USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 733 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 17 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 1:sc= 0.985 USER MOD Set 2.1: A 5 MET CE :methyl -123:sc= -0.291 (180deg=-1.5) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -112:sc= -1.06 (180deg=-2.97!) USER MOD Set 3.1: A 38 THR OG1 : rot -41:sc= 1.01 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -166:sc= 1.26 (180deg=0) USER MOD Set 4.1: A 18 ASN : amide:sc= -1.62 K(o=-1.9,f=-2.8!) USER MOD Set 4.2: A 21 MET CE :methyl 152:sc= -0.29 (180deg=-1.03) USER MOD Set 5.1: A 9 SER OG : rot 139:sc= -1.38 USER MOD Set 5.2: A 25 SER OG : rot -174:sc= 0.385 USER MOD Set 6.1: A 2 ASN : amide:sc= -0.149 X(o=-0.15,f=0.16) USER MOD Set 6.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.693 USER MOD Single : A 6 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.22) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0439) USER MOD Single : A 11 THR OG1 : rot -115:sc= 1.07 USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -2.01! (180deg=-3.53!) USER MOD Single : A 24 LYS NZ :NH3+ -147:sc= 1.03 (180deg=-0.602) USER MOD Single : A 29 HIS : no HD1:sc= 0.417 K(o=0.42,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -3.53! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= -0.178 (180deg=-0.788) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= 0.488 (180deg=-0.1) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= -2.66! (180deg=-3.69!) USER MOD Single : A 86 TYR OH : rot -20:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.162 -16.191 -5.040 1.00 5.27 N ATOM 2 CA SER A 1 7.326 -14.821 -4.490 1.00 4.57 C ATOM 3 C SER A 1 7.356 -13.785 -5.608 1.00 3.87 C ATOM 4 O SER A 1 8.286 -13.756 -6.415 1.00 4.07 O ATOM 5 CB SER A 1 8.614 -14.734 -3.669 1.00 4.91 C ATOM 6 OG SER A 1 8.815 -13.421 -3.172 1.00 5.15 O ATOM 0 H1 SER A 1 7.144 -16.878 -4.260 1.00 5.27 H new ATOM 0 H2 SER A 1 6.270 -16.247 -5.571 1.00 5.27 H new ATOM 0 H3 SER A 1 7.957 -16.408 -5.675 1.00 5.27 H new ATOM 0 HA SER A 1 6.473 -14.610 -3.846 1.00 4.57 H new ATOM 0 HB2 SER A 1 8.567 -15.438 -2.838 1.00 4.91 H new ATOM 0 HB3 SER A 1 9.463 -15.026 -4.287 1.00 4.91 H new ATOM 0 HG SER A 1 9.644 -13.392 -2.650 1.00 5.15 H new ATOM 14 N ASN A 2 6.334 -12.934 -5.651 1.00 3.40 N ATOM 15 CA ASN A 2 6.243 -11.898 -6.674 1.00 2.96 C ATOM 16 C ASN A 2 5.115 -10.917 -6.363 1.00 2.16 C ATOM 17 O ASN A 2 4.019 -11.320 -5.973 1.00 2.43 O ATOM 18 CB ASN A 2 6.017 -12.529 -8.050 1.00 3.50 C ATOM 19 CG ASN A 2 4.736 -13.335 -8.112 1.00 3.39 C ATOM 20 OD1 ASN A 2 4.729 -14.533 -7.825 1.00 3.86 O ATOM 21 ND2 ASN A 2 3.643 -12.683 -8.486 1.00 3.25 N ATOM 0 H ASN A 2 5.558 -12.942 -4.989 1.00 3.40 H new ATOM 0 HA ASN A 2 7.185 -11.349 -6.681 1.00 2.96 H new ATOM 0 HB2 ASN A 2 5.986 -11.744 -8.806 1.00 3.50 H new ATOM 0 HB3 ASN A 2 6.861 -13.174 -8.294 1.00 3.50 H new ATOM 0 HD21 ASN A 2 2.751 -13.174 -8.545 1.00 3.25 H new ATOM 0 HD22 ASN A 2 3.694 -11.690 -8.715 1.00 3.25 H new ATOM 28 N SER A 3 5.395 -9.629 -6.538 1.00 1.75 N ATOM 29 CA SER A 3 4.406 -8.587 -6.283 1.00 1.09 C ATOM 30 C SER A 3 3.604 -8.285 -7.545 1.00 0.88 C ATOM 31 O SER A 3 4.132 -7.729 -8.509 1.00 1.68 O ATOM 32 CB SER A 3 5.094 -7.315 -5.783 1.00 1.05 C ATOM 33 OG SER A 3 6.036 -6.838 -6.729 1.00 1.79 O ATOM 0 H SER A 3 6.300 -9.282 -6.856 1.00 1.75 H new ATOM 0 HA SER A 3 3.721 -8.946 -5.515 1.00 1.09 H new ATOM 0 HB2 SER A 3 4.346 -6.546 -5.590 1.00 1.05 H new ATOM 0 HB3 SER A 3 5.595 -7.517 -4.836 1.00 1.05 H new ATOM 0 HG SER A 3 5.694 -6.988 -7.635 1.00 1.79 H new ATOM 39 N SER A 4 2.324 -8.653 -7.536 1.00 0.65 N ATOM 40 CA SER A 4 1.456 -8.427 -8.688 1.00 0.69 C ATOM 41 C SER A 4 0.448 -7.312 -8.420 1.00 0.84 C ATOM 42 O SER A 4 -0.384 -7.000 -9.272 1.00 1.84 O ATOM 43 CB SER A 4 0.720 -9.715 -9.060 1.00 1.16 C ATOM 44 OG SER A 4 1.629 -10.726 -9.461 1.00 1.99 O ATOM 0 H SER A 4 1.867 -9.108 -6.746 1.00 0.65 H new ATOM 0 HA SER A 4 2.088 -8.119 -9.521 1.00 0.69 H new ATOM 0 HB2 SER A 4 0.137 -10.063 -8.207 1.00 1.16 H new ATOM 0 HB3 SER A 4 0.015 -9.514 -9.867 1.00 1.16 H new ATOM 0 HG SER A 4 1.133 -11.539 -9.692 1.00 1.99 H new ATOM 50 N MET A 5 0.529 -6.717 -7.231 1.00 0.47 N ATOM 51 CA MET A 5 -0.375 -5.634 -6.848 1.00 0.38 C ATOM 52 C MET A 5 -1.835 -6.085 -6.903 1.00 0.54 C ATOM 53 O MET A 5 -2.641 -5.518 -7.638 1.00 1.22 O ATOM 54 CB MET A 5 -0.165 -4.421 -7.756 1.00 0.40 C ATOM 55 CG MET A 5 0.918 -3.476 -7.266 1.00 0.34 C ATOM 56 SD MET A 5 2.496 -4.303 -6.994 1.00 0.56 S ATOM 57 CE MET A 5 3.465 -2.956 -6.320 1.00 0.37 C ATOM 0 H MET A 5 1.212 -6.967 -6.516 1.00 0.47 H new ATOM 0 HA MET A 5 -0.145 -5.354 -5.820 1.00 0.38 H new ATOM 0 HB2 MET A 5 0.092 -4.767 -8.757 1.00 0.40 H new ATOM 0 HB3 MET A 5 -1.104 -3.873 -7.839 1.00 0.40 H new ATOM 0 HG2 MET A 5 1.053 -2.676 -7.994 1.00 0.34 H new ATOM 0 HG3 MET A 5 0.593 -3.009 -6.336 1.00 0.34 H new ATOM 0 HE1 MET A 5 4.354 -2.806 -6.932 1.00 0.37 H new ATOM 0 HE2 MET A 5 2.868 -2.044 -6.317 1.00 0.37 H new ATOM 0 HE3 MET A 5 3.763 -3.197 -5.300 1.00 0.37 H new ATOM 67 N ASN A 6 -2.168 -7.106 -6.116 1.00 0.27 N ATOM 68 CA ASN A 6 -3.530 -7.636 -6.072 1.00 0.24 C ATOM 69 C ASN A 6 -4.529 -6.547 -5.675 1.00 0.24 C ATOM 70 O ASN A 6 -4.573 -6.144 -4.517 1.00 0.25 O ATOM 71 CB ASN A 6 -3.614 -8.793 -5.072 1.00 0.28 C ATOM 72 CG ASN A 6 -2.641 -9.911 -5.398 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.501 -9.913 -4.933 1.00 1.72 O ATOM 74 ND2 ASN A 6 -3.088 -10.868 -6.202 1.00 0.87 N ATOM 0 H ASN A 6 -1.512 -7.584 -5.499 1.00 0.27 H new ATOM 0 HA ASN A 6 -3.783 -7.996 -7.069 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.410 -8.418 -4.069 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.629 -9.189 -5.064 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.479 -11.645 -6.457 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.041 -10.826 -6.564 1.00 0.87 H new ATOM 81 N PRO A 7 -5.367 -6.068 -6.616 1.00 0.25 N ATOM 82 CA PRO A 7 -6.340 -5.018 -6.317 1.00 0.26 C ATOM 83 C PRO A 7 -7.454 -5.516 -5.406 1.00 0.26 C ATOM 84 O PRO A 7 -8.279 -4.734 -4.938 1.00 0.26 O ATOM 85 CB PRO A 7 -6.887 -4.621 -7.689 1.00 0.28 C ATOM 86 CG PRO A 7 -6.667 -5.809 -8.557 1.00 0.43 C ATOM 87 CD PRO A 7 -5.456 -6.522 -8.018 1.00 0.29 C ATOM 0 HA PRO A 7 -5.889 -4.182 -5.782 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -7.945 -4.366 -7.632 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -6.369 -3.746 -8.081 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -7.538 -6.464 -8.545 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -6.509 -5.508 -9.593 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.570 -7.604 -8.080 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.558 -6.263 -8.579 1.00 0.29 H new ATOM 95 N LYS A 8 -7.485 -6.821 -5.169 1.00 0.30 N ATOM 96 CA LYS A 8 -8.491 -7.402 -4.293 1.00 0.33 C ATOM 97 C LYS A 8 -8.097 -7.213 -2.836 1.00 0.27 C ATOM 98 O LYS A 8 -8.871 -6.705 -2.025 1.00 0.26 O ATOM 99 CB LYS A 8 -8.679 -8.894 -4.575 1.00 0.43 C ATOM 100 CG LYS A 8 -9.020 -9.211 -6.018 1.00 0.77 C ATOM 101 CD LYS A 8 -7.767 -9.420 -6.849 1.00 0.59 C ATOM 102 CE LYS A 8 -7.974 -8.952 -8.275 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.089 -9.678 -8.944 1.00 1.39 N ATOM 0 H LYS A 8 -6.829 -7.492 -5.569 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.432 -6.888 -4.488 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.765 -9.422 -4.304 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.472 -9.278 -3.932 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.639 -10.107 -6.059 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.608 -8.397 -6.442 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -6.935 -8.876 -6.402 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.496 -10.476 -6.845 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.184 -7.882 -8.279 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.054 -9.098 -8.842 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.100 -9.440 -9.956 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -8.954 -10.703 -8.830 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -9.993 -9.398 -8.513 1.00 1.39 H new ATOM 117 N SER A 9 -6.878 -7.633 -2.519 1.00 0.26 N ATOM 118 CA SER A 9 -6.357 -7.545 -1.164 1.00 0.26 C ATOM 119 C SER A 9 -5.936 -6.124 -0.811 1.00 0.19 C ATOM 120 O SER A 9 -6.138 -5.673 0.317 1.00 0.23 O ATOM 121 CB SER A 9 -5.170 -8.499 -1.010 1.00 0.33 C ATOM 122 OG SER A 9 -4.930 -8.809 0.348 1.00 0.71 O ATOM 0 H SER A 9 -6.228 -8.041 -3.191 1.00 0.26 H new ATOM 0 HA SER A 9 -7.153 -7.831 -0.476 1.00 0.26 H new ATOM 0 HB2 SER A 9 -5.364 -9.417 -1.565 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.279 -8.046 -1.444 1.00 0.33 H new ATOM 0 HG SER A 9 -4.717 -9.762 0.433 1.00 0.71 H new ATOM 128 N LEU A 10 -5.351 -5.422 -1.773 1.00 0.15 N ATOM 129 CA LEU A 10 -4.904 -4.055 -1.543 1.00 0.20 C ATOM 130 C LEU A 10 -6.077 -3.123 -1.293 1.00 0.19 C ATOM 131 O LEU A 10 -5.887 -1.964 -0.939 1.00 0.27 O ATOM 132 CB LEU A 10 -4.093 -3.533 -2.729 1.00 0.24 C ATOM 133 CG LEU A 10 -2.815 -4.310 -3.052 1.00 0.27 C ATOM 134 CD1 LEU A 10 -1.989 -3.560 -4.082 1.00 0.47 C ATOM 135 CD2 LEU A 10 -1.995 -4.561 -1.797 1.00 0.50 C ATOM 0 H LEU A 10 -5.176 -5.774 -2.714 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.271 -4.074 -0.656 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.732 -3.537 -3.612 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.825 -2.495 -2.534 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.102 -5.277 -3.466 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.083 -4.124 -4.302 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -2.571 -3.437 -4.995 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -1.720 -2.580 -3.689 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.093 -5.115 -2.057 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.719 -3.608 -1.346 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.585 -5.141 -1.087 1.00 0.50 H new ATOM 147 N THR A 11 -7.291 -3.620 -1.479 1.00 0.14 N ATOM 148 CA THR A 11 -8.466 -2.789 -1.270 1.00 0.18 C ATOM 149 C THR A 11 -9.416 -3.418 -0.259 1.00 0.15 C ATOM 150 O THR A 11 -10.610 -3.117 -0.234 1.00 0.18 O ATOM 151 CB THR A 11 -9.194 -2.525 -2.598 1.00 0.25 C ATOM 152 OG1 THR A 11 -9.877 -3.710 -3.026 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.197 -2.090 -3.671 1.00 0.35 C ATOM 0 H THR A 11 -7.486 -4.578 -1.769 1.00 0.14 H new ATOM 0 HA THR A 11 -8.126 -1.835 -0.866 1.00 0.18 H new ATOM 0 HB THR A 11 -9.920 -1.727 -2.445 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.477 -4.035 -3.859 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.726 -1.906 -4.606 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.695 -1.176 -3.352 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.457 -2.877 -3.821 1.00 0.35 H new ATOM 161 N ASP A 12 -8.866 -4.296 0.571 1.00 0.11 N ATOM 162 CA ASP A 12 -9.630 -4.967 1.609 1.00 0.12 C ATOM 163 C ASP A 12 -9.177 -4.436 2.962 1.00 0.11 C ATOM 164 O ASP A 12 -8.014 -4.611 3.330 1.00 0.10 O ATOM 165 CB ASP A 12 -9.422 -6.481 1.536 1.00 0.14 C ATOM 166 CG ASP A 12 -10.481 -7.245 2.305 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.372 -7.324 3.546 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.418 -7.765 1.667 1.00 0.57 O ATOM 0 H ASP A 12 -7.881 -4.560 0.542 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.693 -4.769 1.469 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.435 -6.797 0.493 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.438 -6.730 1.933 1.00 0.14 H new ATOM 173 N PRO A 13 -10.069 -3.771 3.721 1.00 0.11 N ATOM 174 CA PRO A 13 -9.717 -3.202 5.020 1.00 0.11 C ATOM 175 C PRO A 13 -8.891 -4.138 5.896 1.00 0.12 C ATOM 176 O PRO A 13 -8.233 -3.692 6.832 1.00 0.13 O ATOM 177 CB PRO A 13 -11.076 -2.935 5.657 1.00 0.12 C ATOM 178 CG PRO A 13 -11.943 -2.597 4.502 1.00 0.12 C ATOM 179 CD PRO A 13 -11.481 -3.491 3.378 1.00 0.11 C ATOM 0 HA PRO A 13 -9.087 -2.319 4.910 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.446 -3.809 6.194 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -11.028 -2.117 6.375 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.993 -2.771 4.735 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.846 -1.545 4.233 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.071 -4.406 3.324 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.569 -2.998 2.410 1.00 0.11 H new ATOM 187 N LYS A 14 -8.933 -5.432 5.605 1.00 0.13 N ATOM 188 CA LYS A 14 -8.168 -6.397 6.383 1.00 0.15 C ATOM 189 C LYS A 14 -6.679 -6.080 6.279 1.00 0.13 C ATOM 190 O LYS A 14 -5.996 -5.911 7.290 1.00 0.16 O ATOM 191 CB LYS A 14 -8.446 -7.823 5.899 1.00 0.18 C ATOM 192 CG LYS A 14 -8.441 -8.857 7.015 1.00 0.34 C ATOM 193 CD LYS A 14 -7.103 -8.902 7.739 1.00 0.60 C ATOM 194 CE LYS A 14 -5.986 -9.346 6.810 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.696 -9.507 7.531 1.00 1.37 N ATOM 0 H LYS A 14 -9.482 -5.834 4.845 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.474 -6.328 7.427 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.414 -7.846 5.399 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.697 -8.098 5.157 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.232 -8.626 7.728 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.663 -9.840 6.600 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.872 -7.916 8.143 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -7.168 -9.586 8.585 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -6.259 -10.290 6.339 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.866 -8.615 6.011 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.211 -10.361 7.188 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.096 -8.675 7.359 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -4.877 -9.598 8.551 1.00 1.37 H new ATOM 209 N LEU A 15 -6.187 -6.001 5.048 1.00 0.09 N ATOM 210 CA LEU A 15 -4.790 -5.686 4.792 1.00 0.08 C ATOM 211 C LEU A 15 -4.516 -4.221 5.073 1.00 0.08 C ATOM 212 O LEU A 15 -3.521 -3.867 5.698 1.00 0.09 O ATOM 213 CB LEU A 15 -4.434 -5.978 3.332 1.00 0.08 C ATOM 214 CG LEU A 15 -4.420 -7.451 2.931 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.449 -8.205 3.813 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.815 -8.051 3.021 1.00 0.12 C ATOM 0 H LEU A 15 -6.742 -6.153 4.206 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.182 -6.307 5.450 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.145 -5.454 2.693 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.450 -5.556 3.127 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.094 -7.534 1.894 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.439 -9.257 3.527 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.449 -7.787 3.694 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.758 -8.115 4.854 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.779 -9.101 2.730 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.180 -7.970 4.045 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.487 -7.512 2.352 1.00 0.12 H new ATOM 228 N LEU A 16 -5.411 -3.377 4.594 1.00 0.10 N ATOM 229 CA LEU A 16 -5.286 -1.939 4.757 1.00 0.12 C ATOM 230 C LEU A 16 -5.058 -1.559 6.218 1.00 0.16 C ATOM 231 O LEU A 16 -4.158 -0.779 6.528 1.00 0.27 O ATOM 232 CB LEU A 16 -6.538 -1.268 4.201 1.00 0.10 C ATOM 233 CG LEU A 16 -6.917 -1.724 2.794 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.340 -1.314 2.456 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.932 -1.155 1.785 1.00 0.18 C ATOM 0 H LEU A 16 -6.244 -3.667 4.082 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.413 -1.592 4.204 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.373 -1.467 4.873 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.386 -0.189 4.193 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.870 -2.812 2.753 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.586 -1.650 1.449 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.029 -1.768 3.169 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.428 -0.229 2.508 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.207 -1.484 0.783 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.954 -0.066 1.829 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.927 -1.507 2.019 1.00 0.18 H new ATOM 247 N LYS A 17 -5.872 -2.109 7.113 1.00 0.14 N ATOM 248 CA LYS A 17 -5.729 -1.832 8.536 1.00 0.17 C ATOM 249 C LYS A 17 -4.445 -2.461 9.064 1.00 0.18 C ATOM 250 O LYS A 17 -3.872 -2.000 10.052 1.00 0.22 O ATOM 251 CB LYS A 17 -6.938 -2.357 9.309 1.00 0.19 C ATOM 252 CG LYS A 17 -8.228 -1.640 8.964 1.00 0.20 C ATOM 253 CD LYS A 17 -9.423 -2.313 9.612 1.00 0.24 C ATOM 254 CE LYS A 17 -10.677 -1.474 9.459 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.844 -2.089 10.148 1.00 0.88 N ATOM 0 H LYS A 17 -6.634 -2.746 6.879 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.675 -0.753 8.678 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.056 -3.421 9.105 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.749 -2.256 10.378 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.169 -0.603 9.293 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.359 -1.624 7.882 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.581 -3.292 9.160 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.220 -2.479 10.670 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.499 -0.478 9.865 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.904 -1.351 8.400 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.707 -1.560 9.908 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.947 -3.077 9.841 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.695 -2.060 11.177 1.00 0.88 H new ATOM 269 N ASN A 18 -4.003 -3.519 8.391 1.00 0.14 N ATOM 270 CA ASN A 18 -2.777 -4.213 8.759 1.00 0.15 C ATOM 271 C ASN A 18 -1.750 -4.015 7.654 1.00 0.13 C ATOM 272 O ASN A 18 -1.401 -4.959 6.951 1.00 0.11 O ATOM 273 CB ASN A 18 -3.042 -5.711 8.959 1.00 0.16 C ATOM 274 CG ASN A 18 -2.152 -6.320 10.024 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.670 -5.625 10.919 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.936 -7.627 9.940 1.00 0.53 N ATOM 0 H ASN A 18 -4.481 -3.916 7.582 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.401 -3.804 9.697 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.086 -5.858 9.235 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.884 -6.234 8.016 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.351 -8.093 10.634 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.355 -8.165 9.182 1.00 0.53 H new ATOM 283 N ILE A 19 -1.286 -2.773 7.500 1.00 0.13 N ATOM 284 CA ILE A 19 -0.315 -2.438 6.462 1.00 0.12 C ATOM 285 C ILE A 19 0.740 -3.531 6.287 1.00 0.10 C ATOM 286 O ILE A 19 1.005 -3.945 5.164 1.00 0.09 O ATOM 287 CB ILE A 19 0.381 -1.085 6.730 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.591 0.080 6.497 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.613 -0.929 5.844 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.064 0.211 5.059 1.00 0.49 C ATOM 0 H ILE A 19 -1.568 -1.984 8.082 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.886 -2.356 5.537 1.00 0.12 H new ATOM 0 HB ILE A 19 0.699 -1.068 7.773 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.459 -0.049 7.144 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.106 1.010 6.796 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.089 0.030 6.048 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.316 -1.735 6.054 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.315 -0.971 4.796 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.747 1.056 4.976 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.206 0.373 4.407 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.579 -0.702 4.761 1.00 0.49 H new ATOM 302 N PRO A 20 1.379 -4.002 7.380 1.00 0.12 N ATOM 303 CA PRO A 20 2.383 -5.064 7.285 1.00 0.12 C ATOM 304 C PRO A 20 1.885 -6.210 6.420 1.00 0.11 C ATOM 305 O PRO A 20 2.609 -6.746 5.579 1.00 0.14 O ATOM 306 CB PRO A 20 2.532 -5.523 8.730 1.00 0.14 C ATOM 307 CG PRO A 20 2.261 -4.297 9.528 1.00 0.15 C ATOM 308 CD PRO A 20 1.198 -3.544 8.774 1.00 0.14 C ATOM 0 HA PRO A 20 3.316 -4.728 6.832 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.827 -6.319 8.970 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.531 -5.912 8.924 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.922 -4.551 10.532 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.163 -3.695 9.638 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.200 -3.775 9.147 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.329 -2.466 8.863 1.00 0.14 H new ATOM 316 N MET A 21 0.631 -6.573 6.648 1.00 0.10 N ATOM 317 CA MET A 21 -0.027 -7.634 5.907 1.00 0.10 C ATOM 318 C MET A 21 -0.327 -7.161 4.487 1.00 0.08 C ATOM 319 O MET A 21 -0.180 -7.908 3.522 1.00 0.10 O ATOM 320 CB MET A 21 -1.306 -8.019 6.642 1.00 0.13 C ATOM 321 CG MET A 21 -1.700 -9.480 6.503 1.00 0.25 C ATOM 322 SD MET A 21 -0.316 -10.622 6.721 1.00 0.94 S ATOM 323 CE MET A 21 0.468 -9.962 8.191 1.00 0.54 C ATOM 0 H MET A 21 0.041 -6.136 7.356 1.00 0.10 H new ATOM 0 HA MET A 21 0.619 -8.509 5.838 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.185 -7.788 7.700 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.123 -7.399 6.272 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.471 -9.712 7.237 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.140 -9.638 5.518 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.978 -10.765 8.723 1.00 0.54 H new ATOM 0 HE2 MET A 21 1.192 -9.199 7.906 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.288 -9.520 8.839 1.00 0.54 H new ATOM 333 N TRP A 22 -0.773 -5.916 4.379 1.00 0.06 N ATOM 334 CA TRP A 22 -1.050 -5.305 3.091 1.00 0.06 C ATOM 335 C TRP A 22 0.185 -5.405 2.205 1.00 0.06 C ATOM 336 O TRP A 22 0.091 -5.559 0.987 1.00 0.08 O ATOM 337 CB TRP A 22 -1.444 -3.845 3.313 1.00 0.07 C ATOM 338 CG TRP A 22 -1.835 -3.125 2.065 1.00 0.08 C ATOM 339 CD1 TRP A 22 -3.048 -3.162 1.441 1.00 0.09 C ATOM 340 CD2 TRP A 22 -1.009 -2.250 1.296 1.00 0.08 C ATOM 341 NE1 TRP A 22 -3.025 -2.366 0.322 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.782 -1.798 0.209 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.312 -1.806 1.418 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.277 -0.927 -0.751 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.811 -0.940 0.461 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.018 -0.511 -0.611 1.00 0.11 C ATOM 0 H TRP A 22 -0.951 -5.307 5.178 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.871 -5.822 2.594 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.275 -3.807 4.018 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.608 -3.320 3.776 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.901 -3.733 1.778 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.805 -2.221 -0.320 1.00 0.10 H new ATOM 0 HE3 TRP A 22 0.929 -2.132 2.242 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.886 -0.591 -1.577 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.829 -0.589 0.542 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.439 0.163 -1.343 1.00 0.11 H new ATOM 357 N LEU A 23 1.342 -5.313 2.847 1.00 0.06 N ATOM 358 CA LEU A 23 2.623 -5.415 2.171 1.00 0.08 C ATOM 359 C LEU A 23 2.935 -6.866 1.827 1.00 0.10 C ATOM 360 O LEU A 23 3.667 -7.142 0.879 1.00 0.13 O ATOM 361 CB LEU A 23 3.724 -4.846 3.063 1.00 0.09 C ATOM 362 CG LEU A 23 3.781 -3.321 3.137 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.831 -2.877 4.141 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.072 -2.732 1.768 1.00 0.10 C ATOM 0 H LEU A 23 1.416 -5.165 3.854 1.00 0.06 H new ATOM 0 HA LEU A 23 2.574 -4.842 1.245 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.591 -5.238 4.071 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.686 -5.212 2.704 1.00 0.09 H new ATOM 0 HG LEU A 23 2.809 -2.956 3.469 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.858 -1.788 4.181 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.581 -3.270 5.126 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.808 -3.254 3.837 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.109 -1.645 1.840 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.031 -3.105 1.408 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.285 -3.023 1.072 1.00 0.10 H new ATOM 376 N LYS A 24 2.381 -7.796 2.607 1.00 0.10 N ATOM 377 CA LYS A 24 2.590 -9.197 2.386 1.00 0.13 C ATOM 378 C LYS A 24 2.031 -9.592 1.022 1.00 0.13 C ATOM 379 O LYS A 24 2.619 -10.404 0.309 1.00 0.16 O ATOM 380 CB LYS A 24 1.938 -9.987 3.511 1.00 0.17 C ATOM 381 CG LYS A 24 1.737 -11.425 3.169 1.00 0.51 C ATOM 382 CD LYS A 24 2.971 -12.260 3.463 1.00 1.24 C ATOM 383 CE LYS A 24 3.986 -12.187 2.335 1.00 2.30 C ATOM 384 NZ LYS A 24 3.500 -12.868 1.103 1.00 3.29 N ATOM 0 H LYS A 24 1.779 -7.583 3.403 1.00 0.10 H new ATOM 0 HA LYS A 24 3.656 -9.423 2.386 1.00 0.13 H new ATOM 0 HB2 LYS A 24 2.557 -9.914 4.405 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.975 -9.538 3.753 1.00 0.17 H new ATOM 0 HG2 LYS A 24 0.892 -11.817 3.734 1.00 0.51 H new ATOM 0 HG3 LYS A 24 1.483 -11.514 2.113 1.00 0.51 H new ATOM 0 HD2 LYS A 24 3.431 -11.914 4.389 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.678 -13.298 3.621 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.204 -11.143 2.110 1.00 2.30 H new ATOM 0 HE3 LYS A 24 4.921 -12.645 2.658 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 4.306 -13.290 0.599 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 2.824 -13.615 1.363 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.030 -12.175 0.486 1.00 3.29 H new ATOM 398 N SER A 25 0.893 -9.002 0.663 1.00 0.13 N ATOM 399 CA SER A 25 0.269 -9.271 -0.627 1.00 0.15 C ATOM 400 C SER A 25 1.085 -8.614 -1.735 1.00 0.14 C ATOM 401 O SER A 25 0.845 -8.837 -2.922 1.00 0.20 O ATOM 402 CB SER A 25 -1.173 -8.754 -0.650 1.00 0.20 C ATOM 403 OG SER A 25 -1.952 -9.375 0.357 1.00 0.96 O ATOM 0 H SER A 25 0.386 -8.336 1.247 1.00 0.13 H new ATOM 0 HA SER A 25 0.244 -10.349 -0.789 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.178 -7.674 -0.504 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.616 -8.946 -1.627 1.00 0.20 H new ATOM 0 HG SER A 25 -2.889 -9.103 0.260 1.00 0.96 H new ATOM 409 N LEU A 26 2.051 -7.799 -1.322 1.00 0.12 N ATOM 410 CA LEU A 26 2.932 -7.098 -2.248 1.00 0.13 C ATOM 411 C LEU A 26 4.364 -7.587 -2.082 1.00 0.16 C ATOM 412 O LEU A 26 5.283 -7.092 -2.735 1.00 0.28 O ATOM 413 CB LEU A 26 2.875 -5.594 -1.992 1.00 0.14 C ATOM 414 CG LEU A 26 1.477 -4.991 -2.046 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.504 -3.534 -1.615 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.898 -5.127 -3.444 1.00 0.66 C ATOM 0 H LEU A 26 2.244 -7.607 -0.339 1.00 0.12 H new ATOM 0 HA LEU A 26 2.598 -7.302 -3.265 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.306 -5.390 -1.012 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.502 -5.090 -2.728 1.00 0.14 H new ATOM 0 HG LEU A 26 0.838 -5.537 -1.353 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.496 -3.122 -1.661 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.879 -3.464 -0.594 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.157 -2.970 -2.281 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.101 -4.692 -3.468 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.538 -4.605 -4.155 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.841 -6.182 -3.713 1.00 0.66 H new ATOM 428 N ARG A 27 4.537 -8.551 -1.184 1.00 0.15 N ATOM 429 CA ARG A 27 5.847 -9.129 -0.900 1.00 0.21 C ATOM 430 C ARG A 27 6.783 -8.110 -0.260 1.00 0.21 C ATOM 431 O ARG A 27 7.957 -8.397 -0.039 1.00 0.35 O ATOM 432 CB ARG A 27 6.480 -9.696 -2.174 1.00 0.31 C ATOM 433 CG ARG A 27 6.028 -11.109 -2.503 1.00 1.11 C ATOM 434 CD ARG A 27 6.342 -12.070 -1.368 1.00 2.02 C ATOM 435 NE ARG A 27 6.188 -13.464 -1.773 1.00 2.71 N ATOM 436 CZ ARG A 27 6.309 -14.493 -0.939 1.00 3.55 C ATOM 437 NH1 ARG A 27 6.587 -14.285 0.341 1.00 3.89 N ATOM 438 NH2 ARG A 27 6.150 -15.731 -1.386 1.00 4.34 N ATOM 0 H ARG A 27 3.777 -8.953 -0.634 1.00 0.15 H new ATOM 0 HA ARG A 27 5.695 -9.942 -0.190 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.238 -9.042 -3.012 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.565 -9.687 -2.066 1.00 0.31 H new ATOM 0 HG2 ARG A 27 4.956 -11.113 -2.699 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.520 -11.447 -3.415 1.00 1.11 H new ATOM 0 HD2 ARG A 27 7.363 -11.903 -1.024 1.00 2.02 H new ATOM 0 HD3 ARG A 27 5.683 -11.863 -0.525 1.00 2.02 H new ATOM 0 HE ARG A 27 5.976 -13.660 -2.751 1.00 2.71 H new ATOM 0 HH11 ARG A 27 6.709 -13.334 0.688 1.00 3.89 H new ATOM 0 HH12 ARG A 27 6.679 -15.076 0.978 1.00 3.89 H new ATOM 0 HH21 ARG A 27 5.935 -15.894 -2.370 1.00 4.34 H new ATOM 0 HH22 ARG A 27 6.243 -16.520 -0.746 1.00 4.34 H new ATOM 452 N LEU A 28 6.259 -6.925 0.042 1.00 0.14 N ATOM 453 CA LEU A 28 7.058 -5.876 0.664 1.00 0.14 C ATOM 454 C LEU A 28 6.880 -5.874 2.170 1.00 0.13 C ATOM 455 O LEU A 28 7.100 -4.852 2.820 1.00 0.13 O ATOM 456 CB LEU A 28 6.687 -4.502 0.100 1.00 0.16 C ATOM 457 CG LEU A 28 7.109 -4.258 -1.349 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.909 -3.865 -2.194 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.181 -3.185 -1.415 1.00 0.67 C ATOM 0 H LEU A 28 5.287 -6.669 -0.134 1.00 0.14 H new ATOM 0 HA LEU A 28 8.104 -6.083 0.436 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.607 -4.377 0.173 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.140 -3.735 0.728 1.00 0.16 H new ATOM 0 HG LEU A 28 7.522 -5.184 -1.749 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.228 -3.695 -3.222 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.170 -4.666 -2.171 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.467 -2.952 -1.796 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.470 -3.023 -2.453 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.792 -2.256 -0.998 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.051 -3.504 -0.841 1.00 0.67 H new ATOM 471 N HIS A 29 6.467 -7.009 2.734 1.00 0.13 N ATOM 472 CA HIS A 29 6.329 -7.094 4.179 1.00 0.13 C ATOM 473 C HIS A 29 7.691 -6.824 4.786 1.00 0.12 C ATOM 474 O HIS A 29 7.837 -6.603 5.987 1.00 0.13 O ATOM 475 CB HIS A 29 5.804 -8.457 4.625 1.00 0.14 C ATOM 476 CG HIS A 29 6.569 -9.614 4.061 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.563 -9.937 2.720 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.367 -10.528 4.663 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.323 -10.999 2.521 1.00 0.20 C ATOM 480 NE2 HIS A 29 7.823 -11.377 3.684 1.00 0.24 N ATOM 0 H HIS A 29 6.229 -7.860 2.224 1.00 0.13 H new ATOM 0 HA HIS A 29 5.600 -6.358 4.517 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.835 -8.509 5.713 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.758 -8.547 4.331 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.601 -10.580 5.716 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.505 -11.477 1.570 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.447 -12.171 3.831 1.00 0.24 H new ATOM 489 N LYS A 30 8.691 -6.866 3.913 1.00 0.12 N ATOM 490 CA LYS A 30 10.063 -6.586 4.276 1.00 0.12 C ATOM 491 C LYS A 30 10.148 -5.194 4.881 1.00 0.11 C ATOM 492 O LYS A 30 10.850 -4.961 5.865 1.00 0.17 O ATOM 493 CB LYS A 30 10.933 -6.667 3.021 1.00 0.15 C ATOM 494 CG LYS A 30 10.281 -6.088 1.783 1.00 0.28 C ATOM 495 CD LYS A 30 10.498 -6.984 0.584 1.00 0.59 C ATOM 496 CE LYS A 30 11.619 -6.451 -0.273 1.00 0.65 C ATOM 497 NZ LYS A 30 11.782 -7.225 -1.534 1.00 0.72 N ATOM 0 H LYS A 30 8.565 -7.098 2.928 1.00 0.12 H new ATOM 0 HA LYS A 30 10.415 -7.313 5.008 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.870 -6.141 3.206 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.185 -7.711 2.832 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.213 -5.960 1.957 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.692 -5.099 1.581 1.00 0.28 H new ATOM 0 HD2 LYS A 30 10.734 -7.995 0.915 1.00 0.59 H new ATOM 0 HD3 LYS A 30 9.581 -7.046 -0.002 1.00 0.59 H new ATOM 0 HE2 LYS A 30 11.424 -5.406 -0.513 1.00 0.65 H new ATOM 0 HE3 LYS A 30 12.551 -6.480 0.292 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.563 -6.822 -2.090 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.994 -8.218 -1.307 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 10.903 -7.177 -2.087 1.00 0.72 H new ATOM 511 N TYR A 31 9.416 -4.276 4.264 1.00 0.10 N ATOM 512 CA TYR A 31 9.362 -2.894 4.707 1.00 0.10 C ATOM 513 C TYR A 31 8.121 -2.643 5.550 1.00 0.11 C ATOM 514 O TYR A 31 7.664 -1.507 5.672 1.00 0.16 O ATOM 515 CB TYR A 31 9.378 -1.967 3.498 1.00 0.12 C ATOM 516 CG TYR A 31 10.628 -2.113 2.666 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.886 -1.892 3.215 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.552 -2.490 1.335 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.031 -2.041 2.458 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.692 -2.644 0.571 1.00 0.20 C ATOM 521 CZ TYR A 31 12.929 -2.418 1.136 1.00 0.23 C ATOM 522 OH TYR A 31 14.067 -2.570 0.378 1.00 0.28 O ATOM 0 H TYR A 31 8.844 -4.471 3.442 1.00 0.10 H new ATOM 0 HA TYR A 31 10.236 -2.691 5.326 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.507 -2.173 2.876 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.291 -0.935 3.836 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.969 -1.599 4.251 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.585 -2.666 0.887 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.001 -1.863 2.899 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.615 -2.940 -0.465 1.00 0.20 H new ATOM 0 HH TYR A 31 13.821 -2.840 -0.531 1.00 0.28 H