USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 502 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 12 ASN : amide:sc= 0.424 K(o=0.78,f=-0.021) USER MOD Set 1.2: A 44 SER OG : rot -147:sc= 0.356 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 150:sc=-0.00666 (180deg=-0.327) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 10 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.66) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.6) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.503) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.8!) USER MOD Single : A 27 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.77) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.044) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.191 K(o=-0.19,f=-5.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 130:sc= 0.527 USER MOD Single : A 43 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.19) USER MOD Single : A 45 ASN : amide:sc= -0.672 X(o=-0.67,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 133:sc= 0.579 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00801) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -18.294 -6.484 -7.222 1.00 0.00 N ATOM 2 CA GLN A 1 -17.275 -5.817 -6.389 1.00 0.00 C ATOM 3 C GLN A 1 -16.114 -6.777 -6.062 1.00 0.00 C ATOM 4 O GLN A 1 -16.063 -7.321 -4.960 1.00 0.00 O ATOM 5 CB GLN A 1 -17.927 -5.217 -5.123 1.00 0.00 C ATOM 6 CG GLN A 1 -18.867 -6.149 -4.336 1.00 0.00 C ATOM 7 CD GLN A 1 -19.338 -5.484 -3.040 1.00 0.00 C ATOM 8 OE1 GLN A 1 -20.464 -4.997 -2.958 1.00 0.00 O ATOM 9 NE2 GLN A 1 -18.473 -5.456 -2.022 1.00 0.00 N ATOM 0 H1 GLN A 1 -19.229 -6.074 -7.022 1.00 0.00 H new ATOM 0 H2 GLN A 1 -18.064 -6.348 -8.227 1.00 0.00 H new ATOM 0 H3 GLN A 1 -18.309 -7.501 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 1 -16.842 -4.990 -6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -17.134 -4.885 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -18.489 -4.330 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -19.729 -6.406 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -18.351 -7.081 -4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -17.547 -5.871 -2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -18.739 -5.020 -1.139 1.00 0.00 H new ATOM 20 N PRO A 2 -15.160 -6.990 -6.995 1.00 0.00 N ATOM 21 CA PRO A 2 -14.022 -7.887 -6.806 1.00 0.00 C ATOM 22 C PRO A 2 -12.876 -7.211 -6.026 1.00 0.00 C ATOM 23 O PRO A 2 -11.759 -7.098 -6.531 1.00 0.00 O ATOM 24 CB PRO A 2 -13.624 -8.297 -8.232 1.00 0.00 C ATOM 25 CG PRO A 2 -13.899 -7.020 -9.027 1.00 0.00 C ATOM 26 CD PRO A 2 -15.170 -6.483 -8.363 1.00 0.00 C ATOM 0 HA PRO A 2 -14.269 -8.756 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.578 -8.596 -8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.217 -9.137 -8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.074 -6.312 -8.955 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.051 -7.226 -10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.184 -5.393 -8.374 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.059 -6.819 -8.896 1.00 0.00 H new ATOM 34 N LEU A 3 -13.146 -6.774 -4.785 1.00 0.00 N ATOM 35 CA LEU A 3 -12.161 -6.133 -3.914 1.00 0.00 C ATOM 36 C LEU A 3 -11.169 -7.209 -3.440 1.00 0.00 C ATOM 37 O LEU A 3 -11.571 -8.184 -2.803 1.00 0.00 O ATOM 38 CB LEU A 3 -12.855 -5.375 -2.763 1.00 0.00 C ATOM 39 CG LEU A 3 -13.456 -6.157 -1.578 1.00 0.00 C ATOM 40 CD1 LEU A 3 -14.040 -5.147 -0.575 1.00 0.00 C ATOM 41 CD2 LEU A 3 -14.565 -7.139 -1.987 1.00 0.00 C ATOM 0 H LEU A 3 -14.068 -6.860 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.598 -5.372 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.129 -4.672 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.658 -4.784 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.651 -6.751 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.470 -5.682 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.249 -4.486 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.815 -4.556 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.940 -7.653 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.379 -6.591 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.163 -7.870 -2.688 1.00 0.00 H new ATOM 53 N ARG A 4 -9.877 -7.058 -3.774 1.00 0.00 N ATOM 54 CA ARG A 4 -8.838 -8.025 -3.418 1.00 0.00 C ATOM 55 C ARG A 4 -8.499 -8.013 -1.925 1.00 0.00 C ATOM 56 O ARG A 4 -8.594 -6.985 -1.254 1.00 0.00 O ATOM 57 CB ARG A 4 -7.579 -7.807 -4.278 1.00 0.00 C ATOM 58 CG ARG A 4 -6.821 -6.514 -3.942 1.00 0.00 C ATOM 59 CD ARG A 4 -5.601 -6.309 -4.851 1.00 0.00 C ATOM 60 NE ARG A 4 -5.982 -6.120 -6.259 1.00 0.00 N ATOM 61 CZ ARG A 4 -5.146 -5.772 -7.254 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.836 -5.582 -7.030 1.00 0.00 N ATOM 63 NH2 ARG A 4 -5.633 -5.607 -8.492 1.00 0.00 N ATOM 0 H ARG A 4 -9.527 -6.257 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.240 -9.016 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.908 -8.656 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.866 -7.787 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.494 -5.663 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.497 -6.544 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.037 -5.441 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.939 -7.171 -4.768 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.962 -6.265 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.457 -5.701 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.220 -5.318 -7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.628 -5.745 -8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.009 -5.343 -9.255 1.00 0.00 H new ATOM 77 N LYS A 5 -8.096 -9.190 -1.426 1.00 0.00 N ATOM 78 CA LYS A 5 -7.695 -9.437 -0.044 1.00 0.00 C ATOM 79 C LYS A 5 -6.313 -8.858 0.263 1.00 0.00 C ATOM 80 O LYS A 5 -5.975 -8.653 1.430 1.00 0.00 O ATOM 81 CB LYS A 5 -7.777 -10.959 0.211 1.00 0.00 C ATOM 82 CG LYS A 5 -7.342 -11.448 1.603 1.00 0.00 C ATOM 83 CD LYS A 5 -8.251 -10.915 2.718 1.00 0.00 C ATOM 84 CE LYS A 5 -7.752 -11.309 4.116 1.00 0.00 C ATOM 85 NZ LYS A 5 -7.776 -12.767 4.329 1.00 0.00 N ATOM 0 H LYS A 5 -8.040 -10.029 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.372 -8.923 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.806 -11.278 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.162 -11.463 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.349 -12.538 1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.316 -11.133 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.309 -9.829 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.261 -11.298 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.735 -10.941 4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.371 -10.824 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.496 -12.980 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.737 -13.127 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.113 -13.225 3.672 1.00 0.00 H new ATOM 99 N LEU A 6 -5.529 -8.565 -0.781 1.00 0.00 N ATOM 100 CA LEU A 6 -4.207 -7.973 -0.661 1.00 0.00 C ATOM 101 C LEU A 6 -4.264 -6.591 -0.008 1.00 0.00 C ATOM 102 O LEU A 6 -3.294 -6.152 0.609 1.00 0.00 O ATOM 103 CB LEU A 6 -3.560 -7.857 -2.051 1.00 0.00 C ATOM 104 CG LEU A 6 -2.055 -7.556 -1.957 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.336 -8.771 -1.375 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.482 -7.195 -3.327 1.00 0.00 C ATOM 0 H LEU A 6 -5.808 -8.739 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.608 -8.624 