USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 575 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 60 ASN : amide:sc= 0.953 K(o=3.1,f=-2.6) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -171:sc= 2.14 (180deg=0.863) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.21 K(o=-0.94,f=-2.2) USER MOD Set 2.2: A 44 HIS : no HE2:sc= -0.726 K(o=-0.94,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.126 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 69:sc= 1.12 USER MOD Single : A 5 SER OG : rot 180:sc= 0.104 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.017) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00778 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 168:sc= -0.222 (180deg=-0.406) USER MOD Single : A 28 SER OG : rot 85:sc= 0.45 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 162:sc= -0.0231 (180deg=-0.328) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00859 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -170:sc= 0 USER MOD Single : A 49 TYR OH : rot 58:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -99:sc= 0.0871 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -129:sc= -0.0273 (180deg=-1.91!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -120:sc= 0 (180deg=-0.0413) USER MOD Single : A 69 MET CE :methyl -162:sc= -0.0934 (180deg=-0.578) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.422 -24.177 1.725 1.00 0.00 N ATOM 2 CA GLY A 1 -9.861 -23.818 0.416 1.00 0.00 C ATOM 3 C GLY A 1 -8.721 -24.747 0.048 1.00 0.00 C ATOM 4 O GLY A 1 -8.248 -25.511 0.894 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.310 -24.702 1.590 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.743 -24.772 2.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.611 -23.312 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.639 -23.870 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.505 -22.788 0.438 1.00 0.00 H new ATOM 8 N SER A 2 -8.278 -24.682 -1.211 1.00 0.00 N ATOM 9 CA SER A 2 -7.254 -25.566 -1.749 1.00 0.00 C ATOM 10 C SER A 2 -5.959 -25.404 -0.944 1.00 0.00 C ATOM 11 O SER A 2 -5.315 -24.352 -0.995 1.00 0.00 O ATOM 12 CB SER A 2 -7.077 -25.317 -3.253 1.00 0.00 C ATOM 13 OG SER A 2 -7.033 -26.545 -3.949 1.00 0.00 O ATOM 0 H SER A 2 -8.628 -24.004 -1.889 1.00 0.00 H new ATOM 0 HA SER A 2 -7.559 -26.607 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.900 -24.708 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.159 -24.757 -3.431 1.00 0.00 H new ATOM 0 HG SER A 2 -6.922 -26.374 -4.908 1.00 0.00 H new ATOM 19 N SER A 3 -5.612 -26.418 -0.157 1.00 0.00 N ATOM 20 CA SER A 3 -4.538 -26.406 0.818 1.00 0.00 C ATOM 21 C SER A 3 -3.569 -27.538 0.487 1.00 0.00 C ATOM 22 O SER A 3 -3.609 -28.597 1.113 1.00 0.00 O ATOM 23 CB SER A 3 -5.140 -26.536 2.222 1.00 0.00 C ATOM 24 OG SER A 3 -5.981 -25.431 2.520 1.00 0.00 O ATOM 0 H SER A 3 -6.100 -27.313 -0.187 1.00 0.00 H new ATOM 0 HA SER A 3 -3.980 -25.470 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.711 -27.462 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.340 -26.598 2.960 1.00 0.00 H new ATOM 0 HG SER A 3 -6.783 -25.469 1.958 1.00 0.00 H new ATOM 30 N GLY A 4 -2.708 -27.315 -0.503 1.00 0.00 N ATOM 31 CA GLY A 4 -1.590 -28.195 -0.797 1.00 0.00 C ATOM 32 C GLY A 4 -0.312 -27.633 -0.185 1.00 0.00 C ATOM 33 O GLY A 4 -0.343 -26.679 0.608 1.00 0.00 O ATOM 0 H GLY A 4 -2.771 -26.510 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.786 -29.191 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.472 -28.299 -1.876 1.00 0.00 H new ATOM 37 N SER A 5 0.817 -28.190 -0.614 1.00 0.00 N ATOM 38 CA SER A 5 2.168 -27.691 -0.381 1.00 0.00 C ATOM 39 C SER A 5 2.262 -26.188 -0.682 1.00 0.00 C ATOM 40 O SER A 5 1.486 -25.679 -1.502 1.00 0.00 O ATOM 41 CB SER A 5 3.166 -28.519 -1.223 1.00 0.00 C ATOM 42 OG SER A 5 2.558 -29.190 -2.325 1.00 0.00 O ATOM 0 H SER A 5 0.813 -29.049 -1.164 1.00 0.00 H new ATOM 0 HA SER A 5 2.424 -27.809 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.949 -27.859 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.649 -29.255 -0.580 1.00 0.00 H new ATOM 0 HG SER A 5 3.239 -29.693 -2.818 1.00 0.00 H new ATOM 48 N SER A 6 3.206 -25.515 -0.014 1.00 0.00 N ATOM 49 CA SER A 6 3.607 -24.107 -0.113 1.00 0.00 C ATOM 50 C SER A 6 2.595 -23.217 -0.852 1.00 0.00 C ATOM 51 O SER A 6 2.613 -23.143 -2.083 1.00 0.00 O ATOM 52 CB SER A 6 4.995 -24.042 -0.765 1.00 0.00 C ATOM 53 OG SER A 6 5.868 -25.000 -0.200 1.00 0.00 O ATOM 0 H SER A 6 3.769 -25.997 0.686 1.00 0.00 H new ATOM 0 HA SER A 6 3.640 -23.699 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.905 -24.215 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.414 -23.044 -0.637 1.00 0.00 H new ATOM 0 HG SER A 6 6.745 -24.939 -0.633 1.00 0.00 H new ATOM 59 N GLY A 7 1.684 -22.569 -0.122 1.00 0.00 N ATOM 60 CA GLY A 7 0.623 -21.730 -0.666 1.00 0.00 C ATOM 61 C GLY A 7 1.207 -20.498 -1.349 1.00 0.00 C ATOM 62 O GLY A 7 1.588 -19.538 -0.675 1.00 0.00 O ATOM 0 H GLY A 7 1.667 -22.618 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.031 -22.302 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.051 -21.423 0.134 1.00 0.00 H new ATOM 66 N ARG A 8 1.308 -20.523 -2.681 1.00 0.00 N ATOM 67 CA ARG A 8 1.941 -19.472 -3.482 1.00 0.00 C ATOM 68 C ARG A 8 1.229 -18.119 -3.441 1.00 0.00 C ATOM 69 O ARG A 8 1.776 -17.147 -3.966 1.00 0.00 O ATOM 70 CB ARG A 8 2.101 -19.945 -4.936 1.00 0.00 C ATOM 71 CG ARG A 8 0.789 -20.309 -5.647 1.00 0.00 C ATOM 72 CD ARG A 8 1.026 -20.649 -7.129 1.00 0.00 C ATOM 73 NE ARG A 8 0.611 -19.560 -8.030 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.655 -19.212 -8.282 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.658 -19.899 -7.744 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.937 -18.200 -9.087 1.00 0.00 N ATOM 0 H ARG A 8 0.944 -21.291 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 8 2.915 -19.300 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.600 -19.160 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.758 -20.815 -4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.327 -21.160 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.090 -19.476 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.083 -20.862 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.477 -21.556 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 8 1.347 -19.030 -8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.463 -20.695 -7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.623 -19.630 -7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.183 -17.672 -9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.909 -17.948 -9.268 1.00 0.00 H new ATOM 90 N GLY A 9 0.023 -18.020 -2.887 1.00 0.00 N ATOM 91 CA GLY A 9 -0.691 -16.759 -2.765 1.00 0.00 C ATOM 92 C GLY A 9 -1.850 -16.903 -1.795 1.00 0.00 C ATOM 93 O GLY A 9 -3.020 -16.826 -2.188 1.00 0.00 O ATOM 0 H GLY A 9 -0.486 -18.819 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.012 -15.980 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.061 -16.447 -3.741 1.00 0.00 H new ATOM 97 N ARG A 10 -1.523 -17.165 -0.531 1.00 0.00 N ATOM 98 CA ARG A 10 -2.463 -17.139 0.583 1.00 0.00 C ATOM 99 C ARG A 10 -2.782 -15.680 0.910 1.00 0.00 C ATOM 100 O ARG A 10 -1.908 -14.829 0.757 1.00 0.00 O ATOM 101 CB ARG A 10 -1.774 -17.827 1.770 1.00 0.00 C ATOM 102 CG ARG A 10 -2.618 -17.988 3.030 1.00 0.00 C ATOM 103 CD ARG A 10 -3.822 -18.918 2.888 1.00 0.00 C ATOM 104 NE ARG A 10 -4.399 -19.107 4.218 1.00 0.00 N ATOM 105 CZ ARG A 10 -5.290 -20.006 4.622 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.935 -20.769 3.749 1.00 0.00 N ATOM 107 NH2 ARG A 10 -5.495 -20.111 5.926 1.00 0.00 N ATOM 0 H ARG A 10 -0.573 -17.407 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.395 -17.653 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.443 -18.815 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.880 -17.258 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.980 -18.364 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.972 -17.005 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.559 -18.488 2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.518 -19.875 2.464 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.072 -18.459 4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.750 -20.670 2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.616 -21.454 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.978 -19.515 