USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 741 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 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -67:sc= 0.0145 USER MOD Single : A 67 SER OG : rot 26:sc= 0.298 USER MOD Single : B 411 MET CE :methyl 140:sc= -2.75! (180deg=-4.78!) USER MOD Single : B 413 LYS NZ :NH3+ 180:sc= -2.76! (180deg=-2.76!) USER MOD Single : B 415 GLN :FLIP amide:sc= -1.5 F(o=-5.1!,f=-1.5) USER MOD Single : B 417 GLN :FLIP amide:sc= -6.92! C(o=-10!,f=-6.9!) USER MOD Single : B 418 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : B 420 TYR OH : rot 95:sc= -0.209 USER MOD Single : B 421 THR OG1 : rot 180:sc= 0 USER MOD Single : B 423 THR OG1 : rot 53:sc= 0.483 USER MOD Single : B 425 THR OG1 : rot -38:sc= 0.933 USER MOD Single : B 429 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : B 431 LYS NZ :NH3+ -156:sc= -1.88 (180deg=-3.04!) USER MOD Single : B 442 GLN : amide:sc= -2.88! C(o=-2.9!,f=-3!) USER MOD Single : B 443 ASN : amide:sc= -1.93 K(o=-1.9,f=-3!) USER MOD Single : B 447 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.8) USER MOD Single : B 453 MET CE :methyl 145:sc= -2.57 (180deg=-4.25!) USER MOD Single : B 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 458 SER OG : rot 180:sc= 0 USER MOD Single : B 461 ASN : amide:sc= -0.838 K(o=-0.84,f=-3.9!) USER MOD Single : B 462 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 463 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.033) USER MOD Single : B 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 468 LYS NZ :NH3+ -167:sc= -0.111 (180deg=-0.23) USER MOD Single : B 469 CYS SG : rot -51:sc= -0.401 USER MOD Single : B 476 ASN : amide:sc= -4.14! C(o=-4.1!,f=-11!) USER MOD Single : B 478 THR OG1 : rot -85:sc= -0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 55 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 55 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 55 2.969 -1.239 -1.297 1.00 0.00 C ATOM 4 O LEU A 55 4.167 -1.155 -1.029 1.00 0.00 O ATOM 5 CB LEU A 55 2.835 1.317 -1.413 1.00 0.00 C ATOM 6 CG LEU A 55 2.085 2.437 -2.138 1.00 0.00 C ATOM 7 CD1 LEU A 55 2.855 3.757 -2.050 1.00 0.00 C ATOM 8 CD2 LEU A 55 1.781 2.046 -3.585 1.00 0.00 C ATOM 0 HA LEU A 55 1.395 -0.060 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.120 1.678 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.758 1.113 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 55 1.128 2.588 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.301 4.537 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.977 4.038 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.836 3.638 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.248 2.859 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.714 1.852 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.164 1.148 -3.597 1.00 0.00 H new ATOM 20 N LEU A 56 2.354 -2.360 -1.644 1.00 0.00 N ATOM 21 CA LEU A 56 3.081 -3.615 -1.734 1.00 0.00 C ATOM 22 C LEU A 56 2.966 -4.166 -3.157 1.00 0.00 C ATOM 23 O LEU A 56 2.125 -5.020 -3.430 1.00 0.00 O ATOM 24 CB LEU A 56 2.602 -4.591 -0.657 1.00 0.00 C ATOM 25 CG LEU A 56 2.439 -4.010 0.749 1.00 0.00 C ATOM 26 CD1 LEU A 56 1.258 -3.040 0.809 1.00 0.00 C ATOM 27 CD2 LEU A 56 2.320 -5.124 1.792 1.00 0.00 C ATOM 0 H LEU A 56 1.361 -2.425 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 56 4.141 -3.455 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.644 -5.006 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.307 -5.420 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 56 3.336 -3.439 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.165 -2.642 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.424 -2.220 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.342 -3.565 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.205 -4.684 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.451 -5.742 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.219 -5.740 1.771 1.00 0.00 H new ATOM 39 N PRO A 57 3.847 -3.639 -4.050 1.00 0.00 N ATOM 40 CA PRO A 57 3.852 -4.068 -5.438 1.00 0.00 C ATOM 41 C PRO A 57 4.483 -5.455 -5.581 1.00 0.00 C ATOM 42 O PRO A 57 5.502 -5.745 -4.956 1.00 0.00 O ATOM 43 CB PRO A 57 4.620 -2.988 -6.181 1.00 0.00 C ATOM 44 CG PRO A 57 5.412 -2.237 -5.123 1.00 0.00 C ATOM 45 CD PRO A 57 4.858 -2.626 -3.762 1.00 0.00 C ATOM 0 HA PRO A 57 2.848 -4.178 -5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.283 -3.424 -6.929 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.941 -2.319 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.471 -2.487 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.328 -1.161 -5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.641 -3.020 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.424 -1.767 -3.251 1.00 0.00 H new ATOM 53 N THR A 58 3.850 -6.275 -6.407 1.00 0.00 N ATOM 54 CA THR A 58 4.335 -7.625 -6.639 1.00 0.00 C ATOM 55 C THR A 58 5.693 -7.590 -7.344 1.00 0.00 C ATOM 56 O THR A 58 5.855 -6.906 -8.353 1.00 0.00 O ATOM 57 CB THR A 58 3.263 -8.385 -7.422 1.00 0.00 C ATOM 58 OG1 THR A 58 3.815 -9.688 -7.591 1.00 0.00 O ATOM 59 CG2 THR A 58 3.100 -7.861 -8.851 1.00 0.00 C ATOM 0 H THR A 58 3.005 -6.031 -6.924 1.00 0.00 H new ATOM 0 HA THR A 58 4.505 -8.151 -5.700 1.00 0.00 H new ATOM 0 HB THR A 58 2.310 -8.312 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.184 -10.249 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.327 -8.435 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.813 -6.810 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.044 -7.965 -9.387 1.00 0.00 H new ATOM 67 N PRO A 59 6.659 -8.356 -6.770 1.00 0.00 N ATOM 68 CA PRO A 59 7.996 -8.420 -7.333 1.00 0.00 C ATOM 69 C PRO A 59 8.018 -9.281 -8.598 1.00 0.00 C ATOM 70 O PRO A 59 7.036 -9.949 -8.915 1.00 0.00 O ATOM 71 CB PRO A 59 8.866 -8.981 -6.219 1.00 0.00 C ATOM 72 CG PRO A 59 7.911 -9.642 -5.238 1.00 0.00 C ATOM 73 CD PRO A 59 6.503 -9.179 -5.573 1.00 0.00 C ATOM 0 HA PRO A 59 8.363 -7.446 -7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.585 -9.701 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.438 -8.190 -5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.983 -10.727 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.168 -9.371 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.841 -10.025 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.068 -8.607 -4.753 1.00 0.00 H new ATOM 81 N PRO A 60 9.179 -9.234 -9.305 1.00 0.00 N ATOM 82 CA PRO A 60 9.342 -10.001 -10.528 1.00 0.00 C ATOM 83 C PRO A 60 9.548 -11.486 -10.220 1.00 0.00 C ATOM 84 O PRO A 60 9.872 -11.850 -9.091 1.00 0.00 O ATOM 85 CB PRO A 60 10.531 -9.370 -11.233 1.00 0.00 C ATOM 86 CG PRO A 60 11.275 -8.579 -10.169 1.00 0.00 C ATOM 87 CD PRO A 60 10.363 -8.452 -8.960 1.00 0.00 C ATOM 0 HA PRO A 60 8.458 -9.971 -11.164 1.00 0.00 H new ATOM 0 HB2 PRO A 60 11.174 -10.132 -11.673 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.204 -8.721 -12.045 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.202 -9.084 -9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.548 -7.594 -10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.843 -8.836 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.107 -7.411 -8.765 1.00 0.00 H new ATOM 95 N LEU A 61 9.352 -12.302 -11.245 1.00 0.00 N ATOM 96 CA LEU A 61 9.513 -13.739 -11.099 1.00 0.00 C ATOM 97 C LEU A 61 10.938 -14.044 -10.634 1.00 0.00 C ATOM 98 O LEU A 61 11.905 -13.585 -11.241 1.00 0.00 O ATOM 99 CB LEU A 61 9.121 -14.457 -12.392 1.00 0.00 C ATOM 100 CG LEU A 61 10.269 -14.791 -13.347 1.00 0.00 C ATOM 101 CD1 LEU A 61 11.111 -15.950 -12.809 1.00 0.00 C ATOM 102 CD2 LEU A 61 9.745 -15.071 -14.757 1.00 0.00 C ATOM 0 H LEU A 61 9.083 -11.996 -12.180 1.00 0.00 H new ATOM 0 HA LEU A 61 8.839 -14.121 -10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.611 -15.384 -12.129 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.400 -13.837 -12.925 1.00 0.00 H new ATOM 0 HG LEU A 61 10.923 -13.921 -13.412 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.920 -16.167 -13.507 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.531 -15.676 -11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.483 -16.834 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.581 -15.306 -15.416 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.057 -15.916 -14.728 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.223 -14.191 -15.133 1.00 0.00 H new ATOM 114 N SER A 62 11.024 -14.816 -9.560 1.00 0.00 N ATOM 115 CA SER A 62 12.315 -15.188 -9.007 1.00 0.00 C ATOM 116 C SER A 62 12.766 -16.529 -9.587 1.00 0.00 C ATOM 117 O SER A 62 11.945 -17.312 -10.062 1.00 0.00 O ATOM 118 CB SER A 62 12.259 -15.262 -7.480 1.00 0.00 C ATOM 119 OG SER A 62 11.509 -16.385 -7.027 1.00 0.00 O ATOM 0 H SER A 62 10.220 -15.194 -9.058 1.00 0.00 H new ATOM 0 HA SER A 62 13.038 -14.420 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.272 -15.319 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.814 -14.347 -7.089 1.00 0.00 H new ATOM 0 HG SER A 62 11.498 -16.398 -6.047 1.00 0.00 H new ATOM 125 N PRO A 63 14.105 -16.760 -9.529 1.00 0.00 N ATOM 126 CA PRO A 63 14.675 -17.994 -10.043 1.00 0.00 C ATOM 127 C PRO A 63 14.398 -19.162 -9.095 1.00 0.00 C ATOM 128 O PRO A 63 13.891 -18.965 -7.992 1.00 0.00 O ATOM 129 CB PRO A 63 16.158 -17.703 -10.209 1.00 0.00 C ATOM 130 CG PRO A 63 16.442 -16.481 -9.351 1.00 0.00 C ATOM 131 CD PRO A 63 15.108 -15.855 -8.975 1.00 0.00 C ATOM 0 HA PRO A 63 14.233 -18.298 -10.992 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.761 -18.553 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.404 -17.512 -11.254 1.00 0.00 H new ATOM 0 HG2 PRO A 63 16.997 -16.763 -8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.059 -15.767 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.004 -15.763 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.010 -14.852 -9.391 1.00 0.00 H new ATOM 139 N SER A 64 14.743 -20.354 -9.560 1.00 0.00 N ATOM 140 CA SER A 64 14.538 -21.555 -8.768 1.00 0.00 C ATOM 141 C SER A 64 15.550 -21.604 -7.622 1.00 0.00 C ATOM 142 O SER A 64 16.593 -22.246 -7.737 1.00 0.00 O ATOM 143 CB SER A 64 14.653 -22.812 -9.632 1.00 0.00 C ATOM 144 OG SER A 64 13.579 -22.920 -10.562 1.00 0.00 O ATOM 0 H SER A 64 15.163 -20.514 -10.476 1.00 0.00 H new ATOM 0 HA SER A 64 13.530 -21.524 -8.354 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.600 -22.796 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.667 -23.693 -8.990 1.00 0.00 H new ATOM 0 HG SER A 64 12.740 -23.069 -10.077 1.00 0.00 H new ATOM 150 N ARG A 65 15.206 -20.918 -6.541 1.00 0.00 N ATOM 151 CA ARG A 65 16.072 -20.875 -5.375 1.00 0.00 C ATOM 152 C ARG A 65 15.924 -22.159 -4.556 1.00 0.00 C ATOM 153 O ARG A 65 15.076 -22.239 -3.669 1.00 0.00 O ATOM 154 CB ARG A 65 15.744 -19.672 -4.489 1.00 0.00 C ATOM 155 CG ARG A 65 16.318 -18.383 -5.080 1.00 0.00 C ATOM 156 CD ARG A 65 17.728 -18.117 -4.548 1.00 0.00 C ATOM 157 NE ARG A 65 18.667 -17.928 -5.676 1.00 0.00 N ATOM 158 CZ ARG A 65 19.425 -18.904 -6.195 1.00 0.00 C ATOM 159 NH1 ARG A 65 