new ATOM 532 N SER A 32 7.575 -3.710 6.127 1.00 0.10 N ATOM 533 CA SER A 32 6.393 -3.592 6.967 1.00 0.12 C ATOM 534 C SER A 32 6.686 -2.699 8.152 1.00 0.13 C ATOM 535 O SER A 32 5.906 -1.820 8.481 1.00 0.16 O ATOM 536 CB SER A 32 5.929 -4.964 7.452 1.00 0.13 C ATOM 537 OG SER A 32 5.204 -5.644 6.446 1.00 1.30 O ATOM 0 H SER A 32 7.932 -4.660 6.027 1.00 0.10 H new ATOM 0 HA SER A 32 5.594 -3.150 6.372 1.00 0.12 H new ATOM 0 HB2 SER A 32 6.793 -5.560 7.747 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.305 -4.847 8.338 1.00 0.13 H new ATOM 0 HG SER A 32 4.920 -6.520 6.782 1.00 1.30 H new ATOM 543 N ASP A 33 7.822 -2.933 8.786 1.00 0.12 N ATOM 544 CA ASP A 33 8.225 -2.138 9.939 1.00 0.14 C ATOM 545 C ASP A 33 8.309 -0.657 9.578 1.00 0.14 C ATOM 546 O ASP A 33 7.896 0.209 10.349 1.00 0.20 O ATOM 547 CB ASP A 33 9.580 -2.615 10.457 1.00 0.17 C ATOM 548 CG ASP A 33 9.892 -2.080 11.840 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.487 -2.723 12.830 1.00 1.00 O ATOM 550 OD2 ASP A 33 10.542 -1.017 11.933 1.00 2.21 O ATOM 0 H ASP A 33 8.482 -3.665 8.524 1.00 0.12 H new ATOM 0 HA ASP A 33 7.472 -2.265 10.717 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.594 -3.705 10.481 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.361 -2.301 9.765 1.00 0.17 H new ATOM 555 N ALA A 34 8.848 -0.382 8.397 1.00 0.12 N ATOM 556 CA ALA A 34 9.013 0.990 7.917 1.00 0.13 C ATOM 557 C ALA A 34 7.718 1.588 7.378 1.00 0.12 C ATOM 558 O ALA A 34 7.544 2.806 7.379 1.00 0.15 O ATOM 559 CB ALA A 34 10.092 1.040 6.846 1.00 0.15 C ATOM 0 H ALA A 34 9.181 -1.094 7.748 1.00 0.12 H new ATOM 0 HA ALA A 34 9.310 1.593 8.775 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.208 2.065 6.494 1.00 0.15 H new ATOM 0 HB2 ALA A 34 11.036 0.691 7.264 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.806 0.400 6.011 1.00 0.15 H new ATOM 565 N LEU A 35 6.808 0.738 6.928 1.00 0.10 N ATOM 566 CA LEU A 35 5.552 1.208 6.356 1.00 0.09 C ATOM 567 C LEU A 35 4.364 0.982 7.291 1.00 0.09 C ATOM 568 O LEU A 35 3.261 1.457 7.020 1.00 0.12 O ATOM 569 CB LEU A 35 5.306 0.501 5.019 1.00 0.09 C ATOM 570 CG LEU A 35 5.933 1.148 3.770 1.00 0.19 C ATOM 571 CD1 LEU A 35 7.031 2.156 4.120 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.474 0.068 2.835 1.00 0.14 C ATOM 0 H LEU A 35 6.913 -0.276 6.947 1.00 0.10 H new ATOM 0 HA LEU A 35 5.640 2.284 6.204 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.682 -0.519 5.099 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.229 0.433 4.863 1.00 0.09 H new ATOM 0 HG LEU A 35 5.145 1.704 3.263 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.439 2.582 3.204 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.611 2.952 4.735 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.825 1.652 4.671 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.915 0.536 1.955 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.234 -0.516 3.355 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.660 -0.588 2.527 1.00 0.14 H new ATOM 584 N SER A 36 4.589 0.280 8.396 1.00 0.10 N ATOM 585 CA SER A 36 3.517 -0.011 9.344 1.00 0.10 C ATOM 586 C SER A 36 3.050 1.255 10.048 1.00 0.10 C ATOM 587 O SER A 36 1.850 1.504 10.162 1.00 0.11 O ATOM 588 CB SER A 36 3.973 -1.036 10.386 1.00 0.13 C ATOM 589 OG SER A 36 2.915 -1.378 11.264 1.00 0.95 O ATOM 0 H SER A 36 5.500 -0.097 8.658 1.00 0.10 H new ATOM 0 HA SER A 36 2.684 -0.426 8.777 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.337 -1.932 9.884 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.808 -0.631 10.958 1.00 0.13 H new ATOM 0 HG SER A 36 3.232 -2.035 11.918 1.00 0.95 H new ATOM 595 N GLY A 37 4.006 2.048 10.525 1.00 0.12 N ATOM 596 CA GLY A 37 3.674 3.284 11.210 1.00 0.13 C ATOM 597 C GLY A 37 2.776 4.174 10.377 1.00 0.12 C ATOM 598 O GLY A 37 2.174 5.118 10.889 1.00 0.15 O ATOM 0 H GLY A 37 5.005 1.856 10.449 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.180 3.053 12.154 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.591 3.821 11.453 1.00 0.13 H new ATOM 602 N THR A 38 2.690 3.868 9.086 1.00 0.08 N ATOM 603 CA THR A 38 1.862 4.635 8.172 1.00 0.08 C ATOM 604 C THR A 38 0.677 3.799 7.681 1.00 0.07 C ATOM 605 O THR A 38 0.868 2.705 7.158 1.00 0.08 O ATOM 606 CB THR A 38 2.678 5.114 6.960 1.00 0.09 C ATOM 607 OG1 THR A 38 3.881 5.747 7.405 1.00 0.11 O ATOM 608 CG2 THR A 38 1.870 6.090 6.122 1.00 0.11 C ATOM 0 H THR A 38 3.187 3.090 8.652 1.00 0.08 H new ATOM 0 HA THR A 38 1.490 5.502 8.717 1.00 0.08 H new ATOM 0 HB THR A 38 2.926 4.248 6.347 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.687 6.307 8.185 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.465 6.417 5.269 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.964 5.600 5.765 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.600 6.954 6.729 1.00 0.11 H new ATOM 616 N PRO A 39 -0.565 4.300 7.849 1.00 0.07 N ATOM 617 CA PRO A 39 -1.782 3.592 7.415 1.00 0.08 C ATOM 618 C PRO A 39 -1.859 3.478 5.904 1.00 0.07 C ATOM 619 O PRO A 39 -0.962 3.940 5.208 1.00 0.07 O ATOM 620 CB PRO A 39 -2.909 4.492 7.918 1.00 0.09 C ATOM 621 CG PRO A 39 -2.285 5.835 7.966 1.00 0.09 C ATOM 622 CD PRO A 39 -0.894 5.593 8.464 1.00 0.09 C ATOM 0 HA PRO A 39 -1.820 2.572 7.797 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.768 4.472 7.247 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.264 4.179 8.900 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.277 6.303 6.982 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.833 6.502 8.631 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.207 6.379 8.151 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.853 5.548 9.552 1.00 0.09 H new ATOM 630 N TRP A 40 -2.926 2.868 5.394 1.00 0.07 N ATOM 631 CA TRP A 40 -3.083 2.738 3.953 1.00 0.07 C ATOM 632 C TRP A 40 -3.419 4.084 3.343 1.00 0.07 C ATOM 633 O TRP A 40 -2.790 4.501 2.383 1.00 0.07 O ATOM 634 CB TRP A 40 -4.153 1.704 3.580 1.00 0.08 C ATOM 635 CG TRP A 40 -5.559 2.116 3.909 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.185 2.011 5.119 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.517 2.693 3.010 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.476 2.474 5.022 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.699 2.904 3.744 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.494 3.052 1.656 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.840 3.456 3.175 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.632 3.603 1.094 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.789 3.801 1.853 1.00 0.21 C ATOM 0 H TRP A 40 -3.681 2.463 5.948 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.134 2.383 3.550 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.088 1.502 2.511 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.932 0.769 4.095 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.732 1.622 6.019 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.157 2.493 5.781 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.605 2.901 1.062 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.737 3.607 3.757 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.626 3.885 0.051 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.660 4.235 1.386 1.00 0.21 H new ATOM 654 N ILE A 41 -4.393 4.774 3.929 1.00 0.08 N ATOM 655 CA ILE A 41 -4.813 6.075 3.429 1.00 0.09 C ATOM 656 C ILE A 41 -3.614 6.997 3.235 1.00 0.07 C ATOM 657 O ILE A 41 -3.650 7.915 2.414 1.00 0.08 O ATOM 658 CB ILE A 41 -5.827 6.745 4.378 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.677 7.759 3.611 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.115 7.414 5.548 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.140 7.380 3.548 1.00 0.45 C ATOM 0 H ILE A 41 -4.905 4.452 4.750 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.296 5.907 2.466 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.484 5.974 4.781 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.581 8.736 4.084 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.289 7.856 2.597 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.851 7.880 6.204 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.552 6.666 6.107 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.432 8.175 5.171 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.689 8.139 2.991 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.245 6.417 3.049 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.542 7.310 4.559 1.00 0.45 H new ATOM 673 N GLU A 42 -2.551 6.745 3.995 1.00 0.07 N ATOM 674 CA GLU A 42 -1.339 7.545 3.896 1.00 0.06 C ATOM 675 C GLU A 42 -0.319 6.825 3.026 1.00 0.06 C ATOM 676 O GLU A 42 0.443 7.451 2.291 1.00 0.07 O ATOM 677 CB GLU A 42 -0.763 7.828 5.283 1.00 0.07 C ATOM 678 CG GLU A 42 -1.523 8.897 6.050 1.00 0.09 C ATOM 679 CD GLU A 42 -0.907 9.195 7.403 1.00 1.13 C ATOM 680 OE1 GLU A 42 0.138 9.879 7.442 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.470 8.747 8.423 1.00 2.15 O ATOM 0 H GLU A 42 -2.507 5.994 4.684 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.584 8.502 3.435 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.765 6.905 5.863 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.277 8.137 5.179 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.551 9.812 5.459 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.555 8.575 6.188 1.00 0.09 H new ATOM 688 N LEU A 43 -0.322 5.499 3.120 1.00 0.06 N ATOM 689 CA LEU A 43 0.570 4.667 2.326 1.00 0.07 C ATOM 690 C LEU A 43 0.300 4.923 0.856 1.00 0.08 C ATOM 691 O LEU A 43 1.180 5.323 0.097 1.00 0.10 O ATOM 692 CB LEU A 43 0.316 3.194 2.635 1.00 0.08 C ATOM 693 CG LEU A 43 1.506 2.405 3.186 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.625 2.346 2.167 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.009 3.021 4.475 1.00 0.09 C ATOM 0 H LEU A 43 -0.938 4.976 3.743 1.00 0.06 H new ATOM 0 HA LEU A 43 1.605 4.910 2.565 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.500 3.131 3.355 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.026 2.706 1.722 1.00 0.08 H new ATOM 0 HG LEU A 43 1.169 1.390 3.395 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.462 1.781 2.578 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.267 1.857 1.261 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.953 3.358 1.928 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.855 2.444 4.848 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.324 4.048 4.289 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.210 3.016 5.217 1.00 0.09 H new ATOM 707 N ILE A 44 -0.949 4.682 0.480 1.00 0.09 N ATOM 708 CA ILE A 44 -1.419 4.887 -0.877 1.00 0.10 C ATOM 709 C ILE A 44 -1.182 6.321 -1.343 1.00 0.10 C ATOM 710 O ILE A 44 -1.377 6.644 -2.514 1.00 0.15 O ATOM 711 CB ILE A 44 -2.921 4.561 -0.973 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.747 5.570 -0.166 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.168 3.153 -0.460 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.225 5.557 -0.486 1.00 0.20 C ATOM 0 H ILE A 44 -1.668 4.336 1.116 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.853 4.218 -1.525 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.230 4.626 -2.016 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.615 5.364 0.896 