6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.170 -20.787 6.283 1.00 0.00 H new ATOM 121 N TYR A 11 -3.993 -15.420 1.413 1.00 0.00 N ATOM 122 CA TYR A 11 -4.528 -14.106 1.764 1.00 0.00 C ATOM 123 C TYR A 11 -4.140 -13.063 0.717 1.00 0.00 C ATOM 124 O TYR A 11 -3.264 -12.229 0.947 1.00 0.00 O ATOM 125 CB TYR A 11 -4.110 -13.709 3.187 1.00 0.00 C ATOM 126 CG TYR A 11 -4.919 -14.352 4.288 1.00 0.00 C ATOM 127 CD1 TYR A 11 -6.229 -13.906 4.533 1.00 0.00 C ATOM 128 CD2 TYR A 11 -4.347 -15.334 5.115 1.00 0.00 C ATOM 129 CE1 TYR A 11 -6.963 -14.416 5.614 1.00 0.00 C ATOM 130 CE2 TYR A 11 -5.074 -15.839 6.206 1.00 0.00 C ATOM 131 CZ TYR A 11 -6.370 -15.359 6.479 1.00 0.00 C ATOM 132 OH TYR A 11 -7.024 -15.800 7.582 1.00 0.00 O ATOM 0 H TYR A 11 -4.663 -16.167 1.596 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.617 -14.157 1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.061 -13.968 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.187 -12.626 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.674 -13.166 3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.351 -15.699 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.978 -14.088 5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.638 -16.598 6.838 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.463 -16.447 8.058 1.00 0.00 H new ATOM 142 N ARG A 12 -4.814 -13.128 -0.437 1.00 0.00 N ATOM 143 CA ARG A 12 -4.622 -12.195 -1.545 1.00 0.00 C ATOM 144 C ARG A 12 -4.817 -10.762 -1.072 1.00 0.00 C ATOM 145 O ARG A 12 -3.972 -9.917 -1.346 1.00 0.00 O ATOM 146 CB ARG A 12 -5.597 -12.541 -2.681 1.00 0.00 C ATOM 147 CG ARG A 12 -5.548 -11.518 -3.831 1.00 0.00 C ATOM 148 CD ARG A 12 -5.861 -12.132 -5.198 1.00 0.00 C ATOM 149 NE ARG A 12 -4.636 -12.678 -5.814 1.00 0.00 N ATOM 150 CZ ARG A 12 -4.243 -12.508 -7.084 1.00 0.00 C ATOM 151 NH1 ARG A 12 -5.066 -12.013 -8.004 1.00 0.00 N ATOM 152 NH2 ARG A 12 -3.005 -12.853 -7.416 1.00 0.00 N ATOM 0 H ARG A 12 -5.518 -13.842 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.603 -12.284 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.360 -13.532 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.611 -12.588 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.260 -10.718 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.558 -11.063 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.602 -12.923 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.297 -11.376 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.030 -13.239 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.019 -11.754 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.744 -11.893 -8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.376 -13.238 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.682 -12.733 -8.376 1.00 0.00 H new ATOM 166 N GLN A 13 -5.927 -10.508 -0.372 1.00 0.00 N ATOM 167 CA GLN A 13 -6.330 -9.168 0.028 1.00 0.00 C ATOM 168 C GLN A 13 -6.268 -8.241 -1.191 1.00 0.00 C ATOM 169 O GLN A 13 -6.932 -8.519 -2.195 1.00 0.00 O ATOM 170 CB GLN A 13 -5.532 -8.721 1.274 1.00 0.00 C ATOM 171 CG GLN A 13 -5.604 -9.695 2.467 1.00 0.00 C ATOM 172 CD GLN A 13 -6.888 -9.603 3.294 1.00 0.00 C ATOM 173 OE1 GLN A 13 -6.823 -9.481 4.513 1.00 0.00 O ATOM 174 NE2 GLN A 13 -8.069 -9.737 2.706 1.00 0.00 N ATOM 0 H GLN A 13 -6.572 -11.237 -0.067 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.369 -9.135 0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.487 -8.590 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.901 -7.747 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.502 -10.714 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.753 -9.509 3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.126 -9.839 1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.921 -9.738 3.267 1.00 0.00 H new ATOM 183 N TYR A 14 -5.526 -7.147 -1.100 1.00 0.00 N ATOM 184 CA TYR A 14 -5.516 -6.100 -2.093 1.00 0.00 C ATOM 185 C TYR A 14 -4.678 -6.529 -3.298 1.00 0.00 C ATOM 186 O TYR A 14 -3.730 -7.311 -3.184 1.00 0.00 O ATOM 187 CB TYR A 14 -4.985 -4.828 -1.427 1.00 0.00 C ATOM 188 CG TYR A 14 -3.609 -4.967 -0.807 1.00 0.00 C ATOM 189 CD1 TYR A 14 -3.454 -5.406 0.523 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.476 -4.660 -1.574 1.00 0.00 C ATOM 191 CE1 TYR A 14 -2.164 -5.560 1.061 1.00 0.00 C ATOM 192 CE2 TYR A 14 -1.189 -4.791 -1.038 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.026 -5.239 0.287 1.00 0.00 C ATOM 194 OH TYR A 14 0.219 -5.342 0.819 1.00 0.00 O ATOM 0 H TYR A 14 -4.903 -6.965 -0.313 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.519 -5.902 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.956 -4.030 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.688 -4.518 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.323 -5.623 1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.598 -4.318 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.042 -5.925 2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.325 -4.549 -1.639 1.00 0.00 H new ATOM 0 HH TYR A 14 0.884 -5.083 0.147 1.00 0.00 H new ATOM 204 N ASN A 15 -5.016 -5.996 -4.471 1.00 0.00 N ATOM 205 CA ASN A 15 -4.207 -6.154 -5.675 1.00 0.00 C ATOM 206 C ASN A 15 -3.000 -5.238 -5.595 1.00 0.00 C ATOM 207 O ASN A 15 -3.056 -4.200 -4.935 1.00 0.00 O ATOM 208 CB ASN A 15 -4.995 -5.827 -6.953 1.00 0.00 C ATOM 209 CG ASN A 15 -6.255 -6.659 -7.139 1.00 0.00 C ATOM 210 OD1 ASN A 15 -6.416 -7.730 -6.563 1.00 0.00 O ATOM 211 ND2 ASN A 15 -7.182 -6.159 -7.929 1.00 0.00 N ATOM 0 H ASN A 15 -5.861 -5.442 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.900 -7.199 -5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.269 -4.772 -6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.345 -5.975 -7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.056 -6.664 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.026 -5.267 -8.397 1.00 0.00 H new ATOM 218 N SER A 16 -1.949 -5.543 -6.353 1.00 0.00 N ATOM 219 CA SER A 16 -0.780 -4.678 -6.457 1.00 0.00 C ATOM 220 C SER A 16 -1.120 -3.268 -6.956 1.00 0.00 C ATOM 221 O SER A 16 -0.331 -2.340 -6.778 1.00 0.00 O ATOM 222 CB SER A 16 0.248 -5.328 -7.382 1.00 0.00 C ATOM 223 OG SER A 16 0.396 -6.705 -7.101 1.00 0.00 O ATOM 0 H SER A 16 -1.885 -6.395 -6.910 1.00 0.00 H new ATOM 0 HA SER A 16 -0.370 -4.562 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.060 -5.198 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.209 -4.827 -7.270 1.00 0.00 H new ATOM 0 HG SER A 16 1.059 -7.094 -7.710 1.00 0.00 H new ATOM 229 N GLU A 17 -2.273 -3.125 -7.606 1.00 0.00 N ATOM 230 CA GLU A 17 -2.876 -1.879 -8.044 1.00 0.00 C ATOM 231 C GLU A 17 -3.498 -1.180 -6.832 1.00 0.00 C ATOM 232 O GLU A 17 -3.103 -0.072 -6.499 1.00 0.00 O ATOM 233 CB GLU A 17 -3.937 -2.200 -9.113 1.00 0.00 C ATOM 234 CG GLU A 17 -3.398 -3.060 -10.266 1.00 0.00 C ATOM 235 CD GLU A 17 -2.318 -2.352 -11.082 1.00 0.00 C ATOM 236 OE1 GLU A 17 -2.578 -1.263 -11.636 1.00 0.00 O ATOM 237 OE2 GLU A 17 -1.196 -2.902 -11.179 1.00 0.00 O ATOM 0 H GLU A 17 -2.844 -3.933 -7.854 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.133 -1.212 -8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.772 -2.719 -8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.329 -1.267 -9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.991 -3.987 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.222 -3.334 -10.924 1.00 0.00 H new ATOM 244 N ILE A 18 -4.429 -1.856 -6.142 1.00 0.00 N ATOM 245 CA ILE A 18 -5.197 -1.383 -4.981 1.00 0.00 C ATOM 246 C ILE A 18 -4.280 -0.760 -3.933 1.00 0.00 C ATOM 247 O ILE A 18 -4.685 0.184 -3.262 1.00 0.00 O ATOM 248 CB ILE A 18 -5.990 -2.565 -4.368 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.049 -3.135 -5.328 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.636 -2.285 -2.996 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.364 -2.356 -5.322 1.00 0.00 C ATOM 0 H ILE A 18 -4.682 -2.811 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.893 -0.614 -5.314 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.215 -3.312 -4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.644 -3.140 -6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.250 -4.172 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.166 -3.174 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.861 -2.026 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.338 -1.456 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.062 -2.815 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.792 -2.372 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.177 -1.324 -5.620 1.00 0.00 H new ATOM 263 N LEU A 19 -3.069 -1.292 -3.770 1.00 0.00 N ATOM 264 CA LEU A 19 -2.107 -0.726 -2.842 1.00 0.00 C ATOM 265 C LEU A 19 -1.785 0.730 -3.170 1.00 0.00 C ATOM 266 O LEU A 19 -1.845 1.573 -2.278 1.00 0.00 O ATOM 267 CB LEU A 19 -0.872 -1.628 -2.757 1.00 0.00 C ATOM 268 CG LEU A 19 0.227 -1.079 -1.837 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.264 -0.830 -0.401 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.352 -2.110 -1.777 1.00 0.00 C ATOM 0 H LEU A 19 -2.736 -2.115 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.549 -0.695 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.175 -2.612 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.462 -1.764 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 19 0.555 -0.124 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.557 -0.442 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.078 -0.105 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.620 -1.766 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.147 -1.743 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.965 -3.049 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.748 -2.275 -2.779 1.00 0.00 H new ATOM 282 N GLU A 20 -1.479 1.039 -4.429 1.00 0.00 N ATOM 283 CA GLU A 20 -1.174 2.403 -4.836 1.00 0.00 C ATOM 284 C GLU A 20 -2.412 3.288 -4.667 1.00 0.00 C ATOM 285 O GLU A 20 -2.272 4.431 -4.246 1.00 0.00 O ATOM 286 CB GLU A 20 -0.642 2.440 -6.278 1.00 0.00 C ATOM 287 CG GLU A 20 0.689 1.689 -6.451 1.00 0.00 C ATOM 288 CD GLU A 20 1.829 2.281 -5.614 1.00 0.00 C ATOM 289 OE1 GLU A 20 2.242 3.438 -5.867 1.00 0.00 O ATOM 290 OE2 GLU A 20 2.333 1.568 -4.710 1.00 0.00 O ATOM 0 H GLU A 20 -1.437 0.357 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.386 2.796 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.387 2.005 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.509 3.478 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.548 0.644 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.973 1.704 -7.503 1.00 0.00 H new ATOM 297 N GLU A 21 -3.620 2.776 -4.909 1.00 0.00 N ATOM 298 CA GLU A 21 -4.885 3.479 -4.710 1.00 0.00 C ATOM 299 C GLU A 21 -5.082 3.867 -3.250 1.00 0.00 C ATOM 300 O GLU A 21 -5.368 5.021 -2.944 1.00 0.00 O ATOM 301 CB GLU A 21 -6.037 2.596 -5.142 1.00 0.00 C ATOM 302 CG GLU A 21 -5.923 1.930 -6.499 1.00 0.00 C ATOM 303 CD GLU A 21 -6.009 2.918 -7.652 1.00 0.00 C ATOM 304 OE1 GLU A 21 -5.068 3.710 -7.877 1.00 0.00 O ATOM 305 OE2 GLU A 21 -7.011 2.873 -8.392 1.00 0.00 O ATOM 0 H GLU A 21 -3.747 1.827 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.858 4.387 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.166 1.816 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.946 3.198 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.976 1.394 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.716 1.189 -6.602 1.00 0.00 H new ATOM 312 N ALA A 22 -4.929 2.897 -2.354 1.00 0.00 N ATOM 313 CA ALA A 22 -5.081 3.053 -0.908 1.00 0.00 C ATOM 314 C ALA A 22 -4.009 3.960 -0.308 1.00 0.00 C ATOM 315 O ALA A 22 -4.206 4.523 0.766 1.00 0.00 O ATOM 316 CB ALA A 22 -4.987 1.675 -0.264 1.00 0.00 C ATOM 0 H ALA A 22 -4.686 1.944 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.048 3.518 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.098 1.770 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.778 1.036 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.017 1.232 -0.491 1.00 0.00 H new ATOM 322 N ILE A 23 -2.879 4.117 -0.984 1.00 0.00 N ATOM 323 CA ILE A 23 -1.901 5.138 -0.658 1.00 0.00 C ATOM 324 C ILE A 23 -2.428 6.470 -1.199 1.00 0.00 C ATOM 325 O ILE A 23 -2.497 7.437 -0.447 1.00 0.00 O ATOM 326 CB ILE A 23 -0.545 4.680 -1.217 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.040 3.507 -0.350 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.513 5.788 -1.251 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.932 2.631 -1.135 1.00 0.00 C ATOM 0 H ILE A 23 -2.616 3.534 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.747 5.288 0.411 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.700 4.380 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.452 3.894 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.886 2.908 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.443 5.391 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.163 6.606 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.687 6.156 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.274 1.811 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.429 2.227 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.788 3.228 -1.449 1.00 0.00 H new ATOM 341 N SER A 24 -2.875 6.508 -2.456 1.00 0.00 N ATOM 342 CA SER A 24 -3.440 7.662 -3.144 1.00 0.00 C ATOM 343 C SER A 24 -4.575 8.327 -2.363 1.00 0.00 C ATOM 344 O SER A 24 -4.622 9.553 -2.328 1.00 0.00 O ATOM 345 CB SER A 24 -3.919 7.240 -4.543 1.00 0.00 C ATOM 346 OG SER A 24 -3.003 7.662 -5.533 1.00 0.00 O ATOM 0 H SER A 24 -2.849 5.682 -3.054 1.00 0.00 H new ATOM 0 HA SER A 24 -2.652 8.410 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.032 6.157 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.901 7.670 -4.742 1.00 0.00 H new ATOM 0 HG SER A 24 -3.324 7.383 -6.416 1.00 0.00 H new ATOM 352 N VAL A 25 -5.486 7.575 -1.736 1.00 0.00 N ATOM 353 CA VAL A 25 -6.529 8.170 -0.903 1.00 0.00 C ATOM 354 C VAL A 25 -5.867 8.994 0.203 1.00 0.00 C ATOM 355 O VAL A 25 -6.075 10.194 0.294 1.00 0.00 O ATOM 356 CB VAL A 25 -7.555 7.124 -0.379 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.832 7.104 -1.208 1.00 0.00 C ATOM 358 CG2 VAL A 25 -7.039 5.722 -0.282 1.00 0.00 C ATOM 0 H VAL A 25 -5.520 6.557 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.134 8.842 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.760 7.468 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.517 6.359 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.303 8.086 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.591 6.853 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.827 5.069 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.724 5.381 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.190 5.693 0.400 1.00 0.00 H new ATOM 368 N VAL A 26 -5.049 8.371 1.032 1.00 0.00 N ATOM 369 CA VAL A 26 -4.431 8.970 2.212 1.00 0.00 C ATOM 370 C VAL A 26 -3.536 10.143 1.816 1.00 0.00 C ATOM 371 O VAL A 26 -3.684 11.241 2.349 1.00 0.00 O ATOM 372 CB VAL A 26 -3.680 7.883 3.007 1.00 0.00 C ATOM 373 CG1 VAL A 26 -3.080 8.426 4.311 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.639 6.736 3.356 1.00 0.00 C ATOM 0 H VAL A 26 -4.783 7.395 0.901 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.201 9.381 2.865 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.866 7.531 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.562 7.623 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.375 9.225 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.877 8.816 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.102 5.971 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.461 7.120 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.035 6.301 2.438 1.00 0.00 H new ATOM 384 N MET A 27 -2.643 9.925 0.853 1.00 0.00 N ATOM 385 CA MET A 27 -1.714 10.911 0.329 1.00 0.00 C ATOM 386 C MET A 27 -2.452 12.158 -0.133 1.00 0.00 C ATOM 387 O MET A 27 -2.100 13.266 0.272 1.00 0.00 O ATOM 388 CB MET A 27 -0.957 10.287 -0.839 1.00 0.00 C ATOM 389 CG MET A 27 0.108 9.309 -0.349 1.00 0.00 C ATOM 390 SD MET A 27 1.781 9.978 -0.429 1.00 0.00 S ATOM 391 CE MET A 27 2.664 8.505 -0.979 1.00 0.00 C ATOM 0 H MET A 27 -2.547 9.016 0.400 1.00 0.00 H new ATOM 0 HA MET A 27 -1.018 11.208 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.657 9.768 -1.494 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.488 11.072 -1.432 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.114 9.026 0.680 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.059 8.399 -0.947 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.673 8.779 -1.287 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.717 7.786 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.136 8.058 -1.821 1.00 0.00 H new ATOM 401 N SER A 28 -3.485 12.002 -0.956 1.00 0.00 N ATOM 402 CA SER A 28 -4.293 13.088 -1.455 1.00 0.00 C ATOM 403 C SER A 28 -5.427 13.460 -0.477 1.00 0.00 