19.358 -20.143 -5.690 1.00 0.00 N ATOM 160 NH2 ARG A 65 20.248 -18.641 -7.218 1.00 0.00 N ATOM 0 H ARG A 65 14.340 -20.388 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 65 17.099 -20.782 -5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.663 -19.578 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.150 -19.830 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.343 -18.457 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.668 -17.544 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.725 -17.230 -3.914 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.055 -18.951 -3.928 1.00 0.00 H new ATOM 0 HE ARG A 65 18.742 -16.996 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.730 -20.343 -4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.934 -20.886 -6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.298 -17.698 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.825 -19.384 -7.613 1.00 0.00 H new ATOM 174 N ARG A 66 16.763 -23.131 -4.883 1.00 0.00 N ATOM 175 CA ARG A 66 16.737 -24.407 -4.188 1.00 0.00 C ATOM 176 C ARG A 66 17.827 -24.450 -3.116 1.00 0.00 C ATOM 177 O ARG A 66 19.016 -24.434 -3.433 1.00 0.00 O ATOM 178 CB ARG A 66 16.942 -25.569 -5.162 1.00 0.00 C ATOM 179 CG ARG A 66 16.785 -26.915 -4.450 1.00 0.00 C ATOM 180 CD ARG A 66 17.449 -28.038 -5.250 1.00 0.00 C ATOM 181 NE ARG A 66 16.875 -29.345 -4.858 1.00 0.00 N ATOM 182 CZ ARG A 66 17.156 -30.502 -5.472 1.00 0.00 C ATOM 183 NH1 ARG A 66 18.004 -30.523 -6.509 1.00 0.00 N ATOM 184 NH2 ARG A 66 16.589 -31.640 -5.048 1.00 0.00 N ATOM 0 H ARG A 66 17.465 -23.061 -5.620 1.00 0.00 H new ATOM 0 HA ARG A 66 15.758 -24.509 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.221 -25.498 -5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.934 -25.503 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.230 -26.859 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.727 -27.137 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.302 -27.872 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.524 -28.036 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 66 16.225 -29.366 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.436 -29.657 -6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.217 -31.405 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.944 -31.625 -4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.803 -32.521 -5.515 1.00 0.00 H new ATOM 198 N SER A 67 17.384 -24.504 -1.868 1.00 0.00 N ATOM 199 CA SER A 67 18.308 -24.551 -0.748 1.00 0.00 C ATOM 200 C SER A 67 19.411 -25.575 -1.022 1.00 0.00 C ATOM 201 O SER A 67 19.128 -26.743 -1.284 1.00 0.00 O ATOM 202 CB SER A 67 17.579 -24.892 0.553 1.00 0.00 C ATOM 203 OG SER A 67 16.979 -26.184 0.507 1.00 0.00 O ATOM 0 H SER A 67 16.398 -24.516 -1.608 1.00 0.00 H new ATOM 0 HA SER A 67 18.757 -23.564 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.282 -24.849 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.811 -24.143 0.745 1.00 0.00 H new ATOM 0 HG SER A 67 17.466 -26.749 -0.129 1.00 0.00 H new ATOM 209 N GLY A 68 20.646 -25.100 -0.952 1.00 0.00 N ATOM 210 CA GLY A 68 21.793 -25.960 -1.189 1.00 0.00 C ATOM 211 C GLY A 68 22.852 -25.775 -0.100 1.00 0.00 C ATOM 212 O GLY A 68 23.700 -24.890 -0.197 1.00 0.00 O ATOM 0 H GLY A 68 20.877 -24.131 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 21.472 -27.001 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 68 22.226 -25.735 -2.164 1.00 0.00 H new TER 216 GLY A 68 ATOM 217 N GLY B 402 3.994 -29.723 17.000 1.00 0.00 N ATOM 218 CA GLY B 402 4.890 -28.603 16.768 1.00 0.00 C ATOM 219 C GLY B 402 6.316 -28.941 17.205 1.00 0.00 C ATOM 220 O GLY B 402 6.542 -29.950 17.872 1.00 0.00 O ATOM 0 HA2 GLY B 402 4.883 -28.340 15.710 1.00 0.00 H new ATOM 0 HA3 GLY B 402 4.536 -27.730 17.316 1.00 0.00 H new ATOM 224 N ARG B 403 7.242 -28.078 16.813 1.00 0.00 N ATOM 225 CA ARG B 403 8.640 -28.273 17.156 1.00 0.00 C ATOM 226 C ARG B 403 8.846 -28.102 18.663 1.00 0.00 C ATOM 227 O ARG B 403 7.889 -27.869 19.401 1.00 0.00 O ATOM 228 CB ARG B 403 9.534 -27.280 16.411 1.00 0.00 C ATOM 229 CG ARG B 403 9.500 -25.904 17.078 1.00 0.00 C ATOM 230 CD ARG B 403 8.150 -25.219 16.855 1.00 0.00 C ATOM 231 NE ARG B 403 7.208 -25.595 17.932 1.00 0.00 N ATOM 232 CZ ARG B 403 7.320 -25.188 19.204 1.00 0.00 C ATOM 233 NH1 ARG B 403 8.334 -24.390 19.566 1.00 0.00 N ATOM 234 NH2 ARG B 403 6.418 -25.579 20.115 1.00 0.00 N ATOM 0 H ARG B 403 7.051 -27.242 16.261 1.00 0.00 H new ATOM 0 HA ARG B 403 8.915 -29.285 16.860 1.00 0.00 H new ATOM 0 HB2 ARG B 403 10.558 -27.652 16.390 1.00 0.00 H new ATOM 0 HB3 ARG B 403 9.204 -27.194 15.376 1.00 0.00 H new ATOM 0 HG2 ARG B 403 9.686 -26.009 18.147 1.00 0.00 H new ATOM 0 HG3 ARG B 403 10.299 -25.281 16.675 1.00 0.00 H new ATOM 0 HD2 ARG B 403 8.281 -24.137 16.836 1.00 0.00 H new ATOM 0 HD3 ARG B 403 7.742 -25.508 15.886 1.00 0.00 H new ATOM 0 HE ARG B 403 6.424 -26.202 17.691 1.00 0.00 H new ATOM 0 HH11 ARG B 403 9.021 -24.092 18.873 1.00 0.00 H new ATOM 0 HH12 ARG B 403 8.419 -24.080 20.534 1.00 0.00 H new ATOM 0 HH21 ARG B 403 5.646 -26.186 19.840 1.00 0.00 H new ATOM 0 HH22 ARG B 403 6.504 -25.269 21.083 1.00 0.00 H new ATOM 248 N LEU B 404 10.099 -28.224 19.074 1.00 0.00 N ATOM 249 CA LEU B 404 10.442 -28.086 20.479 1.00 0.00 C ATOM 250 C LEU B 404 11.433 -26.932 20.647 1.00 0.00 C ATOM 251 O LEU B 404 11.340 -26.163 21.602 1.00 0.00 O ATOM 252 CB LEU B 404 10.947 -29.416 21.041 1.00 0.00 C ATOM 253 CG LEU B 404 12.414 -29.748 20.764 1.00 0.00 C ATOM 254 CD1 LEU B 404 12.994 -30.633 21.869 1.00 0.00 C ATOM 255 CD2 LEU B 404 12.583 -30.376 19.379 1.00 0.00 C ATOM 0 H LEU B 404 10.889 -28.417 18.459 1.00 0.00 H new ATOM 0 HA LEU B 404 9.557 -27.835 21.064 1.00 0.00 H new ATOM 0 HB2 LEU B 404 10.793 -29.413 22.120 1.00 0.00 H new ATOM 0 HB3 LEU B 404 10.331 -30.217 20.633 1.00 0.00 H new ATOM 0 HG LEU B 404 12.981 -28.817 20.766 1.00 0.00 H new ATOM 0 HD11 LEU B 404 14.038 -30.854 21.648 1.00 0.00 H new ATOM 0 HD12 LEU B 404 12.928 -30.112 22.824 1.00 0.00 H new ATOM 0 HD13 LEU B 404 12.430 -31.564 21.923 1.00 0.00 H new ATOM 0 HD21 LEU B 404 13.635 -30.602 19.208 1.00 0.00 H new ATOM 0 HD22 LEU B 404 12.001 -31.296 19.323 1.00 0.00 H new ATOM 0 HD23 LEU B 404 12.234 -29.678 18.618 1.00 0.00 H new ATOM 267 N ASP B 405 12.359 -26.848 19.703 1.00 0.00 N ATOM 268 CA ASP B 405 13.367 -25.802 19.734 1.00 0.00 C ATOM 269 C ASP B 405 13.164 -24.868 18.539 1.00 0.00 C ATOM 270 O ASP B 405 12.643 -25.283 17.505 1.00 0.00 O ATOM 271 CB ASP B 405 14.776 -26.391 19.640 1.00 0.00 C ATOM 272 CG ASP B 405 15.093 -27.476 20.671 1.00 0.00 C ATOM 273 OD1 ASP B 405 14.864 -27.205 21.869 1.00 0.00 O ATOM 274 OD2 ASP B 405 15.557 -28.553 20.237 1.00 0.00 O ATOM 0 H ASP B 405 12.432 -27.487 18.912 1.00 0.00 H new ATOM 0 HA ASP B 405 13.264 -25.263 20.676 1.00 0.00 H new ATOM 0 HB2 ASP B 405 14.914 -26.808 18.642 1.00 0.00 H new ATOM 0 HB3 ASP B 405 15.499 -25.583 19.751 1.00 0.00 H new ATOM 279 N LEU B 406 13.586 -23.626 18.721 1.00 0.00 N ATOM 280 CA LEU B 406 13.456 -22.630 17.671 1.00 0.00 C ATOM 281 C LEU B 406 14.628 -22.767 16.697 1.00 0.00 C ATOM 282 O LEU B 406 15.657 -23.349 17.036 1.00 0.00 O ATOM 283 CB LEU B 406 13.318 -21.231 18.274 1.00 0.00 C ATOM 284 CG LEU B 406 14.508 -20.291 18.068 1.00 0.00 C ATOM 285 CD1 LEU B 406 14.079 -18.828 18.192 1.00 0.00 C ATOM 286 CD2 LEU B 406 15.651 -20.637 19.025 1.00 0.00 C ATOM 0 H LEU B 406 14.018 -23.286 19.580 1.00 0.00 H new ATOM 0 HA LEU B 406 12.544 -22.796 17.098 1.00 0.00 H new ATOM 0 HB2 LEU B 406 12.431 -20.760 17.850 1.00 0.00 H new ATOM 0 HB3 LEU B 406 13.143 -21.334 19.345 1.00 0.00 H new ATOM 0 HG LEU B 406 14.883 -20.431 17.054 1.00 0.00 H new ATOM 0 HD11 LEU B 406 14.943 -18.181 18.041 1.00 0.00 H new ATOM 0 HD12 LEU B 406 13.324 -18.605 17.439 1.00 0.00 H new ATOM 0 HD13 LEU B 406 13.664 -18.653 19.185 1.00 0.00 H new ATOM 0 HD21 LEU B 406 16.484 -19.954 18.858 1.00 0.00 H new ATOM 0 HD22 LEU B 406 15.305 -20.543 20.054 1.00 0.00 H new ATOM 0 HD23 LEU B 406 15.979 -21.661 18.845 1.00 0.00 H new ATOM 298 N PRO B 407 14.427 -22.206 15.474 1.00 0.00 N ATOM 299 CA PRO B 407 15.455 -22.260 14.448 1.00 0.00 C ATOM 300 C PRO B 407 16.586 -21.276 14.753 1.00 0.00 C ATOM 301 O PRO B 407 16.333 -20.124 15.104 1.00 0.00 O ATOM 302 CB PRO B 407 14.730 -21.949 13.149 1.00 0.00 C ATOM 303 CG PRO B 407 13.426 -21.279 13.549 1.00 0.00 C ATOM 304 CD PRO B 407 13.221 -21.509 15.037 1.00 0.00 C ATOM 0 HA PRO B 407 15.944 -23.233 14.392 1.00 0.00 H new ATOM 0 HB2 PRO B 407 15.328 -21.293 12.516 1.00 0.00 H new ATOM 0 HB3 PRO B 407 14.543 -22.859 12.579 1.00 0.00 H new ATOM 0 HG2 PRO B 407 13.462 -20.212 13.329 1.00 0.00 H new ATOM 0 HG3 PRO B 407 12.594 -21.694 12.980 1.00 0.00 H new ATOM 0 HD2 PRO B 407 13.093 -20.566 15.569 1.00 0.00 H new ATOM 0 HD3 PRO B 407 12.328 -22.105 15.226 1.00 0.00 H new ATOM 312 N PRO B 408 17.841 -21.778 14.603 1.00 0.00 N ATOM 313 CA PRO B 408 19.011 -20.955 14.857 1.00 0.00 C ATOM 314 C PRO B 408 19.237 -19.957 13.720 1.00 0.00 C ATOM 315 O PRO B 408 18.993 -20.270 12.556 1.00 0.00 O ATOM 316 CB PRO B 408 20.157 -21.940 15.019 1.00 0.00 C ATOM 317 CG PRO B 408 19.680 -23.241 14.392 1.00 0.00 C ATOM 318 CD PRO B 408 18.178 -23.136 14.189 1.00 0.00 C ATOM 0 HA PRO B 408 18.905 -20.337 15.749 1.00 0.00 H new ATOM 0 HB2 PRO B 408 21.058 -21.576 14.525 1.00 0.00 H new ATOM 0 HB3 PRO B 408 20.405 -22.081 16.071 1.00 0.00 H new ATOM 0 HG2 PRO B 408 20.183 -23.413 13.440 1.00 0.00 H new ATOM 0 HG3 PRO B 408 19.920 -24.086 15.037 1.00 0.00 H new ATOM 0 HD2 PRO B 408 17.906 -23.311 13.148 1.00 0.00 H new ATOM 0 HD3 PRO B 408 17.645 -23.876 14.787 1.00 0.00 H new ATOM 326 N GLY B 409 19.702 -18.774 14.097 1.00 0.00 N ATOM 327 CA GLY B 409 19.964 -17.728 13.123 1.00 0.00 C ATOM 328 C GLY B 409 18.709 -16.892 12.866 1.00 0.00 C ATOM 329 O GLY B 409 18.797 -15.768 12.375 1.00 0.00 O ATOM 0 H GLY B 409 19.904 -18.517 15.063 1.00 0.00 H new ATOM 0 HA2 GLY B 409 20.767 -17.084 13.482 1.00 0.00 H new ATOM 0 HA3 GLY B 409 20.306 -18.173 12.189 1.00 0.00 H new ATOM 333 N PHE B 410 17.568 -17.473 13.208 1.00 0.00 N ATOM 334 CA PHE B 410 16.297 -16.796 13.021 1.00 0.00 C ATOM 335 C PHE B 410 16.425 -15.299 13.309 1.00 0.00 C ATOM 336 O PHE B 410 17.236 -14.890 14.140 1.00 0.00 O ATOM 337 CB PHE B 410 15.311 -17.412 14.015 1.00 0.00 C ATOM 338 CG PHE B 410 14.107 -16.521 14.331 1.00 0.00 C ATOM 339 CD1 PHE B 410 13.065 -16.452 13.460 1.00 0.00 C ATOM 340 CD2 PHE B 410 14.080 -15.798 15.482 1.00 0.00 C ATOM 341 CE1 PHE B 410 11.948 -15.626 13.753 1.00 0.00 C ATOM 342 CE2 PHE B 410 12.963 -14.971 15.775 1.00 0.00 C ATOM 343 CZ PHE B 410 11.921 -14.903 14.905 1.00 0.00 C ATOM 0 H PHE B 410 17.498 -18.406 13.614 1.00 0.00 H new ATOM 0 HA PHE B 410 15.962 -16.913 11.990 1.00 0.00 H new ATOM 0 HB2 PHE B 410 14.953 -18.361 13.615 1.00 0.00 H new ATOM 0 HB3 PHE B 410 15.838 -17.636 14.943 1.00 0.00 H new ATOM 0 HD1 PHE B 410 13.087 -17.026 12.545 1.00 0.00 H new ATOM 0 HD2 PHE B 410 14.908 -15.852 16.174 1.00 0.00 H new ATOM 0 HE1 PHE B 410 11.120 -15.572 13.062 1.00 