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.869 -5.777 7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.090 -3.964 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.326 -7.514 5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.456 -5.060 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.688 -8.609 3.339 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.753 -7.370 1.526 1.00 0.00 H new ATOM 1095 N PRO A 74 3.391 -4.896 8.240 1.00 0.00 N ATOM 1096 CA PRO A 74 2.881 -4.878 9.601 1.00 0.00 C ATOM 1097 C PRO A 74 3.937 -5.376 10.589 1.00 0.00 C ATOM 1098 O PRO A 74 4.933 -5.978 10.189 1.00 0.00 O ATOM 1099 CB PRO A 74 1.640 -5.755 9.566 1.00 0.00 C ATOM 1100 CG PRO A 74 1.762 -6.602 8.310 1.00 0.00 C ATOM 1101 CD PRO A 74 2.854 -5.996 7.443 1.00 0.00 C ATOM 0 HA PRO A 74 2.634 -3.874 9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.580 -6.382 10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.734 -5.149 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.007 -7.633 8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.815 -6.624 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.626 -6.729 7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.454 -5.639 6.494 1.00 0.00 H new