USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 0.449 K(o=1.7,f=-7.3!) USER MOD Set 1.2: A 86 THR OG1 : rot -71:sc= 1.25 USER MOD Set 2.1: A 57 SER OG : rot -145:sc= 0.711 USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0.66 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 8 GLN : amide:sc= -0.0804 K(o=-0.08,f=-0.64) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 41:sc= 0.0617 USER MOD Single : A 13 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-1.4) USER MOD Single : A 17 ASN : amide:sc= -0.0523 X(o=-0.052,f=-0.52) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0.359 (180deg=0.33) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.198 K(o=0.2,f=-4.8!) USER MOD Single : A 24 ASN : amide:sc= -0.432 K(o=-0.43,f=-2.4!) USER MOD Single : A 26 TYR OH : rot 122:sc= 0.00461 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.354 (180deg=0.31) USER MOD Single : A 42 ASN : amide:sc= -0.0878 X(o=-0.088,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.662) USER MOD Single : A 51 HIS : no HD1:sc= 0.00221 K(o=0.0022,f=-1.1) USER MOD Single : A 52 SER OG : rot -41:sc= 0.412 USER MOD Single : A 55 SER OG : rot 116:sc= 0.201 USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= -0.247 (180deg=-0.395) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -140:sc= 0.0805 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -46:sc= 1.17 USER MOD Single : A 75 LYS NZ :NH3+ 140:sc= -0.0915 (180deg=-1.14) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0127 USER MOD Single : A 83 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -127:sc= 0.0624 (180deg=-1.07) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 174:sc=-8.89e-05 (180deg=-0.0739) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -3.741 -3.383 0.464 1.00 61.51 N ATOM 2 CA MET A 0 -2.880 -3.376 -0.731 1.00 71.44 C ATOM 3 C MET A 0 -1.453 -3.793 -0.377 1.00 41.02 C ATOM 4 O MET A 0 -0.872 -3.266 0.570 1.00 23.12 O ATOM 5 CB MET A 0 -2.904 -2.001 -1.414 1.00 40.03 C ATOM 6 CG MET A 0 -2.021 -1.960 -2.667 1.00 13.30 C ATOM 7 SD MET A 0 -2.159 -0.421 -3.614 1.00 21.11 S ATOM 8 CE MET A 0 -0.835 -0.683 -4.823 1.00 20.43 C ATOM 0 H1 MET A 0 -4.705 -3.097 0.199 1.00 61.51 H new ATOM 0 H2 MET A 0 -3.764 -4.340 0.870 1.00 61.51 H new ATOM 0 H3 MET A 0 -3.363 -2.717 1.168 1.00 61.51 H new ATOM 0 HA MET A 0 -3.274 -4.106 -1.438 1.00 71.44 H new ATOM 0 HB2 MET A 0 -3.929 -1.750 -1.686 1.00 40.03 H new ATOM 0 HB3 MET A 0 -2.567 -1.241 -0.709 1.00 40.03 H new ATOM 0 HG2 MET A 0 -0.981 -2.101 -2.371 1.00 13.30 H new ATOM 0 HG3 MET A 0 -2.285 -2.797 -3.313 1.00 13.30 H new ATOM 0 HE1 MET A 0 -0.778 0.176 -5.492 1.00 20.43 H new ATOM 0 HE2 MET A 0 0.115 -0.801 -4.302 1.00 20.43 H new ATOM 0 HE3 MET A 0 -1.044 -1.582 -5.403 1.00 20.43 H new ATOM 20 N ILE A 1 -0.895 -4.728 -1.155 1.00 73.23 N ATOM 21 CA ILE A 1 0.478 -5.193 -1.028 1.00 51.31 C ATOM 22 C ILE A 1 0.907 -5.792 -2.370 1.00 43.44 C ATOM 23 O ILE A 1 0.142 -6.531 -2.989 1.00 13.24 O ATOM 24 CB ILE A 1 0.618 -6.187 0.144 1.00 43.31 C ATOM 25 CG1 ILE A 1 2.105 -6.509 0.366 1.00 42.32 C ATOM 26 CG2 ILE A 1 -0.205 -7.465 -0.073 1.00 2.03 C ATOM 27 CD1 ILE A 1 2.344 -7.404 1.584 1.00 43.43 C ATOM 0 H ILE A 1 -1.405 -5.190 -1.908 1.00 73.23 H new ATOM 0 HA ILE A 1 1.143 -4.362 -0.791 1.00 51.31 H new ATOM 0 HB ILE A 1 0.215 -5.716 1.040 1.00 43.31 H new ATOM 0 HG12 ILE A 1 2.502 -6.999 -0.523 1.00 42.32 H new ATOM 0 HG13 ILE A 1 2.659 -5.578 0.491 1.00 42.32 H new ATOM 0 HG21 ILE A 1 -0.073 -8.132 0.779 1.00 2.03 H new ATOM 0 HG22 ILE A 1 -1.259 -7.206 -0.171 1.00 2.03 H new ATOM 0 HG23 ILE A 1 0.132 -7.965 -0.981 1.00 2.03 H new ATOM 0 HD11 ILE A 1 3.412 -7.597 1.690 1.00 43.43 H new ATOM 0 HD12 ILE A 1 1.975 -6.905 2.480 1.00 43.43 H new ATOM 0 HD13 ILE A 1 1.816 -8.348 1.451 1.00 43.43 H new ATOM 39 N GLN A 2 2.118 -5.449 -2.826 1.00 0.50 N ATOM 40 CA GLN A 2 2.641 -5.847 -4.126 1.00 45.15 C ATOM 41 C GLN A 2 3.508 -7.100 -3.955 1.00 72.33 C ATOM 42 O GLN A 2 4.722 -7.053 -4.147 1.00 31.40 O ATOM 43 CB GLN A 2 3.403 -4.648 -4.717 1.00 23.45 C ATOM 44 CG GLN A 2 3.781 -4.836 -6.191 1.00 60.25 C ATOM 45 CD GLN A 2 2.545 -4.925 -7.085 1.00 15.14 C ATOM 46 OE1 GLN A 2 2.149 -6.011 -7.500 1.00 3.44 O ATOM 47 NE2 GLN A 2 1.926 -3.779 -7.378 1.00 14.31 N ATOM 0 H GLN A 2 2.768 -4.877 -2.288 1.00 0.50 H new ATOM 0 HA GLN A 2 1.849 -6.113 -4.826 1.00 45.15 H new ATOM 0 HB2 GLN A 2 2.790 -3.752 -4.618 1.00 23.45 H new ATOM 0 HB3 GLN A 2 4.309 -4.480 -4.135 1.00 23.45 H new ATOM 0 HG2 GLN A 2 4.405 -4.004 -6.515 1.00 60.25 H new ATOM 0 HG3 GLN A 2 4.376 -5.743 -6.301 1.00 60.25 H new ATOM 0 HE21 GLN A 2 2.286 -2.897 -7.014 1.00 14.31 H new ATOM 0 HE22 GLN A 2 1.093 -3.785 -7.966 1.00 14.31 H new ATOM 56 N ARG A 3 2.881 -8.216 -3.555 1.00 0.04 N ATOM 57 CA ARG A 3 3.583 -9.429 -3.152 1.00 2.30 C ATOM 58 C ARG A 3 3.736 -10.392 -4.337 1.00 71.31 C ATOM 59 O ARG A 3 2.813 -10.553 -5.134 1.00 53.04 O ATOM 60 CB ARG A 3 2.856 -10.071 -1.958 1.00 60.23 C ATOM 61 CG ARG A 3 3.738 -11.069 -1.194 1.00 34.11 C ATOM 62 CD ARG A 3 4.755 -10.363 -0.282 1.00 73.24 C ATOM 63 NE ARG A 3 5.788 -11.289 0.202 1.00 41.45 N ATOM 64 CZ ARG A 3 6.830 -11.719 -0.532 1.00 74.13 C ATOM 65 NH1 ARG A 3 6.972 -11.330 -1.806 1.00 45.21 N ATOM 66 NH2 ARG A 3 7.737 -12.544 0.009 1.00 3.52 N ATOM 0 H ARG A 3 1.865 -8.296 -3.504 1.00 0.04 H new ATOM 0 HA ARG A 3 4.593 -9.177 -2.830 1.00 2.30 H new ATOM 0 HB2 ARG A 3 2.525 -9.288 -1.276 1.00 60.23 H new ATOM 0 HB3 ARG A 3 1.961 -10.582 -2.314 1.00 60.23 H new ATOM 0 HG2 ARG A 3 3.107 -11.724 -0.593 1.00 34.11 H new ATOM 0 HG3 ARG A 3 4.268 -11.702 -1.906 1.00 34.11 H new ATOM 0 HD2 ARG A 3 5.226 -9.545 -0.827 1.00 73.24 H new ATOM 0 HD3 ARG A 3 4.236 -9.921 0.568 1.00 73.24 H new ATOM 0 HE ARG A 3 5.710 -11.629 1.160 1.00 41.45 H new ATOM 0 HH11 ARG A 3 6.287 -10.703 -2.227 1.00 45.21 H new ATOM 0 HH12 ARG A 3 7.765 -11.661 -2.355 1.00 45.21 H new ATOM 0 HH21 ARG A 3 7.637 -12.846 0.978 1.00 3.52 H new ATOM 0 HH22 ARG A 3 8.527 -12.870 -0.548 1.00 3.52 H new ATOM 80 N THR A 4 4.918 -11.015 -4.439 1.00 23.44 N ATOM 81 CA THR A 4 5.340 -11.919 -5.505 1.00 52.23 C ATOM 82 C THR A 4 5.047 -13.381 -5.131 1.00 44.21 C ATOM 83 O THR A 4 4.924 -13.693 -3.946 1.00 51.02 O ATOM 84 CB THR A 4 6.851 -11.727 -5.732 1.00 42.02 C ATOM 85 OG1 THR A 4 7.562 -11.969 -4.536 1.00 52.33 O ATOM 86 CG2 THR A 4 7.180 -10.317 -6.232 1.00 31.31 C ATOM 0 H THR A 4 5.645 -10.890 -3.735 1.00 23.44 H new ATOM 0 HA THR A 4 4.787 -11.690 -6.416 1.00 52.23 H new ATOM 0 HB THR A 4 7.152 -12.442 -6.497 1.00 42.02 H new ATOM 0 HG1 THR A 4 8.521 -11.845 -4.695 1.00 52.33 H new ATOM 0 HG21 THR A 4 8.256 -10.225 -6.379 1.00 31.31 H new ATOM 0 HG22 THR A 4 6.668 -10.138 -7.177 1.00 31.31 H new ATOM 0 HG23 THR A 4 6.850 -9.584 -5.496 1.00 31.31 H new ATOM 94 N PRO A 5 4.949 -14.293 -6.118 1.00 32.10 N ATOM 95 CA PRO A 5 4.679 -15.706 -5.883 1.00 11.50 C ATOM 96 C PRO A 5 5.921 -16.453 -5.388 1.00 13.44 C ATOM 97 O PRO A 5 7.013 -16.273 -5.927 1.00 5.14 O ATOM 98 CB PRO A 5 4.217 -16.264 -7.233 1.00 12.01 C ATOM 99 CG PRO A 5 4.937 -15.372 -8.241 1.00 73.51 C ATOM 100 CD PRO A 5 4.940 -14.010 -7.547 1.00 51.41 C ATOM 0 HA PRO A 5 3.927 -15.833 -5.104 1.00 11.50 H new ATOM 0 HB2 PRO A 5 4.494 -17.312 -7.352 1.00 12.01 H new ATOM 0 HB3 PRO A 5 3.134 -16.205 -7.344 1.00 12.01 H new ATOM 0 HG2 PRO A 5 5.948 -15.725 -8.443 1.00 73.51 H new ATOM 0 HG3 PRO A 5 4.414 -15.338 -9.197 1.00 73.51 H new ATOM 0 HD2 PRO A 5 5.814 -13.426 -7.836 1.00 51.41 H new ATOM 0 HD3 PRO A 5 4.062 -13.428 -7.825 1.00 51.41 H new ATOM 108 N LYS A 6 5.733 -17.322 -4.386 1.00 0.14 N ATOM 109 CA LYS A 6 6.739 -18.259 -3.914 1.00 41.02 C ATOM 110 C LYS A 6 6.653 -19.530 -4.764 1.00 74.24 C ATOM 111 O LYS A 6 5.702 -20.298 -4.626 1.00 23.32 O ATOM 112 CB LYS A 6 6.497 -18.572 -2.431 1.00 71.45 C ATOM 113 CG LYS A 6 7.612 -19.472 -1.882 1.00 54.11 C ATOM 114 CD LYS A 6 7.321 -19.921 -0.448 1.00 42.14 C ATOM 115 CE LYS A 6 8.496 -20.762 0.061 1.00 33.14 C ATOM 116 NZ LYS A 6 8.222 -21.342 1.386 1.00 21.22 N ATOM 0 H LYS A 6 4.853 -17.388 -3.874 1.00 0.14 H new ATOM 0 HA LYS A 6 7.737 -17.830 -4.009 1.00 41.02 H new ATOM 0 HB2 LYS A 6 6.456 -17.645 -1.860 1.00 71.45 H new ATOM 0 HB3 LYS A 6 5.532 -19.064 -2.310 1.00 71.45 H new ATOM 0 HG2 LYS A 6 7.722 -20.347 -2.522 1.00 54.11 H new ATOM 0 HG3 LYS A 6 8.560 -18.935 -1.910 1.00 54.11 H new ATOM 0 HD2 LYS A 6 7.173 -19.053 0.195 1.00 42.14 H new ATOM 0 HD3 LYS A 6 6.400 -20.503 -0.416 1.00 42.14 H new ATOM 0 HE2 LYS A 6 8.705 -21.562 -0.649 1.00 33.14 H new ATOM 0 HE3 LYS A 6 9.391 -20.141 0.114 1.00 33.14 H new ATOM 0 HZ1 LYS A 6 9.041 -21.904 1.695 1.00 21.22 H new ATOM 0 HZ2 LYS A 6 8.048 -20.578 2.070 1.00 21.22 H new ATOM 0 HZ3 LYS A 6 7.383 -21.955 1.330 1.00 21.22 H new ATOM 130 N ILE A 7 7.650 -19.754 -5.626 1.00 22.24 N ATOM 131 CA ILE A 7 7.717 -20.930 -6.484 1.00 44.23 C ATOM 132 C ILE A 7 8.019 -22.189 -5.665 1.00 73.44 C ATOM 133 O ILE A 7 8.908 -22.183 -4.814 1.00 73.35 O ATOM 134 CB ILE A 7 8.739 -20.726 -7.623 1.00 21.22 C ATOM 135 CG1 ILE A 7 10.147 -20.356 -7.110 1.00 1.02 C ATOM 136 CG2 ILE A 7 8.191 -19.673 -8.596 1.00 12.33 C ATOM 137 CD1 ILE A 7 11.208 -20.349 -8.213 1.00 22.42 C ATOM 0 H ILE A 7 8.437 -19.116 -5.745 1.00 22.24 H new ATOM 0 HA ILE A 7 6.740 -21.071 -6.947 1.00 44.23 H new ATOM 0 HB ILE A 7 8.867 -21.675 -8.144 1.00 21.22 H new ATOM 0 HG12 ILE A 7 10.110 -19.371 -6.644 1.00 1.02 H new ATOM 0 HG13 ILE A 7 10.442 -21.064 -6.335 1.00 1.02 H new ATOM 0 HG21 ILE A 7 8.904 -19.520 -9.406 1.00 12.33 H new ATOM 0 HG22 ILE A 7 7.242 -20.017 -9.008 1.00 12.33 H new ATOM 0 HG23 ILE A 7 8.036 -18.733 -8.066 1.00 12.33 H new ATOM 0 HD11 ILE A 7 12.175 -20.081 -7.786 1.00 22.42 H new ATOM 0 HD12 ILE A 7 11.272 -21.340 -8.663 1.00 22.42 H new ATOM 0 HD13 ILE A 7 10.934 -19.621 -8.977 1.00 