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.356 6.571 -0.348 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.231 2.922 -0.528 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.603 2.442 -1.063 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.847 3.083 0.579 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.737 6.299 0.127 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.371 5.794 -1.540 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.634 4.569 -0.276 1.00 0.20 H new ATOM 726 N TYR A 45 -0.769 7.182 -0.418 1.00 0.08 N ATOM 727 CA TYR A 45 -0.510 8.581 -0.744 1.00 0.08 C ATOM 728 C TYR A 45 0.989 8.891 -0.746 1.00 0.08 C ATOM 729 O TYR A 45 1.409 9.928 -1.260 1.00 0.10 O ATOM 730 CB TYR A 45 -1.241 9.502 0.239 1.00 0.10 C ATOM 731 CG TYR A 45 -2.688 9.799 -0.128 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.431 8.938 -0.938 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.314 10.942 0.351 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.751 9.215 -1.255 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.631 11.225 0.036 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.343 10.359 -0.766 1.00 0.16 C ATOM 737 OH TYR A 45 -6.654 10.636 -1.078 1.00 0.19 O ATOM 0 H TYR A 45 -0.607 6.938 0.559 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.889 8.762 -1.750 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.217 9.047 1.229 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.697 10.444 0.308 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.969 8.041 -1.324 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.762 11.623 0.982 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.313 8.538 -1.882 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.099 12.121 0.417 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.920 11.478 -0.654 1.00 0.19 H new ATOM 747 N LEU A 46 1.796 7.996 -0.170 1.00 0.08 N ATOM 748 CA LEU A 46 3.245 8.192 -0.133 1.00 0.09 C ATOM 749 C LEU A 46 3.820 8.230 -1.542 1.00 0.09 C ATOM 750 O LEU A 46 3.086 8.276 -2.530 1.00 0.11 O ATOM 751 CB LEU A 46 3.948 7.061 0.624 1.00 0.10 C ATOM 752 CG LEU A 46 3.474 6.778 2.049 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.399 5.766 2.708 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.420 8.053 2.874 1.00 0.12 C ATOM 0 H LEU A 46 1.473 7.136 0.273 1.00 0.08 H new ATOM 0 HA LEU A 46 3.417 9.139 0.378 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.838 6.145 0.043 1.00 0.10 H new ATOM 0 HB3 LEU A 46 5.013 7.289 0.661 1.00 0.10 H new ATOM 0 HG LEU A 46 2.465 6.368 1.999 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.057 5.568 3.724 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.391 4.839 2.135 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.413 6.165 2.738 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.079 7.820 3.883 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.414 8.499 2.921 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.728 8.757 2.411 1.00 0.12 H new ATOM 766 N ASP A 47 5.146 8.196 -1.618 1.00 0.09 N ATOM 767 CA ASP A 47 5.844 8.204 -2.896 1.00 0.10 C ATOM 768 C ASP A 47 7.213 7.556 -2.749 1.00 0.10 C ATOM 769 O ASP A 47 7.703 7.381 -1.637 1.00 0.16 O ATOM 770 CB ASP A 47 6.007 9.631 -3.427 1.00 0.11 C ATOM 771 CG ASP A 47 4.684 10.357 -3.578 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.010 10.155 -4.610 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.322 11.127 -2.664 1.00 0.96 O ATOM 0 H ASP A 47 5.761 8.162 -0.805 1.00 0.09 H new ATOM 0 HA ASP A 47 5.246 7.636 -3.608 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.650 10.194 -2.751 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.511 9.599 -4.393 1.00 0.11 H new ATOM 778 N ASP A 48 7.844 7.254 -3.876 1.00 0.12 N ATOM 779 CA ASP A 48 9.160 6.616 -3.870 1.00 0.14 C ATOM 780 C ASP A 48 10.053 7.287 -2.839 1.00 0.14 C ATOM 781 O ASP A 48 10.737 6.624 -2.063 1.00 0.21 O ATOM 782 CB ASP A 48 9.791 6.721 -5.264 1.00 0.17 C ATOM 783 CG ASP A 48 11.307 6.770 -5.225 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.859 7.867 -4.996 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.941 5.715 -5.427 1.00 1.65 O ATOM 0 H ASP A 48 7.469 7.439 -4.806 1.00 0.12 H new ATOM 0 HA ASP A 48 9.050 5.563 -3.609 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.476 5.868 -5.865 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.416 7.616 -5.760 1.00 0.17 H new ATOM 790 N GLU A 49 10.010 8.605 -2.815 1.00 0.14 N ATOM 791 CA GLU A 49 10.805 9.371 -1.864 1.00 0.16 C ATOM 792 C GLU A 49 10.480 8.973 -0.425 1.00 0.13 C ATOM 793 O GLU A 49 11.324 8.414 0.270 1.00 0.19 O ATOM 794 CB GLU A 49 10.575 10.869 -2.055 1.00 0.23 C ATOM 795 CG GLU A 49 11.450 11.733 -1.162 1.00 0.37 C ATOM 796 CD GLU A 49 11.196 13.215 -1.352 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.323 13.763 -0.648 1.00 0.52 O ATOM 798 OE2 GLU A 49 11.871 13.828 -2.205 1.00 0.51 O ATOM 0 H GLU A 49 9.436 9.170 -3.440 1.00 0.14 H new ATOM 0 HA GLU A 49 11.855 9.146 -2.053 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.764 11.128 -3.097 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.528 11.097 -1.855 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.271 11.469 -0.120 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.498 11.519 -1.370 1.00 0.37 H new ATOM 805 N THR A 50 9.245 9.236 0.006 1.00 0.11 N ATOM 806 CA THR A 50 8.826 8.928 1.371 1.00 0.10 C ATOM 807 C THR A 50 9.224 7.513 1.780 1.00 0.09 C ATOM 808 O THR A 50 9.861 7.318 2.813 1.00 0.13 O ATOM 809 CB THR A 50 7.307 9.090 1.547 1.00 0.12 C ATOM 810 OG1 THR A 50 6.930 10.457 1.340 1.00 0.19 O ATOM 811 CG2 THR A 50 6.887 8.646 2.938 1.00 0.14 C ATOM 0 H THR A 50 8.519 9.661 -0.571 1.00 0.11 H new ATOM 0 HA THR A 50 9.340 9.641 2.015 1.00 0.10 H new ATOM 0 HB THR A 50 6.803 8.465 0.809 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.961 10.550 1.452 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.809 8.766 3.048 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.152 7.598 3.081 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.398 9.254 3.684 1.00 0.14 H new ATOM 819 N LEU A 51 8.843 6.535 0.970 1.00 0.09 N ATOM 820 CA LEU A 51 9.163 5.144 1.237 1.00 0.11 C ATOM 821 C LEU A 51 10.638 4.979 1.551 1.00 0.11 C ATOM 822 O LEU A 51 11.008 4.220 2.444 1.00 0.14 O ATOM 823 CB LEU A 51 8.794 4.318 0.020 1.00 0.12 C ATOM 824 CG LEU A 51 7.306 4.001 -0.096 1.00 0.16 C ATOM 825 CD1 LEU A 51 6.511 5.226 -0.499 1.00 0.89 C ATOM 826 CD2 LEU A 51 7.073 2.871 -1.080 1.00 0.74 C ATOM 0 H LEU A 51 8.307 6.684 0.115 1.00 0.09 H new ATOM 0 HA LEU A 51 8.597 4.805 2.105 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.111 4.851 -0.876 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.352 3.382 0.048 1.00 0.12 H new ATOM 0 HG LEU A 51 6.958 3.683 0.887 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.455 4.966 -0.573 1.00 0.89 H new ATOM 0 HD12 LEU A 51 6.641 6.007 0.250 1.00 0.89 H new ATOM 0 HD13 LEU A 51 6.864 5.587 -1.465 1.00 0.89 H new ATOM 0 HD21 LEU A 51 6.005 2.661 -1.147 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.449 3.160 -2.062 1.00 0.74 H new ATOM 0 HD23 LEU A 51 7.597 1.978 -0.739 1.00 0.74 H new ATOM 838 N GLU A 52 11.478 5.692 0.812 1.00 0.10 N ATOM 839 CA GLU A 52 12.910 5.634 1.045 1.00 0.13 C ATOM 840 C GLU A 52 13.187 6.050 2.477 1.00 0.13 C ATOM 841 O GLU A 52 13.914 5.382 3.212 1.00 0.16 O ATOM 842 CB GLU A 52 13.647 6.563 0.086 1.00 0.16 C ATOM 843 CG GLU A 52 15.141 6.300 0.010 1.00 0.33 C ATOM 844 CD GLU A 52 15.877 7.334 -0.820 1.00 0.44 C ATOM 845 OE1 GLU A 52 15.929 8.507 -0.394 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.404 6.970 -1.891 1.00 0.52 O ATOM 0 H GLU A 52 11.193 6.311 0.053 1.00 0.10 H new ATOM 0 HA GLU A 52 13.263 4.617 0.874 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.217 6.458 -0.910 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.484 7.595 0.396 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.555 6.288 1.018 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.310 5.311 -0.416 1.00 0.33 H new ATOM 853 N LYS A 53 12.590 7.172 2.858 1.00 0.13 N ATOM 854 CA LYS A 53 12.729 7.704 4.200 1.00 0.16 C ATOM 855 C LYS A 53 12.321 6.688 5.267 1.00 0.18 C ATOM 856 O LYS A 53 12.928 6.631 6.338 1.00 0.25 O ATOM 857 CB LYS A 53 11.881 8.959 4.326 1.00 0.17 C ATOM 858 CG LYS A 53 12.546 10.186 3.753 1.00 0.42 C ATOM 859 CD LYS A 53 12.339 10.304 2.260 1.00 0.60 C ATOM 860 CE LYS A 53 13.538 9.769 1.506 1.00 1.54 C ATOM 861 NZ LYS A 53 14.776 10.541 1.804 1.00 2.19 N ATOM 0 H LYS A 53 11.999 7.734 2.246 1.00 0.13 H new ATOM 0 HA LYS A 53 13.781 7.939 4.365 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.930 8.799 3.819 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.656 9.134 5.378 1.00 0.17 H new ATOM 0 HG2 LYS A 53 12.150 11.075 4.244 1.00 0.42 H new ATOM 0 HG3 LYS A 53 13.614 10.152 3.968 1.00 0.42 H new ATOM 0 HD2 LYS A 53 11.445 9.753 1.968 1.00 0.60 H new ATOM 0 HD3 LYS A 53 12.172 11.348 1.993 1.00 0.60 H new ATOM 0 HE2 LYS A 53 13.692 8.722 1.767 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.338 9.804 0.435 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 15.390 10.550 0.965 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 14.523 11.517 2.059 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 15.281 10.095 2.597 1.00 2.19 H new ATOM 875 N LYS A 54 11.299 5.884 4.977 1.00 0.13 N ATOM 876 CA LYS A 54 10.827 4.884 5.926 1.00 0.16 C ATOM 877 C LYS A 54 11.871 3.796 6.075 1.00 0.17 C ATOM 878 O LYS A 54 12.300 3.460 7.180 1.00 0.21 O ATOM 879 CB LYS A 54 9.513 4.266 5.443 1.00 0.16 C ATOM 880 CG LYS A 54 8.610 5.252 4.725 1.00 0.25 C ATOM 881 CD LYS A 54 8.120 6.330 5.672 1.00 0.39 C ATOM 882 CE LYS A 54 6.614 6.269 5.840 1.00 0.30 C ATOM 883 NZ LYS A 54 6.167 6.989 7.063 1.00 1.20 N ATOM 0 H LYS A 54 10.786 5.907 4.096 1.00 0.13 H new ATOM 0 HA LYS A 54 10.656 5.367 6.888 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.736 3.435 4.774 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.979 3.852 6.298 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.151 5.709 3.897 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.758 4.725 4.297 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.602 6.212 6.642 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.407 7.310 5.291 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.132 6.705 4.965 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.296 5.228 5.894 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.182 6.733 7.276 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.775 6.724 7.864 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.231 8.015 6.905 1.00 1.20 H new ATOM 897 N GLY A 55 12.268 3.257 4.936 1.00 0.19 N ATOM 898 CA GLY A 55 13.262 2.210 4.900 1.00 0.23 C ATOM 899 C GLY A 55 13.313 1.541 3.545 1.00 0.25 C ATOM 900 O GLY A 55 14.254 0.811 3.234 1.00 0.38 O ATOM 0 H GLY A 55 11.912 3.532 4.021 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.240 2.627 5.138 1.00 0.23 H new ATOM 0 HA3 GLY A 55 13.038 1.467 5.666 1.00 0.23 H new ATOM 904 N VAL A 56 12.284 1.791 2.739 1.00 0.17 N ATOM 905 CA VAL A 56 12.201 1.237 1.399 1.00 0.21 C ATOM 906 C VAL A 56 13.246 1.893 0.504 1.00 0.40 C ATOM 907 O VAL A 56 