C ATOM 404 O SER A 28 -6.380 14.123 -0.887 1.00 0.00 O ATOM 405 CB SER A 28 -4.791 12.681 -2.842 1.00 0.00 C ATOM 406 OG SER A 28 -3.795 12.023 -3.616 1.00 0.00 O ATOM 0 H SER A 28 -3.783 11.089 -1.298 1.00 0.00 H new ATOM 0 HA SER A 28 -3.705 14.002 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.654 12.024 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.131 13.569 -3.375 1.00 0.00 H new ATOM 0 HG SER A 28 -3.787 11.068 -3.395 1.00 0.00 H new ATOM 412 N GLY A 29 -5.352 13.055 0.800 1.00 0.00 N ATOM 413 CA GLY A 29 -6.131 13.646 1.883 1.00 0.00 C ATOM 414 C GLY A 29 -7.529 13.057 2.046 1.00 0.00 C ATOM 415 O GLY A 29 -8.336 13.595 2.802 1.00 0.00 O ATOM 0 H GLY A 29 -4.740 12.299 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.585 13.520 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.220 14.718 1.708 1.00 0.00 H new ATOM 419 N LYS A 30 -7.851 11.953 1.372 1.00 0.00 N ATOM 420 CA LYS A 30 -9.207 11.407 1.320 1.00 0.00 C ATOM 421 C LYS A 30 -9.605 10.759 2.644 1.00 0.00 C ATOM 422 O LYS A 30 -10.798 10.640 2.932 1.00 0.00 O ATOM 423 CB LYS A 30 -9.279 10.359 0.211 1.00 0.00 C ATOM 424 CG LYS A 30 -8.874 10.869 -1.181 1.00 0.00 C ATOM 425 CD LYS A 30 -9.741 11.969 -1.786 1.00 0.00 C ATOM 426 CE LYS A 30 -9.353 11.989 -3.270 1.00 0.00 C ATOM 427 NZ LYS A 30 -10.118 12.967 -4.059 1.00 0.00 N ATOM 0 H LYS A 30 -7.171 11.408 0.842 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.897 12.228 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.634 9.522 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.297 9.973 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.849 11.236 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.872 10.022 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.802 11.755 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.549 12.932 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.290 12.214 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.504 10.995 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.809 12.931 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.132 12.741 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.955 13.922 -3.680 1.00 0.00 H new ATOM 441 N MET A 31 -8.637 10.265 3.419 1.00 0.00 N ATOM 442 CA MET A 31 -8.847 9.630 4.712 1.00 0.00 C ATOM 443 C MET A 31 -7.508 9.409 5.417 1.00 0.00 C ATOM 444 O MET A 31 -6.453 9.657 4.844 1.00 0.00 O ATOM 445 CB MET A 31 -9.566 8.286 4.547 1.00 0.00 C ATOM 446 CG MET A 31 -8.892 7.292 3.628 1.00 0.00 C ATOM 447 SD MET A 31 -9.982 5.946 3.102 1.00 0.00 S ATOM 448 CE MET A 31 -11.024 6.819 1.933 1.00 0.00 C ATOM 0 H MET A 31 -7.654 10.300 3.150 1.00 0.00 H new ATOM 0 HA MET A 31 -9.469 10.291 5.316 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.674 7.829 5.531 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.572 8.476 4.172 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.522 7.816 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.024 6.870 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.529 6.100 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.767 7.405 2.475 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.411 7.484 1.325 1.00 0.00 H new ATOM 458 N SER A 32 -7.561 8.889 6.642 1.00 0.00 N ATOM 459 CA SER A 32 -6.416 8.460 7.433 1.00 0.00 C ATOM 460 C SER A 32 -5.814 7.146 6.918 1.00 0.00 C ATOM 461 O SER A 32 -6.508 6.387 6.234 1.00 0.00 O ATOM 462 CB SER A 32 -6.919 8.212 8.856 1.00 0.00 C ATOM 463 OG SER A 32 -7.737 9.274 9.320 1.00 0.00 O ATOM 0 H SER A 32 -8.446 8.750 7.130 1.00 0.00 H new ATOM 0 HA SER A 32 -5.647 9.230 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.483 7.280 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.068 8.090 9.526 1.00 0.00 H new ATOM 0 HG SER A 32 -8.041 9.079 10.231 1.00 0.00 H new ATOM 469 N VAL A 33 -4.600 6.800 7.375 1.00 0.00 N ATOM 470 CA VAL A 33 -4.042 5.449 7.232 1.00 0.00 C ATOM 471 C VAL A 33 -5.034 4.447 7.821 1.00 0.00 C ATOM 472 O VAL A 33 -5.474 3.560 7.095 1.00 0.00 O ATOM 473 CB VAL A 33 -2.636 5.314 7.872 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.067 3.883 7.826 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.633 6.255 7.192 1.00 0.00 C ATOM 0 H VAL A 33 -3.978 7.451 7.854 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.897 5.239 6.172 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.774 5.584 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.082 3.868 8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.733 3.209 8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.983 3.558 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.654 6.142 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.561 6.007 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.970 7.286 7.301 1.00 0.00 H new ATOM 485 N SER A 34 -5.436 4.597 9.091 1.00 0.00 N ATOM 486 CA SER A 34 -6.315 3.630 9.754 1.00 0.00 C ATOM 487 C SER A 34 -7.657 3.429 9.051 1.00 0.00 C ATOM 488 O SER A 34 -8.335 2.427 9.273 1.00 0.00 O ATOM 489 CB SER A 34 -6.540 4.015 11.222 1.00 0.00 C ATOM 490 OG SER A 34 -6.695 5.410 11.432 1.00 0.00 O ATOM 0 H SER A 34 -5.163 5.384 9.680 1.00 0.00 H new ATOM 0 HA SER A 34 -5.794 2.674 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.428 3.501 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.697 3.660 11.814 1.00 0.00 H new ATOM 0 HG SER A 34 -6.836 5.584 12.386 1.00 0.00 H new ATOM 496 N LYS A 35 -8.054 4.382 8.216 1.00 0.00 N ATOM 497 CA LYS A 35 -9.313 4.360 7.514 1.00 0.00 C ATOM 498 C LYS A 35 -9.124 3.554 6.242 1.00 0.00 C ATOM 499 O LYS A 35 -9.593 2.423 6.181 1.00 0.00 O ATOM 500 CB LYS A 35 -9.750 5.805 7.340 1.00 0.00 C ATOM 501 CG LYS A 35 -11.110 5.960 6.654 1.00 0.00 C ATOM 502 CD LYS A 35 -11.908 7.049 7.360 1.00 0.00 C ATOM 503 CE LYS A 35 -13.096 7.521 6.536 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.837 8.565 7.274 1.00 0.00 N ATOM 0 H LYS A 35 -7.490 5.206 8.010 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.124 3.863 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.790 6.283 8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.997 6.335 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.973 6.216 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.655 5.016 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.261 6.673 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.255 7.896 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.753 7.914 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.755 6.681 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.648 8.883 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.178 8.176 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.207 9.371 7.461 1.00 0.00 H new ATOM 518 N ALA A 36 -8.393 4.079 5.255 1.00 0.00 N ATOM 519 CA ALA A 36 -8.114 3.388 4.002 1.00 0.00 C ATOM 520 C ALA A 36 -7.557 1.980 4.182 1.00 0.00 C ATOM 521 O ALA A 36 -7.892 1.123 3.374 1.00 0.00 O ATOM 522 CB ALA A 36 -7.102 4.214 3.200 1.00 0.00 C ATOM 0 H ALA A 36 -7.975 5.008 5.308 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.067 3.286 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.884 3.708 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.519 5.200 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.183 4.322 3.776 1.00 0.00 H new ATOM 528 N GLN A 37 -6.779 1.708 5.232 1.00 0.00 N ATOM 529 CA GLN A 37 -6.412 0.358 5.640 1.00 0.00 C ATOM 530 C GLN A 37 -7.656 -0.526 5.611 1.00 0.00 C ATOM 531 O GLN A 37 -7.711 -1.495 4.859 1.00 0.00 O ATOM 532 CB GLN A 37 -5.740 0.444 7.024 1.00 0.00 C ATOM 533 CG GLN A 37 -5.865 -0.807 7.926 1.00 0.00 C ATOM 534 CD GLN A 37 -6.475 -0.562 9.306 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.065 0.337 10.034 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.445 -1.367 9.708 1.00 0.00 N ATOM 0 H GLN A 37 -6.382 2.433 5.829 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.695 -0.100 4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.681 0.656 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.164 1.294 7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.471 -1.550 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.873 -1.240 8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.778 -2.111 9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.860 -1.244 10.632 1.00 0.00 H new ATOM 545 N SER A 38 -8.649 -0.183 6.425 1.00 0.00 N ATOM 546 CA SER A 38 -9.843 -0.973 6.597 1.00 0.00 C ATOM 547 C SER A 38 -10.610 -1.021 5.267 1.00 0.00 C ATOM 