0.00 H new ATOM 0 HE2 PHE B 410 12.942 -14.396 16.689 1.00 0.00 H new ATOM 0 HZ PHE B 410 11.071 -14.275 15.128 1.00 0.00 H new ATOM 353 N MET B 411 15.614 -14.521 12.607 1.00 0.00 N ATOM 354 CA MET B 411 15.626 -13.079 12.778 1.00 0.00 C ATOM 355 C MET B 411 14.376 -12.604 13.522 1.00 0.00 C ATOM 356 O MET B 411 14.455 -12.207 14.683 1.00 0.00 O ATOM 357 CB MET B 411 15.692 -12.402 11.407 1.00 0.00 C ATOM 358 CG MET B 411 16.937 -12.846 10.636 1.00 0.00 C ATOM 359 SD MET B 411 17.189 -11.786 9.222 1.00 0.00 S ATOM 360 CE MET B 411 17.423 -13.016 7.950 1.00 0.00 C ATOM 0 H MET B 411 14.944 -14.863 11.918 1.00 0.00 H new ATOM 0 HA MET B 411 16.502 -12.810 13.369 1.00 0.00 H new ATOM 0 HB2 MET B 411 14.798 -12.646 10.833 1.00 0.00 H new ATOM 0 HB3 MET B 411 15.704 -11.319 11.532 1.00 0.00 H new ATOM 0 HG2 MET B 411 17.810 -12.811 11.288 1.00 0.00 H new ATOM 0 HG3 MET B 411 16.824 -13.880 10.310 1.00 0.00 H new ATOM 0 HE1 MET B 411 16.915 -12.699 7.039 1.00 0.00 H new ATOM 0 HE2 MET B 411 18.488 -13.134 7.750 1.00 0.00 H new ATOM 0 HE3 MET B 411 17.009 -13.968 8.283 1.00 0.00 H new ATOM 370 N PHE B 412 13.253 -12.661 12.822 1.00 0.00 N ATOM 371 CA PHE B 412 11.988 -12.241 13.402 1.00 0.00 C ATOM 372 C PHE B 412 10.808 -12.846 12.639 1.00 0.00 C ATOM 373 O PHE B 412 11.000 -13.584 11.674 1.00 0.00 O ATOM 374 CB PHE B 412 11.928 -10.717 13.287 1.00 0.00 C ATOM 375 CG PHE B 412 12.321 -10.181 11.908 1.00 0.00 C ATOM 376 CD1 PHE B 412 11.395 -10.118 10.914 1.00 0.00 C ATOM 377 CD2 PHE B 412 13.596 -9.768 11.677 1.00 0.00 C ATOM 378 CE1 PHE B 412 11.759 -9.621 9.635 1.00 0.00 C ATOM 379 CE2 PHE B 412 13.960 -9.271 10.398 1.00 0.00 C ATOM 380 CZ PHE B 412 13.034 -9.208 9.404 1.00 0.00 C ATOM 0 H PHE B 412 13.192 -12.991 11.859 1.00 0.00 H new ATOM 0 HA PHE B 412 11.924 -12.573 14.438 1.00 0.00 H new ATOM 0 HB2 PHE B 412 10.916 -10.385 13.520 1.00 0.00 H new ATOM 0 HB3 PHE B 412 12.587 -10.280 14.037 1.00 0.00 H new ATOM 0 HD1 PHE B 412 10.383 -10.446 11.098 1.00 0.00 H new ATOM 0 HD2 PHE B 412 14.331 -9.818 12.466 1.00 0.00 H new ATOM 0 HE1 PHE B 412 11.024 -9.571 8.846 1.00 0.00 H new ATOM 0 HE2 PHE B 412 14.972 -8.943 10.214 1.00 0.00 H new ATOM 0 HZ PHE B 412 13.311 -8.830 8.431 1.00 0.00 H new ATOM 390 N LYS B 413 9.612 -12.510 13.100 1.00 0.00 N ATOM 391 CA LYS B 413 8.400 -13.011 12.474 1.00 0.00 C ATOM 392 C LYS B 413 7.841 -11.944 11.531 1.00 0.00 C ATOM 393 O LYS B 413 7.915 -10.751 11.823 1.00 0.00 O ATOM 394 CB LYS B 413 7.402 -13.478 13.535 1.00 0.00 C ATOM 395 CG LYS B 413 6.420 -14.497 12.953 1.00 0.00 C ATOM 396 CD LYS B 413 4.976 -14.120 13.289 1.00 0.00 C ATOM 397 CE LYS B 413 4.316 -13.381 12.123 1.00 0.00 C ATOM 398 NZ LYS B 413 3.077 -12.707 12.571 1.00 0.00 N ATOM 0 H LYS B 413 9.456 -11.897 13.900 1.00 0.00 H new ATOM 0 HA LYS B 413 8.619 -13.890 11.868 1.00 0.00 H new ATOM 0 HB2 LYS B 413 7.938 -13.922 14.373 1.00 0.00 H new ATOM 0 HB3 LYS B 413 6.853 -12.621 13.926 1.00 0.00 H new ATOM 0 HG2 LYS B 413 6.544 -14.550 11.871 1.00 0.00 H new ATOM 0 HG3 LYS B 413 6.642 -15.488 13.348 1.00 0.00 H new ATOM 0 HD2 LYS B 413 4.407 -15.020 13.523 1.00 0.00 H new ATOM 0 HD3 LYS B 413 4.958 -13.491 14.179 1.00 0.00 H new ATOM 0 HE2 LYS B 413 5.008 -12.646 11.712 1.00 0.00 H new ATOM 0 HE3 LYS B 413 4.085 -14.084 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 413 2.642 -12.210 11.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 413 2.411 -13.415 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 413 3.306 -12.021 13.319 1.00 0.00 H new ATOM 412 N VAL B 414 7.292 -12.411 10.419 1.00 0.00 N ATOM 413 CA VAL B 414 6.722 -11.512 9.430 1.00 0.00 C ATOM 414 C VAL B 414 5.269 -11.910 9.163 1.00 0.00 C ATOM 415 O VAL B 414 4.842 -13.001 9.538 1.00 0.00 O ATOM 416 CB VAL B 414 7.583 -11.510 8.166 1.00 0.00 C ATOM 417 CG1 VAL B 414 9.066 -11.367 8.513 1.00 0.00 C ATOM 418 CG2 VAL B 414 7.334 -12.767 7.331 1.00 0.00 C ATOM 0 H VAL B 414 7.230 -13.401 10.181 1.00 0.00 H new ATOM 0 HA VAL B 414 6.715 -10.488 9.804 1.00 0.00 H new ATOM 0 HB VAL B 414 7.295 -10.647 7.566 1.00 0.00 H new ATOM 0 HG11 VAL B 414 9.656 -11.368 7.596 1.00 0.00 H new ATOM 0 HG12 VAL B 414 9.226 -10.430 9.046 1.00 0.00 H new ATOM 0 HG13 VAL B 414 9.374 -12.201 9.144 1.00 0.00 H new ATOM 0 HG21 VAL B 414 7.959 -12.740 6.438 1.00 0.00 H new ATOM 0 HG22 VAL B 414 7.581 -13.650 7.920 1.00 0.00 H new ATOM 0 HG23 VAL B 414 6.285 -12.808 7.039 1.00 0.00 H new ATOM 428 N GLN B 415 4.549 -11.005 8.517 1.00 0.00 N ATOM 429 CA GLN B 415 3.154 -11.248 8.196 1.00 0.00 C ATOM 430 C GLN B 415 2.875 -10.887 6.735 1.00 0.00 C ATOM 431 O GLN B 415 3.127 -9.760 6.312 1.00 0.00 O ATOM 432 CB GLN B 415 2.230 -10.473 9.138 1.00 0.00 C ATOM 433 CG GLN B 415 0.770 -10.594 8.697 1.00 0.00 C ATOM 434 CD GLN B 415 0.042 -11.672 9.502 1.00 0.00 C ATOM 435 OE1 GLN B 415 -0.436 -12.669 8.763 1.00 0.00 O flip ATOM 436 NE2 GLN B 415 -0.078 -11.604 10.714 1.00 0.00 N flip ATOM 0 H GLN B 415 4.906 -10.101 8.207 1.00 0.00 H new ATOM 0 HA GLN B 415 2.950 -12.310 8.334 1.00 0.00 H new ATOM 0 HB2 GLN B 415 2.339 -10.853 10.154 1.00 0.00 H new ATOM 0 HB3 GLN B 415 2.522 -9.423 9.157 1.00 0.00 H new ATOM 0 HG2 GLN B 415 0.267 -9.636 8.827 1.00 0.00 H new ATOM 0 HG3 GLN B 415 0.726 -10.836 7.635 1.00 0.00 H new ATOM 0 HE21 GLN B 415 0.313 -10.810 11.221 1.00 0.00 H new ATOM 0 HE22 GLN B 415 -0.569 -12.341 11.220 1.00 0.00 H new ATOM 445 N ALA B 416 2.358 -11.864 6.005 1.00 0.00 N ATOM 446 CA ALA B 416 2.042 -11.663 4.601 1.00 0.00 C ATOM 447 C ALA B 416 0.813 -10.760 4.484 1.00 0.00 C ATOM 448 O ALA B 416 -0.101 -10.840 5.303 1.00 0.00 O ATOM 449 CB ALA B 416 1.835 -13.020 3.925 1.00 0.00 C ATOM 0 H ALA B 416 2.150 -12.798 6.359 1.00 0.00 H new ATOM 0 HA ALA B 416 2.866 -11.166 4.089 1.00 0.00 H new ATOM 0 HB1 ALA B 416 1.598 -12.869 2.872 1.00 0.00 H new ATOM 0 HB2 ALA B 416 2.746 -13.612 4.011 1.00 0.00 H new ATOM 0 HB3 ALA B 416 1.013 -13.547 4.410 1.00 0.00 H new ATOM 455 N GLN B 417 0.831 -9.921 3.458 1.00 0.00 N ATOM 456 CA GLN B 417 -0.271 -9.003 3.223 1.00 0.00 C ATOM 457 C GLN B 417 -0.960 -9.331 1.896 1.00 0.00 C ATOM 458 O GLN B 417 -1.975 -8.726 1.554 1.00 0.00 O ATOM 459 CB GLN B 417 0.210 -7.551 3.247 1.00 0.00 C ATOM 460 CG GLN B 417 1.331 -7.362 4.271 1.00 0.00 C ATOM 461 CD GLN B 417 1.465 -5.891 4.672 1.00 0.00 C ATOM 462 OE1 GLN B 417 2.689 -5.397 4.515 1.00 0.00 O flip ATOM 463 NE2 GLN B 417 0.519 -5.248 5.095 1.00 0.00 N flip ATOM 0 H GLN B 417 1.591 -9.858 2.781 1.00 0.00 H new ATOM 0 HA GLN B 417 -0.997 -9.123 4.027 1.00 0.00 H new ATOM 0 HB2 GLN B 417 0.565 -7.265 2.257 1.00 0.00 H new ATOM 0 HB3 GLN B 417 -0.624 -6.892 3.489 1.00 0.00 H new ATOM 0 HG2 GLN B 417 1.127 -7.966 5.155 1.00 0.00 H new ATOM 0 HG3 GLN B 417 2.273 -7.716 3.853 1.00 0.00 H new ATOM 0 HE21 GLN B 417 -0.396 -5.689 5.191 1.00 0.00 H new ATOM 0 HE22 GLN B 417 0.642 -4.269 5.353 1.00 0.00 H new ATOM 472 N HIS B 418 -0.381 -10.287 1.185 1.00 0.00 N ATOM 473 CA HIS B 418 -0.926 -10.702 -0.095 1.00 0.00 C ATOM 474 C HIS B 418 -0.864 -12.227 -0.210 1.00 0.00 C ATOM 475 O HIS B 418 -0.238 -12.890 0.616 1.00 0.00 O ATOM 476 CB HIS B 418 -0.212 -9.992 -1.247 1.00 0.00 C ATOM 477 CG HIS B 418 -0.422 -8.496 -1.270 1.00 0.00 C ATOM 478 ND1 HIS B 418 -1.361 -7.884 -2.081 1.00 0.00 N ATOM 479 CD2 HIS B 418 0.195 -7.499 -0.574 1.00 0.00 C ATOM 480 CE1 HIS B 418 -1.303 -6.576 -1.875 1.00 0.00 C ATOM 481 NE2 HIS B 418 -0.338 -6.340 -0.941 1.00 0.00 N ATOM 0 H HIS B 418 0.461 -10.786 1.472 1.00 0.00 H new ATOM 0 HA HIS B 418 -1.974 -10.409 -0.159 1.00 0.00 H new ATOM 0 HB2 HIS B 418 0.856 -10.198 -1.181 1.00 0.00 H new ATOM 0 HB3 HIS B 418 -0.560 -10.412 -2.191 1.00 0.00 H new ATOM 0 HD1 HIS B 418 -1.991 -8.359 -2.728 1.00 0.00 H new ATOM 0 HD2 HIS B 418 0.983 -7.630 0.152 1.00 0.00 H new ATOM 0 HE1 HIS B 418 -1.913 -5.829 -2.361 1.00 0.00 H new ATOM 489 N ASP B 419 -1.522 -12.738 -1.240 1.00 0.00 N ATOM 490 CA ASP B 419 -1.549 -14.172 -1.473 1.00 0.00 C ATOM 491 C ASP B 419 -0.744 -14.495 -2.733 1.00 0.00 C ATOM 492 O ASP B 419 -1.199 -14.239 -3.847 1.00 0.00 O ATOM 493 CB ASP B 419 -2.981 -14.668 -1.687 1.00 0.00 C ATOM 494 CG ASP B 419 -3.733 -13.997 -2.838 1.00 0.00 C ATOM 495 OD1 ASP B 419 -3.209 -12.980 -3.342 1.00 0.00 O ATOM 496 OD2 ASP B 419 -4.815 -14.516 -3.188 1.00 0.00 O ATOM 0 H ASP B 419 -2.040 -12.185 -1.922 1.00 0.00 H new ATOM 0 HA ASP B 419 -1.123 -14.664 -0.598 1.00 0.00 H new ATOM 0 HB2 ASP B 419 -2.954 -15.742 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP B 419 -3.544 -14.514 -0.766 1.00 0.00 H new ATOM 501 N TYR B 420 0.438 -15.052 -2.515 1.00 0.00 N ATOM 502 CA TYR B 420 1.311 -15.411 -3.620 1.00 0.00 C ATOM 503 C TYR B 420 1.524 -16.925 -3.680 1.00 0.00 C ATOM 504 O TYR B 420 1.975 -17.531 -2.709 1.00 0.00 O ATOM 505 CB TYR B 420 2.652 -14.731 -3.336 1.00 0.00 C ATOM 506 CG TYR B 420 3.861 -15.479 -3.901 1.00 0.00 C ATOM 507 CD1 TYR B 420 4.037 -15.574 -5.267 1.00 0.00 C ATOM 508 CD2 TYR B 420 4.776 -16.057 -3.046 1.00 0.00 C ATOM 509 CE1 TYR B 420 5.175 -16.278 -5.799 1.00 0.00 C ATOM 510 CE2 TYR B 420 5.914 -16.761 -3.578 1.00 0.00 C ATOM 511 CZ TYR B 420 6.057 -16.837 -4.928 1.00 0.00 C ATOM 512 OH TYR B 420 7.132 -17.501 -5.430 1.00 0.00 O ATOM 0 H TYR B 420 0.812 -15.264 -1.590 1.00 0.00 H new ATOM 0 HA TYR B 420 0.876 -15.099 -4.570 1.00 0.00 H new ATOM 0 HB2 TYR B 420 2.633 -13.724 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR B 420 2.774 -14.627 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR B 420 3.321 -15.120 -5.937 1.00 0.00 H new ATOM 0 HD2 TYR B 420 4.639 -15.982 -1.977 1.00 0.00 H new ATOM 0 HE1 TYR B 420 5.325 -16.360 -6.865 1.00 0.00 H new ATOM 0 HE2 TYR B 420 6.638 -17.218 -2.919 1.00 0.00 H new ATOM 0 HH TYR B 420 7.902 -16.896 -5.466 1.00 0.00 H new ATOM 522 N THR B 421 1.189 -17.492 -4.829 1.00 0.00 N ATOM 523 CA THR B 421 1.338 -18.924 -5.029 1.00 0.00 C ATOM 524 C THR B 421 2.712 -19.238 -5.625 1.00 0.00 C ATOM 525 O THR B 421 2.997 -18.873 -6.764 1.00 0.00 O ATOM 526 CB THR B 421 0.174 -19.404 -5.899 1.00 0.00 C ATOM 527 OG1 THR B 421 -0.910 -19.538 -4.984 1.00 0.00 O ATOM 528 CG2 THR B 421 0.389 -20.821 -6.434 1.00 0.00 C ATOM 0 H THR B 421 0.815 -16.986 -5.632 1.00 0.00 H new ATOM 0 HA THR B 421 1.298 -19.462 -4.082 1.00 0.00 H new ATOM 0 HB THR B 421 0.038 -18.718 -6.735 1.00 0.00 H new ATOM 0 HG1 THR B 421 -1.708 -19.844 -5.464 1.00 0.00 H new ATOM 0 HG21 THR B 421 -0.465 -21.113 -7.045 1.00 0.00 H new ATOM 0 HG22 THR B 421 1.294 -20.847 -7.040 1.00 0.00 H new ATOM 0 HG23 THR B 421 0.491 -21.514 -5.599 1.00 0.00 H new ATOM 536 N ALA B 422 3.526 -19.913 -4.827 1.00 0.00 N ATOM 537 CA ALA B 422 4.863 -20.281 -5.261 1.00 0.00 C ATOM 538 C ALA B 422 4.907 -21.784 -5.545 1.00 0.00 C ATOM 539 O ALA B 422 4.700 -22.596 -4.645 1.00 0.00 O ATOM 540 CB ALA B 422 5.880 -19.859 -4.198 1.00 0.00 C ATOM 0 H ALA B 422 3.286 -20.215 -3.883 1.00 0.00 H new ATOM 0 HA ALA B 422 5.122 -19.763 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA B 422 6.883 -20.135 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA B 422 5.830 -18.780 