USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot 72:sc= 0.68 USER MOD Set 1.2: A 17 GLN : amide:sc= -9.97! C(o=-9.3!,f=-18!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.69 X(o=-2.7,f=-2.5) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 54:sc= -1.42 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -26:sc= -1.12 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.213 K(o=0.21,f=-0.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -9:sc= 0.263 USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= 0.207 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.344 K(o=-0.34,f=-4.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 7:sc= 0.0903 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0118 (180deg=-0.18) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.68) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00551 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.845 USER MOD Single : A 83 TYR OH : rot 130:sc= -0.0591 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.322! F(o=-0.83,f=-0.32!) USER MOD Single : A 86 THR OG1 : rot 39:sc= 0.18 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.411 -2.226 12.880 1.00 0.00 N ATOM 67 CA LEU A 8 -12.142 -2.713 12.349 1.00 0.00 C ATOM 68 C LEU A 8 -10.979 -2.279 13.235 1.00 0.00 C ATOM 69 O LEU A 8 -10.729 -1.086 13.411 1.00 0.00 O ATOM 70 CB LEU A 8 -11.933 -2.198 10.924 1.00 0.00 C ATOM 71 CG LEU A 8 -10.694 -2.722 10.196 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.806 -4.221 9.963 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.500 -1.989 8.877 1.00 0.00 C ATOM 0 HA LEU A 8 -12.176 -3.802 12.334 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.813 -2.455 10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.878 -1.110 10.957 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.822 -2.536 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.916 -4.576 9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.896 -4.732 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.687 -4.430 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.614 -2.375 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.374 -2.143 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.373 -0.923 9.068 1.00 0.00 H new ATOM 85 N LYS A 9 -10.268 -3.255 13.789 1.00 0.00 N ATOM 86 CA LYS A 9 -9.128 -2.975 14.654 1.00 0.00 C ATOM 87 C LYS A 9 -7.817 -3.329 13.958 1.00 0.00 C ATOM 88 O LYS A 9 -7.446 -4.500 13.871 1.00 0.00 O ATOM 89 CB LYS A 9 -9.250 -3.759 15.963 1.00 0.00 C ATOM 90 CG LYS A 9 -8.356 -3.233 17.073 1.00 0.00 C ATOM 91 CD LYS A 9 -8.501 -4.055 18.342 1.00 0.00 C ATOM 92 CE LYS A 9 -7.967 -3.308 19.554 1.00 0.00 C ATOM 93 NZ LYS A 9 -6.483 -3.382 19.642 1.00 0.00 N ATOM 0 H LYS A 9 -10.461 -4.247 13.654 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.125 -1.908 14.875 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.287 -3.730 16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.005 -4.804 15.775 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.317 -3.251 16.744 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.607 -2.193 17.281 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.551 -4.302 18.499 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.966 -4.998 18.229 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.276 -2.264 19.502 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.406 -3.726 20.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.159 -2.861 20.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.189 -4.377 19.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.063 -2.960 18.789 1.00 0.00 H new ATOM 107 N ILE A 10 -7.121 -2.310 13.466 1.00 0.00 N ATOM 108 CA ILE A 10 -5.850 -2.514 12.780 1.00 0.00 C ATOM 109 C ILE A 10 -4.834 -3.189 13.696 1.00 0.00 C ATOM 110 O ILE A 10 -4.522 -2.683 14.775 1.00 0.00 O ATOM 111 CB ILE A 10 -5.264 -1.183 12.273 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.233 -0.514 11.296 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.914 -1.417 11.612 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.030 0.980 11.173 1.00 0.00 C ATOM 0 H ILE A 10 -7.415 -1.335 13.529 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.052 -3.161 11.926 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.119 -0.518 13.125 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.118 -0.970 10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.255 -0.708 11.620 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.512 -0.467 11.259 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.226 -1.856 12.335 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.035 -2.096 10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.751 1.388 10.464 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.174 1.448 12.147 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.019 1.182 10.819 1.00 0.00 H new ATOM 126 N LEU A 11 -4.319 -4.332 13.257 1.00 0.00 N ATOM 127 CA LEU A 11 -3.335 -5.076 14.036 1.00 0.00 C ATOM 128 C LEU A 11 -1.918 -4.631 13.690 1.00 0.00 C ATOM 129 O LEU A 11 -1.138 -4.263 14.570 1.00 0.00 O ATOM 130 CB LEU A 11 -3.486 -6.577 13.785 1.00 0.00 C ATOM 131 CG LEU A 11 -4.814 -7.200 14.219 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.091 -8.470 13.430 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.803 -7.490 15.713 1.00 0.00 C ATOM 0 H LEU A 11 -4.566 -4.764 12.367 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.513 -4.871 15.092 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.352 -6.762 12.719 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.678 -7.095 14.303 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.613 -6.487 14.013 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.040 -8.899 13.752 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.142 -8.234 12.367 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.290 -9.189 13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.755 -7.933 16.005 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.994 -8.184 15.943 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.651 -6.561 16.263 1.00 0.00 H new ATOM 145 N THR A 12 -1.590 -4.666 12.402 1.00 0.00 N ATOM 146 CA THR A 12 -0.267 -4.266 11.939 1.00 0.00 C ATOM 147 C THR A 12 -0.363 -3.182 10.872 1.00 0.00 C ATOM 148 O THR A 12 -0.445 -3.460 9.676 1.00 0.00 O ATOM 149 CB THR A 12 0.515 -5.465 11.368 1.00 0.00 C ATOM 150 OG1 THR A 12 0.582 -6.514 12.340 1.00 0.00 O ATOM 151 CG2 THR A 12 1.921 -5.050 10.964 1.00 0.00 C ATOM 0 H THR A 12 -2.223 -4.967 11.661 1.00 0.00 H new ATOM 0 HA THR A 12 0.266 -3.874 12.805 1.00 0.00 H new ATOM 0 HB THR A 12 -0.009 -5.824 10.483 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.079 -7.273 11.969 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.454 -5.912 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.866 -4.272 10.203 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.452 -4.668 11.836 1.00 0.00 H new ATOM 159 N PRO A 13 -0.351 -1.915 11.313 1.00 0.00 N ATOM 160 CA PRO A 13 -0.434 -0.762 10.411 1.00 0.00 C ATOM 161 C PRO A 13 0.830 -0.587 9.575 1.00 0.00 C ATOM 162 O PRO A 13 1.934 -0.886 10.032 1.00 0.00 O ATOM 163 CB PRO A 13 -0.613 0.422 11.364 1.00 0.00 C ATOM 164 CG PRO A 13 -0.005 -0.029 12.647 1.00 0.00 C ATOM 165 CD PRO A 13 -0.254 -1.510 12.725 1.00 0.00 C ATOM 0 HA PRO A 13 -1.241 -0.869 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.117 1.315 10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.666 0.672 11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.063 0.189 12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.455 0.488 13.495 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.558 -2.027 13.236 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.170 -1.735 13.271 1.00 0.00 H new ATOM 173 N LEU A 14 0.661 -0.101 8.351 1.00 0.00 N ATOM 174 CA LEU A 14 1.789 0.114 7.451 1.00 0.00 C ATOM 175 C LEU A 14 2.847 0.997 8.106 1.00 0.00 C ATOM 176 O LEU A 14 2.538 1.819 8.969 1.00 0.00 O ATOM 177 CB LEU A 14 1.311 0.753 6.146 1.00 0.00 C ATOM 178 CG LEU A 14 0.118 0.081 5.467 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.702 1.102 4.694 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.588 -1.035 4.546 1.00 0.00 C ATOM 0 H LEU A 14 -0.246 0.152 7.958 1.00 0.00 H new ATOM 0 HA LEU A 14 2.237 -0.855 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.051 1.792 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.144 0.764 5.444 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.517 -0.354 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.547 0.605 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.070 1.867 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.078 1.568 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.275 -1.502 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.245 -0.622 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.131 -1.781 5.126 1.00 0.00 H new ATOM 192 N THR A 15 4.097 0.824 7.687 1.00 0.00 N ATOM 193 CA THR A 15 5.200 1.605 8.232 1.00 0.00 C ATOM 194 C THR A 15 5.919 2.381 7.134 1.00 0.00 C ATOM 195 O THR A 15 5.710 2.132 5.946 1.00 0.00 O ATOM 196 CB THR A 15 6.218 0.708 8.961 1.00 0.00 C ATOM 197 OG1 THR A 15 6.565 -0.410 8.136 1.00 0.00 O ATOM 198 CG2 THR A 15 5.652 0.213 10.284 1.00 0.00 C ATOM 0 H THR A 15 4.370 0.150 6.972 1.00 0.00 H new ATOM 0 HA THR A 15 4.768 2.306 8.946 1.00 0.00 H new ATOM 0 HB THR A 15 7.111 1.299 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.131 -0.107 7.396 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.388 -0.419 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.416 1.066 10.921 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.745 -0.363 10.099 1.00 0.00 H new ATOM 206 N ASP A 16 6.767 3.320 7.538 1.00 0.00 N ATOM 207 CA ASP A 16 7.519 4.131 6.587 1.00 0.00 C ATOM 208 C ASP A 16 8.709 3.354 6.032 1.00 0.00 C ATOM 209 O ASP A 16 9.536 2.846 6.787 1.00 0.00 O ATOM 210 CB ASP A 16 8.002 5.420 7.254 1.00 0.00 C ATOM 211 CG ASP A 16 8.574 5.177 8.637 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.689 4.622 8.727 1.00 0.00 O ATOM 213 OD2 ASP A 16 7.907 5.541 9.628 1.00 0.00 O ATOM 0 H ASP A 16 6.951 3.539 8.517 1.00 0.00 H new ATOM 0 HA ASP A 16 6.856 4.385 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.761 5.888 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.171 6.122 7.326 1.00 0.00 H new ATOM 218 N GLN A 17 8.786 3.267 4.708 1.00 0.00 N ATOM 219 CA GLN A 17 9.874 2.551 4.052 1.00 0.00 C ATOM 220 C GLN A 17 10.608 3.457 3.069 1.00 0.00 C ATOM 221 O GLN A 17 9.986 4.156 2.268 1.00 0.00 O ATOM 222 CB GLN A 17 9.335 1.319 3.324 1.00 0.00 C ATOM 223 CG GLN A 17 9.254 0.080 4.202 1.00 0.00 C ATOM 