548 O SER A 38 -11.006 -2.100 4.822 1.00 0.00 O ATOM 549 CB SER A 38 -10.650 -0.334 7.732 1.00 0.00 C ATOM 550 OG SER A 38 -11.658 -1.197 8.213 1.00 0.00 O ATOM 0 H SER A 38 -8.638 0.667 6.989 1.00 0.00 H new ATOM 0 HA SER A 38 -9.624 -2.006 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.979 -0.068 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.103 0.592 7.378 1.00 0.00 H new ATOM 0 HG SER A 38 -12.149 -0.755 8.937 1.00 0.00 H new ATOM 556 N ILE A 39 -10.782 0.139 4.611 1.00 0.00 N ATOM 557 CA ILE A 39 -11.591 0.267 3.397 1.00 0.00 C ATOM 558 C ILE A 39 -11.039 -0.634 2.283 1.00 0.00 C ATOM 559 O ILE A 39 -11.785 -1.430 1.711 1.00 0.00 O ATOM 560 CB ILE A 39 -11.778 1.742 2.963 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.361 2.551 4.143 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.691 1.827 1.724 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.922 3.928 3.795 1.00 0.00 C ATOM 0 H ILE A 39 -10.359 1.017 4.914 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.597 -0.087 3.622 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.812 2.167 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.154 1.963 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.580 2.677 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.812 2.870 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.242 1.270 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.666 1.401 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.303 4.404 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.132 4.545 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.731 3.819 3.073 1.00 0.00 H new ATOM 575 N TYR A 40 -9.749 -0.506 1.976 1.00 0.00 N ATOM 576 CA TYR A 40 -9.095 -1.183 0.865 1.00 0.00 C ATOM 577 C TYR A 40 -8.676 -2.611 1.262 1.00 0.00 C ATOM 578 O TYR A 40 -8.479 -3.457 0.382 1.00 0.00 O ATOM 579 CB TYR A 40 -7.903 -0.324 0.391 1.00 0.00 C ATOM 580 CG TYR A 40 -8.274 0.980 -0.324 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.877 2.057 0.362 1.00 0.00 C ATOM 582 CD2 TYR A 40 -7.952 1.156 -1.682 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.262 3.231 -0.316 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.284 2.340 -2.356 1.00 0.00 C ATOM 585 CZ TYR A 40 -9.022 3.345 -1.704 1.00 0.00 C ATOM 586 OH TYR A 40 -9.491 4.414 -2.403 1.00 0.00 O ATOM 0 H TYR A 40 -9.115 0.089 2.510 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.789 -1.293 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.286 -0.081 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.289 -0.924 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.046 1.980 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.441 0.367 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.737 4.038 0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.972 2.481 -3.380 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.232 4.329 -3.344 1.00 0.00 H new ATOM 596 N GLY A 41 -8.595 -2.910 2.563 1.00 0.00 N ATOM 597 CA GLY A 41 -8.262 -4.214 3.132 1.00 0.00 C ATOM 598 C GLY A 41 -6.759 -4.416 3.328 1.00 0.00 C ATOM 599 O GLY A 41 -6.270 -5.550 3.360 1.00 0.00 O ATOM 0 H GLY A 41 -8.770 -2.209 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.766 -4.324 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.646 -4.998 2.479 1.00 0.00 H new ATOM 603 N ILE A 42 -6.008 -3.323 3.442 1.00 0.00 N ATOM 604 CA ILE A 42 -4.556 -3.334 3.580 1.00 0.00 C ATOM 605 C ILE A 42 -4.244 -3.368 5.087 1.00 0.00 C ATOM 606 O ILE A 42 -5.017 -2.815 5.869 1.00 0.00 O ATOM 607 CB ILE A 42 -3.957 -2.110 2.841 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.574 -1.999 1.421 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.415 -2.151 2.829 1.00 0.00 C ATOM 610 CD1 ILE A 42 -3.623 -1.694 0.274 1.00 0.00 C ATOM 0 H ILE A 42 -6.403 -2.383 3.441 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.097 -4.209 3.120 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.220 -1.202 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.082 -2.937 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.337 -1.221 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.032 -1.277 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.043 -2.149 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.079 -3.056 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.183 -1.644 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.131 -0.738 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.872 -2.481 0.205 1.00 0.00 H new ATOM 622 N PRO A 43 -3.153 -4.010 5.538 1.00 0.00 N ATOM 623 CA PRO A 43 -2.708 -3.916 6.927 1.00 0.00 C ATOM 624 C PRO A 43 -2.352 -2.470 7.261 1.00 0.00 C ATOM 625 O PRO A 43 -1.849 -1.764 6.386 1.00 0.00 O ATOM 626 CB PRO A 43 -1.458 -4.795 7.034 1.00 0.00 C ATOM 627 CG PRO A 43 -1.503 -5.663 5.778 1.00 0.00 C ATOM 628 CD PRO A 43 -2.229 -4.804 4.758 1.00 0.00 C ATOM 0 HA PRO A 43 -3.486 -4.239 7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.550 -4.193 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.474 -5.402 7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.501 -5.924 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.032 -6.599 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.533 -4.173 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.754 -5.417 4.026 1.00 0.00 H new ATOM 636 N HIS A 44 -2.521 -2.054 8.518 1.00 0.00 N ATOM 637 CA HIS A 44 -2.206 -0.693 8.927 1.00 0.00 C ATOM 638 C HIS A 44 -0.723 -0.451 8.723 1.00 0.00 C ATOM 639 O HIS A 44 -0.374 0.435 7.956 1.00 0.00 O ATOM 640 CB HIS A 44 -2.626 -0.401 10.370 1.00 0.00 C ATOM 641 CG HIS A 44 -2.503 1.060 10.736 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.563 1.904 10.969 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.351 1.791 10.877 1.00 0.00 C ATOM 644 CE1 HIS A 44 -3.066 3.123 11.238 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.724 3.100 11.205 1.00 0.00 N ATOM 0 H HIS A 44 -2.876 -2.646 9.269 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.780 -0.005 8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.658 -0.720 10.514 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.012 -0.993 11.048 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.551 1.650 10.942 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.342 1.424 10.757 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.662 3.998 11.451 1.00 0.00 H new ATOM 653 N SER A 45 0.148 -1.222 9.382 1.00 0.00 N ATOM 654 CA SER A 45 1.584 -0.993 9.287 1.00 0.00 C ATOM 655 C SER A 45 2.061 -1.122 7.839 1.00 0.00 C ATOM 656 O SER A 45 2.908 -0.336 7.427 1.00 0.00 O ATOM 657 CB SER A 45 2.346 -1.935 10.225 1.00 0.00 C ATOM 658 OG SER A 45 1.853 -1.814 11.550 1.00 0.00 O ATOM 0 H SER A 45 -0.118 -2.003 9.981 1.00 0.00 H new ATOM 0 HA SER A 45 1.794 0.027 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.240 -2.964 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.410 -1.700 10.203 1.00 0.00 H new ATOM 0 HG SER A 45 2.346 -2.422 12.139 1.00 0.00 H new ATOM 664 N THR A 46 1.512 -2.045 7.034 1.00 0.00 N ATOM 665 CA THR A 46 1.937 -2.158 5.644 1.00 0.00 C ATOM 666 C THR A 46 1.502 -0.930 4.840 1.00 0.00 C ATOM 667 O THR A 46 2.336 -0.373 4.140 1.00 0.00 O ATOM 668 CB THR A 46 1.462 -3.489 5.048 1.00 0.00 C ATOM 669 OG1 THR A 46 1.846 -4.519 5.947 1.00 0.00 O ATOM 670 CG2 THR A 46 2.070 -3.761 3.669 1.00 0.00 C ATOM 0 H THR A 46 0.790 -2.707 7.319 1.00 0.00 H new ATOM 0 HA THR A 46 3.026 -2.173 5.595 1.00 0.00 H new ATOM 0 HB THR A 46 0.381 -3.450 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.700 -5.392 5.526 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.702 -4.715 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.785 -2.964 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.156 -3.798 3.751 1.00 0.00 H new ATOM 678 N LEU A 47 0.251 -0.472 4.941 1.00 0.00 N ATOM 679 CA LEU A 47 -0.211 0.760 4.321 1.00 0.00 C ATOM 680 C LEU A 47 0.683 1.907 4.764 1.00 0.00 C ATOM 681 O LEU A 47 1.215 2.606 3.918 1.00 0.00 O ATOM 682 CB LEU A 47 -1.682 1.056 4.673 1.00 0.00 C ATOM 683 CG LEU A 47 -2.184 2.342 3.985 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.403 2.108 2.498 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.557 2.744 4.505 1.00 0.00 C ATOM 0 H LEU A 47 -0.476 -0.959 5.465 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.155 0.646 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.305 0.214 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.785 1.157 5.753 