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA B 422 5.653 -20.361 -3.258 1.00 0.00 H new ATOM 546 N THR B 423 5.178 -22.109 -6.801 1.00 0.00 N ATOM 547 CA THR B 423 5.251 -23.500 -7.215 1.00 0.00 C ATOM 548 C THR B 423 6.662 -23.839 -7.699 1.00 0.00 C ATOM 549 O THR B 423 6.978 -23.665 -8.875 1.00 0.00 O ATOM 550 CB THR B 423 4.173 -23.735 -8.274 1.00 0.00 C ATOM 551 OG1 THR B 423 4.386 -22.694 -9.224 1.00 0.00 O ATOM 552 CG2 THR B 423 2.762 -23.471 -7.743 1.00 0.00 C ATOM 0 H THR B 423 5.350 -21.433 -7.545 1.00 0.00 H new ATOM 0 HA THR B 423 5.058 -24.172 -6.379 1.00 0.00 H new ATOM 0 HB THR B 423 4.239 -24.761 -8.636 1.00 0.00 H new ATOM 0 HG1 THR B 423 5.324 -22.697 -9.508 1.00 0.00 H new ATOM 0 HG21 THR B 423 2.035 -23.653 -8.535 1.00 0.00 H new ATOM 0 HG22 THR B 423 2.559 -24.137 -6.904 1.00 0.00 H new ATOM 0 HG23 THR B 423 2.686 -22.435 -7.411 1.00 0.00 H new ATOM 560 N ASP B 424 7.474 -24.317 -6.767 1.00 0.00 N ATOM 561 CA ASP B 424 8.845 -24.681 -7.084 1.00 0.00 C ATOM 562 C ASP B 424 9.246 -25.905 -6.258 1.00 0.00 C ATOM 563 O ASP B 424 8.416 -26.490 -5.564 1.00 0.00 O ATOM 564 CB ASP B 424 9.810 -23.543 -6.743 1.00 0.00 C ATOM 565 CG ASP B 424 11.000 -23.399 -7.694 1.00 0.00 C ATOM 566 OD1 ASP B 424 10.760 -23.470 -8.918 1.00 0.00 O ATOM 567 OD2 ASP B 424 12.122 -23.219 -7.174 1.00 0.00 O ATOM 0 H ASP B 424 7.209 -24.461 -5.793 1.00 0.00 H new ATOM 0 HA ASP B 424 8.900 -24.892 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP B 424 9.254 -22.605 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP B 424 10.188 -23.698 -5.732 1.00 0.00 H new ATOM 572 N THR B 425 10.520 -26.256 -6.360 1.00 0.00 N ATOM 573 CA THR B 425 11.042 -27.399 -5.631 1.00 0.00 C ATOM 574 C THR B 425 11.678 -26.947 -4.315 1.00 0.00 C ATOM 575 O THR B 425 12.344 -27.732 -3.642 1.00 0.00 O ATOM 576 CB THR B 425 12.012 -28.143 -6.551 1.00 0.00 C ATOM 577 OG1 THR B 425 12.373 -29.304 -5.808 1.00 0.00 O ATOM 578 CG2 THR B 425 13.333 -27.394 -6.738 1.00 0.00 C ATOM 0 H THR B 425 11.206 -25.769 -6.937 1.00 0.00 H new ATOM 0 HA THR B 425 10.245 -28.087 -5.350 1.00 0.00 H new ATOM 0 HB THR B 425 11.543 -28.299 -7.523 1.00 0.00 H new ATOM 0 HG1 THR B 425 12.461 -29.071 -4.860 1.00 0.00 H new ATOM 0 HG21 THR B 425 13.985 -27.965 -7.399 1.00 0.00 H new ATOM 0 HG22 THR B 425 13.138 -26.416 -7.177 1.00 0.00 H new ATOM 0 HG23 THR B 425 13.819 -27.267 -5.771 1.00 0.00 H new ATOM 586 N ASP B 426 11.450 -25.684 -3.988 1.00 0.00 N ATOM 587 CA ASP B 426 11.994 -25.118 -2.765 1.00 0.00 C ATOM 588 C ASP B 426 11.551 -23.658 -2.643 1.00 0.00 C ATOM 589 O ASP B 426 12.377 -22.769 -2.446 1.00 0.00 O ATOM 590 CB ASP B 426 13.523 -25.148 -2.777 1.00 0.00 C ATOM 591 CG ASP B 426 14.173 -25.510 -1.440 1.00 0.00 C ATOM 592 OD1 ASP B 426 13.950 -26.655 -0.992 1.00 0.00 O ATOM 593 OD2 ASP B 426 14.880 -24.633 -0.896 1.00 0.00 O ATOM 0 H ASP B 426 10.896 -25.036 -4.548 1.00 0.00 H new ATOM 0 HA ASP B 426 11.628 -25.711 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP B 426 13.851 -25.865 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP B 426 13.888 -24.169 -3.088 1.00 0.00 H new ATOM 598 N GLU B 427 10.247 -23.457 -2.764 1.00 0.00 N ATOM 599 CA GLU B 427 9.683 -22.121 -2.669 1.00 0.00 C ATOM 600 C GLU B 427 8.880 -21.974 -1.375 1.00 0.00 C ATOM 601 O GLU B 427 8.658 -22.953 -0.663 1.00 0.00 O ATOM 602 CB GLU B 427 8.819 -21.802 -3.890 1.00 0.00 C ATOM 603 CG GLU B 427 7.866 -22.958 -4.204 1.00 0.00 C ATOM 604 CD GLU B 427 7.107 -23.398 -2.951 1.00 0.00 C ATOM 605 OE1 GLU B 427 6.476 -22.516 -2.330 1.00 0.00 O ATOM 606 OE2 GLU B 427 7.174 -24.608 -2.642 1.00 0.00 O ATOM 0 H GLU B 427 9.564 -24.197 -2.927 1.00 0.00 H new ATOM 0 HA GLU B 427 10.503 -21.403 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU B 427 8.246 -20.893 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU B 427 9.458 -21.608 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU B 427 7.158 -22.651 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU B 427 8.430 -23.800 -4.607 1.00 0.00 H new ATOM 613 N LEU B 428 8.467 -20.744 -1.108 1.00 0.00 N ATOM 614 CA LEU B 428 7.694 -20.457 0.088 1.00 0.00 C ATOM 615 C LEU B 428 6.363 -19.816 -0.312 1.00 0.00 C ATOM 616 O LEU B 428 6.337 -18.698 -0.825 1.00 0.00 O ATOM 617 CB LEU B 428 8.513 -19.612 1.066 1.00 0.00 C ATOM 618 CG LEU B 428 8.382 -19.982 2.544 1.00 0.00 C ATOM 619 CD1 LEU B 428 6.919 -19.942 2.992 1.00 0.00 C ATOM 620 CD2 LEU B 428 9.032 -21.338 2.830 1.00 0.00 C ATOM 0 H LEU B 428 8.653 -19.934 -1.700 1.00 0.00 H new ATOM 0 HA LEU B 428 7.458 -21.379 0.619 1.00 0.00 H new ATOM 0 HB2 LEU B 428 9.564 -19.684 0.786 1.00 0.00 H new ATOM 0 HB3 LEU B 428 8.222 -18.569 0.946 1.00 0.00 H new ATOM 0 HG LEU B 428 8.919 -19.237 3.131 1.00 0.00 H new ATOM 0 HD11 LEU B 428 6.854 -20.209 4.047 1.00 0.00 H new ATOM 0 HD12 LEU B 428 6.521 -18.938 2.847 1.00 0.00 H new ATOM 0 HD13 LEU B 428 6.338 -20.651 2.402 1.00 0.00 H new ATOM 0 HD21 LEU B 428 8.925 -21.577 3.888 1.00 0.00 H new ATOM 0 HD22 LEU B 428 8.544 -22.108 2.233 1.00 0.00 H new ATOM 0 HD23 LEU B 428 10.090 -21.295 2.573 1.00 0.00 H new ATOM 632 N GLN B 429 5.290 -20.552 -0.063 1.00 0.00 N ATOM 633 CA GLN B 429 3.959 -20.069 -0.389 1.00 0.00 C ATOM 634 C GLN B 429 3.464 -19.106 0.692 1.00 0.00 C ATOM 635 O GLN B 429 3.625 -19.368 1.883 1.00 0.00 O ATOM 636 CB GLN B 429 2.984 -21.233 -0.574 1.00 0.00 C ATOM 637 CG GLN B 429 1.800 -20.822 -1.452 1.00 0.00 C ATOM 638 CD GLN B 429 1.163 -22.042 -2.121 1.00 0.00 C ATOM 639 OE1 GLN B 429 0.060 -22.452 -1.801 1.00 0.00 O ATOM 640 NE2 GLN B 429 1.918 -22.596 -3.065 1.00 0.00 N ATOM 0 H GLN B 429 5.315 -21.479 0.361 1.00 0.00 H new ATOM 0 HA GLN B 429 4.011 -19.528 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN B 429 3.502 -22.078 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN B 429 2.622 -21.567 0.398 1.00 0.00 H new ATOM 0 HG2 GLN B 429 1.056 -20.305 -0.846 1.00 0.00 H new ATOM 0 HG3 GLN B 429 2.135 -20.118 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN B 429 2.833 -22.201 -3.283 1.00 0.00 H new ATOM 0 HE22 GLN B 429 1.582 -23.416 -3.571 1.00 0.00 H new ATOM 649 N LEU B 430 2.871 -18.011 0.238 1.00 0.00 N ATOM 650 CA LEU B 430 2.352 -17.008 1.151 1.00 0.00 C ATOM 651 C LEU B 430 0.885 -16.731 0.816 1.00 0.00 C ATOM 652 O LEU B 430 0.506 -16.704 -0.354 1.00 0.00 O ATOM 653 CB LEU B 430 3.234 -15.758 1.133 1.00 0.00 C ATOM 654 CG LEU B 430 4.498 -15.816 1.992 1.00 0.00 C ATOM 655 CD1 LEU B 430 4.147 -15.890 3.480 1.00 0.00 C ATOM 656 CD2 LEU B 430 5.403 -16.972 1.559 1.00 0.00 C ATOM 0 H LEU B 430 2.739 -17.797 -0.751 1.00 0.00 H new ATOM 0 HA LEU B 430 2.382 -17.375 2.177 1.00 0.00 H new ATOM 0 HB2 LEU B 430 3.528 -15.560 0.102 1.00 0.00 H new ATOM 0 HB3 LEU B 430 2.634 -14.910 1.462 1.00 0.00 H new ATOM 0 HG LEU B 430 5.058 -14.893 1.838 1.00 0.00 H new ATOM 0 HD11 LEU B 430 5.064 -15.930 4.068 1.00 0.00 H new ATOM 0 HD12 LEU B 430 3.573 -15.008 3.763 1.00 0.00 H new ATOM 0 HD13 LEU B 430 3.554 -16.785 3.670 1.00 0.00 H new ATOM 0 HD21 LEU B 430 6.295 -16.991 2.186 1.00 0.00 H new ATOM 0 HD22 LEU B 430 4.865 -17.914 1.665 1.00 0.00 H new ATOM 0 HD23 LEU B 430 5.694 -16.835 0.518 1.00 0.00 H new ATOM 668 N LYS B 431 0.099 -16.531 1.864 1.00 0.00 N ATOM 669 CA LYS B 431 -1.318 -16.256 1.696 1.00 0.00 C ATOM 670 C LYS B 431 -1.679 -14.979 2.457 1.00 0.00 C ATOM 671 O LYS B 431 -1.441 -14.881 3.660 1.00 0.00 O ATOM 672 CB LYS B 431 -2.152 -17.472 2.103 1.00 0.00 C ATOM 673 CG LYS B 431 -1.823 -17.908 3.532 1.00 0.00 C ATOM 674 CD LYS B 431 -1.297 -19.345 3.559 1.00 0.00 C ATOM 675 CE LYS B 431 0.070 -19.441 2.878 1.00 0.00 C ATOM 676 NZ LYS B 431 -0.087 -19.798 1.450 1.00 0.00 N ATOM 0 H LYS B 431 0.417 -16.554 2.833 1.00 0.00 H new ATOM 0 HA LYS B 431 -1.550 -16.078 0.646 1.00 0.00 H new ATOM 0 HB2 LYS B 431 -3.213 -17.232 2.027 1.00 0.00 H new ATOM 0 HB3 LYS B 431 -1.961 -18.295 1.415 1.00 0.00 H new ATOM 0 HG2 LYS B 431 -1.078 -17.236 3.959 1.00 0.00 H new ATOM 0 HG3 LYS B 431 -2.715 -17.832 4.154 1.00 0.00 H new ATOM 0 HD2 LYS B 431 -1.218 -19.688 4.591 1.00 0.00 H new ATOM 0 HD3 LYS B 431 -2.005 -20.005 3.057 1.00 0.00 H new ATOM 0 HE2 LYS B 431 0.594 -18.489 2.966 1.00 0.00 H new ATOM 0 HE3 LYS B 431 0.682 -20.190 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 0.785 -20.248 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 -0.883 -20.459 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 -0.274 -18.938 0.896 1.00 0.00 H new ATOM 690 N ALA B 432 -2.247 -14.032 1.725 1.00 0.00 N ATOM 691 CA ALA B 432 -2.644 -12.766 2.316 1.00 0.00 C ATOM 692 C ALA B 432 -3.035 -12.991 3.778 1.00 0.00 C ATOM 693 O ALA B 432 -4.109 -13.519 4.062 1.00 0.00 O ATOM 694 CB ALA B 432 -3.780 -12.152 1.496 1.00 0.00 C ATOM 0 H ALA B 432 -2.442 -14.116 0.727 1.00 0.00 H new ATOM 0 HA ALA B 432 -1.814 -12.059 2.302 1.00 0.00 H new ATOM 0 HB1 ALA B 432 -4.077 -11.202 1.940 1.00 0.00 H new ATOM 0 HB2 ALA B 432 -3.441 -11.984 0.474 1.00 0.00 H new ATOM 0 HB3 ALA B 432 -4.632 -12.832 1.489 1.00 0.00 H new ATOM 700 N GLY B 433 -2.143 -12.579 4.667 1.00 0.00 N ATOM 701 CA GLY B 433 -2.383 -12.728 6.092 1.00 0.00 C ATOM 702 C GLY B 433 -1.785 -14.035 6.615 1.00 0.00 C ATOM 703 O GLY B 433 -2.460 -14.800 7.303 1.00 0.00 O ATOM 0 H GLY B 433 -1.253 -12.142 4.428 1.00 0.00 H new ATOM 0 HA2 GLY B 433 -1.947 -11.885 6.628 1.00 0.00 H new ATOM 0 HA3 GLY B 433 -3.455 -12.711 6.288 1.00 0.00 H new ATOM 707 N ASP B 434 -0.525 -14.253 6.268 1.00 0.00 N ATOM 708 CA ASP B 434 0.172 -15.456 6.692 1.00 0.00 C ATOM 709 C ASP B 434 1.259 -15.081 7.701 1.00 0.00 C ATOM 710 O ASP B 434 1.552 -13.902 7.895 1.00 0.00 O ATOM 711 CB ASP B 434 0.845 -16.150 5.507 1.00 0.00 C ATOM 712 CG ASP B 434 1.050 -17.657 5.671 1.00 0.00 C ATOM 713 OD1 ASP B 434 0.023 -18.360 5.790 1.00 0.00 O ATOM 714 OD2 ASP B 434 2.229 -18.072 5.673 1.00 0.00 O ATOM 0 H ASP B 434 0.032 -13.617 5.698 1.00 0.00 H new ATOM 0 HA ASP B 434 -0.560 -16.131 7.136 1.00 0.00 H new ATOM 0 HB2 ASP B 434 0.244 -15.975 4.614 1.00 0.00 H new ATOM 0 HB3 ASP B 434 1.815 -15.683 5.335 1.00 0.00 H new ATOM 719 N VAL B 435 1.829 -16.107 8.317 1.00 0.00 N ATOM 720 CA VAL B 435 2.878 -15.900 9.301 1.00 0.00 C ATOM 721 C VAL B 435 4.153 -16.606 8.836 1.00 0.00 C ATOM 722 O VAL B 435 4.162 -17.823 8.653 1.00 0.00 O ATOM 723 CB VAL B 435 2.403 -16.368 10.678 1.00 0.00 C ATOM 724 CG1 VAL B 435 1.534 -15.303 11.349 1.00 0.00 C ATOM 725 CG2 VAL B 435 1.659 -17.701 10.577 1.00 0.00 C ATOM 0 H VAL B 435 1.584 -17.084 8.154 1.00 0.00 H new ATOM 0 HA VAL B 435 3.110 -14.839 9.396 1.00 0.00 H new ATOM 0 HB VAL B 435 3.283 -16.523 11.302 1.00 0.00 H new ATOM 0 HG11 VAL B 435 1.210 -15.661 12.326 1.00 0.00 H new ATOM 0 HG12 VAL B 435 2.111 -14.387 11.471 1.00 0.00 H new ATOM 0 HG13 VAL B 435 0.661 -15.102 10.728 1.00 0.00 H new ATOM 0 HG21 VAL B 435 1.332 -18.011 11.569 1.00 0.00 H new ATOM 0 HG22 VAL B 435 0.791 -17.585 9.929 1.00 0.00 H new ATOM 0 HG23 VAL B 435 2.324 -18.458 10.161 1.00 0.00 H new ATOM 735 N VAL B 436 5.200 -15.813 8.658 1.00 0.00 N ATOM 736 CA VAL B 436 6.478 -16.347 8.219 1.00 0.00 C ATOM 737 C VAL B 436 