12.956 2.840 -0.222 1.00 0.89 O ATOM 908 CB VAL A 56 10.798 1.451 0.801 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.610 0.615 -0.444 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.715 1.147 1.832 1.00 0.17 C ATOM 0 H VAL A 56 11.492 2.379 2.998 1.00 0.17 H new ATOM 0 HA VAL A 56 12.391 0.165 1.459 1.00 0.21 H new ATOM 0 HB VAL A 56 10.708 2.500 0.518 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.612 0.783 -0.848 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.355 0.898 -1.188 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.728 -0.440 -0.195 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.733 1.305 1.386 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.803 0.110 2.157 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.834 1.808 2.691 1.00 0.17 H new ATOM 920 N LEU A 57 14.461 1.366 0.562 1.00 0.21 N ATOM 921 CA LEU A 57 15.583 1.906 -0.200 1.00 0.26 C ATOM 922 C LEU A 57 15.672 1.313 -1.600 1.00 0.36 C ATOM 923 O LEU A 57 16.352 1.860 -2.470 1.00 0.83 O ATOM 924 CB LEU A 57 16.883 1.647 0.565 1.00 0.34 C ATOM 925 CG LEU A 57 17.240 2.677 1.649 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.997 3.383 2.175 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.980 2.003 2.794 1.00 0.55 C ATOM 0 H LEU A 57 14.698 0.556 1.135 1.00 0.21 H new ATOM 0 HA LEU A 57 15.422 2.978 -0.318 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.818 0.664 1.032 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.702 1.605 -0.153 1.00 0.34 H new ATOM 0 HG LEU A 57 17.888 3.427 1.195 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.285 4.104 2.940 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.499 3.902 1.356 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.317 2.649 2.606 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.227 2.744 3.554 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.347 1.231 3.232 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.897 1.550 2.418 1.00 0.55 H new ATOM 939 N ALA A 58 14.992 0.198 -1.818 1.00 0.21 N ATOM 940 CA ALA A 58 15.006 -0.457 -3.117 1.00 0.17 C ATOM 941 C ALA A 58 14.224 0.337 -4.142 1.00 0.13 C ATOM 942 O ALA A 58 12.996 0.379 -4.095 1.00 0.12 O ATOM 943 CB ALA A 58 14.429 -1.852 -3.011 1.00 0.18 C ATOM 0 H ALA A 58 14.424 -0.272 -1.113 1.00 0.21 H new ATOM 0 HA ALA A 58 16.044 -0.517 -3.444 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.447 -2.328 -3.991 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.023 -2.439 -2.311 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.401 -1.794 -2.654 1.00 0.18 H new ATOM 949 N LEU A 59 14.939 0.968 -5.066 1.00 0.14 N ATOM 950 CA LEU A 59 14.291 1.729 -6.121 1.00 0.13 C ATOM 951 C LEU A 59 13.233 0.859 -6.769 1.00 0.12 C ATOM 952 O LEU A 59 12.224 1.346 -7.272 1.00 0.14 O ATOM 953 CB LEU A 59 15.313 2.181 -7.168 1.00 0.15 C ATOM 954 CG LEU A 59 16.061 3.475 -6.840 1.00 0.19 C ATOM 955 CD1 LEU A 59 15.112 4.663 -6.885 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.731 3.375 -5.479 1.00 0.27 C ATOM 0 H LEU A 59 15.958 0.967 -5.104 1.00 0.14 H new ATOM 0 HA LEU A 59 13.830 2.620 -5.693 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.044 1.384 -7.305 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.799 2.310 -8.121 1.00 0.15 H new ATOM 0 HG LEU A 59 16.836 3.625 -7.591 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.660 5.575 -6.649 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.680 4.746 -7.882 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.315 4.520 -6.155 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.258 4.305 -5.264 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.975 3.200 -4.713 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.441 2.548 -5.483 1.00 0.27 H new ATOM 968 N GLY A 60 13.486 -0.442 -6.747 1.00 0.12 N ATOM 969 CA GLY A 60 12.554 -1.384 -7.308 1.00 0.12 C ATOM 970 C GLY A 60 11.342 -1.587 -6.423 1.00 0.11 C ATOM 971 O GLY A 60 10.220 -1.665 -6.911 1.00 0.14 O ATOM 0 H GLY A 60 14.327 -0.858 -6.347 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.231 -1.033 -8.288 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.054 -2.340 -7.461 1.00 0.12 H new ATOM 975 N ALA A 61 11.573 -1.657 -5.114 1.00 0.10 N ATOM 976 CA ALA A 61 10.499 -1.877 -4.148 1.00 0.10 C ATOM 977 C ALA A 61 9.610 -0.650 -3.944 1.00 0.11 C ATOM 978 O ALA A 61 8.390 -0.739 -4.095 1.00 0.16 O ATOM 979 CB ALA A 61 11.076 -2.330 -2.818 1.00 0.13 C ATOM 0 H ALA A 61 12.499 -1.564 -4.696 1.00 0.10 H new ATOM 0 HA ALA A 61 9.862 -2.658 -4.563 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.266 -2.491 -2.106 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.626 -3.260 -2.958 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.750 -1.564 -2.434 1.00 0.13 H new ATOM 985 N ARG A 62 10.204 0.495 -3.599 1.00 0.14 N ATOM 986 CA ARG A 62 9.412 1.695 -3.352 1.00 0.16 C ATOM 987 C ARG A 62 8.680 2.165 -4.589 1.00 0.11 C ATOM 988 O ARG A 62 7.451 2.233 -4.601 1.00 0.11 O ATOM 989 CB ARG A 62 10.258 2.839 -2.790 1.00 0.23 C ATOM 990 CG ARG A 62 11.614 3.038 -3.441 1.00 0.32 C ATOM 991 CD ARG A 62 12.299 4.273 -2.868 1.00 0.23 C ATOM 992 NE ARG A 62 13.585 4.550 -3.505 1.00 0.21 N ATOM 993 CZ ARG A 62 14.135 5.762 -3.556 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.501 6.806 -3.040 1.00 0.81 N ATOM 995 NH2 ARG A 62 15.317 5.934 -4.128 1.00 0.48 N ATOM 0 H ARG A 62 11.211 0.613 -3.487 1.00 0.14 H new ATOM 0 HA ARG A 62 8.673 1.410 -2.603 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.691 3.765 -2.884 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.409 2.665 -1.725 1.00 0.23 H new ATOM 0 HG2 ARG A 62 12.237 2.159 -3.276 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.495 3.147 -4.519 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.644 5.136 -2.989 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.450 4.136 -1.797 1.00 0.23 H new ATOM 0 HE ARG A 62 14.088 3.773 -3.934 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.588 6.683 -2.602 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.926 7.732 -3.081 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.809 5.137 -4.531 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.735 6.864 -4.165 1.00 0.48 H new ATOM 1009 N ARG A 63 9.434 2.506 -5.619 1.00 0.12 N ATOM 1010 CA ARG A 63 8.836 2.966 -6.867 1.00 0.13 C ATOM 1011 C ARG A 63 7.723 2.011 -7.302 1.00 0.12 C ATOM 1012 O ARG A 63 6.827 2.389 -8.057 1.00 0.14 O ATOM 1013 CB ARG A 63 9.884 3.073 -7.972 1.00 0.16 C ATOM 1014 CG ARG A 63 10.999 4.057 -7.665 1.00 0.79 C ATOM 1015 CD ARG A 63 11.843 4.345 -8.896 1.00 0.75 C ATOM 1016 NE ARG A 63 12.397 3.126 -9.480 1.00 1.33 N ATOM 1017 CZ ARG A 63 13.100 3.101 -10.607 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.334 4.225 -11.272 1.00 1.33 N ATOM 1019 NH2 ARG A 63 13.570 1.951 -11.073 1.00 2.47 N ATOM 0 H ARG A 63 10.454 2.475 -5.620 1.00 0.12 H new ATOM 0 HA ARG A 63 8.416 3.957 -6.693 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.318 2.088 -8.145 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.393 3.372 -8.898 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.572 4.987 -7.290 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.633 3.655 -6.874 1.00 0.79 H new ATOM 0 HD2 ARG A 63 11.234 4.859 -9.640 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.656 5.020 -8.628 1.00 0.75 H new ATOM 0 HE ARG A 63 12.235 2.244 -8.995 1.00 1.33 H new ATOM 0 HH11 ARG A 63 12.974 5.111 -10.918 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.874 4.203 -12.137 1.00 1.33 H new ATOM 0 HH21 ARG A 63 13.392 1.084 -10.566 1.00 2.47 H new ATOM 0 HH22 ARG A 63 14.110 1.934 -11.938 1.00 2.47 H new ATOM 1033 N LYS A 64 7.790 0.767 -6.819 1.00 0.10 N ATOM 1034 CA LYS A 64 6.778 -0.236 -7.139 1.00 0.13 C ATOM 1035 C LYS A 64 5.510 -0.003 -6.339 1.00 0.11 C ATOM 1036 O LYS A 64 4.408 -0.056 -6.880 1.00 0.12 O ATOM 1037 CB LYS A 64 7.299 -1.639 -6.846 1.00 0.18 C ATOM 1038 CG LYS A 64 7.647 -2.433 -8.096 1.00 0.76 C ATOM 1039 CD LYS A 64 7.668 -3.930 -7.821 1.00 1.33 C ATOM 1040 CE LYS A 64 8.929 -4.350 -7.084 1.00 1.80 C ATOM 1041 NZ LYS A 64 10.143 -4.201 -7.933 1.00 2.52 N ATOM 0 H LYS A 64 8.534 0.434 -6.206 1.00 0.10 H new ATOM 0 HA LYS A 64 6.553 -0.146 -8.202 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.185 -1.564 -6.215 1.00 0.18 H new ATOM 0 HB3 LYS A 64 6.547 -2.185 -6.276 1.00 0.18 H new ATOM 0 HG2 LYS A 64 6.921 -2.217 -8.879 1.00 0.76 H new ATOM 0 HG3 LYS A 64 8.621 -2.117 -8.469 1.00 0.76 H new ATOM 0 HD2 LYS A 64 6.794 -4.204 -7.231 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.599 -4.474 -8.763 1.00 1.33 H new ATOM 0 HE2 LYS A 64 9.040 -3.748 -6.182 1.00 1.80 H new ATOM 0 HE3 LYS A 64 8.834 -5.388 -6.765 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 10.924 -4.751 -7.522 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 9.941 -4.550 -8.892 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 10.413 -3.198 -7.979 1.00 2.52 H new ATOM 1055 N LEU A 65 5.674 0.230 -5.043 1.00 0.11 N ATOM 1056 CA LEU A 65 4.543 0.475 -4.167 1.00 0.11 C ATOM 1057 C LEU A 65 3.691 1.617 -4.696 1.00 0.08 C ATOM 1058 O LEU A 65 2.486 1.665 -4.459 1.00 0.09 O ATOM 1059 CB LEU A 65 5.025 0.780 -2.756 1.00 0.13 C ATOM 1060 CG LEU A 65 5.061 -0.432 -1.830 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.346 -0.450 -1.026 1.00 0.22 C ATOM 1062 CD2 LEU A 65 3.853 -0.430 -0.912 1.00 0.23 C ATOM 0 H LEU A 65 6.582 0.254 -4.578 1.00 0.11 H new ATOM 0 HA LEU A 65 3.928 -0.424 -4.139 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.025 1.210 -2.811 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.375 1.538 -2.318 1.00 0.13 H new ATOM 0 HG LEU A 65 5.029 -1.335 -2.439 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.353 -1.322 -0.371 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.198 -0.498 -1.704 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.411 0.456 -0.424 1.00 0.22 H new ATOM 0 HD21 LEU A 65 3.892 -1.300 -0.257 1.00 0.23 H new ATOM 0 HD22 LEU A 65 3.856 0.478 -0.309 1.00 0.23 H new ATOM 0 HD23 LEU A 65 2.942 -0.466 -1.509 1.00 0.23 H new ATOM 1074 N LEU A 66 4.330 2.538 -5.412 1.00 0.08 N ATOM 1075 CA LEU A 66 3.624 3.669 -5.996 1.00 0.09 C ATOM 1076 C LEU A 66 2.482 3.180 -6.875 1.00 0.11 C ATOM 1077 O LEU A 66 1.489 3.881 -7.070 1.00 0.14 O ATOM 1078 CB LEU A 66 4.588 4.543 -6.794 1.00 0.11 C ATOM 1079 CG LEU A 66 5.272 5.638 -5.978 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.675 5.901 -6.497 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.441 6.912 -6.004 1.00 0.14 C ATOM 0 H LEU A 66 5.332 2.522 -5.600 1.00 0.08 H new ATOM 0 HA LEU A 66 3.203 4.273 -5.192 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.353 3.906 -7.238 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.043 5.007 -7.616 1.00 0.11 H new ATOM 0 HG LEU A 66 5.353 5.298 -4.945 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.143 6.684 -5.901 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.267 4.988 -6.425 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.624 6.219 -7.538 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.940 7.684 -5.418 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.329 7.253 -7.033 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.457 