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.428 3.101 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.757 3.028 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.464 1.806 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.146 1.322 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.885 3.654 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.270 1.943 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.501 2.923 5.579 1.00 0.00 H new ATOM 697 N GLU A 48 0.860 2.096 6.070 1.00 0.00 N ATOM 698 CA GLU A 48 1.617 3.175 6.668 1.00 0.00 C ATOM 699 C GLU A 48 3.032 3.201 6.076 1.00 0.00 C ATOM 700 O GLU A 48 3.439 4.192 5.474 1.00 0.00 O ATOM 701 CB GLU A 48 1.628 2.978 8.192 1.00 0.00 C ATOM 702 CG GLU A 48 1.827 4.319 8.883 1.00 0.00 C ATOM 703 CD GLU A 48 2.362 4.161 10.297 1.00 0.00 C ATOM 704 OE1 GLU A 48 3.592 3.995 10.458 1.00 0.00 O ATOM 705 OE2 GLU A 48 1.568 4.245 11.258 1.00 0.00 O ATOM 0 H GLU A 48 0.458 1.468 6.766 1.00 0.00 H new ATOM 0 HA GLU A 48 1.159 4.140 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.690 2.527 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.426 2.291 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.519 4.927 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.878 4.855 8.913 1.00 0.00 H new ATOM 712 N TYR A 49 3.753 2.080 6.172 1.00 0.00 N ATOM 713 CA TYR A 49 5.048 1.854 5.547 1.00 0.00 C ATOM 714 C TYR A 49 4.996 2.279 4.089 1.00 0.00 C ATOM 715 O TYR A 49 5.825 3.063 3.645 1.00 0.00 O ATOM 716 CB TYR A 49 5.384 0.355 5.655 1.00 0.00 C ATOM 717 CG TYR A 49 6.568 -0.132 4.847 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.366 -0.558 3.530 1.00 0.00 C ATOM 719 CD2 TYR A 49 7.852 -0.201 5.402 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.434 -0.994 2.734 1.00 0.00 C ATOM 721 CE2 TYR A 49 8.945 -0.596 4.607 1.00 0.00 C ATOM 722 CZ TYR A 49 8.740 -1.001 3.270 1.00 0.00 C ATOM 723 OH TYR A 49 9.803 -1.318 2.482 1.00 0.00 O ATOM 0 H TYR A 49 3.432 1.276 6.711 1.00 0.00 H new ATOM 0 HA TYR A 49 5.817 2.441 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.567 0.121 6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.506 -0.214 5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.367 -0.551 3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.004 0.049 6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.259 -1.322 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.943 -0.589 5.021 1.00 0.00 H new ATOM 0 HH TYR A 49 9.844 -0.699 1.723 1.00 0.00 H new ATOM 733 N LYS A 50 4.043 1.753 3.330 1.00 0.00 N ATOM 734 CA LYS A 50 3.983 1.931 1.896 1.00 0.00 C ATOM 735 C LYS A 50 3.720 3.390 1.522 1.00 0.00 C ATOM 736 O LYS A 50 4.334 3.878 0.581 1.00 0.00 O ATOM 737 CB LYS A 50 2.931 0.967 1.348 1.00 0.00 C ATOM 738 CG LYS A 50 3.413 -0.480 1.219 1.00 0.00 C ATOM 739 CD LYS A 50 4.629 -0.639 0.289 1.00 0.00 C ATOM 740 CE LYS A 50 4.706 -1.979 -0.451 1.00 0.00 C ATOM 741 NZ LYS A 50 5.002 -1.811 -1.892 1.00 0.00 N ATOM 0 H LYS A 50 3.283 1.184 3.704 1.00 0.00 H new ATOM 0 HA LYS A 50 4.945 1.696 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.058 0.991 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.607 1.319 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.670 -0.859 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.595 -1.095 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.613 0.165 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.537 -0.513 0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.477 -2.600 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.761 -2.509 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.044 -2.744 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.254 -1.241 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.917 -1.329 -2.005 1.00 0.00 H new ATOM 755 N VAL A 51 2.893 4.109 2.273 1.00 0.00 N ATOM 756 CA VAL A 51 2.763 5.560 2.202 1.00 0.00 C ATOM 757 C VAL A 51 4.149 6.205 2.398 1.00 0.00 C ATOM 758 O VAL A 51 4.623 6.915 1.516 1.00 0.00 O ATOM 759 CB VAL A 51 1.708 6.030 3.231 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.593 7.547 3.328 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.289 5.524 2.944 1.00 0.00 C ATOM 0 H VAL A 51 2.277 3.687 2.968 1.00 0.00 H new ATOM 0 HA VAL A 51 2.406 5.877 1.222 1.00 0.00 H new ATOM 0 HB VAL A 51 2.084 5.604 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.836 7.808 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.553 7.966 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.308 7.953 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.392 5.896 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.034 5.881 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.283 4.434 2.952 1.00 0.00 H new ATOM 771 N LYS A 52 4.822 5.945 3.524 1.00 0.00 N ATOM 772 CA LYS A 52 6.119 6.533 3.916 1.00 0.00 C ATOM 773 C LYS A 52 7.221 6.299 2.905 1.00 0.00 C ATOM 774 O LYS A 52 8.084 7.151 2.696 1.00 0.00 O ATOM 775 CB LYS A 52 6.487 5.948 5.290 1.00 0.00 C ATOM 776 CG LYS A 52 5.675 6.710 6.338 1.00 0.00 C ATOM 777 CD LYS A 52 5.029 5.815 7.393 1.00 0.00 C ATOM 778 CE LYS A 52 5.310 6.238 8.837 1.00 0.00 C ATOM 779 NZ LYS A 52 6.652 5.822 9.288 1.00 0.00 N ATOM 0 H LYS A 52 4.467 5.291 4.221 1.00 0.00 H new ATOM 0 HA LYS A 52 6.015 7.617 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.260 4.883 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.555 6.054 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.326 7.429 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.895 7.281 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.951 5.805 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.382 4.793 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.220 7.321 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.557 5.804 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.799 6.129 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.731 4.786 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.373 6.257 8.678 1.00 0.00 H new ATOM 793 N GLU A 53 7.179 5.132 2.299 1.00 0.00 N ATOM 794 CA GLU A 53 7.995 4.679 1.208 1.00 0.00 C ATOM 795 C GLU A 53 7.703 5.546 -0.016 1.00 0.00 C ATOM 796 O GLU A 53 8.592 6.252 -0.502 1.00 0.00 O ATOM 797 CB GLU A 53 7.687 3.201 1.027 1.00 0.00 C ATOM 798 CG GLU A 53 8.307 2.327 2.118 1.00 0.00 C ATOM 799 CD GLU A 53 9.755 1.885 1.906 1.00 0.00 C ATOM 800 OE1 GLU A 53 9.964 0.905 1.152 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.648 2.398 2.622 1.00 0.00 O ATOM 0 H GLU A 53 6.511 4.417 2.588 1.00 0.00 H new ATOM 0 HA GLU A 53 9.066 4.778 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.606 3.058 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.055 2.875 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.252 2.871 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.692 1.434 2.229 1.00 0.00 H new ATOM 808 N ARG A 54 6.459 5.510 -0.507 1.00 0.00 N ATOM 809 CA ARG A 54 6.032 6.187 -1.731 1.00 0.00 C ATOM 810 C ARG A 54 6.182 7.704 -1.641 1.00 0.00 C ATOM 811 O ARG A 54 6.326 8.355 -2.676 1.00 0.00 O ATOM 812 CB ARG A 54 4.570 5.818 -2.043 1.00 0.00 C ATOM 813 CG ARG A 54 4.374 4.371 -2.521 1.00 0.00 C ATOM 814 CD ARG A 54 4.916 4.190 -3.934 1.00 0.00 C ATOM 815 NE ARG A 54 4.799 2.795 -4.376 1.00 0.00 N ATOM 816 CZ ARG A 54 5.694 2.115 -5.091 1.00 0.00 C ATOM 817 NH1 ARG A 54 6.739 2.753 -5.606 1.00 0.00 N ATOM 818 NH2 ARG A 54 5.543 0.813 -5.299 1.00 0.00 N ATOM 0 H ARG A 54 5.705 4.996 -0.051 1.00 0.00 H new ATOM 0 HA ARG A 54 6.683 5.849 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.968 5.978 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.191 6.496 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.882 3.687 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.315 4.116 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.371 4.838 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.961 4.498 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 54 3.949 2.298 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.851 3.755 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.429 2.241 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.736 0.325 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.234 0.301 -5.848 1.00 0.00 H new ATOM 832 N LEU A 55 6.203 8.263 -0.429 1.00 0.00 N ATOM 833 CA LEU A 55 6.494 9.666 -0.156 1.00 0.00 C ATOM 834 C LEU A 55 7.917 10.066 -0.574 1.00 0.00 C ATOM 835 O LEU A 55 8.192 11.266 -0.655 1.00 0.00 O ATOM 836 