7.585 -15.826 9.137 1.00 0.00 C ATOM 738 O VAL B 436 7.486 -14.722 9.670 1.00 0.00 O ATOM 739 CB VAL B 436 6.710 -16.004 6.746 1.00 0.00 C ATOM 740 CG1 VAL B 436 8.180 -16.192 6.365 1.00 0.00 C ATOM 741 CG2 VAL B 436 5.798 -16.833 5.840 1.00 0.00 C ATOM 0 H VAL B 436 5.189 -14.804 8.810 1.00 0.00 H new ATOM 0 HA VAL B 436 6.483 -17.435 8.289 1.00 0.00 H new ATOM 0 HB VAL B 436 6.458 -14.953 6.603 1.00 0.00 H new ATOM 0 HG11 VAL B 436 8.318 -15.942 5.313 1.00 0.00 H new ATOM 0 HG12 VAL B 436 8.801 -15.539 6.978 1.00 0.00 H new ATOM 0 HG13 VAL B 436 8.469 -17.230 6.532 1.00 0.00 H new ATOM 0 HG21 VAL B 436 5.983 -16.570 4.799 1.00 0.00 H new ATOM 0 HG22 VAL B 436 6.004 -17.893 5.988 1.00 0.00 H new ATOM 0 HG23 VAL B 436 4.756 -16.628 6.087 1.00 0.00 H new ATOM 751 N LEU B 437 8.615 -16.645 9.293 1.00 0.00 N ATOM 752 CA LEU B 437 9.740 -16.281 10.137 1.00 0.00 C ATOM 753 C LEU B 437 10.984 -16.088 9.268 1.00 0.00 C ATOM 754 O LEU B 437 11.338 -16.966 8.482 1.00 0.00 O ATOM 755 CB LEU B 437 9.925 -17.308 11.256 1.00 0.00 C ATOM 756 CG LEU B 437 9.001 -18.527 11.206 1.00 0.00 C ATOM 757 CD1 LEU B 437 9.490 -19.624 12.154 1.00 0.00 C ATOM 758 CD2 LEU B 437 7.552 -18.129 11.490 1.00 0.00 C ATOM 0 H LEU B 437 8.694 -17.560 8.849 1.00 0.00 H new ATOM 0 HA LEU B 437 9.549 -15.331 10.636 1.00 0.00 H new ATOM 0 HB2 LEU B 437 10.957 -17.658 11.234 1.00 0.00 H new ATOM 0 HB3 LEU B 437 9.779 -16.805 12.212 1.00 0.00 H new ATOM 0 HG LEU B 437 9.030 -18.936 10.196 1.00 0.00 H new ATOM 0 HD11 LEU B 437 8.816 -20.479 12.100 1.00 0.00 H new ATOM 0 HD12 LEU B 437 10.494 -19.934 11.864 1.00 0.00 H new ATOM 0 HD13 LEU B 437 9.509 -19.241 13.174 1.00 0.00 H new ATOM 0 HD21 LEU B 437 6.917 -19.014 11.448 1.00 0.00 H new ATOM 0 HD22 LEU B 437 7.485 -17.681 12.481 1.00 0.00 H new ATOM 0 HD23 LEU B 437 7.220 -17.408 10.743 1.00 0.00 H new ATOM 770 N VAL B 438 11.613 -14.934 9.437 1.00 0.00 N ATOM 771 CA VAL B 438 12.810 -14.615 8.678 1.00 0.00 C ATOM 772 C VAL B 438 14.006 -15.346 9.290 1.00 0.00 C ATOM 773 O VAL B 438 14.380 -15.085 10.432 1.00 0.00 O ATOM 774 CB VAL B 438 13.003 -13.099 8.618 1.00 0.00 C ATOM 775 CG1 VAL B 438 14.366 -12.743 8.021 1.00 0.00 C ATOM 776 CG2 VAL B 438 11.870 -12.433 7.834 1.00 0.00 C ATOM 0 H VAL B 438 11.316 -14.208 10.089 1.00 0.00 H new ATOM 0 HA VAL B 438 12.712 -14.958 7.648 1.00 0.00 H new ATOM 0 HB VAL B 438 12.974 -12.717 9.638 1.00 0.00 H new ATOM 0 HG11 VAL B 438 14.478 -11.659 7.990 1.00 0.00 H new ATOM 0 HG12 VAL B 438 15.156 -13.172 8.637 1.00 0.00 H new ATOM 0 HG13 VAL B 438 14.436 -13.144 7.010 1.00 0.00 H new ATOM 0 HG21 VAL B 438 12.031 -11.355 7.806 1.00 0.00 H new ATOM 0 HG22 VAL B 438 11.853 -12.824 6.817 1.00 0.00 H new ATOM 0 HG23 VAL B 438 10.918 -12.645 8.320 1.00 0.00 H new ATOM 786 N ILE B 439 14.574 -16.248 8.502 1.00 0.00 N ATOM 787 CA ILE B 439 15.721 -17.018 8.952 1.00 0.00 C ATOM 788 C ILE B 439 16.872 -16.838 7.960 1.00 0.00 C ATOM 789 O ILE B 439 16.644 -16.559 6.784 1.00 0.00 O ATOM 790 CB ILE B 439 15.329 -18.479 9.180 1.00 0.00 C ATOM 791 CG1 ILE B 439 15.003 -19.173 7.856 1.00 0.00 C ATOM 792 CG2 ILE B 439 14.178 -18.588 10.182 1.00 0.00 C ATOM 793 CD1 ILE B 439 13.501 -19.127 7.567 1.00 0.00 C ATOM 0 H ILE B 439 14.261 -16.462 7.555 1.00 0.00 H new ATOM 0 HA ILE B 439 16.071 -16.651 9.917 1.00 0.00 H new ATOM 0 HB ILE B 439 16.184 -18.998 9.613 1.00 0.00 H new ATOM 0 HG12 ILE B 439 15.548 -18.690 7.045 1.00 0.00 H new ATOM 0 HG13 ILE B 439 15.338 -20.210 7.893 1.00 0.00 H new ATOM 0 HG21 ILE B 439 13.919 -19.637 10.326 1.00 0.00 H new ATOM 0 HG22 ILE B 439 14.483 -18.155 11.135 1.00 0.00 H new ATOM 0 HG23 ILE B 439 13.311 -18.049 9.800 1.00 0.00 H new ATOM 0 HD11 ILE B 439 13.297 -19.627 6.620 1.00 0.00 H new ATOM 0 HD12 ILE B 439 12.961 -19.632 8.368 1.00 0.00 H new ATOM 0 HD13 ILE B 439 13.174 -18.089 7.507 1.00 0.00 H new ATOM 805 N PRO B 440 18.115 -17.010 8.485 1.00 0.00 N ATOM 806 CA PRO B 440 19.302 -16.869 7.658 1.00 0.00 C ATOM 807 C PRO B 440 19.481 -18.084 6.745 1.00 0.00 C ATOM 808 O PRO B 440 19.679 -19.200 7.223 1.00 0.00 O ATOM 809 CB PRO B 440 20.447 -16.691 8.642 1.00 0.00 C ATOM 810 CG PRO B 440 19.932 -17.201 9.978 1.00 0.00 C ATOM 811 CD PRO B 440 18.422 -17.341 9.873 1.00 0.00 C ATOM 0 HA PRO B 440 19.243 -16.019 6.978 1.00 0.00 H new ATOM 0 HB2 PRO B 440 21.326 -17.251 8.323 1.00 0.00 H new ATOM 0 HB3 PRO B 440 20.743 -15.644 8.711 1.00 0.00 H new ATOM 0 HG2 PRO B 440 20.388 -18.160 10.222 1.00 0.00 H new ATOM 0 HG3 PRO B 440 20.197 -16.510 10.778 1.00 0.00 H new ATOM 0 HD2 PRO B 440 18.100 -18.353 10.119 1.00 0.00 H new ATOM 0 HD3 PRO B 440 17.913 -16.668 10.563 1.00 0.00 H new ATOM 819 N PHE B 441 19.406 -17.825 5.448 1.00 0.00 N ATOM 820 CA PHE B 441 19.557 -18.883 4.464 1.00 0.00 C ATOM 821 C PHE B 441 20.887 -19.618 4.649 1.00 0.00 C ATOM 822 O PHE B 441 21.678 -19.267 5.522 1.00 0.00 O ATOM 823 CB PHE B 441 19.543 -18.218 3.086 1.00 0.00 C ATOM 824 CG PHE B 441 20.212 -16.843 3.052 1.00 0.00 C ATOM 825 CD1 PHE B 441 21.247 -16.569 3.891 1.00 0.00 C ATOM 826 CD2 PHE B 441 19.772 -15.894 2.183 1.00 0.00 C ATOM 827 CE1 PHE B 441 21.868 -15.292 3.860 1.00 0.00 C ATOM 828 CE2 PHE B 441 20.393 -14.617 2.152 1.00 0.00 C ATOM 829 CZ PHE B 441 21.427 -14.343 2.991 1.00 0.00 C ATOM 0 H PHE B 441 19.243 -16.898 5.056 1.00 0.00 H new ATOM 0 HA PHE B 441 18.752 -19.610 4.573 1.00 0.00 H new ATOM 0 HB2 PHE B 441 20.045 -18.872 2.373 1.00 0.00 H new ATOM 0 HB3 PHE B 441 18.510 -18.116 2.753 1.00 0.00 H new ATOM 0 HD1 PHE B 441 21.597 -17.323 4.581 1.00 0.00 H new ATOM 0 HD2 PHE B 441 18.950 -16.111 1.517 1.00 0.00 H new ATOM 0 HE1 PHE B 441 22.690 -15.075 4.526 1.00 0.00 H new ATOM 0 HE2 PHE B 441 20.044 -13.863 1.462 1.00 0.00 H new ATOM 0 HZ PHE B 441 21.898 -13.372 2.968 1.00 0.00 H new ATOM 839 N GLN B 442 21.091 -20.625 3.812 1.00 0.00 N ATOM 840 CA GLN B 442 22.310 -21.413 3.873 1.00 0.00 C ATOM 841 C GLN B 442 23.397 -20.777 3.004 1.00 0.00 C ATOM 842 O GLN B 442 24.461 -21.361 2.808 1.00 0.00 O ATOM 843 CB GLN B 442 22.049 -22.861 3.452 1.00 0.00 C ATOM 844 CG GLN B 442 21.208 -22.917 2.175 1.00 0.00 C ATOM 845 CD GLN B 442 19.758 -23.288 2.490 1.00 0.00 C ATOM 846 OE1 GLN B 442 19.473 -24.240 3.198 1.00 0.00 O ATOM 847 NE2 GLN B 442 18.860 -22.486 1.925 1.00 0.00 N ATOM 0 H GLN B 442 20.433 -20.913 3.088 1.00 0.00 H new ATOM 0 HA GLN B 442 22.659 -21.427 4.906 1.00 0.00 H new ATOM 0 HB2 GLN B 442 22.997 -23.373 3.290 1.00 0.00 H new ATOM 0 HB3 GLN B 442 21.534 -23.390 4.254 1.00 0.00 H new ATOM 0 HG2 GLN B 442 21.239 -21.950 1.672 1.00 0.00 H new ATOM 0 HG3 GLN B 442 21.633 -23.648 1.487 1.00 0.00 H new ATOM 0 HE21 GLN B 442 19.167 -21.706 1.343 1.00 0.00 H new ATOM 0 HE22 GLN B 442 17.864 -22.650 2.073 1.00 0.00 H new ATOM 856 N ASN B 443 23.091 -19.588 2.506 1.00 0.00 N ATOM 857 CA ASN B 443 24.029 -18.866 1.663 1.00 0.00 C ATOM 858 C ASN B 443 23.294 -17.731 0.946 1.00 0.00 C ATOM 859 O ASN B 443 22.070 -17.754 0.831 1.00 0.00 O ATOM 860 CB ASN B 443 24.634 -19.784 0.599 1.00 0.00 C ATOM 861 CG ASN B 443 26.086 -20.130 0.935 1.00 0.00 C ATOM 862 OD1 ASN B 443 26.517 -20.072 2.075 1.00 0.00 O ATOM 863 ND2 ASN B 443 26.813 -20.493 -0.117 1.00 0.00 N ATOM 0 H ASN B 443 22.207 -19.107 2.670 1.00 0.00 H new ATOM 0 HA ASN B 443 24.825 -18.479 2.299 1.00 0.00 H new ATOM 0 HB2 ASN B 443 24.046 -20.699 0.526 1.00 0.00 H new ATOM 0 HB3 ASN B 443 24.588 -19.297 -0.375 1.00 0.00 H new ATOM 0 HD21 ASN B 443 27.794 -20.744 0.003 1.00 0.00 H new ATOM 0 HD22 ASN B 443 26.390 -20.520 -1.045 1.00 0.00 H new ATOM 870 N PRO B 444 24.094 -16.740 0.469 1.00 0.00 N ATOM 871 CA PRO B 444 23.533 -15.598 -0.233 1.00 0.00 C ATOM 872 C PRO B 444 23.106 -15.983 -1.651 1.00 0.00 C ATOM 873 O PRO B 444 22.326 -15.272 -2.283 1.00 0.00 O ATOM 874 CB PRO B 444 24.627 -14.544 -0.207 1.00 0.00 C ATOM 875 CG PRO B 444 25.917 -15.289 0.095 1.00 0.00 C ATOM 876 CD PRO B 444 25.548 -16.679 0.586 1.00 0.00 C ATOM 0 HA PRO B 444 22.624 -15.220 0.236 1.00 0.00 H new ATOM 0 HB2 PRO B 444 24.691 -14.024 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO B 444 24.425 -13.790 0.553 1.00 0.00 H new ATOM 0 HG2 PRO B 444 26.539 -15.352 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO B 444 26.496 -14.758 0.851 1.00 0.00 H new ATOM 0 HD2 PRO B 444 26.026 -17.452 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO B 444 25.869 -16.833 1.616 1.00 0.00 H new ATOM 884 N GLU B 445 23.636 -17.107 -2.110 1.00 0.00 N ATOM 885 CA GLU B 445 23.320 -17.594 -3.442 1.00 0.00 C ATOM 886 C GLU B 445 21.895 -18.148 -3.480 1.00 0.00 C ATOM 887 O GLU B 445 21.293 -18.251 -4.548 1.00 0.00 O ATOM 888 CB GLU B 445 24.331 -18.650 -3.893 1.00 0.00 C ATOM 889 CG GLU B 445 24.310 -19.863 -2.961 1.00 0.00 C ATOM 890 CD GLU B 445 23.846 -21.118 -3.705 1.00 0.00 C ATOM 891 OE1 GLU B 445 22.913 -20.979 -4.525 1.00 0.00 O ATOM 892 OE2 GLU B 445 24.436 -22.187 -3.436 1.00 0.00 O ATOM 0 H GLU B 445 24.282 -17.695 -1.583 1.00 0.00 H new ATOM 0 HA GLU B 445 23.382 -16.758 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU B 445 24.103 -18.965 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU B 445 25.331 -18.217 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU B 445 25.306 -20.027 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU B 445 23.645 -19.668 -2.119 1.00 0.00 H new ATOM 899 N GLU B 446 21.395 -18.490 -2.301 1.00 0.00 N ATOM 900 CA GLU B 446 20.051 -19.029 -2.186 1.00 0.00 C ATOM 901 C GLU B 446 19.036 -17.895 -2.023 1.00 0.00 C ATOM 902 O GLU B 446 17.835 -18.142 -1.925 1.00 0.00 O ATOM 903 CB GLU B 446 19.956 -20.022 -1.026 1.00 0.00 C ATOM 904 CG GLU B 446 20.920 -21.193 -1.226 1.00 0.00 C ATOM 905 CD GLU B 446 20.432 -22.120 -2.341 1.00 0.00 C ATOM 906 OE1 GLU B 446 19.197 -22.207 -2.508 1.00 0.00 O ATOM 907 OE2 GLU B 446 21.307 -22.722 -3.001 1.00 0.00 O ATOM 0 H GLU B 446 21.897 -18.404 -1.417 1.00 0.00 H new ATOM 0 HA GLU B 446 19.817 -19.570 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU B 446 20.184 -19.515 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU B 446 18.935 -20.396 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU B 446 21.912 -20.814 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU B 446 21.014 -21.754 -0.296 1.00 0.00 H new ATOM 914 N GLN B 447 19.557 -16.677 -1.997 1.00 0.00 N ATOM 915 CA GLN B 447 18.711 -15.505 -1.848 1.00 0.00 C ATOM 916 C GLN B 447 18.449 -14.863 -3.212 1.00 0.00 C ATOM 917 O GLN B 447 19.352 -14.769 -4.042 1.00 0.00 O ATOM 918 CB GLN B 447 19.335 -14.499 -0.879 1.00 0.00 C ATOM 919 CG GLN B 447 18.255 -13.689 -0.159 1.00 0.00 C ATOM 920 CD GLN B 447 18.760 -12.286 0.184 1.00 0.00 C ATOM 921 OE1 GLN B 447 19.950 -12.023 0.243 1.00 0.00 O ATOM 922 NE2 GLN B 447 17.791 -11.402 0.407 1.00 0.00 N ATOM 0 H GLN B 447 20.554 -16.476 -2.077 1.00 0.00 H new ATOM 0 HA GLN B 447 17.756 -15.821 -1.428 1.00 0.00 H new ATOM 0 HB2 GLN B 447 19.948 -15.025 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN B 447 19.997 -13.826 -1.424 1.00 0.00 H new ATOM 0 HG2 GLN B 447 17.369 -13.616 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN B 447 17.956 -14.205 0.753 1.00 0.00 H new ATOM 0 HE21 GLN B 447 16.814 -11.688 0.341 1.00 0.00 H new ATOM 0 HE22 GLN B 447 18.025 -10.438 0.644 1.00 0.00 H new ATOM 931 N ASP B 448 17.209 -14.437 -3.401 1.00 0.00 N ATOM 932 CA ASP B 448 16.817 -13.805 -4.649 1.00 0.00 C ATOM 933 C ASP B 448 16.591 -12.311 -4.411 1.00 0.00 C ATOM 934 O ASP B 448 16.337 -11.890 -3.284 1.00 0.00 O ATOM 935 CB ASP B 448 15.512 -14.402 -5.182 1.00 0.00 C ATOM 936 CG ASP B 448 14.889 -13.648 -6.358 1.00 0.00 C ATOM 937 OD1 ASP B 448 15.633 -13.402 -7.333 1.00 0.00 O ATOM 938 OD2 ASP B 448 13.684 -13.334 -6.257 1.00 0.00 O ATOM 0 H ASP B 448 16.462 -14.517 -2.711 1.00 0.00 H new ATOM 0 HA ASP B 448 17.613 -13.970 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP B 448 15.699 -15.431 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP B 448 14.788 -14.438 -4.368 1.00 0.00 H new ATOM 943 N GLU B 449 16.690 -11.550 -5.491 1.00 0.00 N ATOM 944 CA GLU B 449 16.500 -10.112 -5.414 1.00 0.00 C ATOM 945 C GLU B 449 15.025 -9.784 -5.172 1.00 0.00 C ATOM 946 O GLU B 449 14.196 -9.939 -6.068 1.00 0.00 O ATOM 947 CB GLU B 449 17.015 -9.422 -6.679 1.00 0.00 C ATOM 948 CG GLU B 449 17.631 -8.061 -6.349 1.00 0.00 C ATOM 949 CD GLU B 449 16.762 -6.921 -6.886 1.00 0.00 C ATOM 950 OE1 GLU B 449 15.558 -6.920 -6.551 1.00 0.00 O ATOM 951 OE2 GLU B 449 17.322 -6.077 -7.618 1.00 0.00 O ATOM 0 H GLU B 449 16.900 -11.903 -6.425 1.00 0.00 H new ATOM 0 HA GLU B 449 17.079 -9.733 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU B 449 17.759 -10.054 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU B 449 16.196 -9.293 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU B 449 17.743 -7.960 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU B 449 18.630 -7.996 -6.780 1.00 0.00 H new ATOM 958 N GLY B 450 14.743 -9.338 -3.957 1.00 0.00 N ATOM 959 CA GLY B 450 13.383 -8.986 -3.586 1.00 0.00 C ATOM 960 C GLY B 450 12.713 -10.125 -2.814 1.00 0.00 C ATOM 961 O GLY B 450 11.566 -10.000 -2.388 1.00 0.00 O ATOM 0 H GLY B 450 15.433 -9.212 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY B 450 13.391 -8.083 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY B 450 12.805 -8.760 -4.482 1.00 0.00 H new ATOM 965 N TRP B 451 13.459 -11.209 -2.657 1.00 0.00 N ATOM 966 CA TRP B 451 12.952 -12.369 -1.944 1.00 0.00 C ATOM 967 C TRP B 451 14.073 -12.901 -1.049 1.00 0.00 C ATOM 968 O TRP B 451 15.229 -12.961 -1.466 1.00 0.00 O ATOM 969 CB TRP B 451 12.414 -13.420 -2.918 1.00 0.00 C ATOM 970 CG TRP B 451 11.673 -12.832 -4.120 1.00 0.00 C ATOM 971 CD1 TRP B 451 12.076 -11.850 -4.939 1.00 0.00 C ATOM 972 CD2 TRP B 451 10.376 -13.232 -4.610 1.00 0.00 C ATOM 973 NE1 TRP B 451 11.137 -11.589 -5.916 1.00 0.00 N ATOM 974 CE2 TRP B 451 10.070 -12.456 -5.710 1.00 0.00 C ATOM 975 CE3 TRP B 451 9.490 -14.217 -4.140 1.00 0.00 C ATOM 976 CZ2 TRP B 451 8.877 -12.585 -6.431 1.00 0.00 C ATOM 977 CZ3 TRP B 451 8.302 -14.333 -4.871 1.00 0.00 C ATOM 978 CH2 TRP B 451 7.979 -13.560 -5.980 1.00 0.00 C ATOM 0 H TRP B 451 14.410 -11.308 -3.011 1.00 0.00 H new ATOM 0 HA TRP B 451 12.105 -12.095 -1.315 1.00 0.00 H new ATOM 0 HB2 TRP B 451 13.245 -14.027 -3.278 1.00 0.00 H new ATOM 0 HB3 TRP B 451 11.741 -14.088 -2.380 1.00 0.00 H new ATOM 0 HD1 TRP B 451 13.017 -11.329 -4.846 1.00 0.00 H new ATOM 0 HE1 TRP B 451 11.212 -10.889 -6.654 1.00 0.00 H new ATOM 0 HE3 TRP B 451 9.709 -14.836 -3.282 1.00 0.00 H new ATOM 0 HZ2 TRP B 451 8.661 -11.966 -7.289 1.00 0.00 H new ATOM 0 HZ3 TRP B 451 7.586 -15.075 -4.551 1.00 0.00 H new ATOM 0 HH2 TRP B 451 7.040 -13.711 -6.491 1.00 0.00 H new ATOM 989 N LEU B 452 13.692 -13.273 0.164 1.00 0.00 N ATOM 990 CA LEU B 452 14.651 -13.799 1.120 1.00 0.00 C ATOM 991 C LEU B 452 14.197 -15.186 1.581 1.00 0.00 C ATOM 992 O LEU B 452 13.086 -15.613 1.273 1.00 0.00 O ATOM 993 CB LEU B 452 14.863 -12.809 2.267 1.00 0.00 C ATOM 994 CG LEU B 452 13.986 -11.555 2.240 1.00 0.00 C ATOM 995 CD1 LEU B 452 13.873 -10.936 3.635 1.00 0.00 C ATOM 996 CD2 LEU B 452 14.499 -10.550 1.207 1.00 0.00 C ATOM 0 H LEU B 452 12.733 -13.221 0.507 1.00 0.00 H new ATOM 0 HA LEU B 452 15.627 -13.922 0.651 1.00 0.00 H new ATOM 0 HB2 LEU B 452 14.688 -13.331 3.208 1.00 0.00 H new ATOM 0 HB3 LEU B 452 15.908 -12.498 2.264 1.00 0.00 H new ATOM 0 HG LEU B 452 12.981 -11.846 1.934 1.00 0.00 H new ATOM 0 HD11 LEU B 452 13.245 -10.046 3.589 1.00 0.00 H new ATOM 0 HD12 LEU B 452 13.428 -11.659 4.319 1.00 0.00 H new ATOM 0 HD13 LEU B 452 14.865 -10.661 3.993 1.00 0.00 H new ATOM 0 HD21 LEU B 452 13.858 -9.668 1.208 1.00 0.00 H new ATOM 0 HD22 LEU B 452 15.519 -10.258 1.459 1.00 0.00 H new ATOM 0 HD23 LEU B 452 14.486 -11.007 0.217 1.00 0.00 H new ATOM 1008 N MET B 453 15.080 -15.850 2.313 1.00 0.00 N ATOM 1009 CA MET B 453 14.784 -17.179 2.820 1.00 0.00 C ATOM 1010 C MET B 453 14.043 -17.103 4.157 1.00 0.00 C ATOM 1011 O MET B 453 14.608 -16.670 5.160 1.00 0.00 O ATOM 1012 CB MET B 453 16.087 -17.959 3.002 1.00 0.00 C ATOM 1013 CG MET B 453 15.858 -19.225 3.829 1.00 0.00 C ATOM 1014 SD MET B 453 16.495 -20.647 2.958 1.00 0.00 S ATOM 1015 CE MET B 453 15.430 -20.635 1.525 1.00 0.00 C ATOM 0 H MET B 453 16.001 -15.492 2.567 1.00 0.00 H new ATOM 0 HA MET B 453 14.144 -17.688 2.099 1.00 0.00 H new ATOM 0 HB2 MET B 453 16.494 -18.226 2.027 1.00 0.00 H new ATOM 0 HB3 MET B 453 16.827 -17.328 3.494 1.00 0.00 H new ATOM 0 HG2 MET B 453 16.350 -19.131 4.797 1.00 0.00 H new ATOM 0 HG3 MET B 453 14.793 -19.354 4.024 1.00 0.00 H new ATOM 0 HE1 MET B 453 15.991 -20.969 0.652 1.00 0.00 H new ATOM 0 HE2 MET B 453 14.587 -21.305 1.693 1.00 0.00 H new ATOM 0 HE3 MET B 453 15.061 -19.624 1.354 1.00 0.00 H new ATOM 1025 N GLY B 454 12.789 -17.530 4.127 1.00 0.00 N ATOM 1026 CA GLY B 454 11.965 -17.515 5.324 1.00 0.00 C ATOM 1027 C GLY B 454 11.198 -18.830 5.478 1.00 0.00 C ATOM 1028 O GLY B 454 11.225 -19.677 4.586 1.00 0.00 O ATOM 0 H GLY B 454 12.324 -17.888 3.293 1.00 0.00 H new ATOM 0 HA2 GLY B 454 12.593 -17.351 6.200 1.00 0.00 H new ATOM 0 HA3 GLY B 454 11.262 -16.683 5.276 1.00 0.00 H new ATOM 1032 N VAL B 455 10.532 -18.960 6.616 1.00 0.00 N ATOM 1033 CA VAL B 455 9.758 -20.157 6.897 1.00 0.00 C ATOM 1034 C VAL B 455 8.381 -19.755 7.431 1.00 0.00 C ATOM 1035 O VAL B 455 8.255 -18.763 8.147 1.00 0.00 O ATOM 1036 CB VAL B 455 10.529 -21.066 7.857 1.00 0.00 C ATOM 1037 CG1 VAL B 455 10.719 -20.391 9.217 1.00 0.00 C ATOM 1038 CG2 VAL B 455 9.832 -22.419 8.009 1.00 0.00 C ATOM 0 H VAL B 455 10.512 -18.256 7.354 1.00 0.00 H new ATOM 0 HA VAL B 455 9.598 -20.731 5.984 1.00 0.00 H new ATOM 0 HB VAL B 455 11.516 -21.244 7.430 1.00 0.00 H new ATOM 0 HG11 VAL B 455 11.270 -21.058 9.880 1.00 0.00 H new ATOM 0 HG12 VAL B 455 11.278 -19.464 9.088 1.00 0.00 H new ATOM 0 HG13 VAL B 455 9.745 -20.169 9.652 1.00 0.00 H new ATOM 0 HG21 VAL B 455 10.400 -23.046 8.696 1.00 0.00 H new ATOM 0 HG22 VAL B 455 8.827 -22.268 8.402 1.00 0.00 H new ATOM 0 HG23 VAL B 455 9.772 -22.908 7.037 1.00 0.00 H new ATOM 1048 N LYS B 456 7.385 -20.546 7.061 1.00 0.00 N ATOM 1049 CA LYS B 456 6.022 -20.284 7.493 1.00 0.00 C ATOM 1050 C LYS B 456 5.826 -20.834 8.908 1.00 0.00 C ATOM 1051 O LYS B 456 6.600 -21.674 9.364 1.00 0.00 O ATOM 1052 CB LYS B 456 5.022 -20.835 6.475 1.00 0.00 C ATOM 1053 CG LYS B 456 4.510 -19.726 5.554 1.00 0.00 C ATOM 1054 CD LYS B 456 3.312 -20.206 4.732 1.00 0.00 C ATOM 1055 CE LYS B 456 3.638 -21.507 3.995 1.00 0.00 C ATOM 1056 NZ LYS B 456 2.903 -22.641 4.598 1.00 0.00 N ATOM 0 H LYS B 456 7.494 -21.368 6.467 1.00 0.00 H new ATOM 0 HA LYS B 456 5.836 -19.211 7.539 1.00 0.00 H new ATOM 0 HB2 LYS B 456 5.496 -21.616 5.881 1.00 0.00 H new ATOM 0 HB3 LYS B 456 4.183 -21.296 6.997 1.00 0.00 H new ATOM 0 HG2 LYS B 456 4.224 -18.858 6.148 1.00 0.00 H new ATOM 0 HG3 LYS B 456 5.309 -19.405 4.886 1.00 0.00 H new ATOM 0 HD2 LYS B 456 2.455 -20.360 5.388 1.00 0.00 H new ATOM 0 HD3 LYS B 456 3.029 -19.438 4.013 1.00 0.00 H new ATOM 0 HE2 LYS B 456 3.372 -21.412 2.942 1.00 0.00 H new ATOM 0 HE3 LYS B 456 4.710 -21.697 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 456 3.135 -23.516 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 456 3.177 -22.740 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 456 1.880 -22.464 4.535 1.00 0.00 H new ATOM 1070 N GLU B 457 4.787 -20.337 9.562 1.00 0.00 N ATOM 1071 CA GLU B 457 4.479 -20.768 10.915 1.00 0.00 C ATOM 1072 C GLU B 457 4.259 -22.281 10.954 1.00 0.00 C ATOM 1073 O GLU B 457 4.740 -22.960 11.860 1.00 0.00 O ATOM 1074 CB GLU B 457 3.261 -20.023 11.465 1.00 0.00 C ATOM 1075 CG GLU B 457 2.824 -20.603 12.811 1.00 0.00 C ATOM 1076 CD GLU B 457 2.393 -19.494 13.773 1.00 0.00 C ATOM 1077 OE1 GLU B 457 3.063 -18.438 13.758 1.00 0.00 O ATOM 1078 OE2 GLU B 457 1.405 -19.727 14.501 1.00 0.00 O ATOM 0 H GLU B 457 4.148 -19.640 9.180 1.00 0.00 H new ATOM 0 HA GLU B 457 5.329 -20.528 11.553 1.00 0.00 H new ATOM 0 HB2 GLU B 457 3.499 -18.966 11.581 1.00 0.00 H new ATOM 0 HB3 GLU B 457 2.438 -20.088 10.753 1.00 0.00 H new ATOM 0 HG2 GLU B 457 1.999 -21.299 12.660 1.00 0.00 H new ATOM 0 HG3 GLU B 457 3.644 -21.171 13.250 1.00 0.00 H new ATOM 1085 N SER B 458 3.532 -22.767 9.958 1.00 0.00 N ATOM 1086 CA SER B 458 3.242 -24.187 9.866 1.00 0.00 C ATOM 1087 C SER B 458 4.542 -24.977 9.696 1.00 0.00 C ATOM 1088 O SER B 458 4.717 -26.030 10.306 1.00 0.00 O ATOM 1089 CB SER B 458 2.287 -24.481 8.708 1.00 0.00 C ATOM 1090 OG SER B 458 1.356 -25.511 9.031 1.00 0.00 O ATOM 0 H SER B 458 3.135 -22.201 9.208 1.00 0.00 H new ATOM 0 HA SER B 458 2.754 -24.497 10.790 1.00 0.00 H new ATOM 0 HB2 SER B 458 1.745 -23.572 8.445 1.00 0.00 H new ATOM 0 HB3 SER B 458 2.862 -24.775 7.830 1.00 0.00 H new ATOM 0 HG SER B 458 0.763 -25.668 8.267 1.00 0.00 H new ATOM 1096 N ASP B 459 5.420 -24.436 8.864 1.00 0.00 N ATOM 1097 CA ASP B 459 6.698 -25.077 8.606 1.00 0.00 C ATOM 1098 C ASP B 459 7.510 -25.125 9.902 1.00 0.00 C ATOM 1099 O ASP B 459 8.275 -26.063 10.126 1.00 0.00 O ATOM 1100 CB ASP B 459 7.508 -24.294 7.571 1.00 0.00 C ATOM 1101 CG ASP B 459 6.924 -24.297 6.157 1.00 0.00 C ATOM 1102 OD1 ASP B 459 5.680 -24.222 6.056 1.00 0.00 O ATOM 1103 OD2 ASP B 459 7.734 -24.374 5.208 1.00 0.00 O ATOM 0 H ASP B 459 5.272 -23.562 8.360 1.00 0.00 H new ATOM 0 HA ASP B 459 6.502 -26.080 8.227 1.00 0.00 H new ATOM 0 HB2 ASP B 459 7.599 -23.261 7.908 1.00 0.00 H new ATOM 0 HB3 ASP B 459 8.516 -24.707 7.533 1.00 0.00 H new ATOM 1108 N TRP B 460 7.317 -24.103 10.723 1.00 0.00 N ATOM 1109 CA TRP B 460 8.021 -24.017 11.990 1.00 0.00 C ATOM 1110 C TRP B 460 7.811 -25.335 12.739 1.00 0.00 C ATOM 1111 O TRP B 460 8.764 -25.926 13.243 1.00 0.00 O ATOM 1112 CB TRP B 460 7.564 -22.796 12.790 1.00 0.00 C ATOM 1113 CG TRP B 460 8.473 -22.449 13.971 1.00 0.00 C ATOM 1114 CD1 TRP B 460 9.372 -23.235 14.579 1.00 0.00 C ATOM 1115 CD2 TRP B 460 8.534 -21.187 14.668 1.00 0.00 C ATOM 1116 NE1 TRP B 460 10.006 -22.575 15.611 1.00 0.00 N ATOM 1117 CE2 TRP B 460 9.481 -21.289 15.667 1.00 0.00 C ATOM 1118 CE3 TRP B 460 7.814 -19.997 14.460 1.00 0.00 C ATOM 1119 CZ2 TRP B 460 9.794 -20.238 16.537 1.00 0.00 C ATOM 1120 CZ3 TRP B 460 8.138 -18.956 15.338 1.00 0.00 C