224 CD GLN A 17 8.015 0.065 5.076 1.00 0.00 C ATOM 225 OE1 GLN A 17 7.848 0.915 5.951 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.139 -0.905 4.844 1.00 0.00 N ATOM 0 H GLN A 17 8.109 3.683 4.069 1.00 0.00 H new ATOM 0 HA GLN A 17 10.580 2.232 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.342 1.543 2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.974 1.106 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.260 -0.809 3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.141 0.028 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.318 -1.589 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.287 -0.967 5.401 1.00 0.00 H new ATOM 235 N THR A 18 11.935 3.441 3.135 1.00 0.00 N ATOM 236 CA THR A 18 12.754 4.262 2.252 1.00 0.00 C ATOM 237 C THR A 18 13.763 3.411 1.489 1.00 0.00 C ATOM 238 O THR A 18 14.625 2.767 2.087 1.00 0.00 O ATOM 239 CB THR A 18 13.508 5.352 3.037 1.00 0.00 C ATOM 240 OG1 THR A 18 12.590 6.098 3.843 1.00 0.00 O ATOM 241 CG2 THR A 18 14.240 6.292 2.091 1.00 0.00 C ATOM 0 H THR A 18 12.466 2.868 3.791 1.00 0.00 H new ATOM 0 HA THR A 18 12.076 4.738 1.544 1.00 0.00 H new ATOM 0 HB THR A 18 14.242 4.865 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.077 6.788 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.765 7.053 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.959 5.725 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.521 6.772 1.427 1.00 0.00 H new ATOM 249 N VAL A 19 13.652 3.414 0.164 1.00 0.00 N ATOM 250 CA VAL A 19 14.556 2.644 -0.681 1.00 0.00 C ATOM 251 C VAL A 19 15.069 3.483 -1.845 1.00 0.00 C ATOM 252 O VAL A 19 14.493 4.519 -2.178 1.00 0.00 O ATOM 253 CB VAL A 19 13.868 1.382 -1.235 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.471 0.448 -0.102 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.657 1.761 -2.073 1.00 0.00 C ATOM 0 H VAL A 19 12.944 3.942 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 19 15.397 2.345 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 19 14.575 0.856 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.987 -0.438 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.361 0.150 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.781 0.961 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.183 0.858 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.946 2.311 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.973 2.387 -2.907 1.00 0.00 H new ATOM 265 N ASN A 20 16.155 3.029 -2.462 1.00 0.00 N ATOM 266 CA ASN A 20 16.746 3.738 -3.591 1.00 0.00 C ATOM 267 C ASN A 20 15.931 3.515 -4.861 1.00 0.00 C ATOM 268 O ASN A 20 15.169 2.552 -4.962 1.00 0.00 O ATOM 269 CB ASN A 20 18.189 3.279 -3.810 1.00 0.00 C ATOM 270 CG ASN A 20 19.110 3.713 -2.687 1.00 0.00 C ATOM 271 OD1 ASN A 20 19.094 3.137 -1.599 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.920 4.733 -2.947 1.00 0.00 N ATOM 0 H ASN A 20 16.644 2.173 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 20 16.742 4.803 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.213 2.193 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.556 3.682 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.563 5.069 -2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.899 5.180 -3.863 1.00 0.00 H new ATOM 279 N LEU A 21 16.097 4.409 -5.829 1.00 0.00 N ATOM 280 CA LEU A 21 15.377 4.310 -7.094 1.00 0.00 C ATOM 281 C LEU A 21 15.657 2.975 -7.777 1.00 0.00 C ATOM 282 O LEU A 21 16.808 2.554 -7.893 1.00 0.00 O ATOM 283 CB LEU A 21 15.772 5.462 -8.020 1.00 0.00 C ATOM 284 CG LEU A 21 14.838 5.724 -9.201 1.00 0.00 C ATOM 285 CD1 LEU A 21 13.713 6.664 -8.794 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.613 6.298 -10.378 1.00 0.00 C ATOM 0 H LEU A 21 16.724 5.211 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 21 14.310 4.372 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.838 6.373 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.770 5.263 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 21 14.399 4.775 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.058 6.839 -9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.140 6.215 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.134 7.612 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.931 6.478 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.081 7.237 -10.082 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.383 5.591 -10.687 1.00 0.00 H new ATOM 298 N GLY A 22 14.596 2.313 -8.229 1.00 0.00 N ATOM 299 CA GLY A 22 14.749 1.034 -8.897 1.00 0.00 C ATOM 300 C GLY A 22 14.575 -0.138 -7.951 1.00 0.00 C ATOM 301 O GLY A 22 14.211 -1.237 -8.372 1.00 0.00 O ATOM 0 H GLY A 22 13.633 2.640 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.019 0.958 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.736 0.983 -9.356 1.00 0.00 H new ATOM 305 N LYS A 23 14.837 0.094 -6.669 1.00 0.00 N ATOM 306 CA LYS A 23 14.708 -0.950 -5.660 1.00 0.00 C ATOM 307 C LYS A 23 13.322 -1.586 -5.709 1.00 0.00 C ATOM 308 O LYS A 23 12.470 -1.177 -6.497 1.00 0.00 O ATOM 309 CB LYS A 23 14.967 -0.375 -4.266 1.00 0.00 C ATOM 310 CG LYS A 23 16.441 -0.200 -3.945 1.00 0.00 C ATOM 311 CD LYS A 23 17.043 -1.473 -3.373 1.00 0.00 C ATOM 312 CE LYS A 23 18.480 -1.258 -2.924 1.00 0.00 C ATOM 313 NZ LYS A 23 19.126 -2.531 -2.502 1.00 0.00 N ATOM 0 H LYS A 23 15.140 0.997 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 23 15.450 -1.720 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.468 0.591 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.517 -1.032 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.980 0.084 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.565 0.614 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.444 -1.812 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.010 -2.262 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.052 -0.813 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.500 -0.549 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.104 -2.342 -2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.595 -2.943 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.131 -3.199 -3.299 1.00 0.00 H new ATOM 327 N GLU A 24 13.105 -2.587 -4.862 1.00 0.00 N ATOM 328 CA GLU A 24 11.822 -3.278 -4.810 1.00 0.00 C ATOM 329 C GLU A 24 11.076 -2.945 -3.521 1.00 0.00 C ATOM 330 O GLU A 24 11.303 -3.567 -2.483 1.00 0.00 O ATOM 331 CB GLU A 24 12.027 -4.791 -4.918 1.00 0.00 C ATOM 332 CG GLU A 24 10.766 -5.597 -4.655 1.00 0.00 C ATOM 333 CD GLU A 24 10.936 -7.069 -4.977 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.709 -7.745 -4.266 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.298 -7.544 -5.939 1.00 0.00 O ATOM 0 H GLU A 24 13.800 -2.937 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 24 11.222 -2.939 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.398 -5.028 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.797 -5.096 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.482 -5.488 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.949 -5.191 -5.251 1.00 0.00 H new ATOM 342 N ILE A 25 10.188 -1.961 -3.596 1.00 0.00 N ATOM 343 CA ILE A 25 9.409 -1.545 -2.436 1.00 0.00 C ATOM 344 C ILE A 25 8.435 -2.638 -2.008 1.00 0.00 C ATOM 345 O ILE A 25 7.823 -3.301 -2.845 1.00 0.00 O ATOM 346 CB ILE A 25 8.620 -0.253 -2.721 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.571 0.868 -3.146 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.820 0.160 -1.495 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.895 1.966 -3.936 1.00 0.00 C ATOM 0 H ILE A 25 9.989 -1.436 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 25 10.119 -1.357 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 25 7.924 -0.442 -3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.030 1.301 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.376 0.443 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.268 1.074 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.120 -0.633 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.498 0.335 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.629 2.726 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.460 1.547 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.108 2.418 -3.332 1.00 0.00 H new ATOM 361 N CYS A 26 8.296 -2.818 -0.699 1.00 0.00 N ATOM 362 CA CYS A 26 7.396 -3.831 -0.158 1.00 0.00 C ATOM 363 C CYS A 26 6.691 -3.318 1.093 1.00 0.00 C ATOM 364 O CYS A 26 7.322 -2.748 1.985 1.00 0.00 O ATOM 365 CB CYS A 26 8.168 -5.110 0.165 1.00 0.00 C ATOM 366 SG CYS A 26 9.256 -5.672 -1.167 1.00 0.00 S ATOM 0 H CYS A 26 8.795 -2.276 0.007 1.00 0.00 H new ATOM 0 HA CYS A 26 6.642 -4.053 -0.913 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.765 -4.945 1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.456 -5.902 0.397 1.00 0.00 H new ATOM 0 HG CYS A 26 10.045 -4.701 -1.522 1.00 0.00 H new ATOM 372 N LEU A 27 5.380 -3.524 1.153 1.00 0.00 N ATOM 373 CA LEU A 27 4.588 -3.081 2.296 1.00 0.00 C ATOM 374 C LEU A 27 3.533 -4.120 2.662 1.00 0.00 C ATOM 375 O LEU A 27 2.817 -4.626 1.797 1.00 0.00 O ATOM 376 CB LEU A 27 3.915 -1.742 1.987 1.00 0.00 C ATOM 377 CG LEU A 27 4.848 -0.600 1.584 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.137 0.365 0.647 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.361 0.131 2.816 1.00 0.00 C ATOM 0 H LEU A 27 4.843 -3.994 0.425 1.00 0.00 H new ATOM 0 HA LEU A 27 5.259 -2.956 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.195 -1.897 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.350 -1.430 2.866 1.00 0.00 H new ATOM 0 HG LEU A 27 5.702 -1.024 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.817 1.171 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.820 -0.166 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.264 0.782 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.023 0.940 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.519 0.543 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.909 -0.566 3.451 1.00 0.00 H new ATOM 391 N LYS A 28 3.440 -4.433 3.950 1.00 0.00 N ATOM 392 CA LYS A 28 2.470 -5.408 4.434 1.00 0.00 C ATOM 393 C LYS A 28 1.724 -4.876 5.653 1.00 0.00 C ATOM 394 O LYS A 28 2.316 -4.242 6.527 1.00 0.00 O ATOM 395 CB LYS A 28 3.171 -6.723 4.785 1.00 0.00 C ATOM 396 CG LYS A 28 2.213 -7.844 5.150 1.00 0.00 C ATOM 397 CD LYS A 28 2.958 -9.097 5.579 1.00 0.00 C ATOM 398 CE LYS A 28 3.372 -9.026 7.041 1.00 0.00 C ATOM 399 NZ LYS A 28 4.120 -10.242 7.465 1.00 0.00 N ATOM 0 H LYS A 28 4.026 -4.025 4.678 1.00 0.00 H new ATOM 0 HA LYS A 28 1.747 -5.589 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.780 -7.038 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.851 -6.551 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.557 -7.515 5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.577 -8.073 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.325 -9.970 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.842 -9.227 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.992 -8.144 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.485 -8.909 7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.384 -10.155 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.519 -11.081 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.979 -10.340 6.888 1.00 0.00 H new ATOM 413 N CYS A 29 0.423 -5.139 5.705 1.00 0.00 N ATOM 414 CA CYS A 29 -0.404 -4.687 6.818 1.00 0.00 C ATOM 415 C CYS A 29 -1.401 -5.766 7.228 1.00 0.00 C ATOM 416 O CYS A 29 -1.918 -6.498 6.386 1.00 0.00 O ATOM 417 CB CYS A 29 -1.148 -3.405 6.440 1.00 0.00 C ATOM 418 SG CYS A 29 -2.031 -3.502 4.865 1.00 0.00 S ATOM 0 H CYS A 29 -0.082 -5.663 4.990 1.00 0.00 H new ATOM 0 HA CYS A 29 0.251 -4.482 7.665 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.860 -3.165 7.229 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.434 -2.583 6.394 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.458 -4.383 4.100 1.00 0.00 H new ATOM 424 N GLU A 30 -1.665 -5.858 8.528 1.00 0.00 N ATOM 425 CA GLU A 30 -2.598 -6.849 9.049 1.00 0.00 C ATOM 426 C GLU A 30 -3.835 -6.176 9.637 1.00 0.00 C ATOM 427 O GLU A 30 -3.748 -5.094 10.217 1.00 0.00 O ATOM 428 CB GLU A 30 -1.918 -7.711 10.115 1.00 0.00 C ATOM 429 CG GLU A 30 -2.600 -9.050 10.341 1.00 0.00 C ATOM 430 CD GLU A 30 -1.679 -10.075 10.974 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.925 -10.734 10.229 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.713 -10.218 12.214 1.00 0.00 O ATOM 0 H GLU A 30 -1.246 -5.258 9.239 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.911 -7.486 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.882 -7.885 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.896 -7.161 11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.471 -8.906 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.964 -9.434 9.388 1.00 0.00 H new ATOM 439 N ILE A 31 -4.984 -6.825 9.482 1.00 0.00 N ATOM 440 CA ILE A 31 -6.238 -6.290 9.997 1.00 0.00 C ATOM 441 C ILE A 31 -7.065 -7.379 10.671 1.00 0.00 C ATOM 442 O ILE A 31 -6.883 -8.567 10.403 1.00 0.00 O ATOM 443 CB ILE A 31 -7.077 -5.644 8.878 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.194 -6.594 7.685 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.458 -4.321 8.450 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.152 -6.111 6.619 1.00 0.00 C ATOM 0 H ILE A 31 -5.072 -7.722 9.004 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.977 -5.528 10.731 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.078 -5.448 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.208 -6.730 7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.521 -7.571 8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.061 -3.876 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.421 -3.644 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.447 -4.495 8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.184 -6.834 5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.148 -6.002 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.815 -5.148 6.236 1.00 0.00 H new ATOM 458 N SER A 32 -7.976 -6.967 11.547 1.00 0.00 N ATOM 459 CA SER A 32 -8.830 -7.908 12.262 1.00 0.00 C ATOM 460 C SER A 32 -10.156 -8.100 11.532 1.00 0.00 C ATOM 461 O SER A 32 -11.223 -8.071 12.144 1.00 0.00 O ATOM 462 CB SER A 32 -9.086 -7.415 13.687 1.00 0.00 C ATOM 463 OG SER A 32 -9.343 -8.500 14.563 1.00 0.00 O ATOM 0 H SER A 32 -8.142 -5.988 11.779 1.00 0.00 H new ATOM 0 HA SER A 32 -8.316 -8.868 12.304 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.222 -6.854 14.042 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.934 -6.731 13.692 1.00 0.00 H new ATOM 0 HG SER A 32 -9.502 -8.159 15.468 1.00 0.00 H new ATOM 469 N GLU A 33 -10.079 -8.297 10.220 1.00 0.00 N ATOM 470 CA GLU A 33 -11.273 -8.493 9.406 1.00 0.00 C ATOM 471 C GLU A 33 -10.903 -8.957 8.000 1.00 0.00 C ATOM 472 O GLU A 33 -10.019 -8.389 7.360 1.00 0.00 O ATOM 473 CB GLU A 33 -12.084 -7.198 9.330 1.00 0.00 C ATOM 474 CG GLU A 33 -13.557 -7.419 9.030 1.00 0.00 C ATOM 475 CD GLU A 33 -14.294 -8.078 10.180 1.00 0.00 C ATOM 476 OE1 GLU A 33 -13.860 -7.906 11.338 1.00 0.00 O ATOM 477 OE2 GLU A 33 -15.304 -8.765 9.921 1.00 0.00 O ATOM 0 H GLU A 33 -9.203 -8.325 9.698 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.880 -9.266 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.991 -6.665 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.657 -6.557 8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.026 -6.461 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.653 -8.039 8.139 1.00 0.00 H new ATOM 484 N ASN A 34 -11.585 -9.995 7.527 1.00 0.00 N ATOM 485 CA ASN A 34 -11.328 -10.537 6.198 1.00 0.00 C ATOM 486 C ASN A 34 -12.173 -9.824 5.147 1.00 0.00 C ATOM 487 O ASN A 34 -13.236 -10.308 4.757 1.00 0.00 O ATOM 488 CB ASN A 34 -11.622 -12.038 6.171 1.00 0.00 C ATOM 489 CG ASN A 34 -11.692 -12.589 4.759 1.00 0.00 C ATOM 490 OD1 ASN A 34 -12.747 -13.031 4.306 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.564 -12.564 4.058 1.00 0.00 N ATOM 0 H ASN A 34 -12.320 -10.478 8.044 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.276 -10.375 5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.848 -12.567 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.567 -12.230 6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.549 -12.921 3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.713 -12.188 4.475 1.00 0.00 H new ATOM 498 N ILE A 35 -11.692 -8.672 4.691 1.00 0.00 N ATOM 499 CA ILE A 35 -12.402 -7.893 3.684 1.00 0.00 C ATOM 500 C ILE A 35 -11.434 -7.291 2.671 1.00 0.00 C ATOM 501 O ILE A 35 -10.272 -7.017 2.973 1.00 0.00 O ATOM 502 CB ILE A 35 -13.226 -6.760 4.326 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.308 -5.796 5.080 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.280 -7.336 5.260 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.824 -4.375 5.117 1.00 0.00 C ATOM 0 H ILE A 35 -10.814 -8.258 5.003 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.078 -8.579 3.174 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.732 -6.206 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.179 -6.154 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.323 -5.804 4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.854 -6.524 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.949 -7.986 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.793 -7.911 6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.123 -3.748 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.926 -3.998 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.795 -4.353 5.611 1.00 0.00 H new ATOM 517 N PRO A 36 -11.923 -7.077 1.441 1.00 0.00 N ATOM 518 CA PRO A 36 -11.118 -6.503 0.358 1.00 0.00 C ATOM 519 C PRO A 36 -10.797 -5.031 0.593 1.00 0.00 C ATOM 520 O PRO A 36 -11.555 -4.317 1.248 1.00 0.00 O ATOM 521 CB PRO A 36 -12.012 -6.666 -0.873 1.00 0.00 C ATOM 522 CG PRO A 36 -13.399 -6.709 -0.331 1.00 0.00 C ATOM 523 CD PRO A 36 -13.298 -7.380 1.011 1.00 0.00 C ATOM 0 HA PRO A 36 -10.149 -6.994 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.884 -5.836 -1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.772 -7.578 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.812 -5.705 -0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.061 -7.264 -0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.034 -6.988 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.469 -8.454 0.937 1.00 0.00 H new ATOM 531 N GLY A 37 -9.668 -4.582 0.052 1.00 0.00 N ATOM 532 CA GLY A 37 -9.267 -3.197 0.214 1.00 0.00 C ATOM 533 C GLY A 37 -8.460 -2.686 -0.963 1.00 0.00 C ATOM 534 O GLY A 37 -7.804 -3.461 -1.660 1.00 0.00 O ATOM 0 H GLY A 37 -9.024 -5.153 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.155 -2.577 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.678 -3.097 1.126 1.00 0.00 H new ATOM 538 N LYS A 38 -8.507 -1.377 -1.187 1.00 0.00 N ATOM 539 CA LYS A 38 -7.775 -0.762 -2.288 1.00 0.00 C ATOM 540 C LYS A 38 -6.821 0.311 -1.774 1.00 0.00 C ATOM 541 O LYS A 38 -7.136 1.033 -0.828 1.00 0.00 O ATOM 542 CB LYS A 38 -8.750 -0.152 -3.298 1.00 0.00 C ATOM 543 CG LYS A 38 -9.403 -1.177 -4.209 1.00 0.00 C ATOM 544 CD LYS A 38 -10.416 -0.532 -5.139 1.00 0.00 C ATOM 545 CE LYS A 38 -11.513 -1.510 -5.534 1.00 0.00 C ATOM 546 NZ LYS A 38 -11.164 -2.265 -6.769 1.00 0.00 N ATOM 0 H LYS A 38 -9.045 -0.721 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.189 -1.538 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.527 0.390 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.218 0.578 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.637 -1.682 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.896 -1.940 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.859 0.336 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.911 -0.170 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.687 -2.210 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.445 -0.967 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.936 -2.920 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.023 -1.599 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.289 -2.804 -6.611 1.00 0.00 H new ATOM 560 N TRP A 39 -5.657 0.412 -2.405 1.00 0.00 N ATOM 561 CA TRP A 39 -4.658 1.399 -2.012 1.00 0.00 C ATOM 562 C TRP A 39 -4.785 2.666 -2.850 1.00 0.00 C ATOM 563 O TRP A 39 -5.277 2.630 -3.979 1.00 0.00 O ATOM 564 CB TRP A 39 -3.251 0.816 -2.155 1.00 0.00 C ATOM 565 CG TRP A 39 -3.085 -0.510 -1.478 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.784 -1.655 -1.735 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.163 -0.828 -0.429 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.352 -2.665 -0.910 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.358 -2.183 -0.100 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.191 -0.100 0.262 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.616 -2.822 0.890 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.456 -0.735 1.244 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.671 -2.085 1.551 1.00 0.00 C ATOM 0 H TRP A 39 -5.382 -0.177 -3.191 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.831 1.658 -0.968 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.017 0.707 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.530 1.520 -1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.562 -1.752 -2.478 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.713 -3.619 -0.902 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.017 0.941 0.