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.711 -8.786 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.054 -7.067 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.904 -6.698 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.268 -8.563 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.729 -8.985 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.497 -9.633 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.416 -6.987 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.629 -8.028 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.991 -6.312 -3.713 1.00 0.00 H new ATOM 118 N CYS A 7 -5.417 -5.924 -0.131 1.00 0.00 N ATOM 119 CA CYS A 7 -5.631 -4.595 0.433 1.00 0.00 C ATOM 120 C CYS A 7 -5.652 -4.606 1.967 1.00 0.00 C ATOM 121 O CYS A 7 -5.600 -3.533 2.568 1.00 0.00 O ATOM 122 CB CYS A 7 -6.929 -4.015 -0.135 1.00 0.00 C ATOM 123 SG CYS A 7 -6.727 -3.286 -1.780 1.00 0.00 S ATOM 0 H CYS A 7 -6.228 -6.295 -0.627 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.791 -3.962 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.680 -4.803 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.309 -3.255 0.548 1.00 0.00 H new ATOM 128 N ILE A 8 -5.711 -5.790 2.598 1.00 0.00 N ATOM 129 CA ILE A 8 -5.732 -5.936 4.049 1.00 0.00 C ATOM 130 C ILE A 8 -4.741 -7.023 4.501 1.00 0.00 C ATOM 131 O ILE A 8 -4.981 -7.701 5.500 1.00 0.00 O ATOM 132 CB ILE A 8 -7.186 -6.160 4.540 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.834 -7.422 3.934 1.00 0.00 C ATOM 134 CG2 ILE A 8 -8.042 -4.918 4.218 1.00 0.00 C ATOM 135 CD1 ILE A 8 -9.205 -7.724 4.557 1.00 0.00 C ATOM 0 H ILE A 8 -5.746 -6.680 2.101 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.390 -5.015 4.521 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.142 -6.315 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.947 -7.290 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.173 -8.276 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.063 -5.080 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.622 -4.047 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.047 -4.749 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.623 -8.621 4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.090 -7.883 5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.876 -6.882 4.385 1.00 0.00 H new ATOM 147 N LEU A 9 -3.612 -7.173 3.781 1.00 0.00 N ATOM 148 CA LEU A 9 -2.557 -8.132 4.105 1.00 0.00 C ATOM 149 C LEU A 9 -1.803 -7.612 5.338 1.00 0.00 C ATOM 150 O LEU A 9 -1.700 -8.286 6.361 1.00 0.00 O ATOM 151 CB LEU A 9 -1.582 -8.323 2.908 1.00 0.00 C ATOM 152 CG LEU A 9 -0.855 -9.693 2.907 1.00 0.00 C ATOM 153 CD1 LEU A 9 0.329 -9.686 1.927 1.00 0.00 C ATOM 154 CD2 LEU A 9 -0.308 -10.120 4.279 1.00 0.00 C ATOM 0 H LEU A 9 -3.412 -6.620 2.948 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.999 -9.106 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.139 -8.217 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.838 -7.527 2.927 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.623 -10.406 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.822 -10.658 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.034 -9.482 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.040 -8.913 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.185 -11.088 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.409 -9.379 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.130 -10.196 4.991 1.00 0.00 H new ATOM 166 N HIS A 10 -1.314 -6.381 5.164 1.00 0.00 N ATOM 167 CA HIS A 10 -0.515 -5.491 6.001 1.00 0.00 C ATOM 168 C HIS A 10 0.740 -5.256 5.156 1.00 0.00 C ATOM 169 O HIS A 10 1.511 -6.190 4.936 1.00 0.00 O ATOM 170 CB HIS A 10 -0.180 -6.046 7.400 1.00 0.00 C ATOM 171 CG HIS A 10 -1.364 -6.177 8.335 1.00 0.00 C ATOM 172 ND1 HIS A 10 -2.442 -5.289 8.295 1.00 0.00 N ATOM 173 CD2 HIS A 10 -1.596 -7.105 9.317 1.00 0.00 C ATOM 174 CE1 HIS A 10 -3.277 -5.720 9.244 1.00 0.00 C ATOM 175 NE2 HIS A 10 -2.818 -6.808 9.883 1.00 0.00 N ATOM 0 H HIS A 10 -1.507 -5.913 4.279 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.062 -4.580 6.244 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.283 -7.026 7.285 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.561 -5.396 7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.943 -7.918 9.596 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.219 -5.245 9.473 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.281 -7.314 10.637 1.00 0.00 H new ATOM 183 N ARG A 11 0.919 -4.021 4.664 1.00 0.00 N ATOM 184 CA ARG A 11 1.997 -3.565 3.806 1.00 0.00 C ATOM 185 C ARG A 11 3.381 -4.134 4.172 1.00 0.00 C ATOM 186 O ARG A 11 3.819 -4.044 5.319 1.00 0.00 O ATOM 187 CB ARG A 11 1.952 -2.026 3.778 1.00 0.00 C ATOM 188 CG ARG A 11 2.558 -1.270 4.972 1.00 0.00 C ATOM 189 CD ARG A 11 1.888 -1.597 6.315 1.00 0.00 C ATOM 190 NE ARG A 11 2.408 -0.746 7.394 1.00 0.00 N ATOM 191 CZ ARG A 11 3.601 -0.890 8.000 1.00 0.00 C ATOM 192 NH1 ARG A 11 4.446 -1.878 7.659 1.00 0.00 N ATOM 193 NH2 ARG A 11 3.954 -0.029 8.964 1.00 0.00 N ATOM 0 H ARG A 11 0.262 -3.270 4.877 1.00 0.00 H new ATOM 0 HA ARG A 11 1.840 -3.957 2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.464 -1.692 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.909 -1.723 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.620 -1.506 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.481 -0.198 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.810 -1.460 6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.057 -2.645 6.562 1.00 0.00 H new ATOM 0 HE ARG A 11 1.814 0.020 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.188 -2.539 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.345 -1.967 8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.321 0.725 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.856 -0.128 9.431 1.00 0.00 H new ATOM 207 N ASN A 12 4.042 -4.749 3.176 1.00 0.00 N ATOM 208 CA ASN A 12 5.368 -5.361 3.251 1.00 0.00 C ATOM 209 C ASN A 12 6.313 -4.717 2.223 1.00 0.00 C ATOM 210 O ASN A 12 6.675 -5.369 1.246 1.00 0.00 O ATOM 211 CB ASN A 12 5.297 -6.901 3.102 1.00 0.00 C ATOM 212 CG ASN A 12 4.144 -7.560 3.866 1.00 0.00 C ATOM 213 OD1 ASN A 12 3.280 -8.205 3.280 1.00 0.00 O ATOM 214 ND2 ASN A 12 4.149 -7.419 5.194 1.00 0.00 N ATOM 0 H ASN A 12 3.636 -4.834 2.244 1.00 0.00 H new ATOM 0 HA ASN A 12 5.779 -5.170 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.203 -7.147 2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.237 -7.331 3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.418 -7.855 5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.884 -6.875 5.646 1.00 0.00 H new ATOM 221 N PRO A 13 6.723 -3.446 2.424 1.00 0.00 N ATOM 222 CA PRO A 13 7.639 -2.724 1.545 1.00 0.00 C ATOM 223 C PRO A 13 8.971 -3.482 1.489 1.00 0.00 C ATOM 224 O PRO A 13 9.180 -4.310 0.605 1.00 0.00 O ATOM 225 CB PRO A 13 7.733 -1.301 2.127 1.00 0.00 C ATOM 226 CG PRO A 13 7.285 -1.438 3.580 1.00 0.00 C ATOM 227 CD PRO A 13 6.274 -2.575 3.499 1.00 0.00 C ATOM 0 HA PRO A 13 7.307 -2.653 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.750 -0.915 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.093 -0.608 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.117 -1.679 4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.835 -0.519 3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.223 -3.117 4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.274 -2.192 3.297 1.00 0.00 H new ATOM 235 N GLY A 14 9.848 -3.197 2.449 1.00 0.00 N ATOM 236 CA GLY A 14 11.166 -3.797 2.614 1.00 