ATOM 1121 CH2 TRP B 460 9.088 -19.043 16.349 1.00 0.00 C ATOM 0 H TRP B 460 6.682 -23.327 10.535 1.00 0.00 H new ATOM 0 HA TRP B 460 9.089 -23.875 11.828 1.00 0.00 H new ATOM 0 HB2 TRP B 460 7.510 -21.936 12.122 1.00 0.00 H new ATOM 0 HB3 TRP B 460 6.555 -22.975 13.162 1.00 0.00 H new ATOM 0 HD1 TRP B 460 9.575 -24.257 14.296 1.00 0.00 H new ATOM 0 HE1 TRP B 460 10.727 -22.960 16.221 1.00 0.00 H new ATOM 0 HE3 TRP B 460 7.070 -19.894 13.684 1.00 0.00 H new ATOM 0 HZ2 TRP B 460 10.540 -20.343 17.311 1.00 0.00 H new ATOM 0 HZ3 TRP B 460 7.613 -18.019 15.222 1.00 0.00 H new ATOM 0 HH2 TRP B 460 9.281 -18.193 16.987 1.00 0.00 H new ATOM 1132 N ASN B 461 6.556 -25.757 12.787 1.00 0.00 N ATOM 1133 CA ASN B 461 6.208 -26.994 13.465 1.00 0.00 C ATOM 1134 C ASN B 461 7.064 -28.134 12.909 1.00 0.00 C ATOM 1135 O ASN B 461 7.311 -29.122 13.598 1.00 0.00 O ATOM 1136 CB ASN B 461 4.738 -27.352 13.238 1.00 0.00 C ATOM 1137 CG ASN B 461 3.815 -26.331 13.906 1.00 0.00 C ATOM 1138 OD1 ASN B 461 3.405 -26.478 15.045 1.00 0.00 O ATOM 1139 ND2 ASN B 461 3.512 -25.290 13.135 1.00 0.00 N ATOM 0 H ASN B 461 5.768 -25.264 12.367 1.00 0.00 H new ATOM 0 HA ASN B 461 6.385 -26.855 14.532 1.00 0.00 H new ATOM 0 HB2 ASN B 461 4.530 -27.390 12.169 1.00 0.00 H new ATOM 0 HB3 ASN B 461 4.536 -28.346 13.638 1.00 0.00 H new ATOM 0 HD21 ASN B 461 2.902 -24.553 13.489 1.00 0.00 H new ATOM 0 HD22 ASN B 461 3.890 -25.229 12.190 1.00 0.00 H new ATOM 1146 N GLN B 462 7.493 -27.958 11.668 1.00 0.00 N ATOM 1147 CA GLN B 462 8.315 -28.959 11.011 1.00 0.00 C ATOM 1148 C GLN B 462 9.795 -28.585 11.119 1.00 0.00 C ATOM 1149 O GLN B 462 10.625 -29.101 10.372 1.00 0.00 O ATOM 1150 CB GLN B 462 7.900 -29.137 9.550 1.00 0.00 C ATOM 1151 CG GLN B 462 6.863 -30.253 9.406 1.00 0.00 C ATOM 1152 CD GLN B 462 5.445 -29.680 9.350 1.00 0.00 C ATOM 1153 OE1 GLN B 462 4.907 -29.388 8.295 1.00 0.00 O ATOM 1154 NE2 GLN B 462 4.872 -29.536 10.541 1.00 0.00 N ATOM 0 H GLN B 462 7.286 -27.136 11.100 1.00 0.00 H new ATOM 0 HA GLN B 462 8.164 -29.913 11.516 1.00 0.00 H new ATOM 0 HB2 GLN B 462 7.489 -28.202 9.169 1.00 0.00 H new ATOM 0 HB3 GLN B 462 8.776 -29.370 8.945 1.00 0.00 H new ATOM 0 HG2 GLN B 462 7.064 -30.826 8.501 1.00 0.00 H new ATOM 0 HG3 GLN B 462 6.947 -30.943 10.245 1.00 0.00 H new ATOM 0 HE21 GLN B 462 5.379 -29.800 11.386 1.00 0.00 H new ATOM 0 HE22 GLN B 462 3.926 -29.161 10.610 1.00 0.00 H new ATOM 1163 N HIS B 463 10.080 -27.692 12.055 1.00 0.00 N ATOM 1164 CA HIS B 463 11.445 -27.243 12.270 1.00 0.00 C ATOM 1165 C HIS B 463 12.386 -28.449 12.284 1.00 0.00 C ATOM 1166 O HIS B 463 13.580 -28.312 12.023 1.00 0.00 O ATOM 1167 CB HIS B 463 11.545 -26.397 13.541 1.00 0.00 C ATOM 1168 CG HIS B 463 12.876 -26.502 14.246 1.00 0.00 C ATOM 1169 ND1 HIS B 463 14.005 -25.822 13.822 1.00 0.00 N ATOM 1170 CD2 HIS B 463 13.247 -27.214 15.349 1.00 0.00 C ATOM 1171 CE1 HIS B 463 15.004 -26.119 14.640 1.00 0.00 C ATOM 1172 NE2 HIS B 463 14.532 -26.982 15.585 1.00 0.00 N ATOM 0 H HIS B 463 9.389 -27.267 12.673 1.00 0.00 H new ATOM 0 HA HIS B 463 11.753 -26.596 11.448 1.00 0.00 H new ATOM 0 HB2 HIS B 463 11.362 -25.353 13.286 1.00 0.00 H new ATOM 0 HB3 HIS B 463 10.756 -26.700 14.229 1.00 0.00 H new ATOM 0 HD2 HIS B 463 12.604 -27.857 15.931 1.00 0.00 H new ATOM 0 HE1 HIS B 463 16.014 -25.744 14.571 1.00 0.00 H new ATOM 0 HE2 HIS B 463 15.077 -27.383 16.348 1.00 0.00 H new ATOM 1180 N LYS B 464 11.812 -29.603 12.592 1.00 0.00 N ATOM 1181 CA LYS B 464 12.585 -30.832 12.644 1.00 0.00 C ATOM 1182 C LYS B 464 13.254 -31.066 11.288 1.00 0.00 C ATOM 1183 O LYS B 464 14.329 -31.659 11.217 1.00 0.00 O ATOM 1184 CB LYS B 464 11.708 -31.997 13.107 1.00 0.00 C ATOM 1185 CG LYS B 464 12.496 -32.956 14.001 1.00 0.00 C ATOM 1186 CD LYS B 464 11.567 -33.968 14.674 1.00 0.00 C ATOM 1187 CE LYS B 464 11.736 -33.942 16.194 1.00 0.00 C ATOM 1188 NZ LYS B 464 10.461 -34.283 16.863 1.00 0.00 N ATOM 0 H LYS B 464 10.821 -29.713 12.808 1.00 0.00 H new ATOM 0 HA LYS B 464 13.382 -30.750 13.383 1.00 0.00 H new ATOM 0 HB2 LYS B 464 10.845 -31.613 13.651 1.00 0.00 H new ATOM 0 HB3 LYS B 464 11.324 -32.535 12.240 1.00 0.00 H new ATOM 0 HG2 LYS B 464 13.243 -33.482 13.406 1.00 0.00 H new ATOM 0 HG3 LYS B 464 13.035 -32.390 14.761 1.00 0.00 H new ATOM 0 HD2 LYS B 464 10.532 -33.744 14.416 1.00 0.00 H new ATOM 0 HD3 LYS B 464 11.780 -34.969 14.298 1.00 0.00 H new ATOM 0 HE2 LYS B 464 12.510 -34.649 16.492 1.00 0.00 H new ATOM 0 HE3 LYS B 464 12.067 -32.954 16.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 464 10.593 -34.261 17.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 464 9.732 -33.593 16.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 464 10.161 -35.236 16.573 1.00 0.00 H new ATOM 1202 N LYS B 465 12.590 -30.589 10.246 1.00 0.00 N ATOM 1203 CA LYS B 465 13.107 -30.739 8.897 1.00 0.00 C ATOM 1204 C LYS B 465 12.962 -29.412 8.149 1.00 0.00 C ATOM 1205 O LYS B 465 12.424 -29.373 7.044 1.00 0.00 O ATOM 1206 CB LYS B 465 12.432 -31.918 8.192 1.00 0.00 C ATOM 1207 CG LYS B 465 13.092 -33.241 8.584 1.00 0.00 C ATOM 1208 CD LYS B 465 12.148 -34.095 9.432 1.00 0.00 C ATOM 1209 CE LYS B 465 12.419 -35.586 9.223 1.00 0.00 C ATOM 1210 NZ LYS B 465 11.781 -36.385 10.293 1.00 0.00 N ATOM 0 H LYS B 465 11.698 -30.098 10.309 1.00 0.00 H new ATOM 0 HA LYS B 465 14.170 -30.978 8.922 1.00 0.00 H new ATOM 0 HB2 LYS B 465 11.374 -31.944 8.452 1.00 0.00 H new ATOM 0 HB3 LYS B 465 12.492 -31.783 7.112 1.00 0.00 H new ATOM 0 HG2 LYS B 465 13.376 -33.790 7.686 1.00 0.00 H new ATOM 0 HG3 LYS B 465 14.008 -33.044 9.141 1.00 0.00 H new ATOM 0 HD2 LYS B 465 12.272 -33.844 10.485 1.00 0.00 H new ATOM 0 HD3 LYS B 465 11.114 -33.870 9.170 1.00 0.00 H new ATOM 0 HE2 LYS B 465 12.037 -35.898 8.251 1.00 0.00 H new ATOM 0 HE3 LYS B 465 13.494 -35.769 9.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 465 11.975 -37.394 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 465 12.165 -36.099 11.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 465 10.754 -36.224 10.281 1.00 0.00 H new ATOM 1224 N LEU B 466 13.452 -28.356 8.782 1.00 0.00 N ATOM 1225 CA LEU B 466 13.385 -27.031 8.191 1.00 0.00 C ATOM 1226 C LEU B 466 14.317 -26.970 6.979 1.00 0.00 C ATOM 1227 O LEU B 466 14.059 -26.232 6.029 1.00 0.00 O ATOM 1228 CB LEU B 466 13.675 -25.959 9.244 1.00 0.00 C ATOM 1229 CG LEU B 466 15.147 -25.594 9.442 1.00 0.00 C ATOM 1230 CD1 LEU B 466 15.294 -24.148 9.918 1.00 0.00 C ATOM 1231 CD2 LEU B 466 15.834 -26.581 10.388 1.00 0.00 C ATOM 0 H LEU B 466 13.897 -28.392 9.699 1.00 0.00 H new ATOM 0 HA LEU B 466 12.377 -26.826 7.830 1.00 0.00 H new ATOM 0 HB2 LEU B 466 13.130 -25.055 8.973 1.00 0.00 H new ATOM 0 HB3 LEU B 466 13.274 -26.298 10.199 1.00 0.00 H new ATOM 0 HG LEU B 466 15.650 -25.668 8.478 1.00 0.00 H new ATOM 0 HD11 LEU B 466 16.350 -23.914 10.051 1.00 0.00 H new ATOM 0 HD12 LEU B 466 14.864 -23.475 9.176 1.00 0.00 H new ATOM 0 HD13 LEU B 466 14.772 -24.022 10.867 1.00 0.00 H new ATOM 0 HD21 LEU B 466 16.880 -26.299 10.512 1.00 0.00 H new ATOM 0 HD22 LEU B 466 15.336 -26.562 11.357 1.00 0.00 H new ATOM 0 HD23 LEU B 466 15.777 -27.586 9.970 1.00 0.00 H new ATOM 1243 N GLU B 467 15.381 -27.755 7.051 1.00 0.00 N ATOM 1244 CA GLU B 467 16.353 -27.800 5.972 1.00 0.00 C ATOM 1245 C GLU B 467 15.655 -28.082 4.640 1.00 0.00 C ATOM 1246 O GLU B 467 16.092 -27.606 3.593 1.00 0.00 O ATOM 1247 CB GLU B 467 17.438 -28.841 6.254 1.00 0.00 C ATOM 1248 CG GLU B 467 18.697 -28.182 6.822 1.00 0.00 C ATOM 1249 CD GLU B 467 19.784 -29.222 7.097 1.00 0.00 C ATOM 1250 OE1 GLU B 467 20.405 -29.669 6.108 1.00 0.00 O ATOM 1251 OE2 GLU B 467 19.970 -29.548 8.289 1.00 0.00 O ATOM 0 H GLU B 467 15.592 -28.366 7.840 1.00 0.00 H new ATOM 0 HA GLU B 467 16.839 -26.826 5.906 1.00 0.00 H new ATOM 0 HB2 GLU B 467 17.061 -29.582 6.959 1.00 0.00 H new ATOM 0 HB3 GLU B 467 17.685 -29.372 5.335 1.00 0.00 H new ATOM 0 HG2 GLU B 467 19.071 -27.437 6.119 1.00 0.00 H new ATOM 0 HG3 GLU B 467 18.451 -27.655 7.744 1.00 0.00 H new ATOM 1258 N LYS B 468 14.582 -28.854 4.723 1.00 0.00 N ATOM 1259 CA LYS B 468 13.819 -29.205 3.537 1.00 0.00 C ATOM 1260 C LYS B 468 12.468 -28.487 3.573 1.00 0.00 C ATOM 1261 O LYS B 468 11.595 -28.759 2.751 1.00 0.00 O ATOM 1262 CB LYS B 468 13.705 -30.725 3.404 1.00 0.00 C ATOM 1263 CG LYS B 468 12.868 -31.313 4.543 1.00 0.00 C ATOM 1264 CD LYS B 468 13.240 -32.775 4.797 1.00 0.00 C ATOM 1265 CE LYS B 468 14.550 -32.879 5.581 1.00 0.00 C ATOM 1266 NZ LYS B 468 14.975 -34.292 5.695 1.00 0.00 N ATOM 0 H LYS B 468 14.223 -29.247 5.593 1.00 0.00 H new ATOM 0 HA LYS B 468 14.335 -28.867 2.638 1.00 0.00 H new ATOM 0 HB2 LYS B 468 13.250 -30.977 2.446 1.00 0.00 H new ATOM 0 HB3 LYS B 468 14.700 -31.170 3.411 1.00 0.00 H new ATOM 0 HG2 LYS B 468 13.024 -30.731 5.451 1.00 0.00 H new ATOM 0 HG3 LYS B 468 11.809 -31.241 4.296 1.00 0.00 H new ATOM 0 HD2 LYS B 468 12.440 -33.266 5.351 1.00 0.00 H new ATOM 0 HD3 LYS B 468 13.338 -33.299 3.847 1.00 0.00 H new ATOM 0 HE2 LYS B 468 15.326 -32.299 5.082 1.00 0.00 H new ATOM 0 HE3 LYS B 468 14.421 -32.451 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 468 15.731 -34.371 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 468 14.165 -34.876 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 468 15.328 -34.624 4.775 1.00 0.00 H new ATOM 1280 N CYS B 469 12.339 -27.585 4.535 1.00 0.00 N ATOM 1281 CA CYS B 469 11.109 -26.827 4.690 1.00 0.00 C ATOM 1282 C CYS B 469 11.381 -25.380 4.272 1.00 0.00 C ATOM 1283 O CYS B 469 10.457 -24.647 3.924 1.00 0.00 O ATOM 1284 CB CYS B 469 10.565 -26.916 6.117 1.00 0.00 C ATOM 1285 SG CYS B 469 8.739 -27.023 6.085 1.00 0.00 S ATOM 0 H CYS B 469 13.066 -27.362 5.215 1.00 0.00 H new ATOM 0 HA CYS B 469 10.335 -27.250 4.050 1.00 0.00 H new ATOM 0 HB2 CYS B 469 10.980 -27.790 6.619 1.00 0.00 H new ATOM 0 HB3 CYS B 469 10.876 -26.042 6.689 1.00 0.00 H new ATOM 0 HG CYS B 469 8.261 -26.070 5.341 1.00 0.00 H new ATOM 1291 N ARG B 470 12.654 -25.013 4.320 1.00 0.00 N ATOM 1292 CA ARG B 470 13.059 -23.668 3.951 1.00 0.00 C ATOM 1293 C ARG B 470 12.498 -23.303 2.575 1.00 0.00 C ATOM 1294 O ARG B 470 12.253 -24.180 1.749 1.00 0.00 O ATOM 1295 CB ARG B 470 14.583 -23.540 3.923 1.00 0.00 C ATOM 1296 CG ARG B 470 15.196 -23.993 5.250 1.00 0.00 C ATOM 1297 CD ARG B 470 16.276 -23.016 5.718 1.00 0.00 C ATOM 1298 NE ARG B 470 17.099 -23.640 6.778 1.00 0.00 N ATOM 1299 CZ ARG B 470 17.968 -22.970 7.546 1.00 0.00 C ATOM 1300 NH1 ARG B 470 18.134 -21.652 7.377 1.00 0.00 N ATOM 1301 NH2 ARG B 470 18.672 -23.619 8.484 1.00 0.00 N ATOM 0 H ARG B 470 13.418 -25.624 4.609 1.00 0.00 H new ATOM 0 HA ARG B 470 12.662 -22.985 4.702 1.00 0.00 H new ATOM 0 HB2 ARG B 470 14.987 -24.140 3.108 1.00 0.00 H new ATOM 0 HB3 ARG B 470 14.861 -22.505 3.724 1.00 0.00 H new ATOM 0 HG2 ARG B 470 14.416 -24.068 6.008 1.00 0.00 H new ATOM 0 HG3 ARG B 470 15.626 -24.988 5.135 1.00 0.00 H new ATOM 0 HD2 ARG B 470 16.908 -22.730 4.877 1.00 0.00 H new ATOM 0 HD3 ARG B 470 15.814 -22.104 6.095 1.00 0.00 H new ATOM 0 HE ARG B 470 16.998 -24.643 6.933 1.00 0.00 H new ATOM 0 HH11 ARG B 470 17.599 -21.158 6.663 1.00 