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.780 -3.863 1.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.297 -0.181 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.080 -2.553 2.324 1.00 0.00 H new ATOM 584 N THR A 40 -4.337 3.787 -2.293 1.00 0.00 N ATOM 585 CA THR A 40 -4.402 5.066 -2.990 1.00 0.00 C ATOM 586 C THR A 40 -3.149 5.896 -2.733 1.00 0.00 C ATOM 587 O THR A 40 -2.647 5.950 -1.610 1.00 0.00 O ATOM 588 CB THR A 40 -5.639 5.877 -2.561 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.688 5.978 -1.133 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.916 5.228 -3.073 1.00 0.00 C ATOM 0 H THR A 40 -3.925 3.835 -1.361 1.00 0.00 H new ATOM 0 HA THR A 40 -4.475 4.843 -4.054 1.00 0.00 H new ATOM 0 HB THR A 40 -5.559 6.875 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.009 5.391 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.776 5.819 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.888 5.180 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.000 4.220 -2.667 1.00 0.00 H new ATOM 598 N LYS A 41 -2.649 6.543 -3.780 1.00 0.00 N ATOM 599 CA LYS A 41 -1.455 7.373 -3.668 1.00 0.00 C ATOM 600 C LYS A 41 -1.797 8.846 -3.866 1.00 0.00 C ATOM 601 O LYS A 41 -2.654 9.190 -4.679 1.00 0.00 O ATOM 602 CB LYS A 41 -0.409 6.938 -4.696 1.00 0.00 C ATOM 603 CG LYS A 41 0.798 7.858 -4.762 1.00 0.00 C ATOM 604 CD LYS A 41 1.492 7.772 -6.110 1.00 0.00 C ATOM 605 CE LYS A 41 2.329 9.012 -6.386 1.00 0.00 C ATOM 606 NZ LYS A 41 2.437 9.296 -7.844 1.00 0.00 N ATOM 0 H LYS A 41 -3.052 6.509 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.045 7.245 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.074 5.929 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.876 6.893 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.484 8.885 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.501 7.594 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.129 6.888 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.747 7.652 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.885 9.870 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.326 8.877 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.440 9.375 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.997 8.522 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.950 10.189 -8.061 1.00 0.00 H new ATOM 620 N ASN A 42 -1.120 9.712 -3.118 1.00 0.00 N ATOM 621 CA ASN A 42 -1.352 11.149 -3.213 1.00 0.00 C ATOM 622 C ASN A 42 -2.828 11.447 -3.458 1.00 0.00 C ATOM 623 O ASN A 42 -3.173 12.302 -4.272 1.00 0.00 O ATOM 624 CB ASN A 42 -0.505 11.750 -4.337 1.00 0.00 C ATOM 625 CG ASN A 42 0.980 11.689 -4.037 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.438 10.834 -3.279 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.741 12.600 -4.633 1.00 0.00 N ATOM 0 H ASN A 42 -0.407 9.444 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.061 11.602 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.708 11.217 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.799 12.788 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.748 12.609 -4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.319 13.290 -5.254 1.00 0.00 H new ATOM 634 N GLY A 43 -3.696 10.734 -2.746 1.00 0.00 N ATOM 635 CA GLY A 43 -5.125 10.937 -2.900 1.00 0.00 C ATOM 636 C GLY A 43 -5.623 10.532 -4.273 1.00 0.00 C ATOM 637 O GLY A 43 -6.389 11.262 -4.904 1.00 0.00 O ATOM 0 H GLY A 43 -3.435 10.020 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.655 10.362 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.361 11.987 -2.727 1.00 0.00 H new ATOM 641 N LEU A 44 -5.188 9.367 -4.739 1.00 0.00 N ATOM 642 CA LEU A 44 -5.594 8.866 -6.048 1.00 0.00 C ATOM 643 C LEU A 44 -5.589 7.341 -6.073 1.00 0.00 C ATOM 644 O LEU A 44 -4.812 6.687 -5.377 1.00 0.00 O ATOM 645 CB LEU A 44 -4.663 9.408 -7.134 1.00 0.00 C ATOM 646 CG LEU A 44 -4.657 10.927 -7.316 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.547 11.346 -8.267 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.008 11.408 -7.824 1.00 0.00 C ATOM 0 H LEU A 44 -4.554 8.751 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.610 9.211 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.647 9.085 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.939 8.949 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.470 11.390 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.558 12.430 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.584 11.035 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.702 10.874 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.986 12.491 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.225 10.938 -8.783 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.783 11.141 -7.106 1.00 0.00 H new ATOM 660 N PRO A 45 -6.475 6.759 -6.895 1.00 0.00 N ATOM 661 CA PRO A 45 -6.590 5.304 -7.033 1.00 0.00 C ATOM 662 C PRO A 45 -5.385 4.692 -7.738 1.00 0.00 C ATOM 663 O PRO A 45 -5.261 4.773 -8.961 1.00 0.00 O ATOM 664 CB PRO A 45 -7.853 5.128 -7.880 1.00 0.00 C ATOM 665 CG PRO A 45 -7.974 6.398 -8.649 1.00 0.00 C ATOM 666 CD PRO A 45 -7.431 7.477 -7.754 1.00 0.00 C ATOM 0 HA PRO A 45 -6.636 4.804 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.767 4.269 -8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.729 4.959 -7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.412 6.345 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.013 6.596 -8.914 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.943 8.266 -8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.221 7.949 -7.169 1.00 0.00 H new ATOM 674 N VAL A 46 -4.499 4.078 -6.961 1.00 0.00 N ATOM 675 CA VAL A 46 -3.304 3.449 -7.512 1.00 0.00 C ATOM 676 C VAL A 46 -3.650 2.554 -8.696 1.00 0.00 C ATOM 677 O VAL A 46 -4.650 1.836 -8.672 1.00 0.00 O ATOM 678 CB VAL A 46 -2.568 2.613 -6.448 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.432 1.825 -7.080 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.051 3.508 -5.332 1.00 0.00 C ATOM 0 H VAL A 46 -4.586 4.002 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.649 4.253 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.274 1.903 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.924 1.241 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.833 1.155 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.724 2.514 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.534 2.901 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.360 4.243 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.888 4.023 -4.861 1.00 0.00 H new ATOM 690 N GLN A 47 -2.818 2.602 -9.731 1.00 0.00 N ATOM 691 CA GLN A 47 -3.036 1.794 -10.925 1.00 0.00 C ATOM 692 C GLN A 47 -2.196 0.522 -10.884 1.00 0.00 C ATOM 693 O GLN A 47 -0.973 0.580 -10.759 1.00 0.00 O ATOM 694 CB GLN A 47 -2.701 2.601 -12.180 1.00 0.00 C ATOM 695 CG GLN A 47 -3.410 2.105 -13.430 1.00 0.00 C ATOM 696 CD GLN A 47 -2.997 2.865 -14.676 1.00 0.00 C ATOM 697 OE1 GLN A 47 -3.139 4.086 -14.748 1.00 0.00 O ATOM 698 NE2 GLN A 47 -2.482 2.144 -15.665 1.00 0.00 N ATOM 0 H GLN A 47 -1.987 3.192 -9.767 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.088 1.511 -10.954 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.966 3.645 -12.012 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.624 2.568 -12.346 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.196 1.045 -13.568 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.487 2.198 -13.293 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.383 1.134 -15.562 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.186 2.600 -16.528 1.00 0.00 H new ATOM 707 N GLU A 48 -2.860 -0.624 -10.988 1.00 0.00 N ATOM 708 CA GLU A 48 -2.173 -1.910 -10.962 1.00 0.00 C ATOM 709 C GLU A 48 -1.522 -2.207 -12.309 1.00 0.00 C ATOM 710 O GLU A 48 -2.130 -2.011 -13.361 1.00 0.00 O ATOM 711 CB GLU A 48 -3.152 -3.029 -10.598 1.00 0.00 C ATOM 712 CG GLU A 48 -3.673 -2.943 -9.174 1.00 0.00 C ATOM 713 CD GLU A 48 -4.260 -4.253 -8.687 1.00 0.00 C ATOM 714 OE1 GLU A 48 -3.831 -5.316 -9.182 1.00 0.00 O ATOM 715 OE2 GLU A 48 -5.150 -4.215 -7.811 1.00 0.00 O ATOM 0 H GLU A 48 -3.873 -0.689 -11.091 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.391 -1.860 -10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.996 -3.000 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.659 -3.991 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.861 -2.645 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.434 -2.165 -9.116 1.00 0.00 H new ATOM 722 N SER A 49 -0.280 -2.680 -12.268 1.00 0.00 N ATOM 723 CA SER A 49 0.457 -3.000 -13.485 1.00 0.00 C ATOM 724 C SER A 49 1.344 -4.223 -13.277 1.00 0.00 C ATOM 725 O SER A 49 1.501 -4.707 -12.156 1.00 0.00 O ATOM 726 CB SER A 49 1.308 -1.805 -13.920 1.00 0.00 C ATOM 727 OG SER A 49 0.508 -0.799 -14.517 1.00 0.00 O ATOM 0 H SER A 49 0.237 -2.850 -11.405 1.00 0.00 H new ATOM 0 HA SER A 49 -0.265 -3.227 -14.269 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.831 -1.393 -13.057 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.070 -2.135 -14.626 1.00 0.00 H new ATOM 0 HG SER A 49 -0.439 -1.033 -14.419 1.00 0.00 H new ATOM 733 N ASP A 50 1.924 -4.717 -14.366 1.00 0.00 N ATOM 734 CA ASP A 50 2.797 -5.883 -14.304 1.00 0.00 C ATOM 735 C ASP A 50 3.748 -5.788 -13.115 1.00 0.00 C ATOM 736 O ASP A 50 3.982 -6.773 -12.414 1.00 0.00 O ATOM 737 CB ASP A 50 3.596 -6.018 -15.601 1.00 0.00 C ATOM 738 CG ASP A 50 2.717 -6.356 -16.790 1.00 0.00 C ATOM 739 OD1 ASP A 50 2.089 -7.435 -16.776 1.00 0.00 O ATOM 740 OD2 ASP A 50 2.657 -5.540 -17.733 1.00 0.00 O ATOM 0 H ASP A 50 1.805 -4.328 -15.301 1.00 0.00 H new ATOM 0 HA ASP A 50 2.172 -6.767 -14.177 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.125 -5.085 -15.797 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.352 -6.794 -15.480 1.00 0.00 H new ATOM 745 N ARG A 51 4.294 -4.597 -12.894 1.00 0.00 N ATOM 746 CA ARG A 51 5.221 -4.373 -11.791 1.00 0.00 C ATOM 747 C ARG A 51 4.467 -4.181 -10.478 1.00 0.00 C ATOM 748 O ARG A 51 4.806 -4.787 -9.461 1.00 0.00 O ATOM 749 CB ARG A 51 6.097 -3.152 -12.073 1.00 0.00 C ATOM 750 CG ARG A 51 5.311 -1.860 -12.225 1.00 0.00 C ATOM 751 CD ARG A 51 6.210 -0.706 -12.641 1.00 0.00 C ATOM 752 NE ARG A 51 5.441 0.451 -13.093 1.00 0.00 N ATOM 753 CZ ARG A 51 4.730 0.468 -14.214 1.00 0.00 C ATOM 754 NH1 ARG A 51 4.688 -0.604 -14.993 1.00 0.00 N ATOM 755 NH2 ARG A 51 4.057 1.559 -14.558 1.00 0.00 N ATOM 0 H ARG A 51 4.110 -3.772 -13.464 1.00 0.00 H new ATOM 0 HA ARG A 51 5.857 -5.253 -11.699 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.816 -3.036 -11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.669 -3.329 -12.984 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.525 -1.996 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.820 -1.619 -11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.841 -0.416 -11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.875 -1.034 -13.440 1.00 0.00 H new ATOM 0 HE ARG A 51 5.451 1.292 -12.516 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.203 -1.445 -14.732 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.141 -0.588 -15.854 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.086 2.385 -13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.511 1.571 -15.420 1.00 0.00 H new ATOM 769 N LEU A 52 3.446 -3.332 -10.508 1.00 0.00 N ATOM 770 CA LEU A 52 2.644 -3.059 -9.320 1.00 0.00 C ATOM 771 C LEU A 52 1.534 -4.093 -9.162 1.00 0.00 C ATOM 772 O LEU A 52 0.481 -3.992 -9.791 1.00 0.00 O ATOM 773 CB LEU A 52 2.041 -1.655 -9.400 1.00 0.00 C ATOM 774 CG LEU A 52 1.604 -1.035 -8.072 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.510 0.477 -8.195 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.272 -1.620 -7.623 1.00 0.00 C ATOM 0 H LEU A 52 3.154 -2.821 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 52 3.297 -3.119 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.772 -0.993 -9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.177 -1.690 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 52 2.354 -1.272 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.198 0.901 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.484 0.881 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.780 0.735 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.024 -1.167 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.488 -1.414 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.373 -2.698 -7.494 1.00 0.00 H new ATOM 788 N LYS A 53 1.776 -5.088 -8.315 1.00 0.00 N ATOM 789 CA LYS A 53 0.797 -6.140 -8.070 1.00 0.00 C ATOM 790 C LYS A 53 0.303 -6.098 -6.628 1.00 0.00 C ATOM 791 O LYS A 53 1.098 -6.045 -5.689 1.00 0.00 O ATOM 792 CB LYS A 53 1.406 -7.512 -8.372 1.00 0.00 C ATOM 793 CG LYS A 53 0.405 -8.652 -8.293 1.00 0.00 C ATOM 794 CD LYS A 53 -0.536 -8.651 -9.485 1.00 0.00 C ATOM 795 CE LYS A 53 -1.809 -9.430 -9.191 1.00 0.00 C ATOM 796 NZ LYS A 53 -2.697 -8.704 -8.242 1.00 0.00 N ATOM 0 H LYS A 53 2.643 -5.188 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.053 -5.973 -8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.845 -7.494 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.217 -7.703 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.937 -9.602 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.172 -8.567 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.789 -7.624 -9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.032 -9.087 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.345 -9.614 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.551 -10.404 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.655 -9.107 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.325 -8.800 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.732 -7.697 -8.501 1.00 0.00 H new ATOM 810 N VAL A 54 -1.015 -6.123 -6.458 1.00 0.00 N ATOM 811 CA VAL A 54 -1.616 -6.091 -5.130 1.00 0.00 C ATOM 812 C VAL A 54 -2.103 -7.474 -4.712 1.00 0.00 C ATOM 813 O VAL A 54 -3.155 -7.934 -5.156 1.00 0.00 O ATOM 814 CB VAL A 54 -2.797 -5.104 -5.072 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.429 -5.108 -3.688 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.340 -3.704 -5.454 1.00 0.00 C ATOM 0 H VAL A 54 -1.687 -6.165 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.840 -5.759 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.551 -5.424 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.261 -4.405 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.793 -6.109 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.685 -4.813 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.187 -3.019 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.567 -3.372 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.938 -3.716 -6.467 1.00 0.00 H new ATOM 826 N VAL A 55 -1.330 -8.134 -3.855 1.00 0.00 N ATOM 827 CA VAL A 55 -1.683 -9.465 -3.376 1.00 0.00 C ATOM 828 C VAL A 55 -2.330 -9.398 -1.997 1.00 0.00 C ATOM 829 O VAL A 55 -1.886 -8.649 -1.128 1.00 0.00 O ATOM 830 CB VAL A 55 -0.447 -10.382 -3.307 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.828 -11.750 -2.760 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.199 -10.508 -4.679 1.00 0.00 C ATOM 0 H VAL A 55 -0.455 -7.768 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.395 -9.880 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 55 0.279 -9.935 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.057 -12.385 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.242 -11.639 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.572 -12.208 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.071 -11.159 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.518 -10.933 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.508 -9.523 -5.027 1.00 0.00 H new ATOM 842 N GLN A 56 -3.382 -10.188 -1.805 1.00 0.00 N ATOM 843 CA GLN A 56 -4.091 -10.218 -0.531 1.00 0.00 C ATOM 844 C GLN A 56 -4.133 -11.634 0.035 1.00 0.00 C ATOM 845 O GLN A 56 -4.424 -12.592 -0.682 1.00 0.00 O ATOM 846 CB GLN A 56 -5.513 -9.682 -0.702 1.00 0.00 C ATOM 847 CG GLN A 56 -6.250 -9.483 0.613 1.00 0.00 C ATOM 848 CD GLN A 56 -7.748 -9.342 0.426 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.231 -9.147 -0.690 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.493 -9.439 1.521 1.00 0.00 N ATOM 0 H GLN A 56 -3.762 -10.815 -2.514 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.553 -9.581 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.473 -8.731 -1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.080 -10.373 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.048 -10.329 1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.864 -8.593 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.051 -9.601 2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.507 -9.352 1.457 1.00 0.00 H new ATOM 859 N LYS A 57 -3.840 -11.759 1.325 1.00 0.00 N ATOM 860 CA LYS A 57 -3.846 -13.058 1.988 1.00 0.00 C ATOM 861 C LYS A 57 -4.817 -13.064 3.164 1.00 0.00 C ATOM 862 O LYS A 57 -4.467 -12.661 4.273 1.00 0.00 O ATOM 863 CB LYS A 57 -2.438 -13.411 2.474 1.00 0.00 C ATOM 864 CG LYS A 57 -1.474 -13.748 1.350 1.00 0.00 C ATOM 865 CD LYS A 57 -1.561 -15.215 0.962 1.00 0.00 C ATOM 866 CE LYS A 57 -0.262 -15.705 0.340 1.00 0.00 C ATOM 867 NZ LYS A 57 -0.123 -15.261 -1.075 1.00 0.00 N ATOM 0 H LYS A 57 -3.595 -10.977 1.932 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.173 -13.806 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.039 -12.573 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.500 -14.260 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.695 -13.127 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.456 -13.512 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.792 -15.813 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.380 -15.358 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.582 -15.334 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.226 -16.793 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.775 -15.615 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.915 -15.636 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.132 -14.222 -1.115 1.00 0.00 H new ATOM 881 N GLY A 58 -6.039 -13.526 2.915 1.00 0.00 N ATOM 882 CA GLY A 58 -7.041 -13.577 3.963 1.00 0.00 C ATOM 883 C GLY A 58 -7.217 -12.243 4.662 1.00 0.00 C ATOM 884 O GLY A 58 -7.948 -11.376 4.183 1.00 0.00 O ATOM 0 H GLY A 58 -6.352 -13.866 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.994 -13.888 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.758 -14.333 4.695 1.00 0.00 H new ATOM 888 N ARG A 59 -6.548 -12.079 5.798 1.00 0.00 N ATOM 889 CA ARG A 59 -6.637 -10.843 6.566 1.00 0.00 C ATOM 890 C ARG A 59 -5.320 -10.074 6.512 1.00 0.00 C ATOM 891 O ARG A 59 -4.835 -9.583 7.532 1.00 0.00 O ATOM 892 CB ARG A 59 -7.005 -11.145 8.020 1.00 0.00 C ATOM 893 CG ARG A 59 -8.328 -11.877 8.174 1.00 0.00 C ATOM 894 CD ARG A 59 -8.539 -12.353 9.603 1.00 0.00 C ATOM 895 NE ARG A 59 -9.954 -12.420 9.954 1.00 0.00 N ATOM 896 CZ ARG A 59 -10.398 -12.522 11.202 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.540 -12.568 12.212 1.00 0.00 N ATOM 898 NH2 ARG A 59 -11.701 -12.578 11.442 1.00 0.00 N ATOM 0 H ARG A 59 -5.938 -12.787 6.207 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.418 -10.225 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.213 -11.745 8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.051 -10.209 8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.146 -11.217 7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.353 -12.731 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.088 -13.337 9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.027 -11.678 10.289 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.640 -12.387 9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.537 -12.525 12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.883 -12.646 13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.364 -12.543 10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.040 -12.656 12.401 1.00 0.00 H new ATOM 912 N ILE A 60 -4.748 -9.974 5.317 1.00 0.00 N ATOM 913 CA ILE A 60 -3.488 -9.264 5.131 1.00 0.00 C ATOM 914 C ILE A 60 -3.380 -8.697 3.720 1.00 0.00 C ATOM 915 O ILE A 60 -3.681 -9.380 2.740 1.00 0.00 O ATOM 916 CB ILE A 60 -2.281 -10.182 5.398 1.00 0.00 C ATOM 917 CG1 ILE A 60 -2.326 -10.719 6.830 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.980 -9.433 5.148 1.00 0.00 C ATOM 919 CD1 ILE A 60 -1.239 -11.726 7.133 1.00 0.00 C ATOM 0 H ILE A 60 -5.136 -10.375 4.463 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.477 -8.445 5.850 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.329 -11.028 4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.240 -9.884 7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.297 -11.181 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.136 -10.095 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.947 -9.096 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.923 -8.570 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.333 -12.063 8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.337 -12.580 6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.263 -11.262 6.990 1.00 0.00 H new ATOM 931 N HIS A 61 -2.947 -7.444 3.623 1.00 0.00 N ATOM 932 CA HIS A 61 -2.796 -6.785 2.331 1.00 0.00 C ATOM 933 C HIS A 61 -1.333 -6.441 2.064 1.00 0.00 C ATOM 934 O HIS A 61 -0.765 -5.557 2.705 1.00 0.00 O ATOM 935 CB HIS A 61 -3.648 -5.517 2.279 1.00 0.00 C ATOM 936 CG HIS A 61 -5.117 -5.776 2.407 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.940 -5.998 1.323 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.911 -5.851 3.501 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.176 -6.196 1.744 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.186 -6.112 3.062 1.00 0.00 N ATOM 0 H HIS A 61 -2.695 -6.865 4.424 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.136 -7.474 1.558 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.335 -4.846 3.079 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.459 -5.001 1.338 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.600 -5.728 4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.033 -6.393 1.117 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.007 -6.223 3.657 1.00 0.00 H new ATOM 949 N LYS A 62 -0.729 -7.147 1.114 1.00 0.00 N ATOM 950 CA LYS A 62 0.667 -6.917 0.761 1.00 0.00 C ATOM 951 C LYS A 62 0.779 -6.228 -0.596 1.00 0.00 C ATOM 952 O LYS A 62 0.136 -6.634 -1.565 1.00 0.00 O ATOM 953 CB LYS A 62 1.433 -8.242 0.737 1.00 0.00 C ATOM 954 CG LYS A 62 2.936 -8.072 0.597 1.00 0.00 C ATOM 955 CD LYS A 62 3.689 -9.222 1.245 1.00 0.00 C ATOM 956 CE LYS A 62 3.365 -10.549 0.575 1.00 0.00 C ATOM 957 NZ LYS A 62 4.090 -10.709 -0.716 1.00 0.00 N ATOM 0 H LYS A 62 -1.184 -7.883 0.575 1.00 0.00 H new ATOM 0 HA LYS A 62 1.104 -6.265 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.222 -8.791 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.066 -8.850 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.200 -8.012 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.241 -7.131 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.761 -9.035 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.433 -9.275 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.629 -11.368 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.291 -10.615 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.843 -11.625 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.819 -9.942 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.115 -10.672 -0.545 1.00 0.00 H new ATOM 971 N LEU A 63 1.600 -5.186 -0.659 1.00 0.00 N ATOM 972 CA LEU A 63 1.797 -4.441 -1.898 1.00 0.00 C ATOM 973 C LEU A 63 3.268 -4.084 -2.090 1.00 0.00 C ATOM 974 O LEU A 63 3.796 -3.199 -1.417 1.00 0.00 O ATOM 975 CB LEU A 63 0.948 -3.169 -1.892 1.00 0.00 C ATOM 976 CG LEU A 63 0.714 -2.513 -3.253 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.580 -1.713 -3.244 1.00 0.00 C ATOM 978 CD2 LEU A 63 1.890 -1.622 -3.626 1.00 0.00 C ATOM 0 H LEU A 63 2.140 -4.838 0.133 1.00 0.00 H new ATOM 0 HA LEU A 63 1.484 -5.075 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.021 -3.405 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.425 -2.440 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 63 0.627 -3.299 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.730 -1.253 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.416 -2.376 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.522 -0.936 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.705 -1.164 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.009 -0.842 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.799 -2.221 -3.674 1.00 0.00 H new ATOM 990 N VAL A 64 3.924 -4.778 -3.015 1.00 0.00 N ATOM 991 CA VAL A 64 5.333 -4.533 -3.299 1.00 0.00 C ATOM 992 C VAL A 64 5.538 -4.132 -4.755 1.00 0.00 C ATOM 993 O VAL A 64 4.994 -4.758 -5.664 1.00 0.00 O ATOM 994 CB VAL A 64 6.192 -5.774 -2.993 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.732 -6.438 -1.704 1.00 0.00 C ATOM 996 CG2 VAL A 64 6.141 -6.755 -4.155 1.00 0.00 C ATOM 0 H VAL A 64 3.502 -5.515 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 64 5.649 -3.715 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 64 7.226 -5.455 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.351 -7.313 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.824 -5.732 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.691 -6.745 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.753 -7.626 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.111 -7.069 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.523 -6.273 -5.055 1.00 0.00 H new ATOM 1006 N ILE A 65 6.327 -3.084 -4.969 1.00 0.00 N ATOM 1007 CA ILE A 65 6.606 -2.600 -6.315 1.00 0.00 C ATOM 1008 C ILE A 65 7.905 -3.190 -6.853 1.00 0.00 C ATOM 1009 O ILE A 65 8.873 -3.364 -6.113 1.00 0.00 O ATOM 1010 CB ILE A 65 6.698 -1.064 -6.354 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.529 -0.442 -5.588 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.718 -0.570 -7.793 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.648 1.057 -5.415 1.00 0.00 C ATOM 0 H ILE A 65 6.784 -2.554 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 65 5.776 -2.921 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 65 7.627 -0.758 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.601 -0.666 -6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.460 -0.909 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.783 0.518 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.581 -0.990 -8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.804 -0.883 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.785 1.429 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.559 1.288 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.686 1.534 -6.394 1.00 0.00 H new ATOM 1025 N ALA A 66 7.919 -3.494 -8.147 1.00 0.00 N ATOM 1026 CA ALA A 66 9.101 -4.061 -8.785 1.00 0.00 C ATOM 1027 C ALA A 66 10.204 -3.017 -8.924 1.00 0.00 C ATOM 1028 O ALA A 66 11.317 -3.209 -8.437 1.00 0.00 O ATOM 1029 CB ALA A 66 8.741 -4.634 -10.148 1.00 0.00 C ATOM 0 H ALA A 66 7.126 -3.357 -8.773 1.00 0.00 H new ATOM 0 HA ALA A 66 9.475 -4.865 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.633 -5.054 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.992 -5.417 -10.027 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.340 -3.842 -10.781 1.00 0.00 H new ATOM 1035 N ASN A 67 9.887 -1.912 -9.591 1.00 0.00 N ATOM 1036 CA ASN A 67 10.852 -0.838 -9.794 1.00 0.00 C ATOM 1037 C ASN A 67 10.378 0.452 -9.131 1.00 0.00 C ATOM 1038 O ASN A 67 9.452 1.105 -9.612 1.00 0.00 O ATOM 1039 CB ASN A 67 11.078 -0.603 -11.289 1.00 0.00 C ATOM 1040 CG ASN A 67 11.959 -1.667 -11.915 1.00 0.00 C ATOM 1041 OD1 ASN A 67 13.154 -1.457 -12.120 1.00 0.00 O ATOM 1042 ND2 ASN A 67 11.370 -2.818 -12.221 1.00 0.00 N ATOM 0 H ASN A 67 8.969 -1.737 -10.000 1.00 0.00 H new ATOM 0 HA ASN A 67 11.794 -1.138 -9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.116 -0.585 -11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.535 0.376 -11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.912 -3.572 -12.644 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.376 -2.948 -12.033 1.00 0.00 H new ATOM 1049 N ALA A 68 11.020 0.813 -8.025 1.00 0.00 N ATOM 1050 CA ALA A 68 10.666 2.026 -7.298 1.00 0.00 C ATOM 1051 C ALA A 68 11.000 3.271 -8.112 1.00 0.00 C ATOM 1052 O ALA A 68 12.168 3.631 -8.265 1.00 0.00 O ATOM 1053 CB ALA A 68 11.380 2.063 -5.955 1.00 0.00 C ATOM 0 H ALA A 68 11.788 0.283 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 68 9.590 2.016 -7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.107 2.974 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.088 1.195 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.458 2.046 -6.115 1.00 0.00 H new ATOM 1059 N LEU A 69 9.969 3.926 -8.633 1.00 0.00 N ATOM 1060 CA LEU A 69 10.153 5.132 -9.433 1.00 0.00 C ATOM 1061 C LEU A 69 9.840 6.381 -8.615 1.00 0.00 C ATOM 1062 O LEU A 69 8.915 6.389 -7.802 1.00 0.00 O ATOM 1063 CB LEU A 69 9.261 5.086 -10.675 1.00 0.00 C ATOM 1064 CG LEU A 69 9.316 3.795 -11.493 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.072 3.657 -12.357 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.571 3.761 -12.352 1.00 0.00 C ATOM 0 H LEU A 69 8.996 3.642 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 69 11.197 5.175 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.230 5.252 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.535 5.917 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 69 9.349 2.952 -10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.129 2.733 -12.932 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.188 3.635 -11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.007 4.505 -13.039 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.593 2.835 -12.927 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.569 4.612 -13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.452 3.812 -11.712 1.00 0.00 H new ATOM 1078 N THR A 70 10.617 7.437 -8.836 1.00 0.00 N ATOM 1079 CA THR A 70 10.423 8.692 -8.121 1.00 0.00 C ATOM 1080 C THR A 70 8.941 8.999 -7.942 1.00 0.00 C ATOM 1081 O THR A 70 8.497 9.341 -6.846 1.00 0.00 O ATOM 1082 CB THR A 70 11.094 9.867 -8.856 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.445 9.529 -9.191 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.078 11.123 -7.998 1.00 0.00 C ATOM 0 H THR A 70 11.387 7.448 -9.505 1.00 0.00 H new ATOM 0 HA THR A 70 10.887 8.573 -7.142 1.00 0.00 H new ATOM 0 HB THR A 70 10.532 10.063 -9.769 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.864 10.281 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.557 11.939 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.047 11.395 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.618 10.936 -7.070 1.00 0.00 H new ATOM 1092 N GLU A 71 8.180 8.874 -9.025 1.00 0.00 N ATOM 1093 CA GLU A 71 6.747 9.139 -8.985 1.00 0.00 C ATOM 1094 C GLU A 71 6.117 8.539 -7.731 1.00 0.00 C ATOM 1095 O GLU A 71 5.308 9.182 -7.062 1.00 0.00 O ATOM 1096 CB GLU A 71 6.066 8.571 -10.233 1.00 0.00 C ATOM 1097 CG GLU A 71 6.631 9.115 -11.534 1.00 0.00 C ATOM 1098 CD GLU A 71 6.219 10.550 -11.795 1.00 0.00 C ATOM 1099 OE1 GLU A 71 5.058 10.898 -11.491 1.00 0.00 O ATOM 1100 OE2 GLU A 71 7.055 11.325 -12.303 1.00 0.00 O ATOM 0 H GLU A 71 8.532 8.591 -9.940 1.00 0.00 H new ATOM 0 HA GLU A 71 6.604 10.219 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.166 7.486 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.000 8.794 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.719 9.053 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.296 8.489 -12.361 1.00 0.00 H new ATOM 1107 N ASP A 72 6.493 7.304 -7.421 1.00 0.00 N ATOM 1108 CA ASP A 72 5.967 6.616 -6.247 1.00 0.00 C ATOM 1109 