6.713 -5.579 1.00 0.14 H new ATOM 1093 N LYS A 67 2.631 1.968 -7.403 1.00 0.12 N ATOM 1094 CA LYS A 67 1.598 1.372 -8.234 1.00 0.16 C ATOM 1095 C LYS A 67 0.487 0.852 -7.342 1.00 0.14 C ATOM 1096 O LYS A 67 -0.696 0.971 -7.657 1.00 0.16 O ATOM 1097 CB LYS A 67 2.160 0.231 -9.075 1.00 0.22 C ATOM 1098 CG LYS A 67 1.156 -0.319 -10.072 1.00 0.84 C ATOM 1099 CD LYS A 67 1.825 -1.214 -11.090 1.00 1.26 C ATOM 1100 CE LYS A 67 2.118 -2.592 -10.520 1.00 1.56 C ATOM 1101 NZ LYS A 67 3.289 -2.579 -9.599 1.00 2.20 N ATOM 0 H LYS A 67 3.456 1.384 -7.269 1.00 0.12 H new ATOM 0 HA LYS A 67 1.211 2.132 -8.913 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.042 0.582 -9.611 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.487 -0.573 -8.415 1.00 0.22 H new ATOM 0 HG2 LYS A 67 0.385 -0.879 -9.543 1.00 0.84 H new ATOM 0 HG3 LYS A 67 0.658 0.506 -10.582 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.184 -1.311 -11.966 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.754 -0.753 -11.425 1.00 1.26 H new ATOM 0 HE2 LYS A 67 1.241 -2.957 -9.986 1.00 1.56 H new ATOM 0 HE3 LYS A 67 2.307 -3.289 -11.336 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 4.074 -3.109 -10.028 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 3.586 -1.597 -9.429 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 3.025 -3.022 -8.696 1.00 2.20 H new ATOM 1115 N ALA A 68 0.893 0.279 -6.213 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.044 -0.258 -5.241 1.00 0.14 C ATOM 1117 C ALA A 68 -0.800 0.875 -4.564 1.00 0.13 C ATOM 1118 O ALA A 68 -1.892 0.682 -4.037 1.00 0.23 O ATOM 1119 CB ALA A 68 0.692 -1.102 -4.208 1.00 0.17 C ATOM 0 H ALA A 68 1.873 0.176 -5.951 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.762 -0.895 -5.758 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.022 -1.498 -3.486 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.199 -1.928 -4.707 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.427 -0.485 -3.691 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.206 2.060 -4.591 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.800 3.239 -3.983 1.00 0.11 C ATOM 1127 C PHE A 69 -2.003 3.729 -4.784 1.00 0.10 C ATOM 1128 O PHE A 69 -3.033 4.092 -4.215 1.00 0.12 O ATOM 1129 CB PHE A 69 0.244 4.356 -3.892 1.00 0.11 C ATOM 1130 CG PHE A 69 1.355 4.109 -2.900 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.306 3.048 -2.003 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.451 4.955 -2.864 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.327 2.843 -1.095 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.474 4.751 -1.959 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.412 3.695 -1.073 1.00 0.12 C ATOM 0 H PHE A 69 0.697 2.229 -5.033 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.141 2.969 -2.984 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.684 4.504 -4.878 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.261 5.285 -3.626 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.460 2.376 -2.016 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.506 5.785 -3.553 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.276 2.016 -0.402 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.323 5.418 -1.945 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.211 3.536 -0.364 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.868 3.735 -6.107 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.946 4.203 -6.958 1.00 0.13 C ATOM 1147 C GLY A 70 -4.097 3.229 -7.058 1.00 0.13 C ATOM 1148 O GLY A 70 -5.259 3.628 -6.983 1.00 0.13 O ATOM 0 H GLY A 70 -1.033 3.425 -6.604 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.316 5.153 -6.573 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.554 4.394 -7.957 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.782 1.954 -7.234 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.809 0.928 -7.342 1.00 0.15 C ATOM 1154 C ILE A 71 -5.740 0.975 -6.137 1.00 0.13 C ATOM 1155 O ILE A 71 -6.949 0.774 -6.263 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.182 -0.473 -7.453 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.200 -0.518 -8.623 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.265 -1.526 -7.626 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.136 -1.581 -8.478 1.00 0.25 C ATOM 0 H ILE A 71 -2.826 1.606 -7.305 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.382 1.128 -8.248 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.638 -0.688 -6.533 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.754 -0.693 -9.545 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.719 0.455 -8.721 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -4.805 -2.511 -7.703 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -5.934 -1.504 -6.766 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -5.833 -1.319 -8.533 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.475 -1.555 -9.344 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.557 -1.395 -7.574 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.608 -2.561 -8.411 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.166 1.241 -4.968 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.946 1.328 -3.738 1.00 0.11 C ATOM 1173 C VAL A 72 -6.794 2.587 -3.741 1.00 0.12 C ATOM 1174 O VAL A 72 -7.984 2.554 -3.430 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.048 1.341 -2.490 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.881 1.491 -1.223 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.193 0.087 -2.429 1.00 0.12 C ATOM 0 H VAL A 72 -4.166 1.400 -4.846 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.582 0.444 -3.700 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.383 2.202 -2.560 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.223 1.497 -0.354 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.439 2.427 -1.263 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.578 0.656 -1.145 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.566 0.117 -1.538 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.837 -0.791 -2.389 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.562 0.034 -3.316 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.157 3.700 -4.089 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.823 4.992 -4.138 1.00 0.16 C ATOM 1189 C ILE A 73 -8.089 4.930 -4.982 1.00 0.19 C ATOM 1190 O ILE A 73 -9.161 5.300 -4.523 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.884 6.077 -4.712 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.878 6.530 -3.655 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.689 7.259 -5.226 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.770 7.404 -4.202 1.00 0.16 C ATOM 0 H ILE A 73 -5.170 3.730 -4.343 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.092 5.253 -3.114 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.332 5.648 -5.548 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.407 7.076 -2.874 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.437 5.651 -3.186 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -6.012 8.014 -5.627 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.365 6.924 -6.012 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.268 7.688 -4.408 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.096 7.686 -3.393 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.215 6.855 -4.962 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.200 8.302 -4.645 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.947 4.472 -6.217 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.076 4.365 -7.138 1.00 0.21 C ATOM 1208 C ASP A 74 -10.251 3.624 -6.501 1.00 0.19 C ATOM 1209 O ASP A 74 -11.363 4.150 -6.462 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.641 3.653 -8.422 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.680 3.747 -9.523 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.838 4.844 -10.099 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.332 2.721 -9.811 1.00 0.55 O ATOM 0 H ASP A 74 -7.056 4.166 -6.609 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.408 5.375 -7.378 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.705 4.086 -8.774 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.444 2.604 -8.202 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.018 2.405 -6.011 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.088 1.637 -5.377 1.00 0.25 C ATOM 1220 C TYR A 75 -11.616 2.393 -4.167 1.00 0.27 C ATOM 1221 O TYR A 75 -12.793 2.305 -3.830 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.607 0.231 -4.995 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.819 -0.804 -6.091 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.107 -0.416 -7.395 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -10.738 -2.164 -5.821 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.304 -1.348 -8.393 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -10.932 -3.105 -6.816 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.216 -2.691 -8.100 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.412 -3.624 -9.094 1.00 1.24 O ATOM 0 H TYR A 75 -9.113 1.935 -6.040 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.903 1.513 -6.090 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.546 0.274 -4.747 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.132 -0.092 -4.096 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.178 0.635 -7.631 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.520 -2.493 -4.816 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.526 -1.026 -9.400 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -10.861 -4.158 -6.588 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.314 -4.525 -8.721 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.730 3.134 -3.517 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.105 3.950 -2.373 1.00 0.30 C ATOM 1241 C LYS A 76 -11.986 5.095 -2.863 1.00 0.37 C ATOM 1242 O LYS A 76 -12.926 5.520 -2.190 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.836 4.488 -1.692 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.040 5.744 -0.859 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.191 6.883 -1.399 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.242 7.428 -0.344 1.00 0.75 C ATOM 1247 NZ LYS A 76 -8.975 8.088 0.770 1.00 1.66 N ATOM 0 H LYS A 76 -9.742 3.186 -3.765 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.659 3.359 -1.644 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.426 3.707 -1.051 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.090 4.695 -2.459 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.092 6.029 -0.871 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.775 5.546 0.180 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.618 6.534 -2.258 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.840 7.684 -1.753 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.634 6.615 0.052 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.559 8.143 -0.804 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.302 8.606 1.370 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -9.674 8.752 0.380 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.463 7.367 1.340 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.654 