22.42 H new ATOM 149 N GLN A 8 7.275 -23.269 -5.936 1.00 2.55 N ATOM 150 CA GLN A 8 7.508 -24.601 -5.395 1.00 74.11 C ATOM 151 C GLN A 8 7.025 -25.622 -6.429 1.00 31.11 C ATOM 152 O GLN A 8 5.934 -26.170 -6.289 1.00 14.34 O ATOM 153 CB GLN A 8 6.776 -24.795 -4.057 1.00 13.30 C ATOM 154 CG GLN A 8 7.363 -23.984 -2.895 1.00 2.03 C ATOM 155 CD GLN A 8 6.803 -24.433 -1.544 1.00 71.42 C ATOM 156 OE1 GLN A 8 5.746 -25.055 -1.471 1.00 75.12 O ATOM 157 NE2 GLN A 8 7.521 -24.126 -0.461 1.00 31.14 N ATOM 0 H GLN A 8 6.469 -23.231 -6.560 1.00 2.55 H new ATOM 0 HA GLN A 8 8.571 -24.737 -5.198 1.00 74.11 H new ATOM 0 HB2 GLN A 8 5.729 -24.519 -4.185 1.00 13.30 H new ATOM 0 HB3 GLN A 8 6.797 -25.853 -3.794 1.00 13.30 H new ATOM 0 HG2 GLN A 8 8.448 -24.089 -2.891 1.00 2.03 H new ATOM 0 HG3 GLN A 8 7.146 -22.926 -3.044 1.00 2.03 H new ATOM 0 HE21 GLN A 8 8.394 -23.608 -0.558 1.00 31.14 H new ATOM 0 HE22 GLN A 8 7.196 -24.409 0.463 1.00 31.14 H new ATOM 166 N VAL A 9 7.839 -25.870 -7.464 1.00 4.11 N ATOM 167 CA VAL A 9 7.561 -26.863 -8.494 1.00 73.24 C ATOM 168 C VAL A 9 8.134 -28.205 -8.044 1.00 52.01 C ATOM 169 O VAL A 9 9.263 -28.551 -8.384 1.00 35.20 O ATOM 170 CB VAL A 9 8.169 -26.438 -9.838 1.00 75.51 C ATOM 171 CG1 VAL A 9 7.812 -27.428 -10.956 1.00 0.01 C ATOM 172 CG2 VAL A 9 7.689 -25.053 -10.273 1.00 0.53 C ATOM 0 H VAL A 9 8.720 -25.376 -7.605 1.00 4.11 H new ATOM 0 HA VAL A 9 6.484 -26.952 -8.635 1.00 73.24 H new ATOM 0 HB VAL A 9 9.247 -26.420 -9.681 1.00 75.51 H new ATOM 0 HG11 VAL A 9 8.259 -27.096 -11.893 1.00 0.01 H new ATOM 0 HG12 VAL A 9 8.194 -28.417 -10.702 1.00 0.01 H new ATOM 0 HG13 VAL A 9 6.729 -27.476 -11.068 1.00 0.01 H new ATOM 0 HG21 VAL A 9 8.145 -24.794 -11.229 1.00 0.53 H new ATOM 0 HG22 VAL A 9 6.604 -25.060 -10.378 1.00 0.53 H new ATOM 0 HG23 VAL A 9 7.976 -24.316 -9.523 1.00 0.53 H new ATOM 182 N TYR A 10 7.344 -28.949 -7.270 1.00 14.02 N ATOM 183 CA TYR A 10 7.683 -30.295 -6.827 1.00 14.44 C ATOM 184 C TYR A 10 6.884 -31.316 -7.629 1.00 0.13 C ATOM 185 O TYR A 10 5.789 -31.020 -8.102 1.00 60.24 O ATOM 186 CB TYR A 10 7.419 -30.463 -5.326 1.00 33.15 C ATOM 187 CG TYR A 10 5.972 -30.333 -4.889 1.00 74.15 C ATOM 188 CD1 TYR A 10 5.459 -29.079 -4.512 1.00 13.55 C ATOM 189 CD2 TYR A 10 5.162 -31.479 -4.777 1.00 11.03 C ATOM 190 CE1 TYR A 10 4.141 -28.970 -4.041 1.00 72.53 C ATOM 191 CE2 TYR A 10 3.835 -31.367 -4.329 1.00 3.24 C ATOM 192 CZ TYR A 10 3.326 -30.113 -3.951 1.00 3.01 C ATOM 193 OH TYR A 10 2.046 -30.006 -3.493 1.00 4.11 O ATOM 0 H TYR A 10 6.438 -28.626 -6.930 1.00 14.02 H new ATOM 0 HA TYR A 10 8.747 -30.460 -6.997 1.00 14.44 H new ATOM 0 HB2 TYR A 10 7.784 -31.443 -5.020 1.00 33.15 H new ATOM 0 HB3 TYR A 10 8.009 -29.721 -4.788 1.00 33.15 H new ATOM 0 HD1 TYR A 10 6.080 -28.198 -4.585 1.00 13.55 H new ATOM 0 HD2 TYR A 10 5.562 -32.448 -5.036 1.00 11.03 H new ATOM 0 HE1 TYR A 10 3.752 -28.006 -3.747 1.00 72.53 H new ATOM 0 HE2 TYR A 10 3.207 -32.244 -4.275 1.00 3.24 H new ATOM 0 HH TYR A 10 1.623 -30.890 -3.496 1.00 4.11 H new ATOM 203 N SER A 11 7.417 -32.533 -7.736 1.00 20.12 N ATOM 204 CA SER A 11 6.677 -33.693 -8.202 1.00 21.55 C ATOM 205 C SER A 11 6.062 -34.403 -6.997 1.00 74.53 C ATOM 206 O SER A 11 6.776 -34.766 -6.062 1.00 5.42 O ATOM 207 CB SER A 11 7.603 -34.633 -8.972 1.00 21.21 C ATOM 208 OG SER A 11 8.856 -34.754 -8.332 1.00 41.54 O ATOM 0 H SER A 11 8.387 -32.738 -7.497 1.00 20.12 H new ATOM 0 HA SER A 11 5.881 -33.379 -8.878 1.00 21.55 H new ATOM 0 HB2 SER A 11 7.139 -35.616 -9.057 1.00 21.21 H new ATOM 0 HB3 SER A 11 7.744 -34.258 -9.986 1.00 21.21 H new ATOM 0 HG SER A 11 8.724 -34.806 -7.362 1.00 41.54 H new ATOM 214 N ARG A 12 4.741 -34.610 -7.025 1.00 5.01 N ATOM 215 CA ARG A 12 4.025 -35.354 -5.995 1.00 1.32 C ATOM 216 C ARG A 12 4.503 -36.809 -5.954 1.00 21.33 C ATOM 217 O ARG A 12 4.710 -37.360 -4.874 1.00 43.02 O ATOM 218 CB ARG A 12 2.517 -35.265 -6.267 1.00 20.13 C ATOM 219 CG ARG A 12 1.648 -36.063 -5.288 1.00 42.35 C ATOM 220 CD ARG A 12 1.673 -35.458 -3.881 1.00 64.54 C ATOM 221 NE ARG A 12 0.799 -36.206 -2.971 1.00 11.14 N ATOM 222 CZ ARG A 12 1.078 -37.413 -2.449 1.00 1.54 C ATOM 223 NH1 ARG A 12 2.243 -38.029 -2.702 1.00 52.33 N ATOM 224 NH2 ARG A 12 0.172 -38.011 -1.662 1.00 31.41 N ATOM 0 H ARG A 12 4.138 -34.261 -7.771 1.00 5.01 H new ATOM 0 HA ARG A 12 4.230 -34.918 -5.017 1.00 1.32 H new ATOM 0 HB2 ARG A 12 2.215 -34.218 -6.232 1.00 20.13 H new ATOM 0 HB3 ARG A 12 2.321 -35.619 -7.279 1.00 20.13 H new ATOM 0 HG2 ARG A 12 0.621 -36.091 -5.653 1.00 42.35 H new ATOM 0 HG3 ARG A 12 2.000 -37.094 -5.247 1.00 42.35 H new ATOM 0 HD2 ARG A 12 2.693 -35.463 -3.497 1.00 64.54 H new ATOM 0 HD3 ARG A 12 1.354 -34.417 -3.923 1.00 64.54 H new ATOM 0 HE ARG A 12 -0.090 -35.777 -2.714 1.00 11.14 H new ATOM 0 HH11 ARG A 12 2.937 -37.581 -3.301 1.00 52.33 H new ATOM 0 HH12 ARG A 12 2.434 -38.945 -2.296 1.00 52.33 H new ATOM 0 HH21 ARG A 12 -0.716 -37.550 -1.466 1.00 31.41 H new ATOM 0 HH22 ARG A 12 0.371 -38.927 -1.260 1.00 31.41 H new ATOM 238 N HIS A 13 4.658 -37.424 -7.134 1.00 52.33 N ATOM 239 CA HIS A 13 5.089 -38.806 -7.301 1.00 65.24 C ATOM 240 C HIS A 13 6.620 -38.849 -7.421 1.00 33.41 C ATOM 241 O HIS A 13 7.227 -37.848 -7.799 1.00 34.22 O ATOM 242 CB HIS A 13 4.442 -39.373 -8.577 1.00 43.45 C ATOM 243 CG HIS A 13 2.932 -39.463 -8.574 1.00 0.42 C ATOM 244 ND1 HIS A 13 2.126 -38.834 -7.636 1.00 34.32 N ATOM 245 CD2 HIS A 13 2.054 -40.100 -9.421 1.00 4.10 C ATOM 246 CE1 HIS A 13 0.849 -39.092 -7.958 1.00 32.42 C ATOM 247 NE2 HIS A 13 0.737 -39.874 -9.033 1.00 75.52 N ATOM 0 H HIS A 13 4.480 -36.954 -8.021 1.00 52.33 H new ATOM 0 HA HIS A 13 4.785 -39.404 -6.442 1.00 65.24 H new ATOM 0 HB2 HIS A 13 4.747 -38.754 -9.421 1.00 43.45 H new ATOM 0 HB3 HIS A 13 4.845 -40.371 -8.752 1.00 43.45 H new ATOM 0 HD2 HIS A 13 2.348 -40.696 -10.273 1.00 4.10 H new ATOM 0 HE1 HIS A 13 0.003 -38.708 -7.407 1.00 32.42 H new ATOM 0 HE2 HIS A 13 -0.116 -40.225 -9.469 1.00 75.52 H new ATOM 255 N PRO A 14 7.261 -39.996 -7.135 1.00 61.24 N ATOM 256 CA PRO A 14 8.677 -40.213 -7.405 1.00 2.33 C ATOM 257 C PRO A 14 8.889 -40.416 -8.915 1.00 63.23 C ATOM 258 O PRO A 14 8.004 -40.927 -9.602 1.00 54.44 O ATOM 259 CB PRO A 14 9.045 -41.448 -6.580 1.00 13.51 C ATOM 260 CG PRO A 14 7.750 -42.257 -6.575 1.00 22.23 C ATOM 261 CD PRO A 14 6.669 -41.177 -6.524 1.00 33.14 C ATOM 0 HA PRO A 14 9.310 -39.369 -7.130 1.00 2.33 H new ATOM 0 HB2 PRO A 14 9.867 -42.004 -7.031 1.00 13.51 H new ATOM 0 HB3 PRO A 14 9.358 -41.180 -5.571 1.00 13.51 H new ATOM 0 HG2 PRO A 14 7.659 -42.878 -7.466 1.00 22.23 H new ATOM 0 HG3 PRO A 14 7.694 -42.924 -5.715 1.00 22.23 H new ATOM 0 HD2 PRO A 14 5.776 -41.491 -7.065 1.00 33.14 H new ATOM 0 HD3 PRO A 14 6.365 -40.976 -5.497 1.00 33.14 H new ATOM 269 N ALA A 15 10.037 -39.960 -9.438 1.00 72.21 N ATOM 270 CA ALA A 15 10.269 -39.799 -10.871 1.00 62.23 C ATOM 271 C ALA A 15 11.038 -40.980 -11.477 1.00 53.04 C ATOM 272 O ALA A 15 12.254 -40.906 -11.648 1.00 53.01 O ATOM 273 CB ALA A 15 11.000 -38.473 -11.111 1.00 33.51 C ATOM 0 H ALA A 15 10.837 -39.691 -8.866 1.00 72.21 H new ATOM 0 HA ALA A 15 9.304 -39.781 -11.377 1.00 62.23 H new ATOM 0 HB1 ALA A 15 11.178 -38.344 -12.179 1.00 33.51 H new ATOM 0 HB2 ALA A 15 10.389 -37.649 -10.742 1.00 33.51 H new ATOM 0 HB3 ALA A 15 11.953 -38.482 -10.583 1.00 33.51 H new ATOM 279 N GLU A 16 10.318 -42.050 -11.843 1.00 22.31 N ATOM 280 CA GLU A 16 10.871 -43.205 -12.549 1.00 2.34 C ATOM 281 C GLU A 16 10.763 -43.008 -14.066 1.00 20.44 C ATOM 282 O GLU A 16 9.950 -42.218 -14.543 1.00 21.11 O ATOM 283 CB GLU A 16 10.128 -44.488 -12.149 1.00 40.51 C ATOM 284 CG GLU A 16 10.427 -44.951 -10.717 1.00 60.32 C ATOM 285 CD GLU A 16 9.831 -44.024 -9.664 1.00 54.54 C ATOM 286 OE1 GLU A 16 10.632 -43.358 -8.975 1.00 43.11 O ATOM 287 OE2 GLU A 16 8.585 -44.000 -9.570 1.00 60.52 O ATOM 0 H GLU A 16 9.320 -42.134 -11.652 1.00 22.31 H new ATOM 0 HA GLU A 16 11.921 -43.298 -12.272 1.00 2.34 H new ATOM 0 HB2 GLU A 16 9.055 -44.324 -12.252 1.00 40.51 H new ATOM 0 HB3 GLU A 16 10.397 -45.285 -12.843 1.00 40.51 H new ATOM 0 HG2 GLU A 16 10.033 -45.957 -10.575 1.00 60.32 H new ATOM 0 HG3 GLU A 16 11.506 -45.009 -10.576 1.00 60.32 H new ATOM 294 N ASN A 17 11.577 -43.761 -14.817 1.00 34.25 N ATOM 295 CA ASN A 17 11.584 -43.768 -16.274 1.00 3.25 C ATOM 296 C ASN A 17 10.386 -44.579 -16.785 1.00 53.13 C ATOM 297 O ASN A 17 10.312 -45.786 -16.561 1.00 60.33 O ATOM 298 CB ASN A 17 12.926 -44.337 -16.762 1.00 20.44 C ATOM 299 CG ASN A 17 13.122 -44.196 -18.272 1.00 23.12 C ATOM 300 OD1 ASN A 17 12.448 -44.865 -19.053 1.00 72.25 O ATOM 301 ND2 ASN A 17 14.065 -43.343 -18.687 1.00 63.33 N ATOM 0 H ASN A 17 12.264 -44.396 -14.411 1.00 34.25 H new ATOM 0 HA ASN A 17 11.485 -42.757 -16.669 1.00 3.25 H new ATOM 0 HB2 ASN A 17 13.740 -43.827 -16.247 1.00 20.44 H new ATOM 0 HB3 ASN A 17 12.988 -45.391 -16.490 1.00 20.44 H new ATOM 0 HD21 ASN A 17 14.247 -43.229 -19.684 1.00 63.33 H new ATOM 0 HD22 ASN A 17 14.602 -42.806 -18.006 1.00 63.33 H new ATOM 308 N GLY A 18 9.450 -43.905 -17.463 1.00 45.54 N ATOM 309 CA GLY A 18 8.269 -44.502 -18.067 1.00 53.02 C ATOM 310 C GLY A 18 7.199 -44.845 -17.031 1.00 34.10 C ATOM 311 O GLY A 18 6.785 -46.000 -16.935 1.00 51.24 O ATOM 0 H GLY A 18 9.502 -42.897 -17.607 1.00 45.54 H new ATOM 0 HA2 GLY A 18 7.852 -43.814 -18.802 1.00 53.02 H new ATOM 0 HA3 GLY A 18 8.556 -45.407 -18.603 1.00 53.02 H new ATOM 315 N LYS A 19 6.727 -43.836 -16.287 1.00 12.11 N ATOM 316 CA LYS A 19 5.585 -43.951 -15.387 1.00 2.50 C ATOM 317 C LYS A 19 5.079 -42.546 -15.065 1.00 1.01 C ATOM 318 O LYS A 19 5.878 -41.677 -14.722 1.00 4.24 O ATOM 319 CB LYS A 19 5.974 -44.689 -14.099 1.00 63.21 C ATOM 320 CG LYS A 19 4.752 -44.862 -13.185 1.00 13.21 C ATOM 321 CD LYS A 19 5.046 -45.724 -11.952 1.00 12.52 C ATOM 322 CE LYS A 19 6.130 -45.097 -11.071 1.00 23.10 C ATOM 323 NZ LYS A 19 6.304 -45.831 -9.808 1.00 2.41 N ATOM 0 H LYS A 19 7.139 -42.903 -16.298 1.00 12.11 H new ATOM 0 HA LYS A 19 4.798 -44.529 -15.871 1.00 2.50 H new ATOM 0 HB2 LYS A 19 6.392 -45.665 -14.345 1.00 63.21 H new ATOM 0 HB3 LYS A 19 6.751 -44.132 -13.575 1.00 63.21 H new ATOM 0 HG2 LYS A 19 4.405 -43.881 -12.862 1.00 13.21 H new ATOM 0 HG3 LYS A 19 3.940 -45.316 -13.754 1.00 13.21 H new ATOM 0 HD2 LYS A 19 4.133 -45.852 -11.371 1.00 12.52 H new ATOM 0 HD3 LYS A 19 5.364 -46.717 -12.269 1.00 12.52 H new ATOM 0 HE2 LYS A 19 7.075 -45.081 -11.614 1.00 23.10 H new ATOM 0 HE3 LYS A 19 5.868 -44.061 -10.856 1.00 23.10 H new ATOM 0 HZ1 LYS A 19 7.124 -45.449 -9.294 1.00 2.41 H new ATOM 0 HZ2 LYS A 19 5.450 -45.725 -9.224 1.00 2.41 H new ATOM 0 HZ3 LYS A 19 6.462 -46.839 -10.011 1.00 2.41 H new ATOM 337 N SER A 20 3.759 -42.337 -15.163 1.00 22.11 N ATOM 338 CA SER A 20 3.125 -41.034 -15.002 1.00 54.43 C ATOM 339 C SER A 20 3.477 -40.388 -13.659 1.00 73.44 C ATOM 340 O SER A 20 3.628 -41.074 -12.648 1.00 63.32 O ATOM 341 CB SER A 20 1.608 -41.150 -15.184 1.00 14.13 C ATOM 342 OG SER A 20 1.050 -42.018 -14.220 1.00 1.23 O ATOM 0 H SER A 20 3.096 -43.086 -15.360 1.00 22.11 H new ATOM 0 HA SER A 20 3.515 -40.377 -15.779 1.00 54.43 H new ATOM 0 HB2 SER A 20 1.151 -40.164 -15.099 1.00 14.13 H new ATOM 0 HB3 SER A 20 1.385 -41.520 -16.185 1.00 14.13 H new ATOM 0 HG SER A 20 0.081 -42.076 -14.354 1.00 1.23 H new ATOM 348 N ASN A 21 3.635 -39.060 -13.679 1.00 43.35 N ATOM 349 CA ASN A 21 4.111 -38.260 -12.565 1.00 32.50 C ATOM 350 C ASN A 21 3.421 -36.895 -12.624 1.00 53.51 C ATOM 351 O ASN A 21 3.286 -36.315 -13.699 1.00 64.33 O ATOM 352 CB ASN A 21 5.638 -38.138 -12.664 1.00 33.24 C ATOM 353 CG ASN A 21 6.246 -37.416 -11.462 1.00 23.33 C ATOM 354 OD1 ASN A 21 5.977 -36.238 -11.241 1.00 12.42 O ATOM 355 ND2 ASN A 21 7.071 -38.116 -10.679 1.00 43.11 N ATOM 0 H ASN A 21 3.425 -38.500 -14.506 1.00 43.35 H new ATOM 0 HA ASN A 21 3.873 -38.722 -11.607 1.00 32.50 H new ATOM 0 HB2 ASN A 21 6.074 -39.134 -12.745 1.00 33.24 H new ATOM 0 HB3 ASN A 21 5.898 -37.601 -13.576 1.00 33.24 H new ATOM 0 HD21 ASN A 21 7.501 -37.674 -9.866 1.00 43.11 H new ATOM 0 HD22 ASN A 21 7.271 -39.093 -10.893 1.00 43.11 H new ATOM 362 N PHE A 22 2.962 -36.401 -11.470 1.00 31.33 N ATOM 363 CA PHE A 22 2.179 -35.181 -11.360 1.00 21.40 C ATOM 364 C PHE A 22 3.095 -34.031 -10.934 1.00 53.21 C ATOM 365 O PHE A 22 3.595 -34.042 -9.810 1.00 51.41 O ATOM 366 CB PHE A 22 1.059 -35.392 -10.326 1.00 75.25 C ATOM 367 CG PHE A 22 -0.127 -36.240 -10.770 1.00 11.21 C ATOM 368 CD1 PHE A 22 0.048 -37.560 -11.231 1.00 11.12 C ATOM 369 CD2 PHE A 22 -1.434 -35.733 -10.625 1.00 64.43 C ATOM 370 CE1 PHE A 22 -1.063 -38.339 -11.597 1.00 73.24 C ATOM 371 CE2 PHE A 22 -2.545 -36.504 -11.008 1.00 34.54 C ATOM 372 CZ PHE A 22 -2.359 -37.804 -11.506 1.00 73.45 C ATOM 0 H PHE A 22 3.132 -36.853 -10.571 1.00 31.33 H new ATOM 0 HA PHE A 22 1.729 -34.934 -12.322 1.00 21.40 H new ATOM 0 HB2 PHE A 22 1.495 -35.853 -9.440 1.00 75.25 H new ATOM 0 HB3 PHE A 22 0.685 -34.414 -10.024 1.00 75.25 H new ATOM 0 HD1 PHE A 22 1.042 -37.976 -11.304 1.00 11.12 H new ATOM 0 HD2 PHE A 22 -1.583 -34.744 -10.216 1.00 64.43 H new ATOM 0 HE1 PHE A 22 -0.920 -39.350 -11.949 1.00 73.24 H new ATOM 0 HE2 PHE A 22 -3.541 -36.097 -10.919 1.00 34.54 H new ATOM 0 HZ PHE A 22 -3.210 -38.391 -11.818 1.00 73.45 H new ATOM 382 N LEU A 23 3.285 -33.027 -11.805 1.00 51.24 N ATOM 383 CA LEU A 23 3.946 -31.773 -11.441 1.00 54.05 C ATOM 384 C LEU A 23 2.988 -31.000 -10.536 1.00 2.11 C ATOM 385 O LEU A 23 1.780 -31.166 -10.674 1.00 51.31 O ATOM 386 CB LEU A 23 4.271 -30.937 -12.695 1.00 3.32 C ATOM 387 CG LEU A 23 5.471 -29.992 -12.523 1.00 63.41 C ATOM 388 CD1 LEU A 23 6.802 -30.753 -12.574 1.00 1.11 C ATOM 389 CD2 LEU A 23 5.468 -28.946 -13.644 1.00 32.43 C ATOM 0 H LEU A 23 2.984 -33.066 -12.779 1.00 51.24 H new ATOM 0 HA LEU A 23 4.887 -31.980 -10.932 1.00 54.05 H new ATOM 0 HB2 LEU A 23 4.470 -31.612 -13.528 1.00 3.32 H new ATOM 0 HB3 LEU A 23 3.394 -30.348 -12.964 1.00 3.32 H new ATOM 0 HG LEU A 23 5.376 -29.515 -11.548 1.00 63.41 H new ATOM 0 HD11 LEU A 23 7.627 -30.052 -12.449 1.00 1.11 H new ATOM 0 HD12 LEU A 23 6.829 -31.492 -11.773 1.00 1.11 H new ATOM 0 HD13 LEU A 23 6.897 -31.257 -13.536 1.00 1.11 H new ATOM 0 HD21 LEU A 23 6.320 -28.277 -13.520 1.00 32.43 H new ATOM 0 HD22 LEU A 23 5.538 -29.447 -14.609 1.00 32.43 H new ATOM 0 HD23 LEU A 23 4.544 -28.369 -13.601 1.00 32.43 H new ATOM 401 N ASN A 24 3.503 -30.187 -9.607 1.00 2.13 N ATOM 402 CA ASN A 24 2.692 -29.439 -8.657 1.00 63.32 C ATOM 403 C ASN A 24 3.336 -28.076 -8.424 1.00 1.32 C ATOM 404 O ASN A 24 4.220 -27.953 -7.578 1.00 51.31 O ATOM 405 CB ASN A 24 2.578 -30.220 -7.342 1.00 32.50 C ATOM 406 CG ASN A 24 1.534 -31.334 -7.408 1.00 34.34 C ATOM 407 OD1 ASN A 24 0.424 -31.180 -6.904 1.00 22.34 O ATOM 408 ND2 ASN A 24 1.882 -32.466 -8.020 1.00 42.02 N ATOM 0 H ASN A 24 4.505 -30.033 -9.498 1.00 2.13 H new ATOM 0 HA ASN A 24 1.687 -29.295 -9.054 1.00 63.32 H new ATOM 0 HB2 ASN A 24 3.548 -30.651 -7.094 1.00 32.50 H new ATOM 0 HB3 ASN A 24 2.320 -29.532 -6.537 1.00 32.50 H new ATOM 0 HD21 ASN A 24 1.218 -33.238 -8.081 1.00 42.02 H new ATOM 0 HD22 ASN A 24 2.812 -32.560 -8.428 1.00 42.02 H new ATOM 415 N CYS A 25 2.875 -27.058 -9.165 1.00 11.53 N ATOM 416 CA CYS A 25 3.348 -25.685 -9.046 1.00 12.22 C ATOM 417 C CYS A 25 2.557 -24.976 -7.937 1.00 12.21 C ATOM 418 O CYS A 25 1.575 -24.287 -8.213 1.00 21.32 O ATOM 419 CB CYS A 25 3.217 -24.962 -10.398 1.00 13.00 C ATOM 420 SG CYS A 25 3.834 -25.838 -11.861 1.00 73.43 S ATOM 0 H CYS A 25 2.151 -27.175 -9.874 1.00 11.53 H new ATOM 0 HA CYS A 25 4.404 -25.673 -8.774 1.00 12.22 H new ATOM 0 HB2 CYS A 25 2.164 -24.733 -10.559 1.00 13.00 H new ATOM 0 HB3 CYS A 25 3.743 -24.010 -10.326 1.00 13.00 H new ATOM 425 N TYR A 26 2.980 -25.153 -6.676 1.00 33.54 N ATOM 426 CA TYR A 26 2.323 -24.557 -5.518 1.00 14.13 C ATOM 427 C TYR A 26 2.782 -23.106 -5.359 1.00 2.21 C ATOM 428 O TYR A 26 3.829 -22.838 -4.771 1.00 73.52 O ATOM 429 CB TYR A 26 2.602 -25.401 -4.268 1.00 42.53 C ATOM 430 CG TYR A 26 1.954 -24.898 -2.989 1.00 25.13 C ATOM 431 CD1 TYR A 26 2.676 -24.083 -2.096 1.00 41.14 C ATOM 432 CD2 TYR A 26 0.660 -25.327 -2.639 1.00 12.43 C ATOM 433 CE1 TYR A 26 2.113 -23.709 -0.864 1.00 13.33 C ATOM 434 CE2 TYR A 26 0.123 -25.005 -1.382 1.00 4.24 C ATOM 435 CZ TYR A 26 0.828 -24.159 -0.511 1.00 73.13 C ATOM 436 OH TYR A 26 0.264 -23.777 0.672 1.00 22.42 O ATOM 0 H TYR A 26 3.794 -25.719 -6.437 1.00 33.54 H new ATOM 0 HA TYR A 26 1.243 -24.545 -5.663 1.00 14.13 H new ATOM 0 HB2 TYR A 26 2.260 -26.419 -4.453 1.00 42.53 H new ATOM 0 HB3 TYR A 26 3.680 -25.449 -4.115 1.00 42.53 H new ATOM 0 HD1 TYR A 26 3.667 -23.744 -2.359 1.00 41.14 H new ATOM 0 HD2 TYR A 26 0.078 -25.906 -3.340 1.00 12.43 H new ATOM 0 HE1 TYR A 26 2.667 -23.075 -0.188 1.00 13.33 H new ATOM 0 HE2 TYR A 26 -0.834 -25.409 -1.085 1.00 4.24 H new ATOM 0 HH TYR A 26 -0.589 -23.328 0.498 1.00 22.42 H new ATOM 446 N VAL A 27 1.994 -22.175 -5.906 1.00 25.20 N ATOM 447 CA VAL A 27 2.290 -20.749 -5.902 1.00 64.22 C ATOM 448 C VAL A 27 1.569 -20.052 -4.747 1.00 40.42 C ATOM 449 O VAL A 27 0.473 -19.533 -4.922 1.00 73.23 O ATOM 450 CB VAL A 27 1.941 -20.120 -7.265 1.00 60.15 C ATOM 451 CG1 VAL A 27 3.023 -20.457 -8.301 1.00 74.54 C ATOM 452 CG2 VAL A 27 0.572 -20.553 -7.812 1.00 45.21 C ATOM 0 H VAL A 27 1.116 -22.402 -6.372 1.00 25.20 H new ATOM 0 HA VAL A 27 3.360 -20.612 -5.745 1.00 64.22 H new ATOM 0 HB VAL A 27 1.894 -19.045 -7.092 1.00 60.15 H new ATOM 0 HG11 VAL A 27 2.763 -20.006 -9.259 1.00 74.54 H new ATOM 0 HG12 VAL A 27 3.983 -20.066 -7.965 1.00 74.54 H new ATOM 0 HG13 VAL A 27 3.092 -21.539 -8.416 1.00 74.54 H new ATOM 0 HG21 VAL A 27 0.395 -20.071 -8.773 1.00 45.21 H new ATOM 0 HG22 VAL A 27 0.557 -21.635 -7.941 1.00 45.21 H new ATOM 0 HG23 VAL A 27 -0.209 -20.261 -7.110 1.00 45.21 H new ATOM 462 N SER A 28 2.193 -20.000 -3.566 1.00 12.24 N ATOM 463 CA SER A 28 1.687 -19.211 -2.447 1.00 40.04 C ATOM 464 C SER A 28 2.212 -17.775 -2.536 1.00 31.31 C ATOM 465 O SER A 28 2.970 -17.445 -3.444 1.00 32.33 O ATOM 466 CB SER A 28 2.094 -19.887 -1.131 1.00 74.22 C ATOM 467 OG SER A 28 3.498 -19.977 -1.013 1.00 32.10 O ATOM 0 H SER A 28 3.058 -20.502 -3.363 1.00 12.24 H new ATOM 0 HA SER A 28 0.599 -19.161 -2.485 1.00 40.04 H new ATOM 0 HB2 SER A 28 1.692 -19.322 -0.290 1.00 74.22 H new ATOM 0 HB3 SER A 28 1.658 -20.885 -1.082 1.00 74.22 H new ATOM 0 HG SER A 28 3.728 -20.410 -0.165 1.00 32.10 H new ATOM 473 N GLY A 29 1.832 -16.923 -1.576 1.00 43.14 N ATOM 474 CA GLY A 29 2.457 -15.623 -1.377 1.00 53.55 C ATOM 475 C GLY A 29 1.752 -14.486 -2.119 1.00 21.42 C ATOM 476 O GLY A 29 1.442 -13.465 -1.508 1.00 72.31 O ATOM 0 H GLY A 29 1.080 -17.123 -0.917 1.00 43.14 H new ATOM 0 HA2 GLY A 29 2.473 -15.396 -0.311 1.00 53.55 H new ATOM 0 HA3 GLY A 29 3.495 -15.673 -1.707 1.00 53.55 H new ATOM 480 N PHE A 30 1.553 -14.625 -3.436 1.00 64.41 N ATOM 481 CA PHE A 30 1.259 -13.485 -4.296 1.00 24.44 C ATOM 482 C PHE A 30 -0.118 -12.866 -4.057 1.00 33.12 C ATOM 483 O PHE A 30 -1.105 -13.577 -3.872 1.00 22.20 O ATOM 484 CB PHE A 30 1.399 -13.868 -5.773 1.00 15.13 C ATOM 485 CG PHE A 30 0.308 -14.777 -6.301 1.00 60.25 C ATOM 486 CD1 PHE A 30 0.391 -16.171 -6.123 1.00 42.14 C ATOM 487 CD2 PHE A 30 -0.836 -14.216 -6.899 1.00 52.32 C ATOM 488 CE1 PHE A 30 -0.684 -16.988 -6.511 1.00 14.14 C ATOM 489 CE2 PHE A 30 -1.906 -15.038 -7.281 1.00 41.42 C ATOM 490 CZ PHE A 30 -1.849 -16.417 -7.036 1.00 4.03 C ATOM 0 H PHE A 30 1.592 -15.520 -3.924 1.00 64.41 H new ATOM 0 HA PHE A 30 1.995 -12.726 -4.032 1.00 24.44 H new ATOM 0 HB2 PHE A 30 1.413 -12.956 -6.370 1.00 15.13 H new ATOM 0 HB3 PHE A 30 2.362 -14.358 -5.917 1.00 15.13 H new ATOM 0 HD1 PHE A 30 1.277 -16.611 -5.690 1.00 42.14 H new ATOM 0 HD2 PHE A 30 -0.890 -13.150 -7.064 1.00 52.32 H new ATOM 0 HE1 PHE A 30 -0.611 -18.060 -6.404 1.00 14.14 H new ATOM 0 HE2 PHE A 30 -2.772 -14.609 -7.763 1.00 41.42 H new ATOM 0 HZ PHE A 30 -2.705 -17.039 -7.253 1.00 4.03 H new ATOM 500 N HIS A 31 -0.167 -11.531 -4.131 1.00 42.14 N ATOM 501 CA HIS A 31 -1.380 -10.741 -4.304 1.00 2.43 C ATOM 502 C HIS A 31 -1.388 -10.170 -5.730 1.00 64.43 C ATOM 503 O HIS A 31 -0.316 -9.830 -6.230 1.00 62.23 O ATOM 504 CB HIS A 31 -1.383 -9.576 -3.306 1.00 43.21 C ATOM 505 CG HIS A 31 -1.704 -9.981 -1.892 1.00 24.23 C ATOM 506 ND1 HIS A 31 -2.877 -9.596 -1.264 1.00 31.14 N ATOM 507 CD2 HIS A 31 -1.012 -10.707 -0.953 1.00 35.44 C ATOM 508 CE1 HIS A 31 -2.834 -10.074 -0.009 1.00 73.42 C ATOM 509 NE2 HIS A 31 -1.717 -10.758 0.246 1.00 54.02 N ATOM 0 H HIS A 31 0.672 -10.954 -4.069 1.00 42.14 H new ATOM 0 HA HIS A 31 -2.256 -11.367 -4.135 1.00 2.43 H new ATOM 0 HB2 HIS A 31 -0.405 -9.095 -3.322 1.00 43.21 H new ATOM 0 HB3 HIS A 31 -2.109 -8.832 -3.634 1.00 43.21 H new ATOM 0 HD2 HIS A 31 -0.053 -11.174 -1.122 1.00 35.44 H new ATOM 0 HE1 HIS A 31 -3.620 -9.921 0.716 1.00 73.42 H new ATOM 0 HE2 HIS A 31 -1.443 -11.213 1.117 1.00 54.02 H new ATOM 517 N PRO A 32 -2.548 -9.992 -6.388 1.00 3.54 N ATOM 518 CA PRO A 32 -3.882 -10.350 -5.939 1.00 3.13 C ATOM 519 C PRO A 32 -4.164 -11.785 -6.408 1.00 51.01 C ATOM 520 O PRO A 32 -3.519 -12.707 -5.915 1.00 53.41 O ATOM 521 CB PRO A 32 -4.775 -9.273 -6.561 1.00 3.21 C ATOM 522 CG PRO A 32 -4.103 -8.975 -7.903 1.00 45.24 C ATOM 523 CD PRO A 32 -2.622 -9.275 -7.653 1.00 20.41 C ATOM 0 HA PRO A 32 -4.042 -10.366 -4.861 1.00 3.13 H new ATOM 0 HB2 PRO A 32 -5.797 -9.628 -6.695 1.00 3.21 H new ATOM 0 HB3 PRO A 32 -4.827 -8.384 -5.933 1.00 3.21 H new ATOM 0 HG2 PRO A 32 -4.508 -9.600 -8.699 1.00 45.24 H new ATOM 0 HG3 PRO A 32 -4.255 -7.938 -8.203 1.00 45.24 H new ATOM 0 HD2 PRO A 32 -2.207 -9.875 -8.463 1.00 20.41 H new ATOM 0 HD3 PRO A 32 -2.042 -8.353 -7.610 1.00 20.41 H new ATOM 531 N SER A 33 -5.082 -11.983 -7.365 1.00 20.23 N ATOM 532 CA SER A 33 -5.377 -13.272 -7.984 1.00 0.32 C ATOM 533 C SER A 33 -4.877 -13.355 -9.435 1.00 41.12 C ATOM 534 O SER A 33 -5.113 -14.365 -10.096 1.00 5.33 O ATOM 535 CB SER A 33 -6.890 -13.503 -7.930 1.00 43.43 C ATOM 536 OG SER A 33 -7.561 -12.490 -8.650 1.00 11.03 O ATOM 0 H SER A 33 -5.654 -11.225 -7.737 1.00 20.23 H new ATOM 0 HA SER A 33 -4.850 -14.048 -7.429 1.00 0.32 H new ATOM 0 HB2 SER A 33 -7.132 -14.479 -8.350 1.00 43.43 H new ATOM 0 HB3 SER A 33 -7.228 -13.509 -6.894 1.00 43.43 H new ATOM 0 HG SER A 33 -8.528 -12.647 -8.611 1.00 11.03 H new ATOM 542 N ASP A 34 -4.220 -12.301 -9.944 1.00 11.15 N ATOM 543 CA ASP A 34 -3.968 -12.105 -11.368 1.00 42.14 C ATOM 544 C ASP A 34 -2.651 -12.763 -11.798 1.00 61.23 C ATOM 545 O ASP A 34 -1.748 -12.091 -12.292 1.00 52.12 O ATOM 546 CB ASP A 34 -4.006 -10.594 -11.656 1.00 34.10 C ATOM 547 CG ASP A 34 -3.895 -10.262 -13.143 1.00 4.20 C ATOM 548 OD1 ASP A 34 -2.903 -9.592 -13.505 1.00 62.33 O ATOM 549 OD2 ASP A 34 -4.808 -10.678 -13.890 1.00 0.04 O ATOM 0 H ASP A 34 -3.845 -11.552 -9.362 1.00 11.15 H new ATOM 0 HA ASP A 34 -4.740 -12.594 -11.962 1.00 42.14 H new ATOM 0 HB2 ASP A 34 -4.936 -10.180 -11.266 1.00 34.10 H new ATOM 0 HB3 ASP A 34 -3.191 -10.108 -11.120 1.00 34.10 H new ATOM 554 N ILE A 35 -2.551 -14.087 -11.609 1.00 42.02 N ATOM 555 CA ILE A 35 -1.381 -14.879 -11.978 1.00 54.24 C ATOM 556 C ILE A 35 -1.658 -15.677 -13.259 1.00 34.40 C ATOM 557 O ILE A 35 -2.813 -15.960 -13.573 1.00 53.04 O ATOM 558 CB ILE A 35 -0.944 -15.766 -10.794 1.00 33.55 C ATOM 559 CG1 ILE A 35 0.506 -16.234 -11.002 1.00 31.34 C ATOM 560 CG2 ILE A 35 -1.918 -16.931 -10.551 1.00 71.41 C ATOM 561 CD1 ILE A 35 1.158 -16.783 -9.734 1.00 72.43 C ATOM 0 H ILE A 35 -3.296 -14.642 -11.188 1.00 42.02 H new ATOM 0 HA ILE A 35 -0.544 -14.217 -12.200 1.00 54.24 H new ATOM 0 HB ILE A 35 -0.976 -15.170 -9.882 1.00 33.55 H new ATOM 0 HG12 ILE A 35 0.523 -17.005 -11.773 1.00 31.34 H new ATOM 0 HG13 ILE A 35 1.099 -15.398 -11.373 1.00 31.34 H new ATOM 0 HG21 ILE A 35 -1.569 -17.527 -9.708 1.00 71.41 H new ATOM 0 HG22 ILE A 35 -2.910 -16.536 -10.330 1.00 71.41 H new ATOM 0 HG23 ILE A 35 -1.967 -17.556 -11.442 1.00 71.41 H new ATOM 0 HD11 ILE A 35 2.179 -17.094 -9.955 1.00 72.43 H new ATOM 0 HD12 ILE A 35 1.173 -16.008 -8.968 1.00 72.43 H new ATOM 0 HD13 ILE A 35 0.588 -17.639 -9.373 1.00 72.43 H new ATOM 573 N GLU A 36 -0.597 -16.037 -13.992 1.00 63.54 N ATOM 574 CA GLU A 36 -0.658 -16.784 -15.243 1.00 0.02 C ATOM 575 C GLU A 36 0.309 -17.971 -15.166 1.00 42.54 C ATOM 576 O GLU A 36 1.415 -17.918 -15.707 1.00 2.30 O ATOM 577 CB GLU A 36 -0.284 -15.856 -16.402 1.00 11.44 C ATOM 578 CG GLU A 36 -1.219 -14.652 -16.566 1.00 24.40 C ATOM 579 CD GLU A 36 -0.724 -13.739 -17.685 1.00 60.12 C ATOM 580 OE1 GLU A 36 -1.341 -13.774 -18.771 1.00 53.15 O ATOM 581 OE2 GLU A 36 0.274 -13.026 -17.435 1.00 11.21 O ATOM 0 H GLU A 36 0.357 -15.806 -13.716 1.00 63.54 H new ATOM 0 HA GLU A 36 -1.667 -17.162 -15.409 1.00 0.02 H new ATOM 0 HB2 GLU A 36 0.733 -15.495 -16.250 1.00 11.44 H new ATOM 0 HB3 GLU A 36 -0.283 -16.431 -17.328 1.00 11.44 H new ATOM 0 HG2 GLU A 36 -2.229 -14.996 -16.789 1.00 24.40 H new ATOM 0 HG3 GLU A 36 -1.272 -14.095 -15.631 1.00 24.40 H new ATOM 588 N VAL A 37 -0.116 -19.035 -14.476 1.00 62.41 N ATOM 589 CA VAL A 37 0.686 -20.233 -14.247 1.00 52.54 C ATOM 590 C VAL A 37 0.369 -21.297 -15.298 1.00 33.52 C ATOM 591 O VAL A 37 -0.436 -22.198 -15.062 1.00 42.32 O ATOM 592 CB VAL A 37 0.468 -20.795 -12.836 1.00 34.31 C ATOM 593 CG1 VAL A 37 1.467 -21.921 -12.526 1.00 53.33 C ATOM 594 CG2 VAL A 37 0.610 -19.719 -11.763 1.00 3.14 C ATOM 0 H VAL A 37 -1.044 -19.085 -14.055 1.00 62.41 H new ATOM 0 HA VAL A 37 1.735 -19.951 -14.335 1.00 52.54 H new ATOM 0 HB VAL A 37 -0.550 -21.184 -12.819 1.00 34.31 H new ATOM 0 HG11 VAL A 37 1.288 -22.299 -11.520 1.00 53.33 H new ATOM 0 HG12 VAL A 37 1.339 -22.729 -13.246 1.00 53.33 H new ATOM 0 HG13 VAL A 37 2.484 -21.534 -12.593 1.00 53.33 H new ATOM 0 HG21 VAL A 37 0.448 -20.162 -10.780 1.00 3.14 H new ATOM 0 HG22 VAL A 37 1.611 -19.291 -11.807 1.00 3.14 H new ATOM 0 HG23 VAL A 37 -0.128 -18.935 -11.934 1.00 3.14 H new ATOM 604 N ASP A 38 1.053 -21.219 -16.440 1.00 33.40 N ATOM 605 CA ASP A 38 1.073 -22.287 -17.432 1.00 44.32 C ATOM 606 C ASP A 38 2.207 -23.258 -17.075 1.00 31.15 C ATOM 607 O ASP A 38 2.833 -23.131 -16.022 1.00 20.21 O ATOM 608 CB ASP A 38 1.243 -21.696 -18.842 1.00 44.14 C ATOM 609 CG ASP A 38 0.224 -20.595 -19.128 1.00 13.22 C ATOM 610 OD1 ASP A 38 0.579 -19.421 -18.888 1.00 11.20 O ATOM 611 OD2 ASP A 38 -0.885 -20.948 -19.583 1.00 32.10 O ATOM 0 H ASP A 38 1.611 -20.406 -16.702 1.00 33.40 H new ATOM 0 HA ASP A 38 0.130 -22.834 -17.428 1.00 44.32 H new ATOM 0 HB2 ASP A 38 2.251 -21.294 -18.947 1.00 44.14 H new ATOM 0 HB3 ASP A 38 1.137 -22.489 -19.582 1.00 44.14 H new ATOM 616 N LEU A 39 2.494 -24.216 -17.961 1.00 72.35 N ATOM 617 CA LEU A 39 3.628 -25.117 -17.836 1.00 43.15 C ATOM 618 C LEU A 39 3.839 -25.861 -19.146 1.00 2.55 C ATOM 619 O LEU A 39 2.896 -26.039 -19.918 1.00 20.14 O ATOM 620 CB LEU A 39 3.472 -26.110 -16.677 1.00 62.23 C ATOM 621 CG LEU A 39 2.255 -27.039 -16.791 1.00 74.13 C ATOM 622 CD1 LEU A 39 2.488 -28.234 -15.863 1.00 0.03 C ATOM 623 CD2 LEU A 39 0.944 -26.365 -16.365 1.00 22.32 C ATOM 0 H LEU A 39 1.932 -24.385 -18.796 1.00 72.35 H new ATOM 0 HA LEU A 39 4.504 -24.508 -17.610 1.00 43.15 H new ATOM 0 HB2 LEU A 39 4.373 -26.720 -16.614 1.00 62.23 H new ATOM 0 HB3 LEU A 39 3.400 -25.551 -15.744 1.00 62.23 H new ATOM 0 HG LEU A 39 2.156 -27.327 -17.838 1.00 74.13 H new ATOM 0 HD11 LEU A 39 1.637 -28.913 -15.923 1.00 0.03 H new ATOM 0 HD12 LEU A 39 3.394 -28.759 -16.167 1.00 0.03 H new ATOM 0 HD13 LEU A 39 2.599 -27.882 -14.837 1.00 0.03 H new ATOM 0 HD21 LEU A 39 0.121 -27.072 -16.468 1.00 22.32 H new ATOM 0 HD22 LEU A 39 1.020 -26.046 -15.326 1.00 22.32 H new ATOM 0 HD23 LEU A 39 0.758 -25.498 -16.998 1.00 22.32 H new ATOM 635 N LEU A 40 5.087 -26.282 -19.376 1.00 53.53 N ATOM 636 CA LEU A 40 5.541 -26.849 -20.636 1.00 34.12 C ATOM 637 C LEU A 40 6.306 -28.152 -20.409 1.00 12.02 C ATOM 638 O LEU A 40 6.965 -28.325 -19.383 1.00 20.25 O ATOM 639 CB LEU A 40 6.435 -25.839 -21.372 1.00 13.33 C ATOM 640 CG LEU A 40 5.781 -24.469 -21.632 1.00 55.15 C ATOM 641 CD1 LEU A 40 6.786 -23.553 -22.338 1.00 1.11 C ATOM 642 CD2 LEU A 40 4.523 -24.584 -22.501 1.00 20.45 C ATOM 0 H LEU A 40 5.822 -26.234 -18.670 1.00 53.53 H new ATOM 0 HA LEU A 40 4.665 -27.070 -21.246 1.00 34.12 H new ATOM 0 HB2 LEU A 40 7.344 -25.688 -20.790 1.00 13.33 H new ATOM 0 HB3 LEU A 40 6.736 -26.270 -22.327 1.00 13.33 H new ATOM 0 HG LEU A 40 5.489 -24.057 -20.666 1.00 55.15 H new ATOM 0 HD11 LEU A 40 6.326 -22.582 -22.523 1.00 1.11 H new ATOM 0 HD12 LEU A 40 7.665 -23.423 -21.707 1.00 1.11 H new ATOM 0 HD13 LEU A 40 7.083 -24.001 -23.286 1.00 1.11 H new ATOM 0 HD21 LEU A 40 4.097 -23.593 -22.657 1.00 20.45 H new ATOM 0 HD22 LEU A 40 4.785 -25.022 -23.464 1.00 20.45 H new ATOM 0 HD23 LEU A 40 3.792 -25.219 -22.000 1.00 20.45 H new ATOM 654 N LYS A 41 6.235 -29.040 -21.409 1.00 21.42 N ATOM 655 CA LYS A 41 7.068 -30.226 -21.534 1.00 51.31 C ATOM 656 C LYS A 41 7.498 -30.328 -22.995 1.00 4.11 C ATOM 657 O LYS A 41 6.651 -30.452 -23.876 1.00 22.10 O ATOM 658 CB LYS A 41 6.323 -31.475 -21.038 1.00 24.51 C ATOM 659 CG LYS A 41 5.062 -31.841 -21.833 1.00 42.12 C ATOM 660 CD LYS A 41 4.314 -32.996 -21.157 1.00 62.54 C ATOM 661 CE LYS A 41 3.108 -33.461 -21.980 1.00 20.44 C ATOM 662 NZ LYS A 41 3.517 -34.085 -23.251 1.00 44.43 N ATOM 0 H LYS A 41 5.570 -28.942 -22.176 1.00 21.42 H new ATOM 0 HA LYS A 41 7.956 -30.152 -20.906 1.00 51.31 H new ATOM 0 HB2 LYS A 41 7.009 -32.322 -21.064 1.00 24.51 H new ATOM 0 HB3 LYS A 41 6.045 -31.323 -19.995 1.00 24.51 H new ATOM 0 HG2 LYS A 41 4.408 -30.972 -21.909 1.00 42.12 