0.00 C ATOM 237 C GLY A 14 12.293 -2.771 2.720 1.00 0.00 C ATOM 238 O GLY A 14 12.117 -1.611 2.356 1.00 0.00 O ATOM 0 H GLY A 14 9.646 -2.504 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.165 -4.417 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.364 -4.457 1.770 1.00 0.00 H new ATOM 242 N ARG A 15 13.435 -3.211 3.272 1.00 0.00 N ATOM 243 CA ARG A 15 14.663 -2.432 3.437 1.00 0.00 C ATOM 244 C ARG A 15 15.540 -2.644 2.194 1.00 0.00 C ATOM 245 O ARG A 15 15.776 -3.792 1.811 1.00 0.00 O ATOM 246 CB ARG A 15 15.392 -2.861 4.723 1.00 0.00 C ATOM 247 CG ARG A 15 16.649 -2.006 4.974 1.00 0.00 C ATOM 248 CD ARG A 15 17.360 -2.383 6.281 1.00 0.00 C ATOM 249 NE ARG A 15 16.528 -2.103 7.462 1.00 0.00 N ATOM 250 CZ ARG A 15 16.881 -2.335 8.739 1.00 0.00 C ATOM 251 NH1 ARG A 15 18.075 -2.867 9.047 1.00 0.00 N ATOM 252 NH2 ARG A 15 16.024 -2.030 9.724 1.00 0.00 N ATOM 0 H ARG A 15 13.527 -4.162 3.630 1.00 0.00 H new ATOM 0 HA ARG A 15 14.433 -1.371 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.715 -2.772 5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.674 -3.911 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 17.340 -2.126 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 15 16.369 -0.953 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.617 -3.442 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 15 18.296 -1.829 6.357 1.00 0.00 H new ATOM 0 HE ARG A 15 15.606 -1.699 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 15 18.735 -3.103 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 15 18.322 -3.035 10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.114 -1.626 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 15 16.282 -2.202 10.696 1.00 0.00 H new ATOM 266 N CYS A 16 16.041 -1.563 1.576 1.00 0.00 N ATOM 267 CA CYS A 16 16.888 -1.650 0.381 1.00 0.00 C ATOM 268 C CYS A 16 17.737 -0.392 0.125 1.00 0.00 C ATOM 269 O CYS A 16 18.503 -0.374 -0.838 1.00 0.00 O ATOM 270 CB CYS A 16 15.986 -1.928 -0.838 1.00 0.00 C ATOM 271 SG CYS A 16 16.827 -2.558 -2.317 1.00 0.00 S ATOM 0 H CYS A 16 15.870 -0.608 1.891 1.00 0.00 H new ATOM 0 HA CYS A 16 17.598 -2.460 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.222 -2.647 -0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.470 -1.005 -1.102 1.00 0.00 H new ATOM 276 N TYR A 17 17.629 0.648 0.968 1.00 0.00 N ATOM 277 CA TYR A 17 18.353 1.917 0.831 1.00 0.00 C ATOM 278 C TYR A 17 18.014 2.558 -0.532 1.00 0.00 C ATOM 279 O TYR A 17 18.891 3.007 -1.268 1.00 0.00 O ATOM 280 CB TYR A 17 19.867 1.707 1.066 1.00 0.00 C ATOM 281 CG TYR A 17 20.204 0.753 2.207 1.00 0.00 C ATOM 282 CD1 TYR A 17 19.985 1.153 3.545 1.00 0.00 C ATOM 283 CD2 TYR A 17 20.689 -0.548 1.938 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.213 0.248 4.603 1.00 0.00 C ATOM 285 CE2 TYR A 17 20.917 -1.453 2.996 1.00 0.00 C ATOM 286 CZ TYR A 17 20.675 -1.057 4.330 1.00 0.00 C ATOM 287 OH TYR A 17 20.888 -1.933 5.356 1.00 0.00 O ATOM 0 H TYR A 17 17.019 0.626 1.785 1.00 0.00 H new ATOM 0 HA TYR A 17 18.033 2.622 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.315 1.327 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.328 2.674 1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.642 2.155 3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 17 20.885 -0.850 0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.034 0.554 5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 17 21.277 -2.449 2.786 1.00 0.00 H new ATOM 0 HH TYR A 17 21.204 -2.788 4.996 1.00 0.00 H new ATOM 297 N GLN A 18 16.710 2.575 -0.843 1.00 0.00 N ATOM 298 CA GLN A 18 16.072 3.081 -2.054 1.00 0.00 C ATOM 299 C GLN A 18 14.843 3.910 -1.639 1.00 0.00 C ATOM 300 O GLN A 18 14.680 4.262 -0.468 1.00 0.00 O ATOM 301 CB GLN A 18 15.859 1.866 -2.987 1.00 0.00 C ATOM 302 CG GLN A 18 15.419 2.171 -4.434 1.00 0.00 C ATOM 303 CD GLN A 18 15.672 1.019 -5.418 1.00 0.00 C ATOM 304 OE1 GLN A 18 16.308 0.019 -5.089 1.00 0.00 O ATOM 305 NE2 GLN A 18 15.163 1.158 -6.646 1.00 0.00 N ATOM 0 H GLN A 18 16.019 2.201 -0.192 1.00 0.00 H new ATOM 0 HA GLN A 18 16.663 3.784 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.790 1.300 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.110 1.216 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.356 2.411 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.947 3.058 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.640 1.999 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.298 0.423 -7.340 1.00 0.00 H new ATOM 314 N LYS A 19 13.994 4.274 -2.602 1.00 0.00 N ATOM 315 CA LYS A 19 12.822 5.080 -2.452 1.00 0.00 C ATOM 316 C LYS A 19 11.927 4.723 -3.664 1.00 0.00 C ATOM 317 O LYS A 19 12.326 4.765 -4.828 1.00 0.00 O ATOM 318 CB LYS A 19 13.251 6.551 -2.508 1.00 0.00 C ATOM 319 CG LYS A 19 12.384 7.668 -1.927 1.00 0.00 C ATOM 320 CD LYS A 19 12.131 7.498 -0.425 1.00 0.00 C ATOM 321 CE LYS A 19 11.549 8.792 0.163 1.00 0.00 C ATOM 322 NZ LYS A 19 11.305 8.685 1.611 1.00 0.00 N ATOM 0 H LYS A 19 14.135 3.983 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 19 12.293 4.912 -1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.220 6.615 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.413 6.792 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.869 8.628 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.429 7.692 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.442 6.671 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.062 7.246 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.236 9.617 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.614 9.031 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.243 9.637 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.413 8.177 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.087 8.165 2.057 1.00 0.00 H new ATOM 336 N ILE A 20 10.720 4.361 -3.301 1.00 0.00 N ATOM 337 CA ILE A 20 9.527 3.991 -4.080 1.00 0.00 C ATOM 338 C ILE A 20 8.311 4.395 -3.224 1.00 0.00 C ATOM 339 O ILE A 20 7.487 3.543 -2.907 1.00 0.00 O ATOM 340 CB ILE A 20 9.423 2.477 -4.492 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.616 1.827 -5.227 1.00 0.00 C ATOM 342 CG2 ILE A 20 8.197 2.266 -5.417 1.00 0.00 C ATOM 343 CD1 ILE A 20 10.919 2.379 -6.623 1.00 0.00 C ATOM 0 H ILE A 20 10.506 4.307 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 20 9.579 4.513 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 20 9.366 1.990 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.506 1.944 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.426 0.757 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.130 1.215 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.289 2.558 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.308 2.876 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.774 1.851 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.051 2.237 -7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.148 3.442 -6.552 1.00 0.00 H new ATOM 355 N PRO A 21 8.142 5.666 -2.812 1.00 0.00 N ATOM 356 CA PRO A 21 7.002 6.048 -2.006 1.00 0.00 C ATOM 357 C PRO A 21 5.704 5.886 -2.776 1.00 0.00 C ATOM 358 O PRO A 21 5.571 6.287 -3.933 1.00 0.00 O ATOM 359 CB PRO A 21 7.201 7.475 -1.540 1.00 0.00 C ATOM 360 CG PRO A 21 8.281 8.013 -2.483 1.00 0.00 C ATOM 361 CD PRO A 21 9.076 6.765 -2.876 1.00 0.00 C ATOM 0 HA PRO A 21 6.929 5.392 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.280 8.053 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.521 7.516 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.844 8.500 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.913 