5.575 -4.056 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.364 6.658 -4.708 1.00 0.36 C ATOM 1263 C GLU A 77 -13.685 6.176 -5.307 1.00 0.34 C ATOM 1264 O GLU A 77 -14.616 6.960 -5.497 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.471 7.243 -5.802 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.290 8.037 -5.266 1.00 0.49 C ATOM 1267 CD GLU A 77 -9.725 9.006 -6.286 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -8.874 8.585 -7.097 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -10.136 10.186 -6.275 1.00 1.09 O ATOM 0 H GLU A 77 -10.872 5.214 -4.602 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.600 7.423 -3.968 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.098 6.432 -6.427 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.072 7.889 -6.442 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.601 8.590 -4.380 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.506 7.348 -4.953 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.754 4.881 -5.602 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.942 4.284 -6.204 1.00 0.33 C ATOM 1278 C ARG A 78 -15.860 3.668 -5.156 1.00 0.36 C ATOM 1279 O ARG A 78 -16.774 2.913 -5.490 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.533 3.211 -7.210 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.897 3.764 -8.476 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.394 2.646 -9.377 1.00 0.42 C ATOM 1283 NE ARG A 78 -14.469 1.748 -9.791 1.00 1.15 N ATOM 1284 CZ ARG A 78 -14.308 0.753 -10.659 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.119 0.531 -11.205 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -15.334 -0.021 -10.981 1.00 2.37 N ATOM 0 H ARG A 78 -12.995 4.221 -5.432 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.489 5.081 -6.708 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.832 2.527 -6.732 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.413 2.628 -7.482 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.625 4.369 -9.016 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.069 4.421 -8.212 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.922 3.077 -10.260 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -12.627 2.075 -8.853 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.396 1.892 -9.392 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -12.326 1.124 -10.959 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -12.998 -0.233 -11.870 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -16.249 0.146 -10.563 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -15.208 -0.783 -11.647 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.612 3.986 -3.892 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.420 3.456 -2.799 1.00 0.43 C ATOM 1302 C ASP A 79 -16.358 1.929 -2.782 1.00 0.40 C ATOM 1303 O ASP A 79 -17.253 1.260 -2.266 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.872 3.930 -2.935 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.733 3.544 -1.747 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.167 3.107 -0.722 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.971 3.681 -1.838 1.00 2.00 O ATOM 0 H ASP A 79 -14.859 4.608 -3.597 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.018 3.828 -1.857 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -17.886 5.014 -3.050 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.303 3.507 -3.842 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.289 1.383 -3.356 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.104 -0.061 -3.404 1.00 0.32 C ATOM 1314 C LEU A 80 -14.474 -0.560 -2.109 1.00 0.31 C ATOM 1315 O LEU A 80 -14.566 -1.742 -1.774 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.244 -0.457 -4.606 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.021 -1.101 -5.753 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.486 -0.043 -6.733 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.163 -2.129 -6.460 1.00 0.39 C ATOM 0 H LEU A 80 -14.540 1.920 -3.793 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.082 -0.528 -3.516 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.735 0.431 -4.981 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.472 -1.150 -4.272 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.896 -1.603 -5.340 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.038 -0.517 -7.545 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.134 0.668 -6.220 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.621 0.481 -7.140 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.731 -2.579 -7.274 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.273 -1.645 -6.862 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.867 -2.904 -5.753 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.834 0.354 -1.387 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.198 0.026 -0.117 1.00 0.14 C ATOM 1333 C ILE A 81 -14.089 0.444 1.044 1.00 0.13 C ATOM 1334 O ILE A 81 -14.617 1.556 1.066 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.826 0.714 0.027 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.880 0.238 -1.081 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.227 0.431 1.404 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.525 0.911 -1.059 1.00 0.17 C ATOM 0 H ILE A 81 -13.742 1.332 -1.662 1.00 0.18 H new ATOM 0 HA ILE A 81 -13.048 -1.053 -0.100 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.962 1.791 -0.070 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.742 -0.839 -0.990 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.349 0.418 -2.048 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.259 0.924 1.488 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.896 0.810 2.177 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.099 -0.644 1.531 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.912 0.522 -1.872 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.651 1.987 -1.182 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.034 0.710 -0.107 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.251 -0.454 2.005 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.078 -0.182 3.169 1.00 0.13 C ATOM 1352 C ASP A 82 -14.555 1.026 3.926 1.00 0.13 C ATOM 1353 O ASP A 82 -13.356 1.133 4.186 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.095 -1.396 4.093 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.350 -1.462 4.940 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -17.456 -1.347 4.371 1.00 0.47 O ATOM 1357 OD2 ASP A 82 -16.229 -1.629 6.171 1.00 0.41 O ATOM 0 H ASP A 82 -13.819 -1.378 2.000 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.092 0.028 2.828 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -15.015 -2.304 3.496 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.222 -1.365 4.745 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.455 1.937 4.278 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.068 3.131 5.011 1.00 0.16 C ATOM 1364 C ARG A 83 -14.473 2.758 6.362 1.00 0.18 C ATOM 1365 O ARG A 83 -13.884 3.594 7.043 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.251 4.088 5.182 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.717 4.728 3.878 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.544 5.131 2.988 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.907 6.103 1.954 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.925 5.955 1.105 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.678 4.864 1.134 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -17.180 6.898 0.209 1.00 1.48 N ATOM 0 H ARG A 83 -16.451 1.870 4.068 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.306 3.650 4.429 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.084 3.545 5.628 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -15.972 4.875 5.883 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.357 4.029 3.340 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.322 5.607 4.101 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -14.753 5.551 3.610 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -15.136 4.240 2.511 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.343 6.950 1.878 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.481 4.127 1.811 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.454 4.762 0.480 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.598 7.735 0.170 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.958 6.787 -0.441 1.00 1.48 H new ATOM 1386 N SER A 84 -14.644 1.496 6.748 1.00 0.17 N ATOM 1387 CA SER A 84 -14.107 1.011 8.011 1.00 0.20 C ATOM 1388 C SER A 84 -12.582 1.030 7.975 1.00 0.19 C ATOM 1389 O SER A 84 -11.932 1.307 8.983 1.00 0.23 O ATOM 1390 CB SER A 84 -14.610 -0.405 8.298 1.00 0.22 C ATOM 1391 OG SER A 84 -14.318 -0.791 9.629 1.00 1.09 O ATOM 0 H SER A 84 -15.148 0.795 6.205 1.00 0.17 H new ATOM 0 HA SER A 84 -14.450 1.669 8.810 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.686 -0.453 8.130 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.148 -1.106 7.603 1.00 0.22 H new ATOM 0 HG SER A 84 -13.864 -0.055 10.091 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.018 0.734 6.803 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.569 0.737 6.630 1.00 0.16 C ATOM 1399 C ALA A 85 -10.012 2.112 6.940 1.00 0.19 C ATOM 1400 O ALA A 85 -8.967 2.249 7.575 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.194 0.340 5.209 1.00 0.14 C ATOM 0 H ALA A 85 -12.543 0.490 5.963 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.141 0.009 7.319 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.109 0.349 5.103 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.571 -0.661 4.999 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.633 1.047 4.506 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.731 3.127 6.473 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.337 4.521 6.686 1.00 0.25 C ATOM 1409 C TYR A 86 -9.909 4.757 8.132 1.00 0.31 C ATOM 1410 O TYR A 86 -8.689 4.766 8.394 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.488 5.468 6.332 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.762 5.587 4.851 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.017 4.463 4.083 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -11.773 6.826 4.223 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.275 4.563 2.731 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.029 6.938 2.870 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.281 5.803 2.128 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.545 5.909 0.783 1.00 0.40 O ATOM 1419 OXT TYR A 86 -10.800 4.929 8.991 1.00 1.02 O ATOM 0 H TYR A 86 -11.594 3.013 5.942 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.489 4.726 6.032 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.394 5.123 6.831 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.264 6.458 6.729 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.014 3.490 4.551 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.578 7.717 4.802 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.471 3.675 2.148 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.032 7.909 2.396 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.388 5.044 0.350 1.00 0.40 H new TER 1429 TYR A 86