H new ATOM 0 HG3 LYS A 41 5.336 -32.123 -22.850 1.00 42.12 H new ATOM 0 HD2 LYS A 41 4.997 -33.833 -21.010 1.00 62.54 H new ATOM 0 HD3 LYS A 41 3.978 -32.681 -20.169 1.00 62.54 H new ATOM 0 HE2 LYS A 41 2.524 -34.173 -21.397 1.00 20.44 H new ATOM 0 HE3 LYS A 41 2.459 -32.610 -22.186 1.00 20.44 H new ATOM 0 HZ1 LYS A 41 2.686 -34.506 -23.714 1.00 44.43 H new ATOM 0 HZ2 LYS A 41 3.932 -33.363 -23.874 1.00 44.43 H new ATOM 0 HZ3 LYS A 41 4.221 -34.827 -23.063 1.00 44.43 H new ATOM 676 N ASN A 42 8.804 -30.207 -23.265 1.00 54.43 N ATOM 677 CA ASN A 42 9.341 -30.164 -24.624 1.00 55.11 C ATOM 678 C ASN A 42 8.663 -29.068 -25.463 1.00 23.34 C ATOM 679 O ASN A 42 8.450 -29.245 -26.661 1.00 14.44 O ATOM 680 CB ASN A 42 9.241 -31.554 -25.279 1.00 31.30 C ATOM 681 CG ASN A 42 9.879 -32.646 -24.418 1.00 52.34 C ATOM 682 OD1 ASN A 42 9.204 -33.262 -23.594 1.00 62.44 O ATOM 683 ND2 ASN A 42 11.176 -32.894 -24.614 1.00 54.32 N ATOM 0 H ASN A 42 9.518 -30.136 -22.541 1.00 54.43 H new ATOM 0 HA ASN A 42 10.397 -29.899 -24.574 1.00 55.11 H new ATOM 0 HB2 ASN A 42 8.193 -31.797 -25.453 1.00 31.30 H new ATOM 0 HB3 ASN A 42 9.729 -31.531 -26.253 1.00 31.30 H new ATOM 0 HD21 ASN A 42 11.645 -33.618 -24.070 1.00 54.32 H new ATOM 0 HD22 ASN A 42 11.698 -32.359 -25.308 1.00 54.32 H new ATOM 690 N GLY A 43 8.305 -27.941 -24.826 1.00 1.41 N ATOM 691 CA GLY A 43 7.645 -26.813 -25.470 1.00 73.15 C ATOM 692 C GLY A 43 6.128 -26.984 -25.634 1.00 0.14 C ATOM 693 O GLY A 43 5.454 -26.010 -25.964 1.00 14.33 O ATOM 0 H GLY A 43 8.473 -27.794 -23.831 1.00 1.41 H new ATOM 0 HA2 GLY A 43 7.837 -25.912 -24.887 1.00 73.15 H new ATOM 0 HA3 GLY A 43 8.091 -26.658 -26.453 1.00 73.15 H new ATOM 697 N GLU A 44 5.581 -28.191 -25.416 1.00 15.23 N ATOM 698 CA GLU A 44 4.160 -28.466 -25.584 1.00 41.03 C ATOM 699 C GLU A 44 3.355 -27.718 -24.519 1.00 71.14 C ATOM 700 O GLU A 44 3.579 -27.928 -23.328 1.00 12.43 O ATOM 701 CB GLU A 44 3.883 -29.972 -25.456 1.00 13.10 C ATOM 702 CG GLU A 44 4.650 -30.834 -26.464 1.00 62.42 C ATOM 703 CD GLU A 44 4.389 -32.315 -26.197 1.00 75.24 C ATOM 704 OE1 GLU A 44 5.185 -32.906 -25.434 1.00 44.34 O ATOM 705 OE2 GLU A 44 3.384 -32.826 -26.737 1.00 31.14 O ATOM 0 H GLU A 44 6.122 -29.002 -25.117 1.00 15.23 H new ATOM 0 HA GLU A 44 3.861 -28.130 -26.577 1.00 41.03 H new ATOM 0 HB2 GLU A 44 4.141 -30.294 -24.447 1.00 13.10 H new ATOM 0 HB3 GLU A 44 2.815 -30.147 -25.583 1.00 13.10 H new ATOM 0 HG2 GLU A 44 4.343 -30.580 -27.479 1.00 62.42 H new ATOM 0 HG3 GLU A 44 5.718 -30.627 -26.393 1.00 62.42 H new ATOM 712 N ARG A 45 2.400 -26.880 -24.947 1.00 12.32 N ATOM 713 CA ARG A 45 1.423 -26.271 -24.054 1.00 53.41 C ATOM 714 C ARG A 45 0.490 -27.370 -23.549 1.00 14.31 C ATOM 715 O ARG A 45 -0.248 -27.956 -24.339 1.00 13.41 O ATOM 716 CB ARG A 45 0.646 -25.167 -24.788 1.00 13.13 C ATOM 717 CG ARG A 45 -0.371 -24.491 -23.853 1.00 42.41 C ATOM 718 CD ARG A 45 -1.167 -23.388 -24.558 1.00 4.10 C ATOM 719 NE ARG A 45 -2.037 -23.930 -25.613 1.00 55.04 N ATOM 720 CZ ARG A 45 -2.991 -23.232 -26.254 1.00 45.15 C ATOM 721 NH1 ARG A 45 -3.272 -21.967 -25.907 1.00 13.04 N ATOM 722 NH2 ARG A 45 -3.671 -23.804 -27.257 1.00 13.15 N ATOM 0 H ARG A 45 2.289 -26.610 -25.924 1.00 12.32 H new ATOM 0 HA ARG A 45 1.921 -25.803 -23.205 1.00 53.41 H new ATOM 0 HB2 ARG A 45 1.342 -24.422 -25.173 1.00 13.13 H new ATOM 0 HB3 ARG A 45 0.128 -25.592 -25.647 1.00 13.13 H new ATOM 0 HG2 ARG A 45 -1.060 -25.242 -23.466 1.00 42.41 H new ATOM 0 HG3 ARG A 45 0.153 -24.067 -22.996 1.00 42.41 H new ATOM 0 HD2 ARG A 45 -1.773 -22.853 -23.827 1.00 4.10 H new ATOM 0 HD3 ARG A 45 -0.478 -22.663 -24.992 1.00 4.10 H new ATOM 0 HE ARG A 45 -1.907 -24.906 -25.878 1.00 55.04 H new ATOM 0 HH11 ARG A 45 -2.759 -21.521 -25.147 1.00 13.04 H new ATOM 0 HH12 ARG A 45 -3.999 -21.451 -26.403 1.00 13.04 H new ATOM 0 HH21 ARG A 45 -3.464 -24.764 -27.531 1.00 13.15 H new ATOM 0 HH22 ARG A 45 -4.396 -23.279 -27.746 1.00 13.15 H new ATOM 736 N ILE A 46 0.535 -27.655 -22.242 1.00 1.30 N ATOM 737 CA ILE A 46 -0.285 -28.692 -21.637 1.00 32.34 C ATOM 738 C ILE A 46 -1.668 -28.102 -21.374 1.00 64.33 C ATOM 739 O ILE A 46 -1.830 -27.300 -20.458 1.00 71.52 O ATOM 740 CB ILE A 46 0.364 -29.246 -20.353 1.00 51.21 C ATOM 741 CG1 ILE A 46 1.847 -29.586 -20.591 1.00 13.15 C ATOM 742 CG2 ILE A 46 -0.430 -30.484 -19.907 1.00 72.33 C ATOM 743 CD1 ILE A 46 2.517 -30.268 -19.395 1.00 60.13 C ATOM 0 H ILE A 46 1.142 -27.170 -21.582 1.00 1.30 H new ATOM 0 HA ILE A 46 -0.376 -29.542 -22.313 1.00 32.34 H new ATOM 0 HB ILE A 46 0.335 -28.493 -19.566 1.00 51.21 H new ATOM 0 HG12 ILE A 46 1.927 -30.237 -21.462 1.00 13.15 H new ATOM 0 HG13 ILE A 46 2.388 -28.670 -20.827 1.00 13.15 H new ATOM 0 HG21 ILE A 46 0.013 -30.893 -18.999 1.00 72.33 H new ATOM 0 HG22 ILE A 46 -1.464 -30.202 -19.711 1.00 72.33 H new ATOM 0 HG23 ILE A 46 -0.402 -31.237 -20.695 1.00 72.33 H new ATOM 0 HD11 ILE A 46 3.560 -30.478 -19.633 1.00 60.13 H new ATOM 0 HD12 ILE A 46 2.469 -29.610 -18.527 1.00 60.13 H new ATOM 0 HD13 ILE A 46 2.000 -31.202 -19.172 1.00 60.13 H new ATOM 755 N GLU A 47 -2.654 -28.492 -22.190 1.00 0.40 N ATOM 756 CA GLU A 47 -4.018 -27.984 -22.117 1.00 51.42 C ATOM 757 C GLU A 47 -4.862 -28.930 -21.253 1.00 54.24 C ATOM 758 O GLU A 47 -5.941 -29.359 -21.656 1.00 51.24 O ATOM 759 CB GLU A 47 -4.578 -27.820 -23.540 1.00 45.43 C ATOM 760 CG GLU A 47 -3.817 -26.742 -24.330 1.00 20.31 C ATOM 761 CD GLU A 47 -4.283 -26.651 -25.781 1.00 20.22 C ATOM 762 OE1 GLU A 47 -3.410 -26.773 -26.669 1.00 14.25 O ATOM 763 OE2 GLU A 47 -5.497 -26.432 -25.978 1.00 60.34 O ATOM 0 H GLU A 47 -2.519 -29.181 -22.930 1.00 0.40 H new ATOM 0 HA GLU A 47 -4.043 -27.002 -21.645 1.00 51.42 H new ATOM 0 HB2 GLU A 47 -4.514 -28.771 -24.068 1.00 45.43 H new ATOM 0 HB3 GLU A 47 -5.634 -27.555 -23.487 1.00 45.43 H new ATOM 0 HG2 GLU A 47 -3.953 -25.775 -23.845 1.00 20.31 H new ATOM 0 HG3 GLU A 47 -2.750 -26.963 -24.306 1.00 20.31 H new ATOM 770 N LYS A 48 -4.355 -29.253 -20.055 1.00 51.42 N ATOM 771 CA LYS A 48 -5.040 -30.069 -19.064 1.00 0.21 C ATOM 772 C LYS A 48 -4.453 -29.736 -17.689 1.00 12.44 C ATOM 773 O LYS A 48 -3.947 -30.613 -16.989 1.00 3.23 O ATOM 774 CB LYS A 48 -4.920 -31.564 -19.410 1.00 11.14 C ATOM 775 CG LYS A 48 -5.996 -32.364 -18.658 1.00 12.22 C ATOM 776 CD LYS A 48 -5.653 -33.847 -18.472 1.00 42.42 C ATOM 777 CE LYS A 48 -4.599 -34.053 -17.376 1.00 40.51 C ATOM 778 NZ LYS A 48 -4.415 -35.482 -17.071 1.00 23.33 N ATOM 0 H LYS A 48 -3.433 -28.942 -19.748 1.00 51.42 H new ATOM 0 HA LYS A 48 -6.107 -29.848 -19.055 1.00 0.21 H new ATOM 0 HB2 LYS A 48 -5.033 -31.707 -20.485 1.00 11.14 H new ATOM 0 HB3 LYS A 48 -3.929 -31.930 -19.142 1.00 11.14 H new ATOM 0 HG2 LYS A 48 -6.152 -31.912 -17.679 1.00 12.22 H new ATOM 0 HG3 LYS A 48 -6.938 -32.285 -19.200 1.00 12.22 H new ATOM 0 HD2 LYS A 48 -6.557 -34.400 -18.216 1.00 42.42 H new ATOM 0 HD3 LYS A 48 -5.284 -34.256 -19.413 1.00 42.42 H new ATOM 0 HE2 LYS A 48 -3.650 -33.622 -17.696 1.00 40.51 H new ATOM 0 HE3 LYS A 48 -4.902 -33.523 -16.473 1.00 40.51 H new ATOM 0 HZ1 LYS A 48 -4.024 -35.585 -16.113 1.00 23.33 H new ATOM 0 HZ2 LYS A 48 -5.332 -35.969 -17.125 1.00 23.33 H new ATOM 0 HZ3 LYS A 48 -3.759 -35.902 -17.760 1.00 23.33 H new ATOM 792 N VAL A 49 -4.502 -28.449 -17.326 1.00 5.43 N ATOM 793 CA VAL A 49 -3.975 -27.938 -16.071 1.00 60.33 C ATOM 794 C VAL A 49 -5.132 -27.847 -15.079 1.00 22.22 C ATOM 795 O VAL A 49 -6.106 -27.142 -15.344 1.00 14.41 O ATOM 796 CB VAL A 49 -3.320 -26.558 -16.277 1.00 62.41 C ATOM 797 CG1 VAL A 49 -2.435 -26.224 -15.071 1.00 20.23 C ATOM 798 CG2 VAL A 49 -2.485 -26.486 -17.562 1.00 60.22 C ATOM 0 H VAL A 49 -4.918 -27.726 -17.913 1.00 5.43 H new ATOM 0 HA VAL A 49 -3.205 -28.606 -15.686 1.00 60.33 H new ATOM 0 HB VAL A 49 -4.125 -25.829 -16.373 1.00 62.41 H new ATOM 0 HG11 VAL A 49 -1.973 -25.248 -15.218 1.00 20.23 H new ATOM 0 HG12 VAL A 49 -3.044 -26.204 -14.167 1.00 20.23 H new ATOM 0 HG13 VAL A 49 -1.658 -26.982 -14.969 1.00 20.23 H new ATOM 0 HG21 VAL A 49 -2.047 -25.492 -17.656 1.00 60.22 H new ATOM 0 HG22 VAL A 49 -1.690 -27.230 -17.521 1.00 60.22 H new ATOM 0 HG23 VAL A 49 -3.124 -26.684 -18.423 1.00 60.22 H new ATOM 808 N GLU A 50 -5.024 -28.539 -13.939 1.00 13.32 N ATOM 809 CA GLU A 50 -5.997 -28.427 -12.859 1.00 22.41 C ATOM 810 C GLU A 50 -5.565 -27.285 -11.930 1.00 1.31 C ATOM 811 O GLU A 50 -4.589 -26.591 -12.204 1.00 32.42 O ATOM 812 CB GLU A 50 -6.137 -29.763 -12.108 1.00 42.05 C ATOM 813 CG GLU A 50 -6.783 -30.884 -12.935 1.00 51.23 C ATOM 814 CD GLU A 50 -5.876 -31.439 -14.030 1.00 32.30 C ATOM 815 OE1 GLU A 50 -6.161 -31.132 -15.207 1.00 40.14 O ATOM 816 OE2 GLU A 50 -4.928 -32.174 -13.677 1.00 65.42 O ATOM 0 H GLU A 50 -4.262 -29.188 -13.745 1.00 13.32 H new ATOM 0 HA GLU A 50 -6.982 -28.197 -13.264 1.00 22.41 H new ATOM 0 HB2 GLU A 50 -5.149 -30.090 -11.783 1.00 42.05 H new ATOM 0 HB3 GLU A 50 -6.731 -29.601 -11.209 1.00 42.05 H new ATOM 0 HG2 GLU A 50 -7.071 -31.696 -12.268 1.00 51.23 H new ATOM 0 HG3 GLU A 50 -7.698 -30.506 -13.390 1.00 51.23 H new ATOM 823 N HIS A 51 -6.306 -27.077 -10.839 1.00 15.13 N ATOM 824 CA HIS A 51 -6.041 -26.053 -9.838 1.00 64.11 C ATOM 825 C HIS A 51 -6.729 -26.467 -8.536 1.00 31.44 C ATOM 826 O HIS A 51 -7.640 -27.295 -8.566 1.00 35.10 O ATOM 827 CB HIS A 51 -6.544 -24.692 -10.336 1.00 33.31 C ATOM 828 CG HIS A 51 -8.014 -24.682 -10.667 1.00 52.43 C ATOM 829 ND1 HIS A 51 -8.979 -24.253 -9.770 1.00 42.21 N ATOM 830 CD2 HIS A 51 -8.709 -25.077 -11.786 1.00 14.04 C ATOM 831 CE1 HIS A 51 -10.174 -24.416 -10.362 1.00 20.13 C ATOM 832 NE2 HIS A 51 -10.078 -24.913 -11.597 1.00 64.15 N ATOM 0 H HIS A 51 -7.132 -27.637 -10.626 1.00 15.13 H new ATOM 0 HA HIS A 51 -4.970 -25.956 -9.659 1.00 64.11 H new ATOM 0 HB2 HIS A 51 -6.346 -23.939 -9.574 1.00 33.31 H new ATOM 0 HB3 HIS A 51 -5.978 -24.406 -11.222 1.00 33.31 H new ATOM 0 HD2 HIS A 51 -8.255 -25.462 -12.687 1.00 14.04 H new ATOM 0 HE1 HIS A 51 -11.113 -24.171 -9.889 1.00 20.13 H new ATOM 0 HE2 HIS A 51 -10.832 -25.124 -12.250 1.00 64.15 H new ATOM 840 N SER A 52 -6.309 -25.889 -7.400 1.00 63.21 N ATOM 841 CA SER A 52 -6.955 -26.104 -6.105 1.00 14.01 C ATOM 842 C SER A 52 -7.606 -24.808 -5.606 1.00 0.34 C ATOM 843 O SER A 52 -7.752 -24.614 -4.401 1.00 32.24 O ATOM 844 CB SER A 52 -5.935 -26.685 -5.118 1.00 72.34 C ATOM 845 OG SER A 52 -6.554 -27.105 -3.920 1.00 15.31 O ATOM 0 H SER A 52 -5.509 -25.258 -7.358 1.00 63.21 H new ATOM 0 HA SER A 52 -7.762 -26.830 -6.204 1.00 14.01 H new ATOM 0 HB2 SER A 52 -5.422 -27.529 -5.579 1.00 72.34 H new ATOM 0 HB3 SER A 52 -5.177 -25.935 -4.893 1.00 72.34 H new ATOM 0 HG SER A 52 -7.227 -26.446 -3.651 1.00 15.31 H new ATOM 851 N ASP A 53 -8.016 -23.941 -6.545 1.00 20.34 N ATOM 852 CA ASP A 53 -8.773 -22.716 -6.315 1.00 73.11 C ATOM 853 C ASP A 53 -7.965 -21.663 -5.547 1.00 12.44 C ATOM 854 O ASP A 53 -6.910 -21.958 -4.987 1.00 44.31 O ATOM 855 CB ASP A 53 -10.123 -23.047 -5.655 1.00 3.15 C ATOM 856 CG ASP A 53 -11.110 -21.886 -5.740 1.00 15.30 C ATOM 857 OD1 ASP A 53 -11.591 -21.631 -6.866 1.00 62.21 O ATOM 858 OD2 ASP A 53 -11.355 -21.264 -4.684 1.00 21.13 O ATOM 0 H ASP A 53 -7.814 -24.090 -7.534 1.00 20.34 H new ATOM 0 HA ASP A 53 -8.984 -22.255 -7.280 1.00 73.11 H new ATOM 0 HB2 ASP A 53 -10.555 -23.924 -6.137 1.00 3.15 H new ATOM 0 HB3 ASP A 53 -9.960 -23.306 -4.609 1.00 3.15 H new ATOM 863 N LEU A 54 -8.460 -20.419 -5.548 1.00 55.42 N ATOM 864 CA LEU A 54 -7.848 -19.288 -4.869 1.00 44.14 C ATOM 865 C LEU A 54 -8.060 -19.421 -3.355 1.00 71.23 C ATOM 866 O LEU A 54 -8.967 -18.813 -2.788 1.00 44.15 O ATOM 867 CB LEU A 54 -8.451 -17.990 -5.429 1.00 32.14 C ATOM 868 CG LEU A 54 -7.666 -16.758 -4.956 1.00 11.13 C ATOM 869 CD1 LEU A 54 -6.433 -16.532 -5.838 1.00 60.15 C ATOM 870 CD2 LEU A 54 -8.556 -15.511 -4.983 1.00 40.01 C ATOM 0 H LEU A 54 -9.321 -20.173 -6.037 1.00 55.42 H new ATOM 0 HA LEU A 54 -6.772 -19.266 -5.045 1.00 44.14 H new ATOM 0 HB2 LEU A 54 -8.451 -18.027 -6.518 1.00 32.14 H new ATOM 0 HB3 LEU A 54 -9.491 -17.904 -5.113 1.00 32.14 H new ATOM 0 HG LEU A 54 -7.339 -16.939 -3.932 1.00 11.13 H new ATOM 0 HD11 LEU A 54 -5.890 -15.655 -5.487 1.00 60.15 H new ATOM 0 HD12 LEU A 54 -5.783 -17.406 -5.786 1.00 60.15 H new ATOM 0 HD13 LEU A 54 -6.748 -16.375 -6.870 1.00 60.15 H new ATOM 0 HD21 LEU A 54 -7.983 -14.648 -4.645 1.00 40.01 H new ATOM 0 HD22 LEU A 54 -8.908 -15.337 -6.000 1.00 40.01 H new ATOM 0 HD23 LEU A 54 -9.411 -15.660 -4.324 1.00 40.01 H new ATOM 882 N SER A 55 -7.219 -20.237 -2.712 1.00 5.40 N ATOM 883 CA SER A 55 -7.367 -20.643 -1.322 1.00 55.03 C ATOM 884 C SER A 55 -6.469 -19.799 -0.420 1.00 13.44 C ATOM 885 O SER A 55 -5.325 -19.519 -0.768 1.00 72.22 O ATOM 886 CB SER A 55 -7.024 -22.129 -1.195 1.00 42.44 C ATOM 887 OG SER A 55 -7.907 -22.891 -1.990 1.00 25.15 O ATOM 0 H SER A 55 -6.397 -20.641 -3.161 1.00 5.40 H new ATOM 0 HA SER A 55 -8.398 -20.486 -1.005 1.00 55.03 H new ATOM 0 HB2 SER A 55 -5.995 -22.303 -1.509 1.00 42.44 H new ATOM 0 HB3 SER A 55 -7.096 -22.441 -0.153 1.00 42.44 H new ATOM 0 HG SER A 55 -7.403 -23.341 -2.700 1.00 25.15 H new ATOM 893 N PHE A 56 -6.991 -19.409 0.748 1.00 24.43 N ATOM 894 CA PHE A 56 -6.266 -18.623 1.735 1.00 63.54 C ATOM 895 C PHE A 56 -5.297 -19.524 2.493 1.00 20.10 C ATOM 896 O PHE A 56 -5.717 -20.512 3.095 1.00 14.13 O ATOM 897 CB PHE A 56 -7.248 -17.978 2.720 1.00 22.25 C ATOM 898 CG PHE A 56 -8.185 -16.961 2.098 1.00 45.32 C ATOM 899 CD1 PHE A 56 -7.861 -15.591 2.124 1.00 3.02 C ATOM 900 CD2 PHE A 56 -9.395 -17.383 1.514 1.00 12.02 C ATOM 901 CE1 PHE A 56 -8.756 -14.646 1.593 1.00 42.01 C ATOM 902 CE2 PHE A 56 -10.279 -16.439 0.966 1.00 24.15 C ATOM 903 CZ PHE A 56 -9.965 -15.070 1.015 1.00 31.11 C ATOM 0 H PHE A 56 -7.944 -19.637 1.032 1.00 24.43 H new ATOM 0 HA PHE A 56 -5.709 -17.837 1.225 1.00 63.54 H new ATOM 0 HB2 PHE A 56 -7.843 -18.763 3.187 1.00 22.25 H new ATOM 0 HB3 PHE A 56 -6.680 -17.493 3.514 1.00 22.25 H new ATOM 0 HD1 PHE A 56 -6.924 -15.266 2.552 1.00 3.02 H new ATOM 0 HD2 PHE A 56 -9.644 -18.434 1.487 1.00 12.02 H new ATOM 0 HE1 PHE A 56 -8.515 -13.594 1.629 1.00 42.01 H new ATOM 0 HE2 PHE A 56 -11.200 -16.765 0.507 1.00 24.15 H new ATOM 0 HZ PHE A 56 -10.653 -14.344 0.608 1.00 31.11 H new ATOM 913 N SER A 57 -4.010 -19.159 2.495 1.00 62.32 N ATOM 914 CA SER A 57 -2.996 -19.808 3.315 1.00 1.14 C ATOM 915 C SER A 57 -3.359 -19.648 4.794 1.00 41.25 C ATOM 916 O SER A 57 -3.374 -20.620 5.547 1.00 41.02 O ATOM 917 CB SER A 57 -1.628 -19.199 2.993 1.00 52.44 C ATOM 918 OG SER A 57 -1.639 -17.808 3.231 1.00 32.32 O ATOM 0 H SER A 57 -3.646 -18.398 1.921 1.00 62.32 H new ATOM 0 HA SER A 57 -2.951 -20.875 3.098 1.00 1.14 H new ATOM 0 HB2 SER A 57 -0.859 -19.673 3.604 1.00 52.44 H new ATOM 0 HB3 SER A 57 -1.372 -19.394 1.951 1.00 52.44 H new ATOM 0 HG SER A 57 -1.066 -17.359 2.574 1.00 32.32 H new ATOM 924 N LYS A 58 -3.691 -18.411 5.178 1.00 42.21 N ATOM 925 CA LYS A 58 -4.252 -18.042 6.465 1.00 22.52 C ATOM 926 C LYS A 58 -5.004 -16.724 6.281 1.00 23.54 C ATOM 927 O LYS A 58 -6.177 -16.623 6.637 1.00 52.34 O ATOM 928 CB LYS A 58 -3.132 -17.902 7.507 1.00 31.34 C ATOM 929 CG LYS A 58 -3.691 -17.558 8.898 1.00 25.53 C ATOM 930 CD LYS A 58 -2.577 -17.275 9.915 1.00 43.42 C ATOM 931 CE LYS A 58 -2.220 -15.785 10.019 1.00 12.40 C ATOM 932 NZ LYS A 58 -1.745 -15.215 8.747 1.00 13.50 N ATOM 0 H LYS A 58 -3.566 -17.606 4.563 1.00 42.21 H new ATOM 0 HA LYS A 58 -4.937 -18.810 6.826 1.00 22.52 H new ATOM 0 HB2 LYS A 58 -2.567 -18.832 7.562 1.00 31.34 H new ATOM 0 HB3 LYS A 58 -2.436 -17.124 7.192 1.00 31.34 H new ATOM 0 HG2 LYS A 58 -4.341 -16.686 8.821 1.00 25.53 H new ATOM 0 HG3 LYS A 58 -4.306 -18.384 9.255 1.00 25.53 H new ATOM 0 HD2 LYS A 58 -2.887 -17.637 10.895 1.00 43.42 H new ATOM 0 HD3 LYS A 58 -1.686 -17.837 9.635 1.00 43.42 H new ATOM 0 HE2 LYS A 58 -3.096 -15.230 10.354 1.00 12.40 H new ATOM 0 HE3 LYS A 58 -1.450 -15.654 10.779 1.00 12.40 H new ATOM 0 HZ1 LYS A 58 -1.362 -14.263 8.915 1.00 13.50 H new ATOM 0 HZ2 LYS A 58 -1.000 -15.823 8.351 1.00 13.50 H new ATOM 0 HZ3 LYS A 58 -2.537 -15.156 8.076 1.00 13.50 H new ATOM 946 N ASP A 59 -4.311 -15.721 5.727 1.00 3.11 N ATOM 947 CA ASP A 59 -4.842 -14.393 5.476 1.00 51.41 C ATOM 948 C ASP A 59 -4.074 -13.759 4.316 1.00 23.34 C ATOM 949 O ASP A 59 -2.845 -13.820 4.281 1.00 33.53 O ATOM 950 CB ASP A 59 -4.704 -13.543 6.745 1.00 60.35 C ATOM 951 CG ASP A 59 -5.304 -12.152 6.560 1.00 22.13 C ATOM 952 OD1 ASP A 59 -4.509 -11.187 6.532 1.00 25.21 O ATOM 953 OD2 ASP A 59 -6.546 -12.079 6.444 1.00 0.24 O ATOM 0 H ASP A 59 -3.339 -15.823 5.436 1.00 3.11 H new ATOM 0 HA ASP A 59 -5.897 -14.453 5.210 1.00 51.41 H new ATOM 0 HB2 ASP A 59 -5.200 -14.046 7.576 1.00 60.35 H new ATOM 0 HB3 ASP A 59 -3.651 -13.453 7.010 1.00 60.35 H new ATOM 958 N GLY A 60 -4.806 -13.138 3.384 1.00 41.23 N ATOM 959 CA GLY A 60 -4.241 -12.362 2.293 1.00 75.24 C ATOM 960 C GLY A 60 -3.700 -13.251 1.176 1.00 13.01 C ATOM 961 O GLY A 60 -4.324 -13.362 0.124 1.00 75.43 O ATOM 0 H GLY A 60 -5.826 -13.166 3.374 1.00 41.23 H new ATOM 0 HA2 GLY A 60 -5.004 -11.697 1.889 1.00 75.24 H new ATOM 0 HA3 GLY A 60 -3.438 -11.731 2.675 1.00 75.24 H new ATOM 965 N SER A 61 -2.516 -13.840 1.388 1.00 53.43 N ATOM 966 CA SER A 61 -1.767 -14.541 0.357 1.00 0.45 C ATOM 967 C SER A 61 -2.492 -15.804 -0.108 1.00 25.24 C ATOM 968 O SER A 61 -2.918 -16.622 0.707 1.00 51.03 O ATOM 969 CB SER A 61 -0.356 -14.854 0.857 1.00 45.22 C ATOM 970 OG SER A 61 -0.375 -15.648 2.023 1.00 1.30 O ATOM 0 H SER A 61 -2.052 -13.838 2.296 1.00 53.43 H new ATOM 0 HA SER A 61 -1.688 -13.889 -0.513 1.00 0.45 H new ATOM 0 HB2 SER A 61 0.200 -15.371 0.075 1.00 45.22 H new ATOM 0 HB3 SER A 61 0.172 -13.922 1.061 1.00 45.22 H new ATOM 0 HG SER A 61 0.544 -15.828 2.311 1.00 1.30 H new ATOM 976 N PHE A 62 -2.646 -15.925 -1.432 1.00 12.42 N ATOM 977 CA PHE A 62 -3.504 -16.910 -2.066 1.00 60.32 C ATOM 978 C PHE A 62 -2.678 -18.033 -2.691 1.00 41.42 C ATOM 979 O PHE A 62 -1.902 -17.776 -3.611 1.00 3.50 O ATOM 980 CB PHE A 62 -4.322 -16.217 -3.156 1.00 53.24 C ATOM 981 CG PHE A 62 -5.115 -15.011 -2.692 1.00 15.13 C ATOM 982 CD1 PHE A 62 -6.307 -15.186 -1.967 1.00 62.21 C ATOM 983 CD2 PHE A 62 -4.682 -13.714 -3.023 1.00 1.53 C ATOM 984 CE1 PHE A 62 -7.101 -14.072 -1.643 1.00 31.34 C ATOM 985 CE2 PHE A 62 -5.475 -12.600 -2.700 1.00 42.53 C ATOM 986 CZ PHE A 62 -6.691 -12.781 -2.020 1.00 61.42 C ATOM 0 H PHE A 62 -2.163 -15.323 -2.099 1.00 12.42 H new ATOM 0 HA PHE A 62 -4.160 -17.346 -1.312 1.00 60.32 H new ATOM 0 HB2 PHE A 62 -3.647 -15.905 -3.953 1.00 53.24 H new ATOM 0 HB3 PHE A 62 -5.011 -16.942 -3.588 1.00 53.24 H new ATOM 0 HD1 PHE A 62 -6.612 -16.175 -1.659 1.00 62.21 H new ATOM 0 HD2 PHE A 62 -3.737 -13.574 -3.527 1.00 1.53 H new ATOM 0 HE1 PHE A 62 -8.027 -14.208 -1.104 1.00 31.34 H new ATOM 0 HE2 PHE A 62 -5.151 -11.607 -2.974 1.00 42.53 H new ATOM 0 HZ PHE A 62 -7.311 -11.928 -1.787 1.00 61.42 H new ATOM 996 N TYR A 63 -2.861 -19.271 -2.215 1.00 44.51 N ATOM 997 CA TYR A 63 -2.201 -20.441 -2.774 1.00 11.24 C ATOM 998 C TYR A 63 -3.130 -21.219 -3.704 1.00 65.41 C ATOM 999 O TYR A 63 -4.241 -21.584 -3.321 1.00 73.31 O ATOM 1000 CB TYR A 63 -1.626 -21.327 -1.662 1.00 72.11 C ATOM 1001 CG TYR A 63 -2.601 -22.272 -0.986 1.00 45.32 C ATOM 1002 CD1 TYR A 63 -3.302 -21.866 0.162 1.00 11.33 C ATOM 1003 CD2 TYR A 63 -2.836 -23.547 -1.535 1.00 40.41 C ATOM 1004 CE1 TYR A 63 -4.205 -22.747 0.782 1.00 44.21 C ATOM 1005 CE2 TYR A 63 -3.745 -24.423 -0.922 1.00 41.42 C ATOM 1006 CZ TYR A 63 -4.429 -24.024 0.239 1.00 43.13 C ATOM 1007 OH TYR A 63 -5.317 -24.873 0.832 1.00 4.52 O ATOM 0 H TYR A 63 -3.475 -19.482 -1.428 1.00 44.51 H new ATOM 0 HA TYR A 63 -1.365 -20.097 -3.383 1.00 11.24 H new ATOM 0 HB2 TYR A 63 -0.812 -21.918 -2.081 1.00 