8.751 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.492 6.866 -3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.914 6.606 -2.197 1.00 0.00 H new ATOM 369 N ALA A 22 4.766 5.275 -2.064 1.00 0.00 N ATOM 370 CA ALA A 22 3.421 4.980 -2.566 1.00 0.00 C ATOM 371 C ALA A 22 2.383 5.199 -1.454 1.00 0.00 C ATOM 372 O ALA A 22 2.606 6.045 -0.588 1.00 0.00 O ATOM 373 CB ALA A 22 3.455 3.562 -3.166 1.00 0.00 C ATOM 0 H ALA A 22 4.916 4.963 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 22 3.110 5.658 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.468 3.306 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.182 3.528 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.740 2.847 -2.394 1.00 0.00 H new ATOM 379 N PHE A 23 1.235 4.497 -1.493 1.00 0.00 N ATOM 380 CA PHE A 23 0.165 4.589 -0.495 1.00 0.00 C ATOM 381 C PHE A 23 -0.247 3.182 -0.012 1.00 0.00 C ATOM 382 O PHE A 23 -0.057 2.184 -0.708 1.00 0.00 O ATOM 383 CB PHE A 23 -1.111 5.222 -1.083 1.00 0.00 C ATOM 384 CG PHE A 23 -1.079 6.659 -1.587 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.171 7.062 -2.589 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.988 7.608 -1.060 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.036 8.428 -2.917 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.867 8.972 -1.397 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.879 9.385 -2.314 1.00 0.00 C ATOM 0 H PHE A 23 1.025 3.835 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 23 0.561 5.199 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.433 4.593 -1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.886 5.163 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.423 6.323 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.777 7.286 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.713 8.741 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.530 9.699 -0.953 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.768 10.432 -2.554 1.00 0.00 H new ATOM 399 N TYR A 24 -0.875 3.144 1.170 1.00 0.00 N ATOM 400 CA TYR A 24 -1.400 1.952 1.850 1.00 0.00 C ATOM 401 C TYR A 24 -2.714 2.285 2.581 1.00 0.00 C ATOM 402 O TYR A 24 -2.825 3.341 3.200 1.00 0.00 O ATOM 403 CB TYR A 24 -0.359 1.346 2.812 1.00 0.00 C ATOM 404 CG TYR A 24 -0.293 1.918 4.228 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.048 3.294 4.448 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.478 1.063 5.339 1.00 0.00 C ATOM 407 CE1 TYR A 24 0.148 3.779 5.757 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.326 1.557 6.652 1.00 0.00 C ATOM 409 CZ TYR A 24 0.005 2.912 6.862 1.00 0.00 C ATOM 410 OH TYR A 24 0.175 3.382 8.132 1.00 0.00 O ATOM 0 H TYR A 24 -1.040 3.994 1.709 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.613 1.197 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.554 0.276 2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.625 1.458 2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.011 3.975 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.737 0.026 5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.408 4.815 5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.463 0.898 7.496 1.00 0.00 H new ATOM 0 HH TYR A 24 0.039 2.652 8.772 1.00 0.00 H new ATOM 420 N TYR A 25 -3.676 1.348 2.565 1.00 0.00 N ATOM 421 CA TYR A 25 -5.007 1.483 3.161 1.00 0.00 C ATOM 422 C TYR A 25 -4.982 1.265 4.680 1.00 0.00 C ATOM 423 O TYR A 25 -4.725 0.145 5.124 1.00 0.00 O ATOM 424 CB TYR A 25 -5.949 0.464 2.474 1.00 0.00 C ATOM 425 CG TYR A 25 -7.337 0.258 3.076 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.999 1.297 3.770 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.980 -0.995 2.936 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.245 1.058 4.385 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.258 -1.212 3.494 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.877 -0.195 4.249 1.00 0.00 C ATOM 431 OH TYR A 25 -11.093 -0.410 4.831 1.00 0.00 O ATOM 0 H TYR A 25 -3.538 0.442 2.118 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.368 2.499 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.077 0.773 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.444 -0.502 2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.549 2.277 3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.489 -1.792 2.398 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.718 1.838 4.963 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.761 -2.156 3.343 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.390 -1.324 4.640 1.00 0.00 H new ATOM 441 N ASN A 26 -5.262 2.323 5.475 1.00 0.00 N ATOM 442 CA ASN A 26 -5.318 2.216 6.925 1.00 0.00 C ATOM 443 C ASN A 26 -6.660 1.625 7.352 1.00 0.00 C ATOM 444 O ASN A 26 -7.707 2.238 7.133 1.00 0.00 O ATOM 445 CB ASN A 26 -5.122 3.575 7.624 1.00 0.00 C ATOM 446 CG ASN A 26 -4.046 4.513 7.085 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.124 5.715 7.331 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.023 3.982 6.408 1.00 0.00 N ATOM 0 H ASN A 26 -5.452 3.260 5.120 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.499 1.563 7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.073 4.106 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.900 3.381 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.267 4.580 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.998 2.979 6.226 1.00 0.00 H new ATOM 455 N GLN A 27 -6.623 0.442 7.982 1.00 0.00 N ATOM 456 CA GLN A 27 -7.804 -0.247 8.488 1.00 0.00 C ATOM 457 C GLN A 27 -8.140 0.235 9.914 1.00 0.00 C ATOM 458 O GLN A 27 -8.659 -0.531 10.726 1.00 0.00 O ATOM 459 CB GLN A 27 -7.544 -1.764 8.484 1.00 0.00 C ATOM 460 CG GLN A 27 -7.025 -2.307 7.146 1.00 0.00 C ATOM 461 CD GLN A 27 -6.837 -3.824 7.224 1.00 0.00 C ATOM 462 OE1 GLN A 27 -7.807 -4.558 7.404 1.00 0.00 O ATOM 463 NE2 GLN A 27 -5.595 -4.302 7.108 1.00 0.00 N ATOM 0 H GLN A 27 -5.755 -0.065 8.154 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.655 -0.023 7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.821 -2.000 9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.469 -2.281 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.727 -2.061 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.078 -1.829 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.814 -3.663 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.427 -5.306 7.168 1.00 0.00 H new ATOM 472 N LYS A 28 -7.830 1.503 10.213 1.00 0.00 N ATOM 473 CA LYS A 28 -8.062 2.206 11.476 1.00 0.00 C ATOM 474 C LYS A 28 -9.038 3.343 11.168 1.00 0.00 C ATOM 475 O LYS A 28 -9.969 3.637 11.916 1.00 0.00 O ATOM 476 CB LYS A 28 -6.733 2.723 12.060 1.00 0.00 C ATOM 477 CG LYS A 28 -5.659 1.634 12.228 1.00 0.00 C ATOM 478 CD LYS A 28 -6.081 0.518 13.198 1.00 0.00 C ATOM 479 CE LYS A 28 -4.981 -0.540 13.374 1.00 0.00 C ATOM 480 NZ LYS A 28 -4.726 -1.291 12.131 1.00 0.00 N ATOM 0 H LYS A 28 -7.377 2.106 9.526 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.485 1.545 12.233 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.343 3.507 11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.927 3.180 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.437 1.197 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.738 2.092 12.589 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.323 0.953 14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.988 0.040 12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.061 -0.054 13.698 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.270 -1.234 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.052 -2.059 12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.618 -1.693 11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.328 -0.651 11.414 1.00 0.00 H new ATOM 494 N LYS A 29 -8.775 3.943 10.010 1.00 0.00 N ATOM 495 CA LYS A 29 -9.454 5.000 9.324 1.00 0.00 C ATOM 496 C LYS A 29 -10.396 4.340 8.365 1.00 0.00 C ATOM 497 O LYS A 29 -11.315 3.640 8.797 1.00 0.00 O ATOM 498 CB LYS A 29 -8.354 5.897 8.725 1.00 0.00 C ATOM 499 CG LYS A 29 -8.788 7.169 7.967 1.00 0.00 C ATOM 500 CD LYS A 29 -9.666 8.130 8.786 1.00 0.00 C ATOM 501 CE LYS A 29 -8.982 8.615 10.072 1.00 0.00 C ATOM 502 NZ LYS A 29 -9.792 9.633 10.764 1.00 0.00 N ATOM 0 H LYS A 29 -7.963 3.644 9.470 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.073 5.660 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.693 6.201 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.761 5.288 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.896 7.703 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.333 6.874 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.924 8.992 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.600 7.631 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.814 7.768 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.003 9.030 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.301 9.939 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.931 10.451 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.717 9.229 11.016 1.00 0.00 H new ATOM 516 N LYS A 30 -10.139 4.543 7.080 1.00 0.00 N ATOM 517 CA LYS A 30 -11.014 4.105 6.030 1.00 0.00 C ATOM 518 C LYS A 30 -10.500 4.591 4.656 1.00 0.00 C ATOM 519 O LYS A 30 -11.310 4.745 3.741 1.00 0.00 O ATOM 520 CB LYS A 30 -12.411 4.684 6.342 1.00 0.00 C ATOM 521 CG LYS A 30 -12.366 6.188 6.568 1.00 0.00 C ATOM 522 CD LYS A 30 -13.733 6.845 6.809 1.00 0.00 C ATOM 523 CE LYS A 30 -14.421 6.343 8.087 1.00 0.00 C ATOM 524 NZ LYS A 30 -15.660 7.089 8.364 1.00 0.00 N ATOM 0 H LYS A 30 -9.304 5.024 6.746 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.055 3.017 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.088 4.461 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.816 4.196 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.724 6.393 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.901 6.658 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.605 7.926 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.380 6.650 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.649 5.282 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.739 6.443 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.098 6.724 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.438 8.098 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.320 6.973 7.569 1.00 0.00 H new ATOM 538 N GLN A 31 -9.182 4.829 4.482 1.00 0.00 N ATOM 539 CA GLN A 31 -8.637 5.362 3.228 1.00 0.00 C ATOM 540 C GLN A 31 -7.124 5.107 3.130 1.00 0.00 C ATOM 541 O GLN A 31 -6.495 4.682 4.105 1.00 0.00 O ATOM 542 CB GLN A 31 -8.996 6.866 3.178 1.00 0.00 C ATOM 543 CG GLN A 31 -8.524 7.597 1.915 1.00 0.00 C ATOM 544 CD GLN A 31 -9.165 8.980 1.762 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.856 9.245 0.781 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.928 9.873 2.728 1.00 0.00 N ATOM 0 H GLN A 31 -8.479 4.658 5.201 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.070 4.857 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.078 6.970 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.563 7.358 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.440 7.704 1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.760 6.992 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.349 9.617 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.326 10.810 2.665 1.00 0.00 H new ATOM 555 N CYS A 32 -6.532 5.367 1.948 1.00 0.00 N ATOM 556 CA CYS A 32 -5.126 5.149 1.701 1.00 0.00 C ATOM 557 C CYS A 32 -4.299 6.359 2.104 1.00 0.00 C ATOM 558 O CYS A 32 -4.455 7.450 1.556 1.00 0.00 O ATOM 559 CB CYS A 32 -4.902 4.833 0.216 1.00 0.00 C ATOM 560 SG CYS A 32 -3.836 3.444 -0.250 1.00 0.00 S ATOM 0 H CYS A 32 -7.036 5.737 1.142 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.802 4.303 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.880 4.658 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.493 5.729 -0.251 1.00 0.00 H new ATOM 565 N GLU A 33 -3.434 6.154 3.094 1.00 0.00 N ATOM 566 CA GLU A 33 -2.472 7.146 3.529 1.00 0.00 C ATOM 567 C GLU A 33 -1.262 6.854 2.647 1.00 0.00 C ATOM 568 O GLU A 33 -1.307 6.048 1.722 1.00 0.00 O ATOM 569 CB GLU A 33 -2.145 6.966 5.016 1.00 0.00 C ATOM 570 CG GLU A 33 -2.048 8.240 5.867 1.00 0.00 C ATOM 571 CD GLU A 33 -0.822 9.102 5.573 1.00 0.00 C ATOM 572 OE1 GLU A 33 0.298 8.596 5.808 1.00 0.00 O ATOM 573 OE2 GLU A 33 -1.018 10.246 5.106 1.00 0.00 O ATOM 0 H GLU A 33 -3.386 5.281 3.619 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.826 8.173 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.907 6.322 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.196 6.434 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.945 8.838 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.036 7.959 6.920 1.00 0.00 H new ATOM 580 N GLY A 34 -0.145 7.475 2.967 1.00 0.00 N ATOM 581 CA GLY A 34 1.081 7.266 2.203 1.00 0.00 C ATOM 582 C GLY A 34 2.026 6.345 2.958 1.00 0.00 C ATOM 583 O GLY A 34 2.044 6.385 4.191 1.00 0.00 O ATOM 0 H GLY A 34 -0.055 8.127 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.842 6.835 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.568 8.223 2.016 1.00 0.00 H new ATOM 587 N PHE A 35 2.805 5.513 2.243 1.00 0.00 N ATOM 588 CA PHE A 35 3.735 4.619 2.919 1.00 0.00 C ATOM 589 C PHE A 35 5.021 4.647 2.084 1.00 0.00 C ATOM 590 O PHE A 35 4.972 4.590 0.851 1.00 0.00 O ATOM 591 CB PHE A 35 3.179 3.185 3.046 1.00 0.00 C ATOM 592 CG PHE A 35 3.300 2.165 1.924 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.801 2.424 0.638 1.00 0.00 C ATOM 594 CD2 PHE A 35 3.929 0.924 2.187 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.856 1.429 -0.360 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.008 -0.064 1.182 1.00 0.00 C ATOM 597 CZ PHE A 35 3.464 0.186 -0.092 1.00 0.00 C ATOM 0 H PHE A 35 2.804 5.448 1.225 1.00 0.00 H new ATOM 0 HA PHE A 35 3.912 4.947 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.651 2.743 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.116 3.280 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.373 3.389 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.351 0.732 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.430 1.620 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.485 -1.010 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.512 -0.571 -0.861 1.00 0.00 H new ATOM 607 N THR A 36 6.173 4.752 2.755 1.00 0.00 N ATOM 608 CA THR A 36 7.467 4.787 2.076 1.00 0.00 C ATOM 609 C THR A 36 7.888 3.344 1.818 1.00 0.00 C ATOM 610 O THR A 36 7.938 2.542 2.752 1.00 0.00 O ATOM 611 CB THR A 36 8.548 5.525 2.888 1.00 0.00 C ATOM 612 OG1 THR A 36 8.137 6.852 3.156 1.00 0.00 O ATOM 613 CG2 THR A 36 9.856 5.561 2.073 1.00 0.00 C ATOM 0 H THR A 36 6.232 4.814 3.771 1.00 0.00 H new ATOM 0 HA THR A 36 7.362 5.343 1.144 1.00 0.00 H new ATOM 0 HB THR A 36 8.704 5.000 3.831 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.831 7.311 3.674 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.625 6.082 2.643 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.185 4.542 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.684 6.084 1.132 1.00 0.00 H new ATOM 621 N