0.00 H new ATOM 0 HH12 ARG B 470 18.796 -21.142 7.962 1.00 0.00 H new ATOM 0 HH21 ARG B 470 18.546 -24.623 8.613 1.00 0.00 H new ATOM 0 HH22 ARG B 470 19.334 -23.109 9.069 1.00 0.00 H new ATOM 1315 N GLY B 471 12.311 -22.007 2.373 1.00 0.00 N ATOM 1316 CA GLY B 471 11.781 -21.516 1.112 1.00 0.00 C ATOM 1317 C GLY B 471 12.149 -20.046 0.899 1.00 0.00 C ATOM 1318 O GLY B 471 12.831 -19.446 1.728 1.00 0.00 O ATOM 0 H GLY B 471 12.517 -21.282 3.061 1.00 0.00 H new ATOM 0 HA2 GLY B 471 12.173 -22.116 0.290 1.00 0.00 H new ATOM 0 HA3 GLY B 471 10.697 -21.629 1.100 1.00 0.00 H new ATOM 1322 N VAL B 472 11.679 -19.508 -0.218 1.00 0.00 N ATOM 1323 CA VAL B 472 11.950 -18.119 -0.550 1.00 0.00 C ATOM 1324 C VAL B 472 10.625 -17.378 -0.741 1.00 0.00 C ATOM 1325 O VAL B 472 9.666 -17.939 -1.268 1.00 0.00 O ATOM 1326 CB VAL B 472 12.860 -18.043 -1.778 1.00 0.00 C ATOM 1327 CG1 VAL B 472 12.773 -16.667 -2.440 1.00 0.00 C ATOM 1328 CG2 VAL B 472 14.305 -18.385 -1.411 1.00 0.00 C ATOM 0 H VAL B 472 11.113 -20.008 -0.903 1.00 0.00 H new ATOM 0 HA VAL B 472 12.483 -17.628 0.264 1.00 0.00 H new ATOM 0 HB VAL B 472 12.513 -18.784 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL B 472 13.429 -16.640 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL B 472 11.746 -16.478 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL B 472 13.081 -15.901 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL B 472 14.931 -18.324 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL B 472 14.667 -17.679 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL B 472 14.348 -19.396 -1.006 1.00 0.00 H new ATOM 1338 N PHE B 473 10.615 -16.128 -0.302 1.00 0.00 N ATOM 1339 CA PHE B 473 9.425 -15.303 -0.420 1.00 0.00 C ATOM 1340 C PHE B 473 9.793 -13.826 -0.569 1.00 0.00 C ATOM 1341 O PHE B 473 10.823 -13.385 -0.062 1.00 0.00 O ATOM 1342 CB PHE B 473 8.623 -15.488 0.870 1.00 0.00 C ATOM 1343 CG PHE B 473 9.244 -14.808 2.092 1.00 0.00 C ATOM 1344 CD1 PHE B 473 10.384 -15.306 2.641 1.00 0.00 C ATOM 1345 CD2 PHE B 473 8.656 -13.705 2.628 1.00 0.00 C ATOM 1346 CE1 PHE B 473 10.961 -14.674 3.775 1.00 0.00 C ATOM 1347 CE2 PHE B 473 9.233 -13.073 3.762 1.00 0.00 C ATOM 1348 CZ PHE B 473 10.373 -13.571 4.311 1.00 0.00 C ATOM 0 H PHE B 473 11.412 -15.667 0.136 1.00 0.00 H new ATOM 0 HA PHE B 473 8.855 -15.598 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE B 473 7.618 -15.095 0.720 1.00 0.00 H new ATOM 0 HB3 PHE B 473 8.521 -16.554 1.073 1.00 0.00 H new ATOM 0 HD1 PHE B 473 10.851 -16.182 2.215 1.00 0.00 H new ATOM 0 HD2 PHE B 473 7.751 -13.310 2.192 1.00 0.00 H new ATOM 0 HE1 PHE B 473 11.866 -15.069 4.211 1.00 0.00 H new ATOM 0 HE2 PHE B 473 8.766 -12.197 4.188 1.00 0.00 H new ATOM 0 HZ PHE B 473 10.812 -13.090 5.173 1.00 0.00 H new ATOM 1358 N PRO B 474 8.909 -13.082 -1.287 1.00 0.00 N ATOM 1359 CA PRO B 474 9.131 -11.664 -1.509 1.00 0.00 C ATOM 1360 C PRO B 474 8.835 -10.857 -0.243 1.00 0.00 C ATOM 1361 O PRO B 474 7.707 -10.854 0.246 1.00 0.00 O ATOM 1362 CB PRO B 474 8.221 -11.301 -2.671 1.00 0.00 C ATOM 1363 CG PRO B 474 7.186 -12.411 -2.753 1.00 0.00 C ATOM 1364 CD PRO B 474 7.678 -13.571 -1.902 1.00 0.00 C ATOM 0 HA PRO B 474 10.170 -11.433 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO B 474 7.745 -10.334 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO B 474 8.786 -11.224 -3.600 1.00 0.00 H new ATOM 0 HG2 PRO B 474 6.219 -12.058 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO B 474 7.047 -12.728 -3.787 1.00 0.00 H new ATOM 0 HD2 PRO B 474 6.942 -13.849 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO B 474 7.863 -14.457 -2.509 1.00 0.00 H new ATOM 1372 N GLU B 475 9.869 -10.192 0.251 1.00 0.00 N ATOM 1373 CA GLU B 475 9.734 -9.384 1.451 1.00 0.00 C ATOM 1374 C GLU B 475 8.895 -8.138 1.160 1.00 0.00 C ATOM 1375 O GLU B 475 8.187 -7.644 2.036 1.00 0.00 O ATOM 1376 CB GLU B 475 11.106 -9.002 2.012 1.00 0.00 C ATOM 1377 CG GLU B 475 10.980 -7.899 3.064 1.00 0.00 C ATOM 1378 CD GLU B 475 11.783 -8.245 4.320 1.00 0.00 C ATOM 1379 OE1 GLU B 475 11.424 -9.255 4.962 1.00 0.00 O ATOM 1380 OE2 GLU B 475 12.737 -7.491 4.609 1.00 0.00 O ATOM 0 H GLU B 475 10.803 -10.196 -0.158 1.00 0.00 H new ATOM 0 HA GLU B 475 9.220 -9.976 2.208 1.00 0.00 H new ATOM 0 HB2 GLU B 475 11.579 -9.879 2.454 1.00 0.00 H new ATOM 0 HB3 GLU B 475 11.753 -8.665 1.202 1.00 0.00 H new ATOM 0 HG2 GLU B 475 11.334 -6.955 2.650 1.00 0.00 H new ATOM 0 HG3 GLU B 475 9.931 -7.759 3.326 1.00 0.00 H new ATOM 1387 N ASN B 476 9.002 -7.666 -0.073 1.00 0.00 N ATOM 1388 CA ASN B 476 8.262 -6.487 -0.490 1.00 0.00 C ATOM 1389 C ASN B 476 6.773 -6.830 -0.579 1.00 0.00 C ATOM 1390 O ASN B 476 5.942 -5.950 -0.798 1.00 0.00 O ATOM 1391 CB ASN B 476 8.720 -6.008 -1.869 1.00 0.00 C ATOM 1392 CG ASN B 476 8.667 -7.147 -2.890 1.00 0.00 C ATOM 1393 OD1 ASN B 476 7.675 -7.365 -3.565 1.00 0.00 O ATOM 1394 ND2 ASN B 476 9.789 -7.858 -2.965 1.00 0.00 N ATOM 0 H ASN B 476 9.590 -8.079 -0.797 1.00 0.00 H new ATOM 0 HA ASN B 476 8.441 -5.700 0.243 1.00 0.00 H new ATOM 0 HB2 ASN B 476 8.086 -5.186 -2.202 1.00 0.00 H new ATOM 0 HB3 ASN B 476 9.736 -5.620 -1.804 1.00 0.00 H new ATOM 0 HD21 ASN B 476 9.855 -8.640 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN B 476 10.583 -7.622 -2.370 1.00 0.00 H new ATOM 1401 N PHE B 477 6.482 -8.110 -0.405 1.00 0.00 N ATOM 1402 CA PHE B 477 5.108 -8.580 -0.462 1.00 0.00 C ATOM 1403 C PHE B 477 4.620 -9.018 0.920 1.00 0.00 C ATOM 1404 O PHE B 477 3.480 -9.456 1.070 1.00 0.00 O ATOM 1405 CB PHE B 477 5.087 -9.786 -1.403 1.00 0.00 C ATOM 1406 CG PHE B 477 4.136 -10.902 -0.963 1.00 0.00 C ATOM 1407 CD1 PHE B 477 4.434 -11.658 0.127 1.00 0.00 C ATOM 1408 CD2 PHE B 477 2.993 -11.136 -1.662 1.00 0.00 C ATOM 1409 CE1 PHE B 477 3.552 -12.693 0.535 1.00 0.00 C ATOM 1410 CE2 PHE B 477 2.111 -12.172 -1.254 1.00 0.00 C ATOM 1411 CZ PHE B 477 2.409 -12.928 -0.164 1.00 0.00 C ATOM 0 H PHE B 477 7.174 -8.837 -0.224 1.00 0.00 H new ATOM 0 HA PHE B 477 4.455 -7.780 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE B 477 4.801 -9.451 -2.400 1.00 0.00 H new ATOM 0 HB3 PHE B 477 6.096 -10.192 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE B 477 5.341 -11.471 0.682 1.00 0.00 H new ATOM 0 HD2 PHE B 477 2.756 -10.534 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE B 477 3.789 -13.294 1.401 1.00 0.00 H new ATOM 0 HE2 PHE B 477 1.204 -12.359 -1.810 1.00 0.00 H new ATOM 0 HZ PHE B 477 1.738 -13.715 0.147 1.00 0.00 H new ATOM 1421 N THR B 478 5.506 -8.883 1.896 1.00 0.00 N ATOM 1422 CA THR B 478 5.180 -9.258 3.261 1.00 0.00 C ATOM 1423 C THR B 478 5.446 -8.089 4.213 1.00 0.00 C ATOM 1424 O THR B 478 5.993 -7.065 3.806 1.00 0.00 O ATOM 1425 CB THR B 478 5.974 -10.518 3.609 1.00 0.00 C ATOM 1426 OG1 THR B 478 7.175 -10.391 2.854 1.00 0.00 O ATOM 1427 CG2 THR B 478 5.323 -11.790 3.062 1.00 0.00 C ATOM 0 H THR B 478 6.450 -8.519 1.768 1.00 0.00 H new ATOM 0 HA THR B 478 4.119 -9.487 3.365 1.00 0.00 H new ATOM 0 HB THR B 478 6.072 -10.597 4.692 1.00 0.00 H new ATOM 0 HG1 THR B 478 7.030 -10.737 1.949 1.00 0.00 H new ATOM 0 HG21 THR B 478 5.927 -12.655 3.337 1.00 0.00 H new ATOM 0 HG22 THR B 478 4.323 -11.897 3.483 1.00 0.00 H new ATOM 0 HG23 THR B 478 5.255 -11.726 1.976 1.00 0.00 H new ATOM 1435 N GLU B 479 5.047 -8.282 5.461 1.00 0.00 N ATOM 1436 CA GLU B 479 5.236 -7.258 6.474 1.00 0.00 C ATOM 1437 C GLU B 479 6.057 -7.810 7.641 1.00 0.00 C ATOM 1438 O GLU B 479 5.944 -8.987 7.982 1.00 0.00 O ATOM 1439 CB GLU B 479 3.892 -6.711 6.959 1.00 0.00 C ATOM 1440 CG GLU B 479 3.984 -5.213 7.257 1.00 0.00 C ATOM 1441 CD GLU B 479 3.721 -4.932 8.738 1.00 0.00 C ATOM 1442 OE1 GLU B 479 2.769 -5.542 9.271 1.00 0.00 O ATOM 1443 OE2 GLU B 479 4.477 -4.113 9.303 1.00 0.00 O ATOM 0 H GLU B 479 4.593 -9.133 5.794 1.00 0.00 H new ATOM 0 HA GLU B 479 5.787 -6.431 6.027 1.00 0.00 H new ATOM 0 HB2 GLU B 479 3.129 -6.888 6.201 1.00 0.00 H new ATOM 0 HB3 GLU B 479 3.581 -7.245 7.857 1.00 0.00 H new ATOM 0 HG2 GLU B 479 4.972 -4.844 6.983 1.00 0.00 H new ATOM 0 HG3 GLU B 479 3.261 -4.672 6.646 1.00 0.00 H new ATOM 1450 N ARG B 480 6.865 -6.935 8.221 1.00 0.00 N ATOM 1451 CA ARG B 480 7.704 -7.320 9.343 1.00 0.00 C ATOM 1452 C ARG B 480 6.945 -7.140 10.660 1.00 0.00 C ATOM 1453 O ARG B 480 6.429 -6.059 10.940 1.00 0.00 O ATOM 1454 CB ARG B 480 8.987 -6.488 9.383 1.00 0.00 C ATOM 1455 CG ARG B 480 9.798 -6.669 8.099 1.00 0.00 C ATOM 1456 CD ARG B 480 11.300 -6.631 8.388 1.00 0.00 C ATOM 1457 NE ARG B 480 11.963 -5.657 7.494 1.00 0.00 N ATOM 1458 CZ ARG B 480 12.040 -4.342 7.741 1.00 0.00 C ATOM 1459 NH1 ARG B 480 11.495 -3.836 8.855 1.00 0.00 N ATOM 1460 NH2 ARG B 480 12.662 -3.533 6.873 1.00 0.00 N ATOM 0 H ARG B 480 6.957 -5.960 7.935 1.00 0.00 H new ATOM 0 HA ARG B 480 7.970 -8.369 9.214 1.00 0.00 H new ATOM 0 HB2 ARG B 480 8.738 -5.435 9.515 1.00 0.00 H new ATOM 0 HB3 ARG B 480 9.589 -6.783 10.242 1.00 0.00 H new ATOM 0 HG2 ARG B 480 9.538 -7.619 7.632 1.00 0.00 H new ATOM 0 HG3 ARG B 480 9.541 -5.883 7.389 1.00 0.00 H new ATOM 0 HD2 ARG B 480 11.472 -6.357 9.429 1.00 0.00 H new ATOM 0 HD3 ARG B 480 11.732 -7.622 8.244 1.00 0.00 H new ATOM 0 HE ARG B 480 12.388 -6.008 6.636 1.00 0.00 H new ATOM 0 HH11 ARG B 480 11.021 -4.452 9.516 1.00 0.00 H new ATOM 0 HH12 ARG B 480 11.554 -2.835 9.042 1.00 0.00 H new ATOM 0 HH21 ARG B 480 13.077 -3.918 6.024 1.00 0.00 H new ATOM 0 HH22 ARG B 480 12.721 -2.532 7.061 1.00 0.00 H new ATOM 1474 N VAL B 481 6.902 -8.214 11.434 1.00 0.00 N ATOM 1475 CA VAL B 481 6.215 -8.188 12.714 1.00 0.00 C ATOM 1476 C VAL B 481 7.244 -8.041 13.837 1.00 0.00 C ATOM 1477 O VAL B 481 8.232 -8.773 13.878 1.00 0.00 O ATOM 1478 CB VAL B 481 5.340 -9.434 12.863 1.00 0.00 C ATOM 1479 CG1 VAL B 481 4.505 -9.367 14.144 1.00 0.00 C ATOM 1480 CG2 VAL B 481 4.447 -9.628 11.636 1.00 0.00 C ATOM 0 H VAL B 481 7.332 -9.109 11.199 1.00 0.00 H new ATOM 0 HA VAL B 481 5.546 -7.329 12.772 1.00 0.00 H new ATOM 0 HB VAL B 481 5.999 -10.299 12.937 1.00 0.00 H new ATOM 0 HG11 VAL B 481 3.892 -10.265 14.226 1.00 0.00 H new ATOM 0 HG12 VAL B 481 5.167 -9.300 15.007 1.00 0.00 H new ATOM 0 HG13 VAL B 481 3.860 -8.489 14.112 1.00 0.00 H new ATOM 0 HG21 VAL B 481 3.836 -10.521 11.768 1.00 0.00 H new ATOM 0 HG22 VAL B 481 3.800 -8.759 11.516 1.00 0.00 H new ATOM 0 HG23 VAL B 481 5.069 -9.742 10.748 1.00 0.00 H new ATOM 1490 N PRO B 482 6.969 -7.066 14.744 1.00 0.00 N ATOM 1491 CA PRO B 482 7.860 -6.813 15.864 1.00 0.00 C ATOM 1492 C PRO B 482 7.716 -7.897 16.934 1.00 0.00 C ATOM 1493 O PRO B 482 6.643 -8.476 17.097 1.00 0.00 O ATOM 1494 CB PRO B 482 7.479 -5.430 16.365 1.00 0.00 C ATOM 1495 CG PRO B 482 6.090 -5.153 15.811 1.00 0.00 C ATOM 1496 CD PRO B 482 5.808 -6.182 14.728 1.00 0.00 C ATOM 0 HA PRO B 482 8.912 -6.843 15.580 1.00 0.00 H new ATOM 0 HB2 PRO B 482 7.479 -5.396 17.454 1.00 0.00 H new ATOM 0 HB3 PRO B 482 8.193 -4.680 16.023 1.00 0.00 H new ATOM 0 HG2 PRO B 482 5.343 -5.217 16.602 1.00 0.00 H new ATOM 0 HG3 PRO B 482 6.036 -4.144 15.403 1.00 0.00 H new ATOM 0 HD2 PRO B 482 4.889 -6.731 14.934 1.00 0.00 H new ATOM 0 HD3 PRO B 482 5.685 -5.708 13.754 1.00 0.00 H new TER 1504 PRO B 482