C ASP A 72 6.171 7.454 -4.989 1.00 0.00 C ATOM 1110 O ASP A 72 5.315 7.481 -4.105 1.00 0.00 O ATOM 1111 CB ASP A 72 6.642 5.253 -6.083 1.00 0.00 C ATOM 1112 CG ASP A 72 6.513 4.390 -7.322 1.00 0.00 C ATOM 1113 OD1 ASP A 72 6.797 4.895 -8.428 1.00 0.00 O ATOM 1114 OD2 ASP A 72 6.128 3.210 -7.186 1.00 0.00 O ATOM 0 H ASP A 72 7.160 6.758 -7.966 1.00 0.00 H new ATOM 0 HA ASP A 72 4.897 6.467 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.698 5.399 -5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.200 4.732 -5.233 1.00 0.00 H new ATOM 1119 N GLU A 73 7.310 8.135 -4.916 1.00 0.00 N ATOM 1120 CA GLU A 73 7.626 8.972 -3.765 1.00 0.00 C ATOM 1121 C GLU A 73 6.454 9.886 -3.418 1.00 0.00 C ATOM 1122 O GLU A 73 5.844 10.492 -4.298 1.00 0.00 O ATOM 1123 CB GLU A 73 8.876 9.810 -4.043 1.00 0.00 C ATOM 1124 CG GLU A 73 9.285 10.697 -2.879 1.00 0.00 C ATOM 1125 CD GLU A 73 10.012 11.950 -3.329 1.00 0.00 C ATOM 1126 OE1 GLU A 73 10.981 11.826 -4.108 1.00 0.00 O ATOM 1127 OE2 GLU A 73 9.614 13.053 -2.901 1.00 0.00 O ATOM 0 H GLU A 73 8.029 8.124 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 73 7.818 8.318 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.703 9.144 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.698 10.434 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.397 10.980 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.927 10.131 -2.204 1.00 0.00 H new ATOM 1134 N GLY A 74 6.145 9.980 -2.128 1.00 0.00 N ATOM 1135 CA GLY A 74 5.048 10.821 -1.688 1.00 0.00 C ATOM 1136 C GLY A 74 4.375 10.288 -0.438 1.00 0.00 C ATOM 1137 O GLY A 74 4.991 10.222 0.627 1.00 0.00 O ATOM 0 H GLY A 74 6.635 9.489 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.420 11.827 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.312 10.901 -2.488 1.00 0.00 H new ATOM 1141 N ASP A 75 3.109 9.910 -0.565 1.00 0.00 N ATOM 1142 CA ASP A 75 2.351 9.381 0.564 1.00 0.00 C ATOM 1143 C ASP A 75 1.380 8.297 0.107 1.00 0.00 C ATOM 1144 O ASP A 75 0.669 8.465 -0.885 1.00 0.00 O ATOM 1145 CB ASP A 75 1.587 10.506 1.264 1.00 0.00 C ATOM 1146 CG ASP A 75 2.511 11.557 1.848 1.00 0.00 C ATOM 1147 OD1 ASP A 75 3.403 11.188 2.640 1.00 0.00 O ATOM 1148 OD2 ASP A 75 2.341 12.748 1.514 1.00 0.00 O ATOM 0 H ASP A 75 2.585 9.960 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 75 3.056 8.938 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.908 10.978 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.973 10.084 2.059 1.00 0.00 H new ATOM 1153 N TYR A 76 1.356 7.187 0.835 1.00 0.00 N ATOM 1154 CA TYR A 76 0.474 6.074 0.502 1.00 0.00 C ATOM 1155 C TYR A 76 -0.605 5.897 1.565 1.00 0.00 C ATOM 1156 O TYR A 76 -0.354 6.075 2.757 1.00 0.00 O ATOM 1157 CB TYR A 76 1.281 4.782 0.359 1.00 0.00 C ATOM 1158 CG TYR A 76 2.025 4.675 -0.953 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.129 5.478 -1.215 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.625 3.772 -1.930 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.812 5.384 -2.413 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.303 3.671 -3.130 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.395 4.479 -3.366 1.00 0.00 C ATOM 1164 OH TYR A 76 4.072 4.382 -4.560 1.00 0.00 O ATOM 0 H TYR A 76 1.937 7.033 1.659 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.011 6.299 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.996 4.718 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.608 3.930 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.459 6.187 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.770 3.138 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.667 6.016 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.979 2.963 -3.879 1.00 0.00 H new ATOM 0 HH TYR A 76 3.651 3.697 -5.120 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.809 5.546 1.124 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.928 5.343 2.037 1.00 0.00 C ATOM 1176 C VAL A 77 -3.790 4.165 1.596 1.00 0.00 C ATOM 1177 O VAL A 77 -4.084 4.005 0.411 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.810 6.602 2.132 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.071 6.312 2.931 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.030 7.753 2.749 1.00 0.00 C ATOM 0 H VAL A 77 -2.034 5.396 0.141 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.502 5.131 3.018 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.107 6.893 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.681 7.213 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.638 5.520 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.799 5.995 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.668 8.635 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.702 7.475 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.160 7.976 2.131 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.192 3.341 2.558 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.020 2.175 2.270 1.00 0.00 C ATOM 1192 C PHE A 78 -6.407 2.328 2.886 1.00 0.00 C ATOM 1193 O PHE A 78 -6.554 2.855 3.989 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.351 0.905 2.799 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.273 -0.280 2.852 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -6.132 -0.459 3.924 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.280 -1.215 1.830 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.982 -1.547 3.976 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.128 -2.306 1.876 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.979 -2.473 2.951 1.00 0.00 C ATOM 0 H PHE A 78 -3.958 3.459 3.544 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.129 2.096 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.497 0.663 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.962 1.098 3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.137 0.261 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.616 -1.090 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.648 -1.673 4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.125 -3.027 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.641 -3.326 2.990 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.423 1.864 2.165 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.798 1.948 2.640 1.00 0.00 C ATOM 1212 C ALA A 79 -9.585 0.696 2.266 1.00 0.00 C ATOM 1213 O ALA A 79 -9.566 0.240 1.123 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.477 3.188 2.078 1.00 0.00 C ATOM 0 H ALA A 79 -7.319 1.426 1.250 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.776 2.021 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.503 3.237 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.935 4.077 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.480 3.139 0.989 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.294 0.126 3.251 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.101 -1.081 3.049 1.00 0.00 C ATOM 1222 C PRO A 80 -12.329 -0.820 2.184 1.00 0.00 C ATOM 1223 O PRO A 80 -12.860 0.291 2.162 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.521 -1.470 4.469 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.480 -0.194 5.238 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.364 0.615 4.638 1.00 0.00 C ATOM 0 HA PRO A 80 -10.545 -1.859 2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.519 -1.908 4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.843 -2.210 4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.429 0.336 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.300 -0.382 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.577 1.683 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.424 0.457 5.167 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.776 -1.849 1.473 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.943 -1.730 0.607 1.00 0.00 C ATOM 1236 C ASP A 81 -15.231 -1.932 1.399 1.00 0.00 C ATOM 1237 O ASP A 81 -16.310 -2.073 0.824 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.866 -2.749 -0.532 1.00 0.00 C ATOM 1239 CG ASP A 81 -14.660 -2.317 -1.749 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -14.286 -1.301 -2.371 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.655 -2.996 -2.080 1.00 0.00 O ATOM 0 H ASP A 81 -12.348 -2.775 1.479 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.950 -0.725 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.824 -2.895 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.239 -3.711 -0.181 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.109 -1.946 2.723 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.263 -2.130 3.594 1.00 0.00 C ATOM 1248 C ALA A 82 -16.320 -1.046 4.665 1.00 0.00 C ATOM 1249 O ALA A 82 -17.398 -0.677 5.132 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.225 -3.509 4.236 1.00 0.00 C ATOM 0 H ALA A 82 -14.223 -1.832 3.215 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.164 -2.050 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.093 -3.633 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.241 -4.273 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.314 -3.611 4.826 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.154 -0.542 5.052 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.071 0.498 6.072 1.00 0.00 C ATOM 1258 C TYR A 83 -14.463 1.775 5.499 1.00 0.00 C ATOM 1259 O TYR A 83 -14.054 1.815 4.340 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.240 0.011 7.259 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.697 -1.318 7.815 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -15.824 -1.405 8.623 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -14.004 -2.488 7.531 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -16.246 -2.618 9.134 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -14.418 -3.705 8.036 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.540 -3.765 8.837 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.957 -4.975 9.343 1.00 0.00 O ATOM 0 H TYR A 83 -14.253 -0.836 4.675 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.082 0.720 6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.198 -0.073 6.952 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.280 0.759 8.051 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -16.380 -0.509 8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -13.126 -2.445 6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -17.123 -2.667 9.762 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.867 -4.605 7.805 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.007 -5.633 8.618 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.408 2.816 6.323 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.850 4.096 5.900 1.00 0.00 C ATOM 1279 C ASN A 84 -12.482 4.329 