TRP A 37 8.195 3.025 0.554 1.00 0.00 N ATOM 622 CA TRP A 37 8.618 1.690 0.150 1.00 0.00 C ATOM 623 C TRP A 37 10.022 1.842 -0.441 1.00 0.00 C ATOM 624 O TRP A 37 10.193 2.600 -1.385 1.00 0.00 O ATOM 625 CB TRP A 37 7.492 1.137 -0.736 1.00 0.00 C ATOM 626 CG TRP A 37 7.746 0.028 -1.700 1.00 0.00 C ATOM 627 CD1 TRP A 37 6.996 -0.136 -2.809 1.00 0.00 C ATOM 628 CD2 TRP A 37 8.766 -1.021 -1.749 1.00 0.00 C ATOM 629 NE1 TRP A 37 7.530 -1.125 -3.590 1.00 0.00 N ATOM 630 CE2 TRP A 37 8.669 -1.642 -3.031 1.00 0.00 C ATOM 631 CE3 TRP A 37 9.784 -1.504 -0.889 1.00 0.00 C ATOM 632 CZ2 TRP A 37 9.587 -2.598 -3.480 1.00 0.00 C ATOM 633 CZ3 TRP A 37 10.622 -2.574 -1.277 1.00 0.00 C ATOM 634 CH2 TRP A 37 10.490 -3.149 -2.558 1.00 0.00 C ATOM 0 H TRP A 37 8.155 3.693 -0.216 1.00 0.00 H new ATOM 0 HA TRP A 37 8.739 0.942 0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.696 0.804 -0.070 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.097 1.975 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.106 0.429 -3.046 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.131 -1.437 -4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 37 9.922 -1.046 0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.600 -2.906 -4.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.365 -2.952 -0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.082 -4.011 -2.829 1.00 0.00 H new ATOM 645 N SER A 38 11.036 1.166 0.134 1.00 0.00 N ATOM 646 CA SER A 38 12.432 1.271 -0.287 1.00 0.00 C ATOM 647 C SER A 38 12.652 0.859 -1.751 1.00 0.00 C ATOM 648 O SER A 38 12.672 1.746 -2.596 1.00 0.00 O ATOM 649 CB SER A 38 13.344 0.509 0.688 1.00 0.00 C ATOM 650 OG SER A 38 14.676 0.943 0.542 1.00 0.00 O ATOM 0 H SER A 38 10.898 0.524 0.915 1.00 0.00 H new ATOM 0 HA SER A 38 12.708 2.325 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.010 0.671 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.279 -0.562 0.498 1.00 0.00 H new ATOM 0 HG SER A 38 15.047 1.164 1.422 1.00 0.00 H new ATOM 656 N GLY A 39 12.834 -0.434 -2.080 1.00 0.00 N ATOM 657 CA GLY A 39 13.068 -0.849 -3.466 1.00 0.00 C ATOM 658 C GLY A 39 13.202 -2.358 -3.710 1.00 0.00 C ATOM 659 O GLY A 39 12.931 -2.802 -4.825 1.00 0.00 O ATOM 0 H GLY A 39 12.823 -1.200 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.248 -0.475 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.977 -0.363 -3.820 1.00 0.00 H new ATOM 663 N CYS A 40 13.619 -3.145 -2.704 1.00 0.00 N ATOM 664 CA CYS A 40 13.774 -4.598 -2.796 1.00 0.00 C ATOM 665 C CYS A 40 13.352 -5.239 -1.463 1.00 0.00 C ATOM 666 O CYS A 40 13.902 -4.920 -0.410 1.00 0.00 O ATOM 667 CB CYS A 40 15.201 -4.990 -3.226 1.00 0.00 C ATOM 668 SG CYS A 40 16.618 -4.580 -2.160 1.00 0.00 S ATOM 0 H CYS A 40 13.862 -2.775 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 40 13.119 -4.984 -3.577 1.00 0.00 H new ATOM 0 HB2 CYS A 40 15.209 -6.070 -3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 40 15.384 -4.532 -4.198 1.00 0.00 H new ATOM 673 N GLY A 41 12.357 -6.139 -1.521 1.00 0.00 N ATOM 674 CA GLY A 41 11.807 -6.854 -0.377 1.00 0.00 C ATOM 675 C GLY A 41 10.479 -7.518 -0.757 1.00 0.00 C ATOM 676 O GLY A 41 10.406 -8.741 -0.873 1.00 0.00 O ATOM 0 H GLY A 41 11.904 -6.391 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.515 -7.609 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.653 -6.164 0.453 1.00 0.00 H new ATOM 680 N GLY A 42 9.434 -6.698 -0.946 1.00 0.00 N ATOM 681 CA GLY A 42 8.083 -7.113 -1.310 1.00 0.00 C ATOM 682 C GLY A 42 7.215 -5.901 -1.676 1.00 0.00 C ATOM 683 O GLY A 42 7.742 -4.836 -2.004 1.00 0.00 O ATOM 0 H GLY A 42 9.517 -5.687 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.125 -7.802 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.628 -7.653 -0.479 1.00 0.00 H new ATOM 687 N ASN A 43 5.881 -6.062 -1.616 1.00 0.00 N ATOM 688 CA ASN A 43 4.914 -5.007 -1.929 1.00 0.00 C ATOM 689 C ASN A 43 3.731 -5.114 -0.955 1.00 0.00 C ATOM 690 O ASN A 43 3.872 -4.799 0.225 1.00 0.00 O ATOM 691 CB ASN A 43 4.487 -5.038 -3.424 1.00 0.00 C ATOM 692 CG ASN A 43 5.659 -5.110 -4.411 1.00 0.00 C ATOM 693 OD1 ASN A 43 5.864 -6.133 -5.061 1.00 0.00 O ATOM 694 ND2 ASN A 43 6.433 -4.029 -4.530 1.00 0.00 N ATOM 0 H ASN A 43 5.443 -6.942 -1.345 1.00 0.00 H new ATOM 0 HA ASN A 43 5.378 -4.030 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.836 -5.897 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.898 -4.147 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.223 -4.036 -5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.235 -3.196 -3.975 1.00 0.00 H new ATOM 701 N SER A 44 2.580 -5.560 -1.471 1.00 0.00 N ATOM 702 CA SER A 44 1.278 -5.766 -0.882 1.00 0.00 C ATOM 703 C SER A 44 0.708 -4.458 -0.348 1.00 0.00 C ATOM 704 O SER A 44 1.322 -3.736 0.434 1.00 0.00 O ATOM 705 CB SER A 44 1.234 -6.909 0.123 1.00 0.00 C ATOM 706 OG SER A 44 2.018 -6.655 1.270 1.00 0.00 O ATOM 0 H SER A 44 2.553 -5.818 -2.457 1.00 0.00 H new ATOM 0 HA SER A 44 0.616 -6.099 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.201 -7.083 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.584 -7.823 -0.357 1.00 0.00 H new ATOM 0 HG SER A 44 2.388 -7.498 1.606 1.00 0.00 H new ATOM 712 N ASN A 45 -0.494 -4.178 -0.841 1.00 0.00 N ATOM 713 CA ASN A 45 -1.304 -2.998 -0.553 1.00 0.00 C ATOM 714 C ASN A 45 -0.601 -1.722 -1.049 1.00 0.00 C ATOM 715 O ASN A 45 -0.688 -0.661 -0.435 1.00 0.00 O ATOM 716 CB ASN A 45 -1.660 -2.973 0.954 1.00 0.00 C ATOM 717 CG ASN A 45 -2.745 -1.970 1.361 1.00 0.00 C ATOM 718 OD1 ASN A 45 -3.426 -1.380 0.523 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.907 -1.782 2.674 1.00 0.00 N ATOM 0 H ASN A 45 -0.959 -4.809 -1.494 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.246 -3.043 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.984 -3.971 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.755 -2.751 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.615 -1.130 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.323 -2.290 3.338 1.00 0.00 H new ATOM 726 N ARG A 46 0.119 -1.866 -2.167 1.00 0.00 N ATOM 727 CA ARG A 46 0.887 -0.854 -2.861 1.00 0.00 C ATOM 728 C ARG A 46 0.018 -0.168 -3.914 1.00 0.00 C ATOM 729 O ARG A 46 -0.363 -0.813 -4.892 1.00 0.00 O ATOM 730 CB ARG A 46 2.090 -1.564 -3.484 1.00 0.00 C ATOM 731 CG ARG A 46 3.070 -0.559 -4.112 1.00 0.00 C ATOM 732 CD ARG A 46 4.299 -1.254 -4.710 1.00 0.00 C ATOM 733 NE ARG A 46 3.947 -2.194 -5.786 1.00 0.00 N ATOM 734 CZ ARG A 46 3.595 -1.867 -7.043 1.00 0.00 C ATOM 735 NH1 ARG A 46 3.540 -0.587 -7.447 1.00 0.00 N ATOM 736 NH2 ARG A 46 3.290 -2.842 -7.911 1.00 0.00 N ATOM 0 H ARG A 46 0.177 -2.769 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 46 1.230 -0.071 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.605 -2.149 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.747 -2.265 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.559 0.008 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.390 0.157 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.984 -0.501 -5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.828 -1.790 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 46 3.972 -3.188 -5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.768 0.164 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.270 -0.366 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.326 -3.818 -7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.022 -2.608 -8.867 1.00 0.00 H new ATOM 750 N PHE A 47 -0.276 1.129 -3.742 1.00 0.00 N ATOM 751 CA PHE A 47 -1.103 1.890 -4.643 1.00 0.00 C ATOM 752 C PHE A 47 -0.473 