CB LEU A 55 6.252 9.967 1.333 1.00 0.00 C ATOM 837 CG LEU A 55 4.771 10.249 1.674 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.532 10.128 3.182 1.00 0.00 C ATOM 839 CD2 LEU A 55 4.340 11.649 1.223 1.00 0.00 C ATOM 0 H LEU A 55 6.010 7.729 0.418 1.00 0.00 H new ATOM 0 HA LEU A 55 5.816 10.268 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.598 9.121 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.854 10.828 1.624 1.00 0.00 H new ATOM 0 HG LEU A 55 4.178 9.507 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.484 10.330 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.784 9.120 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.158 10.848 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.293 11.808 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.955 12.398 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.465 11.738 0.144 1.00 0.00 H new ATOM 851 N GLY A 56 8.779 9.112 -0.951 1.00 0.00 N ATOM 852 CA GLY A 56 10.058 9.380 -1.599 1.00 0.00 C ATOM 853 C GLY A 56 11.282 8.856 -0.850 1.00 0.00 C ATOM 854 O GLY A 56 12.375 9.386 -1.054 1.00 0.00 O ATOM 0 H GLY A 56 8.599 8.118 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.043 8.938 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.164 10.457 -1.730 1.00 0.00 H new ATOM 858 N THR A 57 11.136 7.833 -0.006 1.00 0.00 N ATOM 859 CA THR A 57 12.261 7.186 0.681 1.00 0.00 C ATOM 860 C THR A 57 12.790 5.949 -0.076 1.00 0.00 C ATOM 861 O THR A 57 13.732 5.277 0.360 1.00 0.00 O ATOM 862 CB THR A 57 11.839 6.849 2.116 1.00 0.00 C ATOM 863 OG1 THR A 57 10.579 6.233 2.184 1.00 0.00 O ATOM 864 CG2 THR A 57 11.745 8.098 2.994 1.00 0.00 C ATOM 0 H THR A 57 10.229 7.426 0.223 1.00 0.00 H new ATOM 0 HA THR A 57 13.099 7.882 0.708 1.00 0.00 H new ATOM 0 HB THR A 57 12.615 6.171 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.900 6.901 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.443 7.812 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.717 8.590 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.008 8.783 2.575 1.00 0.00 H new ATOM 872 N LEU A 58 12.171 5.621 -1.214 1.00 0.00 N ATOM 873 CA LEU A 58 12.423 4.420 -2.005 1.00 0.00 C ATOM 874 C LEU A 58 13.669 4.598 -2.875 1.00 0.00 C ATOM 875 O LEU A 58 13.586 4.609 -4.108 1.00 0.00 O ATOM 876 CB LEU A 58 11.172 4.119 -2.846 1.00 0.00 C ATOM 877 CG LEU A 58 10.032 3.577 -1.971 1.00 0.00 C ATOM 878 CD1 LEU A 58 8.685 3.861 -2.636 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.133 2.061 -1.824 1.00 0.00 C ATOM 0 H LEU A 58 11.449 6.214 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 58 12.620 3.571 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.845 5.026 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.417 3.392 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 58 10.110 4.063 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.881 3.474 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.561 4.937 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.651 3.375 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.315 1.701 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.072 1.595 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.085 1.803 -1.359 1.00 0.00 H new ATOM 891 N LYS A 59 14.835 4.758 -2.248 1.00 0.00 N ATOM 892 CA LYS A 59 16.110 4.809 -2.958 1.00 0.00 C ATOM 893 C LYS A 59 16.336 3.479 -3.680 1.00 0.00 C ATOM 894 O LYS A 59 15.796 2.449 -3.267 1.00 0.00 O ATOM 895 CB LYS A 59 17.234 5.149 -1.961 1.00 0.00 C ATOM 896 CG LYS A 59 18.417 5.876 -2.622 1.00 0.00 C ATOM 897 CD LYS A 59 19.216 6.686 -1.590 1.00 0.00 C ATOM 898 CE LYS A 59 20.376 7.468 -2.224 1.00 0.00 C ATOM 899 NZ LYS A 59 21.487 6.590 -2.640 1.00 0.00 N ATOM 0 H LYS A 59 14.920 4.856 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 59 16.105 5.592 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.830 5.773 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.592 4.230 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 59 19.071 5.149 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.049 6.540 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.548 7.382 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.610 6.011 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.009 8.019 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.746 8.205 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.244 7.165 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.858 6.083 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 21.143 5.903 -3.341 1.00 0.00 H new ATOM 913 N ASN A 60 17.150 3.487 -4.740 1.00 0.00 N ATOM 914 CA ASN A 60 17.308 2.364 -5.675 1.00 0.00 C ATOM 915 C ASN A 60 15.951 1.765 -6.106 1.00 0.00 C ATOM 916 O ASN A 60 15.673 0.589 -5.850 1.00 0.00 O ATOM 917 CB ASN A 60 18.290 1.316 -5.102 1.00 0.00 C ATOM 918 CG ASN A 60 19.713 1.512 -5.591 1.00 0.00 C ATOM 919 OD1 ASN A 60 20.156 2.619 -5.893 1.00 0.00 O ATOM 920 ND2 ASN A 60 20.432 0.427 -5.799 1.00 0.00 N ATOM 0 H ASN A 60 17.731 4.291 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 60 17.752 2.745 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.275 1.368 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.950 0.318 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.361 0.503 -6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.059 -0.488 -5.546 1.00 0.00 H new ATOM 927 N PRO A 61 15.080 2.543 -6.772 1.00 0.00 N ATOM 928 CA PRO A 61 13.791 2.042 -7.231 1.00 0.00 C ATOM 929 C PRO A 61 13.945 1.148 -8.483 1.00 0.00 C ATOM 930 O PRO A 61 14.914 1.287 -9.242 1.00 0.00 O ATOM 931 CB PRO A 61 12.967 3.297 -7.510 1.00 0.00 C ATOM 932 CG PRO A 61 14.023 4.292 -7.990 1.00 0.00 C ATOM 933 CD PRO A 61 15.236 3.946 -7.131 1.00 0.00 C ATOM 0 HA PRO A 61 13.307 1.402 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.203 3.120 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.453 3.651 -6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.234 4.175 -9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.703 5.323 -7.840 1.00 0.00 H new ATOM 0 HD2 PRO A 61 16.163 4.108 -7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 61 15.278 4.575 -6.242 1.00 0.00 H new ATOM 941 N PRO A 62 12.983 0.244 -8.745 1.00 0.00 N ATOM 942 CA PRO A 62 13.065 -0.758 -9.802 1.00 0.00 C ATOM 943 C PRO A 62 12.708 -0.171 -11.180 1.00 0.00 C ATOM 944 O PRO A 62 11.693 -0.537 -11.780 1.00 0.00 O ATOM 945 CB PRO A 62 12.122 -1.875 -9.338 1.00 0.00 C ATOM 946 CG PRO A 62 11.005 -1.093 -8.654 1.00 0.00 C ATOM 947 CD PRO A 62 11.786 0.013 -7.947 1.00 0.00 C ATOM 0 HA PRO A 62 14.076 -1.138 -9.950 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.751 -2.467 -10.174 1.00 0.00 H new ATOM 0 HB3 PRO A 62 12.615 -2.565 -8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.288 -0.693 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.444 -1.710 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.189 0.922 -7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.047 -0.284 -6.931 1.00 0.00 H new ATOM 955 N LYS A 63 13.527 0.756 -11.684 1.00 0.00 N ATOM 956 CA LYS A 63 13.586 1.143 -13.101 1.00 0.00 C ATOM 957 C LYS A 63 14.976 1.644 -13.492 1.00 0.00 C ATOM 958 O LYS A 63 15.346 1.547 -14.659 1.00 0.00 O ATOM 959 CB LYS A 63 12.500 2.180 -13.431 1.00 0.00 C ATOM 960 CG LYS A 63 12.416 2.546 -14.925 1.00 0.00 C ATOM 961 CD LYS A 63 10.986 2.869 -15.387 1.00 0.00 C ATOM 962 CE LYS A 63 10.138 1.588 -15.413 1.00 0.00 C ATOM 963 NZ LYS A 63 8.781 1.798 -15.954 1.00 0.00 N ATOM 0 H LYS A 63 14.187 1.274 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 63 13.389 0.251 -13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.533 1.794 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.691 3.086 -12.856 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.057 3.406 -15.119 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.805 1.718 -15.518 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.535 3.600 -14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.009 3.319 -16.379 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.648 0.835 -16.013 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.061 1.191 -14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.260 0.898 -15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.278 2.495 -15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.847 2.150 -16.931 1.00 0.00 H new ATOM 977 N LYS A 64 15.790 2.124 -12.540 1.00 0.00 N ATOM 978 CA LYS A 64 17.143 2.634 -12.799 1.00 0.00 C ATOM 979 C LYS A 64 17.161 3.688 -13.921 1.00 0.00 C ATOM 980 O LYS A 64 18.073 3.691 -14.744 1.00 0.00 O ATOM 981 CB LYS A 64 18.102 1.463 -13.088 1.00 0.00 C ATOM 982 CG LYS A 64 18.605 0.712 -11.855 1.00 0.00 C ATOM 983 CD LYS A 64 19.297 -0.606 -12.246 1.00 0.00 C ATOM 984 CE LYS A 64 20.537 -0.427 -13.138 1.00 0.00 C ATOM 985 NZ LYS A 64 20.232 -0.213 -14.569 1.00 0.00 N ATOM 0 H LYS A 64 15.523 2.169 -11.557 1.00 0.00 H new ATOM 0 HA LYS A 64 17.491 3.146 -11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.597 0.754 -13.744 1.00 0.00 H new ATOM 0 HB3 LYS A 64 18.963 1.846 -13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 64 19.303 1.342 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.769 0.502 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.590 -1.133 -11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 64 18.579 -1.240 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.115 0.421 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.170 -1.309 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.788 -0.877 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.218 -0.374 -14.