72.11 H new ATOM 0 HB3 TYR A 63 -1.191 -20.681 -0.900 1.00 72.11 H new ATOM 0 HD1 TYR A 63 -3.147 -20.877 0.568 1.00 11.33 H new ATOM 0 HD2 TYR A 63 -2.315 -23.852 -2.431 1.00 40.41 H new ATOM 0 HE1 TYR A 63 -4.727 -22.442 1.677 1.00 44.21 H new ATOM 0 HE2 TYR A 63 -3.919 -25.403 -1.342 1.00 41.42 H new ATOM 0 HH TYR A 63 -5.353 -25.713 0.329 1.00 4.52 H new ATOM 1017 N LEU A 64 -2.645 -21.500 -4.915 1.00 4.42 N ATOM 1018 CA LEU A 64 -3.205 -22.502 -5.812 1.00 5.14 C ATOM 1019 C LEU A 64 -2.284 -23.726 -5.839 1.00 53.45 C ATOM 1020 O LEU A 64 -1.274 -23.773 -5.135 1.00 22.21 O ATOM 1021 CB LEU A 64 -3.373 -21.885 -7.206 1.00 1.32 C ATOM 1022 CG LEU A 64 -4.490 -20.824 -7.207 1.00 65.51 C ATOM 1023 CD1 LEU A 64 -3.917 -19.428 -7.448 1.00 43.31 C ATOM 1024 CD2 LEU A 64 -5.556 -21.151 -8.257 1.00 0.55 C ATOM 0 H LEU A 64 -1.832 -21.023 -5.305 1.00 4.42 H new ATOM 0 HA LEU A 64 -4.185 -22.828 -5.464 1.00 5.14 H new ATOM 0 HB2 LEU A 64 -2.434 -21.431 -7.522 1.00 1.32 H new ATOM 0 HB3 LEU A 64 -3.608 -22.667 -7.928 1.00 1.32 H new ATOM 0 HG LEU A 64 -4.961 -20.837 -6.224 1.00 65.51 H new ATOM 0 HD11 LEU A 64 -4.726 -18.697 -7.444 1.00 43.31 H new ATOM 0 HD12 LEU A 64 -3.205 -19.186 -6.659 1.00 43.31 H new ATOM 0 HD13 LEU A 64 -3.411 -19.404 -8.413 1.00 43.31 H new ATOM 0 HD21 LEU A 64 -6.333 -20.387 -8.237 1.00 0.55 H new ATOM 0 HD22 LEU A 64 -5.097 -21.176 -9.245 1.00 0.55 H new ATOM 0 HD23 LEU A 64 -5.998 -22.123 -8.037 1.00 0.55 H new ATOM 1036 N LEU A 65 -2.634 -24.715 -6.667 1.00 74.42 N ATOM 1037 CA LEU A 65 -1.851 -25.919 -6.884 1.00 3.15 C ATOM 1038 C LEU A 65 -2.133 -26.368 -8.315 1.00 53.34 C ATOM 1039 O LEU A 65 -3.060 -27.139 -8.553 1.00 41.21 O ATOM 1040 CB LEU A 65 -2.255 -26.975 -5.843 1.00 74.31 C ATOM 1041 CG LEU A 65 -1.458 -28.283 -5.943 1.00 72.24 C ATOM 1042 CD1 LEU A 65 -0.049 -28.127 -5.369 1.00 0.44 C ATOM 1043 CD2 LEU A 65 -2.199 -29.382 -5.173 1.00 42.03 C ATOM 0 H LEU A 65 -3.494 -24.692 -7.216 1.00 74.42 H new ATOM 0 HA LEU A 65 -0.780 -25.754 -6.764 1.00 3.15 H new ATOM 0 HB2 LEU A 65 -2.124 -26.556 -4.845 1.00 74.31 H new ATOM 0 HB3 LEU A 65 -3.316 -27.198 -5.958 1.00 74.31 H new ATOM 0 HG LEU A 65 -1.367 -28.548 -6.996 1.00 72.24 H new ATOM 0 HD11 LEU A 65 0.486 -29.072 -5.457 1.00 0.44 H new ATOM 0 HD12 LEU A 65 0.486 -27.355 -5.922 1.00 0.44 H new ATOM 0 HD13 LEU A 65 -0.113 -27.842 -4.319 1.00 0.44 H new ATOM 0 HD21 LEU A 65 -1.638 -30.314 -5.240 1.00 42.03 H new ATOM 0 HD22 LEU A 65 -2.296 -29.091 -4.127 1.00 42.03 H new ATOM 0 HD23 LEU A 65 -3.190 -29.523 -5.604 1.00 42.03 H new ATOM 1055 N TYR A 66 -1.353 -25.852 -9.271 1.00 75.31 N ATOM 1056 CA TYR A 66 -1.574 -26.093 -10.690 1.00 4.21 C ATOM 1057 C TYR A 66 -0.940 -27.425 -11.086 1.00 60.43 C ATOM 1058 O TYR A 66 0.193 -27.445 -11.568 1.00 21.25 O ATOM 1059 CB TYR A 66 -1.036 -24.926 -11.528 1.00 41.02 C ATOM 1060 CG TYR A 66 -1.820 -23.634 -11.399 1.00 72.33 C ATOM 1061 CD1 TYR A 66 -1.508 -22.718 -10.376 1.00 11.31 C ATOM 1062 CD2 TYR A 66 -2.784 -23.293 -12.367 1.00 31.35 C ATOM 1063 CE1 TYR A 66 -2.113 -21.449 -10.361 1.00 20.40 C ATOM 1064 CE2 TYR A 66 -3.400 -22.030 -12.341 1.00 73.41 C ATOM 1065 CZ TYR A 66 -3.054 -21.101 -11.344 1.00 73.42 C ATOM 1066 OH TYR A 66 -3.619 -19.858 -11.328 1.00 43.05 O ATOM 0 H TYR A 66 -0.550 -25.254 -9.076 1.00 75.31 H new ATOM 0 HA TYR A 66 -2.644 -26.156 -10.887 1.00 4.21 H new ATOM 0 HB2 TYR A 66 -0.002 -24.737 -11.240 1.00 41.02 H new ATOM 0 HB3 TYR A 66 -1.025 -25.225 -12.576 1.00 41.02 H new ATOM 0 HD1 TYR A 66 -0.804 -22.990 -9.603 1.00 11.31 H new ATOM 0 HD2 TYR A 66 -3.051 -24.006 -13.133 1.00 31.35 H new ATOM 0 HE1 TYR A 66 -1.853 -20.739 -9.590 1.00 20.40 H new ATOM 0 HE2 TYR A 66 -4.138 -21.773 -13.086 1.00 73.41 H new ATOM 0 HH TYR A 66 -4.248 -19.775 -12.075 1.00 43.05 H new ATOM 1076 N TYR A 67 -1.665 -28.532 -10.857 1.00 1.42 N ATOM 1077 CA TYR A 67 -1.135 -29.875 -11.046 1.00 5.34 C ATOM 1078 C TYR A 67 -1.601 -30.501 -12.358 1.00 3.24 C ATOM 1079 O TYR A 67 -2.769 -30.385 -12.724 1.00 34.44 O ATOM 1080 CB TYR A 67 -1.452 -30.782 -9.847 1.00 45.53 C ATOM 1081 CG TYR A 67 -2.910 -31.171 -9.682 1.00 71.11 C ATOM 1082 CD1 TYR A 67 -3.429 -32.294 -10.357 1.00 4.11 C ATOM 1083 CD2 TYR A 67 -3.740 -30.434 -8.820 1.00 24.24 C ATOM 1084 CE1 TYR A 67 -4.784 -32.640 -10.213 1.00 3.20 C ATOM 1085 CE2 TYR A 67 -5.099 -30.766 -8.692 1.00 43.01 C ATOM 1086 CZ TYR A 67 -5.623 -31.869 -9.390 1.00 42.53 C ATOM 1087 OH TYR A 67 -6.942 -32.195 -9.263 1.00 1.54 O ATOM 0 H TYR A 67 -2.633 -28.512 -10.536 1.00 1.42 H new ATOM 0 HA TYR A 67 -0.051 -29.778 -11.109 1.00 5.34 H new ATOM 0 HB2 TYR A 67 -0.860 -31.693 -9.938 1.00 45.53 H new ATOM 0 HB3 TYR A 67 -1.124 -30.278 -8.938 1.00 45.53 H new ATOM 0 HD1 TYR A 67 -2.785 -32.890 -10.986 1.00 4.11 H new ATOM 0 HD2 TYR A 67 -3.332 -29.610 -8.254 1.00 24.24 H new ATOM 0 HE1 TYR A 67 -5.180 -33.498 -10.735 1.00 3.20 H new ATOM 0 HE2 TYR A 67 -5.742 -30.174 -8.057 1.00 43.01 H new ATOM 0 HH TYR A 67 -7.379 -31.561 -8.657 1.00 1.54 H new ATOM 1097 N THR A 68 -0.673 -31.175 -13.047 1.00 61.42 N ATOM 1098 CA THR A 68 -0.924 -31.915 -14.279 1.00 44.44 C ATOM 1099 C THR A 68 -0.744 -33.423 -14.045 1.00 72.35 C ATOM 1100 O THR A 68 -0.641 -33.868 -12.904 1.00 73.21 O ATOM 1101 CB THR A 68 0.024 -31.367 -15.360 1.00 3.40 C ATOM 1102 OG1 THR A 68 -0.369 -31.818 -16.639 1.00 55.43 O ATOM 1103 CG2 THR A 68 1.493 -31.742 -15.125 1.00 44.41 C ATOM 0 H THR A 68 0.302 -31.219 -12.750 1.00 61.42 H new ATOM 0 HA THR A 68 -1.953 -31.781 -14.613 1.00 44.44 H new ATOM 0 HB THR A 68 -0.050 -30.281 -15.301 1.00 3.40 H new ATOM 0 HG1 THR A 68 0.426 -32.045 -17.165 1.00 55.43 H new ATOM 0 HG21 THR A 68 2.107 -31.325 -15.923 1.00 44.41 H new ATOM 0 HG22 THR A 68 1.822 -31.341 -14.166 1.00 44.41 H new ATOM 0 HG23 THR A 68 1.595 -32.827 -15.119 1.00 44.41 H new ATOM 1111 N GLU A 69 -0.650 -34.194 -15.137 1.00 73.33 N ATOM 1112 CA GLU A 69 -0.191 -35.576 -15.149 1.00 5.44 C ATOM 1113 C GLU A 69 0.685 -35.781 -16.388 1.00 72.53 C ATOM 1114 O GLU A 69 0.181 -36.129 -17.456 1.00 63.53 O ATOM 1115 CB GLU A 69 -1.396 -36.523 -15.136 1.00 43.14 C ATOM 1116 CG GLU A 69 -0.961 -37.994 -15.099 1.00 11.31 C ATOM 1117 CD GLU A 69 -2.149 -38.951 -15.000 1.00 43.43 C ATOM 1118 OE1 GLU A 69 -3.255 -38.550 -15.427 1.00 2.55 O ATOM 1119 OE2 GLU A 69 -1.924 -40.078 -14.507 1.00 14.15 O ATOM 0 H GLU A 69 -0.902 -33.854 -16.065 1.00 73.33 H new ATOM 0 HA GLU A 69 0.402 -35.797 -14.261 1.00 5.44 H new ATOM 0 HB2 GLU A 69 -2.020 -36.306 -14.269 1.00 43.14 H new ATOM 0 HB3 GLU A 69 -2.007 -36.346 -16.021 1.00 43.14 H new ATOM 0 HG2 GLU A 69 -0.387 -38.223 -15.997 1.00 11.31 H new ATOM 0 HG3 GLU A 69 -0.298 -38.153 -14.248 1.00 11.31 H new ATOM 1126 N PHE A 70 1.996 -35.553 -16.243 1.00 0.23 N ATOM 1127 CA PHE A 70 2.966 -35.684 -17.323 1.00 43.04 C ATOM 1128 C PHE A 70 3.626 -37.064 -17.303 1.00 31.12 C ATOM 1129 O PHE A 70 3.694 -37.703 -16.256 1.00 40.01 O ATOM 1130 CB PHE A 70 4.021 -34.580 -17.213 1.00 51.15 C ATOM 1131 CG PHE A 70 4.996 -34.711 -16.054 1.00 11.53 C ATOM 1132 CD1 PHE A 70 6.167 -35.479 -16.198 1.00 54.41 C ATOM 1133 CD2 PHE A 70 4.776 -34.007 -14.858 1.00 11.11 C ATOM 1134 CE1 PHE A 70 7.134 -35.497 -15.180 1.00 44.34 C ATOM 1135 CE2 PHE A 70 5.725 -34.064 -13.821 1.00 25.54 C ATOM 1136 CZ PHE A 70 6.906 -34.798 -13.986 1.00 13.54 C ATOM 0 H PHE A 70 2.413 -35.268 -15.357 1.00 0.23 H new ATOM 0 HA PHE A 70 2.442 -35.579 -18.273 1.00 43.04 H new ATOM 0 HB2 PHE A 70 4.591 -34.554 -18.142 1.00 51.15 H new ATOM 0 HB3 PHE A 70 3.509 -33.622 -17.126 1.00 51.15 H new ATOM 0 HD1 PHE A 70 6.322 -36.058 -17.097 1.00 54.41 H new ATOM 0 HD2 PHE A 70 3.877 -33.421 -14.735 1.00 11.11 H new ATOM 0 HE1 PHE A 70 8.052 -36.049 -15.317 1.00 44.34 H new ATOM 0 HE2 PHE A 70 5.542 -33.540 -12.895 1.00 25.54 H new ATOM 0 HZ PHE A 70 7.640 -34.826 -13.195 1.00 13.54 H new ATOM 1146 N THR A 71 4.133 -37.504 -18.461 1.00 41.51 N ATOM 1147 CA THR A 71 4.774 -38.802 -18.626 1.00 3.14 C ATOM 1148 C THR A 71 6.280 -38.620 -18.875 1.00 43.34 C ATOM 1149 O THR A 71 6.659 -38.305 -20.002 1.00 52.21 O ATOM 1150 CB THR A 71 4.110 -39.544 -19.797 1.00 71.32 C ATOM 1151 OG1 THR A 71 2.708 -39.562 -19.615 1.00 21.34 O ATOM 1152 CG2 THR A 71 4.603 -40.994 -19.865 1.00 12.10 C ATOM 0 H THR A 71 4.106 -36.955 -19.320 1.00 41.51 H new ATOM 0 HA THR A 71 4.653 -39.392 -17.718 1.00 3.14 H new ATOM 0 HB THR A 71 4.370 -39.025 -20.720 1.00 71.32 H new ATOM 0 HG1 THR A 71 2.287 -40.034 -20.364 1.00 21.34 H new ATOM 0 HG21 THR A 71 4.122 -41.503 -20.700 1.00 12.10 H new ATOM 0 HG22 THR A 71 5.684 -41.005 -20.007 1.00 12.10 H new ATOM 0 HG23 THR A 71 4.355 -41.507 -18.936 1.00 12.10 H new ATOM 1160 N PRO A 72 7.151 -38.828 -17.871 1.00 52.51 N ATOM 1161 CA PRO A 72 8.595 -38.824 -18.053 1.00 1.41 C ATOM 1162 C PRO A 72 9.034 -40.125 -18.728 1.00 60.44 C ATOM 1163 O PRO A 72 9.407 -41.077 -18.048 1.00 53.34 O ATOM 1164 CB PRO A 72 9.173 -38.679 -16.644 1.00 24.20 C ATOM 1165 CG PRO A 72 8.133 -39.375 -15.765 1.00 22.40 C ATOM 1166 CD PRO A 72 6.813 -39.086 -16.482 1.00 42.32 C ATOM 0 HA PRO A 72 8.944 -38.017 -18.697 1.00 1.41 H new ATOM 0 HB2 PRO A 72 10.152 -39.151 -16.560 1.00 24.20 H new ATOM 0 HB3 PRO A 72 9.299 -37.633 -16.366 1.00 24.20 H new ATOM 0 HG2 PRO A 72 8.323 -40.446 -15.689 1.00 22.40 H new ATOM 0 HG3 PRO A 72 8.134 -38.978 -14.750 1.00 22.40 H new ATOM 0 HD2 PRO A 72 6.132 -39.933 -16.399 1.00 42.32 H new ATOM 0 HD3 PRO A 72 6.310 -38.227 -16.038 1.00 42.32 H new ATOM 1174 N THR A 73 9.000 -40.161 -20.067 1.00 51.44 N ATOM 1175 CA THR A 73 9.432 -41.319 -20.836 1.00 41.13 C ATOM 1176 C THR A 73 10.952 -41.445 -20.712 1.00 41.52 C ATOM 1177 O THR A 73 11.436 -42.325 -20.006 1.00 11.25 O ATOM 1178 CB THR A 73 8.946 -41.238 -22.296 1.00 4.00 C ATOM 1179 OG1 THR A 73 9.468 -40.115 -22.976 1.00 43.24 O ATOM 1180 CG2 THR A 73 