6.535 1.00 0.00 C ATOM 1280 O ASN A 84 -11.931 5.427 6.462 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.798 5.237 6.273 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.512 6.505 5.491 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -15.337 6.779 4.487 1.00 0.00 O flip ATOM 1284 ND2 ASN A 84 -13.561 7.229 5.787 1.00 0.00 N flip ATOM 0 H ASN A 84 -14.742 2.799 7.286 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.729 4.072 4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.827 4.925 6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.711 5.444 7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.953 6.979 6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.381 8.079 5.252 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.939 3.287 7.157 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.635 3.377 7.803 1.00 0.00 C ATOM 1293 C VAL A 85 -9.558 3.797 6.810 1.00 0.00 C ATOM 1294 O VAL A 85 -9.643 3.494 5.619 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.233 2.036 8.445 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.923 2.179 9.204 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.338 1.531 9.361 1.00 0.00 C ATOM 0 H VAL A 85 -12.382 2.371 7.227 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.719 4.133 8.583 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.087 1.303 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.655 1.222 9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.137 2.492 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.037 2.926 9.989 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.037 0.583 9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.518 2.261 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.252 1.387 8.784 1.00 0.00 H new ATOM 1307 N THR A 86 -8.542 4.496 7.307 1.00 0.00 N ATOM 1308 CA THR A 86 -7.447 4.958 6.463 1.00 0.00 C ATOM 1309 C THR A 86 -6.103 4.784 7.162 1.00 0.00 C ATOM 1310 O THR A 86 -5.910 5.254 8.285 1.00 0.00 O ATOM 1311 CB THR A 86 -7.623 6.438 6.075 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.674 7.251 7.252 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.892 6.636 5.260 1.00 0.00 C ATOM 0 H THR A 86 -8.455 4.754 8.290 1.00 0.00 H new ATOM 0 HA THR A 86 -7.465 4.348 5.560 1.00 0.00 H new ATOM 0 HB THR A 86 -6.769 6.735 5.466 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.032 6.913 7.911 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.995 7.689 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.837 6.039 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.755 6.322 5.848 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.177 4.108 6.493 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.849 3.873 7.050 1.00 0.00 C ATOM 1323 C LEU A 87 -2.781 4.600 6.239 1.00 0.00 C ATOM 1324 O LEU A 87 -2.398 4.175 5.149 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.547 2.373 7.084 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.431 1.531 8.004 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.722 1.146 7.298 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.685 0.289 8.471 1.00 0.00 C ATOM 0 H LEU A 87 -5.320 3.712 5.564 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.835 4.264 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.636 1.982 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.509 2.239 7.388 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.684 2.129 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.339 0.547 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.265 2.048 7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.489 0.567 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.330 -0.298 9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.401 -0.311 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.789 0.586 9.016 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.287 5.722 6.783 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.255 6.531 6.128 1.00 0.00 C ATOM 1342 C PRO A 88 0.100 5.831 6.101 1.00 0.00 C ATOM 1343 O PRO A 88 0.379 4.967 6.932 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.188 7.791 6.995 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.669 7.354 8.336 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.698 6.287 8.079 1.00 0.00 C ATOM 0 HA PRO A 88 -1.494 6.728 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.172 8.182 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.815 8.585 6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.847 6.967 8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.102 8.189 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.698 5.532 8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.705 6.702 8.035 1.00 0.00 H new ATOM 1354 N ALA A 89 0.937 6.209 5.141 1.00 0.00 N ATOM 1355 CA ALA A 89 2.263 5.619 5.008 1.00 0.00 C ATOM 1356 C ALA A 89 3.220 6.573 4.301 1.00 0.00 C ATOM 1357 O ALA A 89 2.939 7.049 3.201 1.00 0.00 O ATOM 1358 CB ALA A 89 2.180 4.299 4.256 1.00 0.00 C ATOM 0 H ALA A 89 0.720 6.921 4.444 1.00 0.00 H new ATOM 0 HA ALA A 89 2.652 5.431 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.178 3.869 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.537 3.609 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.766 4.472 3.262 1.00 0.00 H new ATOM 1364 N LYS A 90 4.352 6.850 4.940 1.00 0.00 N ATOM 1365 CA LYS A 90 5.351 7.747 4.373 1.00 0.00 C ATOM 1366 C LYS A 90 6.424 6.963 3.624 1.00 0.00 C ATOM 1367 O LYS A 90 6.885 5.921 4.091 1.00 0.00 O ATOM 1368 CB LYS A 90 5.997 8.588 5.477 1.00 0.00 C ATOM 1369 CG LYS A 90 5.018 9.496 6.200 1.00 0.00 C ATOM 1370 CD LYS A 90 5.649 10.132 7.428 1.00 0.00 C ATOM 1371 CE LYS A 90 6.650 11.210 7.044 1.00 0.00 C ATOM 1372 NZ LYS A 90 7.161 11.942 8.237 1.00 0.00 N ATOM 0 H LYS A 90 4.600 6.465 5.852 1.00 0.00 H new ATOM 0 HA LYS A 90 4.849 8.409 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.466 7.923 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.790 9.196 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.675 10.276 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.140 8.923 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.870 10.564 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.148 9.365 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.485 10.757 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.180 11.915 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.841 12.668 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.367 12.396 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.632 11.273 8.879 1.00 0.00 H new ATOM 1386 N VAL A 91 6.819 7.470 2.461 1.00 0.00 N ATOM 1387 CA VAL A 91 7.839 6.819 1.649 1.00 0.00 C ATOM 1388 C VAL A 91 8.748 7.844 0.981 1.00 0.00 C ATOM 1389 O VAL A 91 8.369 9.002 0.802 1.00 0.00 O ATOM 1390 CB VAL A 91 7.208 5.925 0.565 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.073 4.494 1.064 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.857 6.479 0.139 1.00 0.00 C ATOM 0 H VAL A 91 6.447 8.331 2.060 1.00 0.00 H new ATOM 0 HA VAL A 91 8.430 6.198 2.323 1.00 0.00 H new ATOM 0 HB VAL A 91 7.865 5.920 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.625 3.878 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.058 4.102 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.438 4.476 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.425 5.835 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.190 6.515 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.986 7.484 -0.262 1.00 0.00 H new ATOM 1402 N HIS A 92 9.950 7.412 0.612 1.00 0.00 N ATOM 1403 CA HIS A 92 10.913 8.293 -0.038 1.00 0.00 C ATOM 1404 C HIS A 92 11.824 7.504 -0.975 1.00 0.00 C ATOM 1405 O HIS A 92 12.028 6.304 -0.794 1.00 0.00 O ATOM 1406 CB HIS A 92 11.752 9.027 1.008 1.00 0.00 C ATOM 1407 CG HIS A 92 11.013 10.132 1.699 1.00 0.00 C ATOM 1408 ND1 HIS A 92 10.494 11.222 1.033 1.00 0.00 N ATOM 1409 CD2 HIS A 92 10.706 10.310 3.006 1.00 0.00 C ATOM 1410 CE1 HIS A 92 9.901 12.024 1.900 1.00 0.00 C ATOM 1411 NE2 HIS A 92 10.016 11.493 3.104 1.00 0.00 N ATOM 0 H HIS A 92 10.280 6.457 0.752 1.00 0.00 H new ATOM 0 HA HIS A 92 10.359 9.024 -0.627 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.098 8.310 1.753 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.639 9.439 0.527 1.00 0.00 H new ATOM 0 HD2 HIS A 92 10.957 9.645 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 92 9.407 12.955 1.664 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.651 11.896 3.967 1.00 0.00 H new ATOM 1420 N VAL A 93 12.368 8.188 -1.976 1.00 0.00 N ATOM 1421 CA VAL A 93 13.257 7.552 -2.941 1.00 0.00 C ATOM 1422 C VAL A 93 14.620 8.235 -2.966 1.00 0.00 C ATOM 1423 O VAL A 93 14.717 9.453 -2.820 1.00 0.00 O ATOM 1424 CB VAL A 93 12.657 7.577 -4.359 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.564 9.005 -4.875 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.481 6.713 -5.302 1.00 0.00 C ATOM 0 H VAL A 93 12.209 9.182 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 93 13.378 6.516 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 93 11.648 7.166 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.138 9.002 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.927 9.591 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.560 9.447 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.042 6.743 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.502 7.092 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.490 5.685 -4.940 1.00 0.00 H new ATOM 1436 N ILE A 94 15.670 7.442 -3.153 1.00 0.00 N ATOM 1437 CA ILE A 94 17.027 7.971 -3.199 1.00 0.00 C ATOM 1438 C ILE A 94 17.547 8.027 -4.632 1.00 0.00 C ATOM 1439 O ILE A 94 17.542 7.024 -5.345 1.00 0.00 O ATOM 1440 CB ILE A 94 17.991 7.122 -2.348 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.424 6.923 -0.941 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.361 7.781 -2.285 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.285 6.046 -0.061 1.00 0.00 C ATOM 0 H ILE A 94 15.607 6.431 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 94 16.986 8.980 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 94 18.101 6.144 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.305 7.896 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.430 6.482 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.031 7.170 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.766 7.876 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.269 8.770 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.822 5.949 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.383 5.060 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.272 6.496 0.046 1.00 0.00 H new