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.475 0.763 -14.834 1.00 0.00 H new ATOM 999 N LYS A 65 16.198 4.618 -13.900 1.00 0.00 N ATOM 1000 CA LYS A 65 15.923 5.661 -14.897 1.00 0.00 C ATOM 1001 C LYS A 65 17.157 6.124 -15.668 1.00 0.00 C ATOM 1002 O LYS A 65 17.147 6.128 -16.899 1.00 0.00 O ATOM 1003 CB LYS A 65 15.205 6.833 -14.205 1.00 0.00 C ATOM 1004 CG LYS A 65 14.802 7.961 -15.168 1.00 0.00 C ATOM 1005 CD LYS A 65 14.042 9.049 -14.402 1.00 0.00 C ATOM 1006 CE LYS A 65 13.616 10.173 -15.345 1.00 0.00 C ATOM 1007 NZ LYS A 65 12.799 11.198 -14.664 1.00 0.00 N ATOM 0 H LYS A 65 15.538 4.664 -13.123 1.00 0.00 H new ATOM 0 HA LYS A 65 15.276 5.227 -15.660 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.312 6.457 -13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.856 7.242 -13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.689 8.386 -15.637 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.178 7.563 -15.968 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.164 8.617 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.673 9.451 -13.609 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.503 10.643 -15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.049 9.752 -16.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.534 11.939 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.939 10.757 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.348 11.620 -13.888 1.00 0.00 H new ATOM 1021 N MET A 66 18.207 6.540 -14.955 1.00 0.00 N ATOM 1022 CA MET A 66 19.475 6.918 -15.557 1.00 0.00 C ATOM 1023 C MET A 66 20.619 6.534 -14.613 1.00 0.00 C ATOM 1024 O MET A 66 21.315 7.408 -14.093 1.00 0.00 O ATOM 1025 CB MET A 66 19.407 8.418 -15.900 1.00 0.00 C ATOM 1026 CG MET A 66 20.625 8.896 -16.693 1.00 0.00 C ATOM 1027 SD MET A 66 20.380 10.466 -17.544 1.00 0.00 S ATOM 1028 CE MET A 66 19.428 9.868 -18.960 1.00 0.00 C ATOM 0 H MET A 66 18.195 6.622 -13.938 1.00 0.00 H new ATOM 0 HA MET A 66 19.671 6.384 -16.487 1.00 0.00 H new ATOM 0 HB2 MET A 66 18.503 8.615 -16.476 1.00 0.00 H new ATOM 0 HB3 MET A 66 19.329 8.995 -14.978 1.00 0.00 H new ATOM 0 HG2 MET A 66 21.472 8.991 -16.014 1.00 0.00 H new ATOM 0 HG3 MET A 66 20.889 8.135 -17.427 1.00 0.00 H new ATOM 0 HE1 MET A 66 19.963 10.099 -19.881 1.00 0.00 H new ATOM 0 HE2 MET A 66 19.294 8.789 -18.879 1.00 0.00 H new ATOM 0 HE3 MET A 66 18.453 10.355 -18.975 1.00 0.00 H new ATOM 1038 N LYS A 67 20.784 5.241 -14.306 1.00 0.00 N ATOM 1039 CA LYS A 67 21.904 4.755 -13.489 1.00 0.00 C ATOM 1040 C LYS A 67 22.199 3.288 -13.797 1.00 0.00 C ATOM 1041 O LYS A 67 21.280 2.535 -14.124 1.00 0.00 O ATOM 1042 CB LYS A 67 21.619 5.003 -11.997 1.00 0.00 C ATOM 1043 CG LYS A 67 20.439 4.198 -11.417 1.00 0.00 C ATOM 1044 CD LYS A 67 19.592 5.020 -10.426 1.00 0.00 C ATOM 1045 CE LYS A 67 19.262 4.273 -9.129 1.00 0.00 C ATOM 1046 NZ LYS A 67 20.452 4.147 -8.263 1.00 0.00 N ATOM 0 H LYS A 67 20.149 4.505 -14.615 1.00 0.00 H new ATOM 0 HA LYS A 67 22.805 5.314 -13.742 1.00 0.00 H new ATOM 0 HB2 LYS A 67 22.517 4.765 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 67 21.421 6.065 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.804 3.852 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.822 3.311 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 67 20.126 5.938 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.662 5.313 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.474 4.802 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.876 3.282 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.238 3.510 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 21.243 3.759 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.714 5.084 -7.894 1.00 0.00 H new ATOM 1060 N LEU A 68 23.458 2.861 -13.663 1.00 0.00 N ATOM 1061 CA LEU A 68 23.874 1.503 -14.034 1.00 0.00 C ATOM 1062 C LEU A 68 23.811 0.537 -12.849 1.00 0.00 C ATOM 1063 O LEU A 68 23.464 -0.620 -13.055 1.00 0.00 O ATOM 1064 CB LEU A 68 25.252 1.503 -14.722 1.00 0.00 C ATOM 1065 CG LEU A 68 26.448 1.801 -13.794 1.00 0.00 C ATOM 1066 CD1 LEU A 68 27.197 0.524 -13.401 1.00 0.00 C ATOM 1067 CD2 LEU A 68 27.411 2.791 -14.458 1.00 0.00 C ATOM 0 H LEU A 68 24.213 3.441 -13.297 1.00 0.00 H new ATOM 0 HA LEU A 68 23.156 1.133 -14.765 1.00 0.00 H new ATOM 0 HB2 LEU A 68 25.408 0.530 -15.188 1.00 0.00 H new ATOM 0 HB3 LEU A 68 25.241 2.242 -15.523 1.00 0.00 H new ATOM 0 HG LEU A 68 26.048 2.247 -12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 68 28.032 0.778 -12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 68 26.518 -0.149 -12.878 1.00 0.00 H new ATOM 0 HD13 LEU A 68 27.575 0.033 -14.298 1.00 0.00 H new ATOM 0 HD21 LEU A 68 28.248 2.989 -13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 68 27.784 2.366 -15.390 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.887 3.723 -14.669 1.00 0.00 H new ATOM 1079 N MET A 69 24.070 1.023 -11.629 1.00 0.00 N ATOM 1080 CA MET A 69 24.054 0.317 -10.345 1.00 0.00 C ATOM 1081 C MET A 69 24.323 -1.193 -10.422 1.00 0.00 C ATOM 1082 O MET A 69 23.393 -2.011 -10.375 1.00 0.00 O ATOM 1083 CB MET A 69 22.775 0.657 -9.554 1.00 0.00 C ATOM 1084 CG MET A 69 23.034 1.746 -8.512 1.00 0.00 C ATOM 1085 SD MET A 69 23.470 3.391 -9.125 1.00 0.00 S ATOM 1086 CE MET A 69 25.260 3.373 -8.809 1.00 0.00 C ATOM 0 H MET A 69 24.317 2.005 -11.506 1.00 0.00 H new ATOM 0 HA MET A 69 24.915 0.693 -9.792 1.00 0.00 H new ATOM 0 HB2 MET A 69 21.997 0.988 -10.242 1.00 0.00 H new ATOM 0 HB3 MET A 69 22.402 -0.240 -9.060 1.00 0.00 H new ATOM 0 HG2 MET A 69 22.141 1.842 -7.894 1.00 0.00 H new ATOM 0 HG3 MET A 69 23.838 1.405 -7.860 1.00 0.00 H new ATOM 0 HE1 MET A 69 25.642 4.394 -8.822 1.00 0.00 H new ATOM 0 HE2 MET A 69 25.453 2.925 -7.834 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.760 2.789 -9.582 1.00 0.00 H new ATOM 1096 N ARG A 70 25.612 -1.550 -10.459 1.00 0.00 N ATOM 1097 CA ARG A 70 26.074 -2.877 -10.061 1.00 0.00 C ATOM 1098 C ARG A 70 25.655 -3.162 -8.630 1.00 0.00 C ATOM 1099 O ARG A 70 25.575 -4.347 -8.259 1.00 0.00 O ATOM 1100 CB ARG A 70 27.595 -3.039 -10.292 1.00 0.00 C ATOM 1101 CG ARG A 70 28.575 -2.065 -9.599 1.00 0.00 C ATOM 1102 CD ARG A 70 29.146 -2.477 -8.228 1.00 0.00 C ATOM 1103 NE ARG A 70 28.140 -2.464 -7.160 1.00 0.00 N ATOM 1104 CZ ARG A 70 28.078 -3.254 -6.086 1.00 0.00 C ATOM 1105 NH1 ARG A 70 29.067 -4.071 -5.761 1.00 0.00 N ATOM 1106 NH2 ARG A 70 27.001 -3.232 -5.316 1.00 0.00 N ATOM 0 H ARG A 70 26.359 -0.927 -10.765 1.00 0.00 H new ATOM 0 HA ARG A 70 25.599 -3.626 -10.694 1.00 0.00 H new ATOM 0 HB2 ARG A 70 27.867 -4.049 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.772 -2.973 -11.365 1.00 0.00 H new ATOM 0 HG2 ARG A 70 29.414 -1.896 -10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 70 28.067 -1.109 -9.477 1.00 0.00 H new ATOM 0 HD2 ARG A 70 29.574 -3.477 -8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 70 29.959 -1.802 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 70 27.400 -1.768 -7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 70 29.907 -4.109 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 70 28.989 -4.662 -4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 70 26.223 -2.613 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 70 26.949 -3.834 -4.494 1.00 0.00 H new TER 1120 ARG A 70