3.270 -4.872 1.00 0.00 C ATOM 753 O PHE A 47 -0.064 3.935 -3.924 1.00 0.00 O ATOM 754 CB PHE A 47 -2.461 1.963 -3.953 1.00 0.00 C ATOM 755 CG PHE A 47 -3.242 0.671 -4.130 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.812 0.340 -5.381 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.314 -0.251 -3.061 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.386 -0.935 -5.579 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.864 -1.531 -3.268 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.385 -1.879 -4.530 1.00 0.00 C ATOM 0 H PHE A 47 0.069 1.674 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.203 1.444 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.321 2.163 -2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.034 2.795 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.808 1.062 -6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.947 0.026 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.825 -1.187 -6.533 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.886 -2.246 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.784 -2.869 -4.695 1.00 0.00 H new ATOM 770 N LYS A 48 -0.406 3.696 -6.138 1.00 0.00 N ATOM 771 CA LYS A 48 0.156 4.947 -6.606 1.00 0.00 C ATOM 772 C LYS A 48 -0.644 6.163 -6.134 1.00 0.00 C ATOM 773 O LYS A 48 -0.046 7.132 -5.669 1.00 0.00 O ATOM 774 CB LYS A 48 0.200 4.869 -8.134 1.00 0.00 C ATOM 775 CG LYS A 48 1.306 3.914 -8.608 1.00 0.00 C ATOM 776 CD LYS A 48 1.432 3.963 -10.132 1.00 0.00 C ATOM 777 CE LYS A 48 2.496 2.976 -10.629 1.00 0.00 C ATOM 778 NZ LYS A 48 2.630 3.016 -12.095 1.00 0.00 N ATOM 0 H LYS A 48 -0.770 3.131 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 48 1.155 5.082 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.764 4.529 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.372 5.863 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.255 4.189 -8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.080 2.897 -8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.470 3.726 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.693 4.973 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.455 3.212 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.232 1.966 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.358 2.336 -12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.721 2.766 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.907 3.973 -12.392 1.00 0.00 H new ATOM 792 N THR A 49 -1.974 6.127 -6.288 1.00 0.00 N ATOM 793 CA THR A 49 -2.884 7.198 -5.873 1.00 0.00 C ATOM 794 C THR A 49 -3.971 6.620 -4.949 1.00 0.00 C ATOM 795 O THR A 49 -4.302 5.437 -5.001 1.00 0.00 O ATOM 796 CB THR A 49 -3.457 7.946 -7.098 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.793 7.060 -8.144 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.438 8.962 -7.637 1.00 0.00 C ATOM 0 H THR A 49 -2.456 5.335 -6.714 1.00 0.00 H new ATOM 0 HA THR A 49 -2.336 7.947 -5.301 1.00 0.00 H new ATOM 0 HB THR A 49 -4.359 8.456 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.688 7.275 -8.480 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.860 9.478 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.202 9.688 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.528 8.441 -7.936 1.00 0.00 H new ATOM 806 N ILE A 50 -4.509 7.495 -4.090 1.00 0.00 N ATOM 807 CA ILE A 50 -5.528 7.242 -3.067 1.00 0.00 C ATOM 808 C ILE A 50 -6.889 6.778 -3.602 1.00 0.00 C ATOM 809 O ILE A 50 -7.606 6.032 -2.934 1.00 0.00 O ATOM 810 CB ILE A 50 -5.647 8.538 -2.225 1.00 0.00 C ATOM 811 CG1 ILE A 50 -6.410 8.363 -0.899 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.325 9.659 -3.029 1.00 0.00 C ATOM 813 CD1 ILE A 50 -6.198 9.594 0.002 1.00 0.00 C ATOM 0 H ILE A 50 -4.220 8.473 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.205 6.394 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.618 8.802 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.473 8.227 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.064 7.465 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.395 10.556 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.736 9.875 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.325 9.342 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.742 9.459 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.135 9.711 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.566 10.485 -0.507 1.00 0.00 H new ATOM 825 N GLU A 51 -7.228 7.199 -4.820 1.00 0.00 N ATOM 826 CA GLU A 51 -8.491 6.887 -5.481 1.00 0.00 C ATOM 827 C GLU A 51 -8.426 5.467 -5.997 1.00 0.00 C ATOM 828 O GLU A 51 -9.295 4.645 -5.740 1.00 0.00 O ATOM 829 CB GLU A 51 -8.743 7.901 -6.607 1.00 0.00 C ATOM 830 CG GLU A 51 -8.720 9.341 -6.074 1.00 0.00 C ATOM 831 CD GLU A 51 -9.354 10.322 -7.061 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.653 10.692 -8.028 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.532 10.680 -6.838 1.00 0.00 O ATOM 0 H GLU A 51 -6.614 7.782 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.326 6.960 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.984 7.785 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.707 7.698 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.253 9.386 -5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.690 9.639 -5.876 1.00 0.00 H new ATOM 840 N GLU A 52 -7.346 5.239 -6.726 1.00 0.00 N ATOM 841 CA GLU A 52 -6.884 4.000 -7.323 1.00 0.00 C ATOM 842 C GLU A 52 -6.740 2.934 -6.227 1.00 0.00 C ATOM 843 O GLU A 52 -6.960 1.749 -6.480 1.00 0.00 O ATOM 844 CB GLU A 52 -5.544 4.332 -8.003 1.00 0.00 C ATOM 845 CG GLU A 52 -5.731 4.750 -9.473 1.00 0.00 C ATOM 846 CD GLU A 52 -6.703 5.923 -9.650 1.00 0.00 C ATOM 847 OE1 GLU A 52 -6.237 7.079 -9.549 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.901 5.646 -9.879 1.00 0.00 O ATOM 0 H GLU A 52 -6.703 6.002 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.579 3.596 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.050 5.136 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.887 3.463 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.763 5.023 -9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.096 3.896 -10.043 1.00 0.00 H new ATOM 855 N CYS A 53 -6.365 3.364 -5.013 1.00 0.00 N ATOM 856 CA CYS A 53 -6.251 2.514 -3.846 1.00 0.00 C ATOM 857 C CYS A 53 -7.662 2.127 -3.441 1.00 0.00 C ATOM 858 O CYS A 53 -7.983 0.942 -3.424 1.00 0.00 O ATOM 859 CB CYS A 53 -5.574 3.258 -2.696 1.00 0.00 C ATOM 860 SG CYS A 53 -5.077 2.215 -1.296 1.00 0.00 S ATOM 0 H CYS A 53 -6.130 4.338 -4.824 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.646 1.637 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.691 3.767 -3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.253 4.029 -2.332 1.00 0.00 H new ATOM 865 N ARG A 54 -8.500 3.140 -3.159 1.00 0.00 N ATOM 866 CA ARG A 54 -9.883 2.887 -2.749 1.00 0.00 C ATOM 867 C ARG A 54 -10.712 2.138 -3.815 1.00 0.00 C ATOM 868 O ARG A 54 -11.670 1.458 -3.463 1.00 0.00 O ATOM 869 CB ARG A 54 -10.577 4.184 -2.314 1.00 0.00 C ATOM 870 CG ARG A 54 -10.018 4.737 -0.989 1.00 0.00 C ATOM 871 CD ARG A 54 -11.031 5.666 -0.303 1.00 0.00 C ATOM 872 NE ARG A 54 -10.972 7.030 -0.852 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.640 7.508 -1.918 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.537 6.762 -2.583 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.403 8.763 -2.324 1.00 0.00 N ATOM 0 H ARG A 54 -8.244 4.126 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.827 2.219 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.460 4.935 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.646 4.001 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.770 3.911 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.093 5.281 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.037 5.265 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.832 5.695 0.768 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.356 7.686 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.727 5.806 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.028 7.152 -3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.725 9.340 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.901 9.141 -3.130 1.00 0.00 H new ATOM 889 N ARG A 55 -10.380 2.231 -5.108 1.00 0.00 N ATOM 890 CA ARG A 55 -11.079 1.535 -6.185 1.00 0.00 C ATOM 891 C ARG A 55 -11.005 0.002 -6.066 1.00 0.00 C ATOM 892 O ARG A 55 -11.912 -0.706 -6.495 1.00 0.00 O ATOM 893 CB ARG A 55 -10.376 1.931 -7.490 1.00 0.00 C ATOM 894 CG ARG A 55 -10.912 3.250 -8.067 1.00 0.00 C ATOM 895 CD ARG A 55 -12.070 3.039 -9.054 1.00 0.00 C ATOM 896 NE ARG A 55 -11.665 2.252 -10.230 1.00 0.00 N ATOM 897 CZ ARG A 55 -10.898 2.683 -11.250 1.00 0.00 C ATOM 898 NH1 ARG A 55 -10.431 3.941 -11.295 1.00 0.00 N ATOM 899 NH2 ARG A 55 -10.593 1.836 -12.242 1.00 0.00 N ATOM 0 H ARG A 55 -9.603 2.804 -5.437 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.132 1.814 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.305 2.025 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.506 1.137 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.248 3.889 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.102 3.777 -8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.890 2.532 -8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.447 4.008 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.997 1.289 -10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.655 4.595 -10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.852 4.242 -12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.941 0.877 -12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.013 2.150 -13.020 1.00 0.00 H new ATOM 913 N THR A 56 -9.893 -0.477 -5.507 1.00 0.00 N ATOM 914 CA THR A 56 -9.502 -1.870 -5.318 1.00 0.00 C ATOM 915 C THR A 56 -9.667 -2.342 -3.866 1.00 0.00 C ATOM 916 O THR A 56 -10.009 -3.503 -3.642 1.00 0.00 O ATOM 917 CB THR A 56 -8.033 -1.987 -5.794 1.00 0.00 C ATOM 918 OG1 THR A 56 -7.968 -1.673 -7.174 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.415 -3.379 -5.599 1.00 0.00 C ATOM 0 H THR A 56 -9.182 0.158 -5.144 1.00 0.00 H new ATOM 0 HA THR A 56 -10.155 -2.522 -5.898 1.00 0.00 H new ATOM 0 HB THR A 56 -7.462 -1.292 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.040 -1.743 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.386 -3.374 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.429 -3.638 -4.540 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.991 -4.115 -6.160 1.00 0.00 H new ATOM 927 N CYS A 57 -9.430 -1.460 -2.887 1.00 0.00 N ATOM 928 CA CYS A 57 -9.489 -1.714 -1.467 1.00 0.00 C ATOM 929 C CYS A 57 -10.825 -1.379 -0.819 1.00 0.00 C ATOM 930 O CYS A 57 -11.232 -2.060 0.123 1.00 0.00 O ATOM 931 CB CYS A 57 -8.359 -0.886 -0.845 1.00 0.00 C ATOM 932 SG CYS A 57 -6.663 -1.284 -1.375 1.00 0.00 S ATOM 0 H CYS A 57 -9.177 -0.493 -3.093 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.375 -2.784 -1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.546 0.165 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.412 -0.998 0.238 1.00 0.00 H new ATOM 937 N ILE A 58 -11.486 -0.333 -1.317 1.00 0.00 N ATOM 938 CA ILE A 58 -12.786 0.121 -0.788 1.00 0.00 C ATOM 939 C ILE A 58 -13.963 -0.291 -1.683 1.00 0.00 C ATOM 940 O ILE A 58 -15.085 -0.422 -1.193 1.00 0.00 O ATOM 941 CB ILE A 58 -12.789 1.629 -0.474 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.595 2.047 0.409 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.075 2.044 0.267 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.452 1.334 1.746 1.00 0.00 C ATOM 0 H ILE A 58 -11.141 0.227 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.931 -0.397 0.160 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.722 2.128 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.679 1.890 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.671 3.117 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.046 3.114 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.942 1.818 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.148 1.495 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.576 1.717 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.342 1.510 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.335 0.264 1.577 1.00 0.00 H new ATOM 956 N ARG A 59 -13.696 -0.509 -2.976 1.00 0.00 N ATOM 957 CA ARG A 59 -14.586 -0.918 -4.037 1.00 0.00 C ATOM 958 C ARG A 59 -15.993 -0.315 -3.885 1.00 0.00 C ATOM 959 O ARG A 59 -16.170 0.879 -4.126 1.00 0.00 O ATOM 960 CB ARG A 59 -14.463 -2.446 -4.064 1.00 0.00 C ATOM 961 CG ARG A 59 -15.085 -3.086 -5.293 1.00 0.00 C ATOM 962 CD ARG A 59 -14.334 -2.889 -6.616 1.00 0.00 C ATOM 963 NE ARG A 59 -13.058 -3.621 -6.631 1.00 0.00 N ATOM 964 CZ ARG A 59 -12.196 -3.668 -7.664 1.00 0.00 C ATOM 965 NH1 ARG A 59 -12.419 -2.969 -8.788 1.00 0.00 N ATOM 966 NH2 ARG A 59 -11.095 -4.425 -7.571 1.00 0.00 N ATOM 0 H ARG A 59 -12.747 -0.386 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.323 -0.530 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.408 -2.718 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.937 -2.856 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.181 -4.156 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.094 -2.691 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.958 -3.228 -7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.146 -1.827 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.805 -4.136 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.254 -2.389 -8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.754 -3.018 -9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.915 -4.961 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.437 -4.466 -8.349 1.00 0.00 H new ATOM 980 N LYS A 60 -16.973 -1.131 -3.484 1.00 0.00 N ATOM 981 CA LYS A 60 -18.367 -0.755 -3.265 1.00 0.00 C ATOM 982 C LYS A 60 -18.751 -1.168 -1.838 1.00 0.00 C ATOM 983 O LYS A 60 -18.956 -2.383 -1.621 1.00 0.00 O ATOM 984 CB LYS A 60 -19.279 -1.417 -4.316 1.00 0.00 C ATOM 985 CG LYS A 60 -18.975 -0.926 -5.742 1.00 0.00 C ATOM 986 CD LYS A 60 -19.838 -1.614 -6.815 1.00 0.00 C ATOM 987 CE LYS A 60 -21.352 -1.396 -6.658 1.00 0.00 C ATOM 988 NZ LYS A 60 -21.717 0.031 -6.673 1.00 0.00 N ATOM 989 OXT LYS A 60 -18.822 -0.261 -0.979 1.00 0.00 O ATOM 0 H LYS A 60 -16.804 -2.119 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.494 0.322 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.155 -2.499 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.321 -1.206 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.136 0.151 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.922 -1.102 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -19.532 -1.251 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -19.635 -2.685 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.876 -1.911 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.686 -1.844 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.751 0.125 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -21.280 0.510 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.378 0.467 -7.554 1.00 0.00 H new TER 1003 LYS A 60