7.419 -41.186 -22.373 1.00 0.20 C ATOM 0 H THR A 73 8.671 -39.384 -20.641 1.00 51.44 H new ATOM 0 HA THR A 73 8.980 -42.226 -20.435 1.00 41.13 H new ATOM 0 HB THR A 73 9.311 -42.143 -22.781 1.00 4.00 H new ATOM 0 HG1 THR A 73 9.388 -39.321 -22.407 1.00 43.24 H new ATOM 0 HG21 THR A 73 7.109 -41.129 -23.416 1.00 0.20 H new ATOM 0 HG22 THR A 73 7.001 -42.084 -21.919 1.00 0.20 H new ATOM 0 HG23 THR A 73 7.057 -40.307 -21.839 1.00 0.20 H new ATOM 1188 N GLU A 74 11.686 -40.534 -21.358 1.00 14.40 N ATOM 1189 CA GLU A 74 13.128 -40.379 -21.251 1.00 54.14 C ATOM 1190 C GLU A 74 13.504 -39.043 -21.891 1.00 53.04 C ATOM 1191 O GLU A 74 12.889 -38.649 -22.881 1.00 61.43 O ATOM 1192 CB GLU A 74 13.849 -41.544 -21.948 1.00 53.42 C ATOM 1193 CG GLU A 74 15.371 -41.419 -21.800 1.00 31.52 C ATOM 1194 CD GLU A 74 16.110 -42.629 -22.362 1.00 35.30 C ATOM 1195 OE1 GLU A 74 15.881 -43.736 -21.829 1.00 42.14 O ATOM 1196 OE2 GLU A 74 16.904 -42.420 -23.305 1.00 13.45 O ATOM 0 H GLU A 74 11.267 -39.858 -21.996 1.00 14.40 H new ATOM 0 HA GLU A 74 13.434 -40.390 -20.205 1.00 54.14 H new ATOM 0 HB2 GLU A 74 13.515 -42.490 -21.521 1.00 53.42 H new ATOM 0 HB3 GLU A 74 13.583 -41.560 -23.005 1.00 53.42 H new ATOM 0 HG2 GLU A 74 15.711 -40.519 -22.312 1.00 31.52 H new ATOM 0 HG3 GLU A 74 15.623 -41.300 -20.746 1.00 31.52 H new ATOM 1203 N LYS A 75 14.508 -38.352 -21.330 1.00 44.24 N ATOM 1204 CA LYS A 75 15.092 -37.122 -21.868 1.00 64.24 C ATOM 1205 C LYS A 75 14.219 -35.880 -21.630 1.00 23.20 C ATOM 1206 O LYS A 75 14.739 -34.765 -21.634 1.00 2.00 O ATOM 1207 CB LYS A 75 15.446 -37.288 -23.359 1.00 5.03 C ATOM 1208 CG LYS A 75 16.593 -36.370 -23.808 1.00 71.11 C ATOM 1209 CD LYS A 75 17.953 -37.074 -23.935 1.00 41.32 C ATOM 1210 CE LYS A 75 18.542 -37.590 -22.615 1.00 73.14 C ATOM 1211 NZ LYS A 75 17.953 -38.876 -22.200 1.00 21.50 N ATOM 0 H LYS A 75 14.948 -38.648 -20.459 1.00 44.24 H new ATOM 0 HA LYS A 75 16.013 -36.948 -21.312 1.00 64.24 H new ATOM 0 HB2 LYS A 75 15.723 -38.325 -23.548 1.00 5.03 H new ATOM 0 HB3 LYS A 75 14.563 -37.079 -23.962 1.00 5.03 H new ATOM 0 HG2 LYS A 75 16.334 -35.929 -24.770 1.00 71.11 H new ATOM 0 HG3 LYS A 75 16.687 -35.550 -23.096 1.00 71.11 H new ATOM 0 HD2 LYS A 75 17.848 -37.914 -24.621 1.00 41.32 H new ATOM 0 HD3 LYS A 75 18.663 -36.381 -24.386 1.00 41.32 H new ATOM 0 HE2 LYS A 75 19.621 -37.706 -22.722 1.00 73.14 H new ATOM 0 HE3 LYS A 75 18.377 -36.849 -21.833 1.00 73.14 H new ATOM 0 HZ1 LYS A 75 18.697 -39.489 -21.811 1.00 21.50 H new ATOM 0 HZ2 LYS A 75 17.228 -38.707 -21.474 1.00 21.50 H new ATOM 0 HZ3 LYS A 75 17.517 -39.340 -23.023 1.00 21.50 H new ATOM 1225 N ASP A 76 12.906 -36.063 -21.432 1.00 2.01 N ATOM 1226 CA ASP A 76 11.930 -34.996 -21.267 1.00 31.34 C ATOM 1227 C ASP A 76 12.310 -34.070 -20.113 1.00 14.24 C ATOM 1228 O ASP A 76 12.694 -34.544 -19.044 1.00 22.10 O ATOM 1229 CB ASP A 76 10.551 -35.609 -21.001 1.00 72.33 C ATOM 1230 CG ASP A 76 10.099 -36.591 -22.079 1.00 75.44 C ATOM 1231 OD1 ASP A 76 9.526 -37.630 -21.686 1.00 2.12 O ATOM 1232 OD2 ASP A 76 10.329 -36.290 -23.270 1.00 54.33 O ATOM 0 H ASP A 76 12.488 -36.992 -21.382 1.00 2.01 H new ATOM 0 HA ASP A 76 11.908 -34.405 -22.182 1.00 31.34 H new ATOM 0 HB2 ASP A 76 10.570 -36.122 -20.039 1.00 72.33 H new ATOM 0 HB3 ASP A 76 9.816 -34.808 -20.920 1.00 72.33 H new ATOM 1237 N GLU A 77 12.198 -32.754 -20.343 1.00 20.54 N ATOM 1238 CA GLU A 77 12.514 -31.714 -19.374 1.00 73.22 C ATOM 1239 C GLU A 77 11.275 -30.855 -19.122 1.00 1.02 C ATOM 1240 O GLU A 77 10.673 -30.323 -20.054 1.00 11.14 O ATOM 1241 CB GLU A 77 13.753 -30.904 -19.802 1.00 53.33 C ATOM 1242 CG GLU A 77 13.587 -29.971 -21.012 1.00 23.33 C ATOM 1243 CD GLU A 77 13.186 -30.711 -22.286 1.00 14.53 C ATOM 1244 OE1 GLU A 77 14.058 -31.417 -22.837 1.00 0.31 O ATOM 1245 OE2 GLU A 77 12.009 -30.565 -22.678 1.00 40.45 O ATOM 0 H GLU A 77 11.875 -32.381 -21.236 1.00 20.54 H new ATOM 0 HA GLU A 77 12.787 -32.170 -18.423 1.00 73.22 H new ATOM 0 HB2 GLU A 77 14.077 -30.303 -18.952 1.00 53.33 H new ATOM 0 HB3 GLU A 77 14.558 -31.605 -20.022 1.00 53.33 H new ATOM 0 HG2 GLU A 77 12.832 -29.219 -20.783 1.00 23.33 H new ATOM 0 HG3 GLU A 77 14.523 -29.441 -21.186 1.00 23.33 H new ATOM 1252 N TYR A 78 10.875 -30.764 -17.849 1.00 40.23 N ATOM 1253 CA TYR A 78 9.644 -30.125 -17.414 1.00 1.21 C ATOM 1254 C TYR A 78 9.967 -28.785 -16.769 1.00 23.22 C ATOM 1255 O TYR A 78 10.949 -28.677 -16.033 1.00 40.13 O ATOM 1256 CB TYR A 78 8.931 -31.048 -16.420 1.00 31.52 C ATOM 1257 CG TYR A 78 8.589 -32.393 -17.025 1.00 53.32 C ATOM 1258 CD1 TYR A 78 9.559 -33.413 -17.078 1.00 12.23 C ATOM 1259 CD2 TYR A 78 7.403 -32.525 -17.768 1.00 72.33 C ATOM 1260 CE1 TYR A 78 9.325 -34.576 -17.829 1.00 42.34 C ATOM 1261 CE2 TYR A 78 7.207 -33.651 -18.581 1.00 52.42 C ATOM 1262 CZ TYR A 78 8.157 -34.684 -18.599 1.00 60.43 C ATOM 1263 OH TYR A 78 7.936 -35.794 -19.358 1.00 72.34 O ATOM 0 H TYR A 78 11.420 -31.146 -17.076 1.00 40.23 H new ATOM 0 HA TYR A 78 8.989 -29.947 -18.267 1.00 1.21 H new ATOM 0 HB2 TYR A 78 9.566 -31.196 -15.546 1.00 31.52 H new ATOM 0 HB3 TYR A 78 8.017 -30.566 -16.072 1.00 31.52 H new ATOM 0 HD1 TYR A 78 10.488 -33.300 -16.538 1.00 12.23 H new ATOM 0 HD2 TYR A 78 6.643 -31.760 -17.713 1.00 72.33 H new ATOM 0 HE1 TYR A 78 10.041 -35.384 -17.814 1.00 42.34 H new ATOM 0 HE2 TYR A 78 6.322 -33.723 -19.195 1.00 52.42 H new ATOM 0 HH TYR A 78 7.080 -35.705 -19.826 1.00 72.34 H new ATOM 1273 N ALA A 79 9.140 -27.768 -17.034 1.00 20.30 N ATOM 1274 CA ALA A 79 9.316 -26.453 -16.444 1.00 34.12 C ATOM 1275 C ALA A 79 7.976 -25.738 -16.323 1.00 12.13 C ATOM 1276 O ALA A 79 7.190 -25.737 -17.271 1.00 45.24 O ATOM 1277 CB ALA A 79 10.299 -25.629 -17.280 1.00 5.34 C ATOM 0 H ALA A 79 8.338 -27.840 -17.660 1.00 20.30 H new ATOM 0 HA ALA A 79 9.728 -26.570 -15.442 1.00 34.12 H new ATOM 0 HB1 ALA A 79 10.424 -24.645 -16.829 1.00 5.34 H new ATOM 0 HB2 ALA A 79 11.263 -26.137 -17.314 1.00 5.34 H new ATOM 0 HB3 ALA A 79 9.911 -25.518 -18.293 1.00 5.34 H new ATOM 1283 N CYS A 80 7.731 -25.125 -15.157 1.00 73.54 N ATOM 1284 CA CYS A 80 6.511 -24.378 -14.898 1.00 35.24 C ATOM 1285 C CYS A 80 6.709 -22.924 -15.319 1.00 44.24 C ATOM 1286 O CYS A 80 7.743 -22.324 -15.029 1.00 21.11 O ATOM 1287 CB CYS A 80 6.091 -24.506 -13.429 1.00 4.03 C ATOM 1288 SG CYS A 80 4.302 -24.334 -13.174 1.00 0.34 S ATOM 0 H CYS A 80 8.380 -25.138 -14.370 1.00 73.54 H new ATOM 0 HA CYS A 80 5.696 -24.795 -15.489 1.00 35.24 H new ATOM 0 HB2 CYS A 80 6.413 -25.476 -13.050 1.00 4.03 H new ATOM 0 HB3 CYS A 80 6.609 -23.747 -12.843 1.00 4.03 H new ATOM 1293 N ARG A 81 5.712 -22.374 -16.019 1.00 64.23 N ATOM 1294 CA ARG A 81 5.693 -21.008 -16.505 1.00 5.02 C ATOM 1295 C ARG A 81 5.082 -20.161 -15.398 1.00 14.24 C ATOM 1296 O ARG A 81 4.075 -20.572 -14.823 1.00 63.11 O ATOM 1297 CB ARG A 81 4.799 -20.962 -17.748 1.00 22.13 C ATOM 1298 CG ARG A 81 4.793 -19.610 -18.461 1.00 21.31 C ATOM 1299 CD ARG A 81 6.095 -19.386 -19.229 1.00 51.52 C ATOM 1300 NE ARG A 81 5.963 -18.271 -20.172 1.00 74.24 N ATOM 1301 CZ ARG A 81 5.414 -18.336 -21.396 1.00 61.31 C ATOM 1302 NH1 ARG A 81 4.905 -19.483 -21.870 1.00 71.32 N ATOM 1303 NH2 ARG A 81 5.377 -17.230 -22.151 1.00 1.24 N ATOM 0 H ARG A 81 4.870 -22.894 -16.267 1.00 64.23 H new ATOM 0 HA ARG A 81 6.688 -20.644 -16.762 1.00 5.02 H new ATOM 0 HB2 ARG A 81 5.129 -21.729 -18.449 1.00 22.13 H new ATOM 0 HB3 ARG A 81 3.779 -21.213 -17.458 1.00 22.13 H new ATOM 0 HG2 ARG A 81 3.949 -19.562 -19.149 1.00 21.31 H new ATOM 0 HG3 ARG A 81 4.656 -18.812 -17.732 1.00 21.31 H new ATOM 0 HD2 ARG A 81 6.904 -19.181 -18.528 1.00 51.52 H new ATOM 0 HD3 ARG A 81 6.364 -20.294 -19.769 1.00 51.52 H new ATOM 0 HE ARG A 81 6.320 -17.364 -19.871 1.00 74.24 H new ATOM 0 HH11 ARG A 81 4.930 -20.327 -21.298 1.00 71.32 H new ATOM 0 HH12 ARG A 81 4.492 -19.511 -22.802 1.00 71.32 H new ATOM 0 HH21 ARG A 81 5.762 -16.356 -21.794 1.00 1.24 H new ATOM 0 HH22 ARG A 81 4.964 -17.262 -23.083 1.00 1.24 H new ATOM 1317 N VAL A 82 5.681 -19.008 -15.083 1.00 32.42 N ATOM 1318 CA VAL A 82 5.191 -18.157 -14.011 1.00 44.04 C ATOM 1319 C VAL A 82 5.311 -16.692 -14.435 1.00 75.14 C ATOM 1320 O VAL A 82 6.396 -16.111 -14.380 1.00 43.43 O ATOM 1321 CB VAL A 82 5.926 -18.460 -12.689 1.00 31.23 C ATOM 1322 CG1 VAL A 82 5.156 -17.822 -11.529 1.00 52.43 C ATOM 1323 CG2 VAL A 82 6.062 -19.961 -12.392 1.00 12.54 C ATOM 0 H VAL A 82 6.507 -18.648 -15.561 1.00 32.42 H new ATOM 0 HA VAL A 82 4.137 -18.365 -13.825 1.00 44.04 H new ATOM 0 HB VAL A 82 6.930 -18.049 -12.795 1.00 31.23 H new ATOM 0 HG11 VAL A 82 5.670 -18.033 -10.591 1.00 52.43 H new ATOM 0 HG12 VAL A 82 5.101 -16.744 -11.678 1.00 52.43 H new ATOM 0 HG13 VAL A 82 4.148 -18.235 -11.491 1.00 52.43 H new ATOM 0 HG21 VAL A 82 6.589 -20.099 -11.448 1.00 12.54 H new ATOM 0 HG22 VAL A 82 5.071 -20.410 -12.324 1.00 12.54 H new ATOM 0 HG23 VAL A 82 6.623 -20.441 -13.194 1.00 12.54 H new ATOM 1333 N ASN A 83 4.176 -16.103 -14.837 1.00 13.13 N ATOM 1334 CA ASN A 83 4.006 -14.668 -15.045 1.00 15.33 C ATOM 1335 C ASN A 83 2.933 -14.171 -14.075 1.00 2.01 C ATOM 1336 O ASN A 83 2.126 -14.956 -13.579 1.00 20.13 O ATOM 1337 CB ASN A 83 3.619 -14.361 -16.499 1.00 23.30 C ATOM 1338 CG ASN A 83 4.699 -14.780 -17.492 1.00 22.41 C ATOM 1339 OD1 ASN A 83 5.473 -13.948 -17.963 1.00 34.44 O ATOM 1340 ND2 ASN A 83 4.741 -16.073 -17.821 1.00 25.30 N ATOM 0 H ASN A 83 3.327 -16.634 -15.031 1.00 13.13 H new ATOM 0 HA ASN A 83 4.947 -14.153 -14.854 1.00 15.33 H new ATOM 0 HB2 ASN A 83 2.689 -14.875 -16.740 1.00 23.30 H new ATOM 0 HB3 ASN A 83 3.429 -13.293 -16.603 1.00 23.30 H new ATOM 0 HD21 ASN A 83 5.436 -16.407 -18.489 1.00 25.30 H new ATOM 0 HD22 ASN A 83 4.078 -16.727 -17.404 1.00 25.30 H new ATOM 1347 N HIS A 84 2.953 -12.866 -13.780 1.00 0.00 N ATOM 1348 CA HIS A 84 2.141 -12.226 -12.754 1.00 0.00 C ATOM 1349 C HIS A 84 2.255 -10.711 -12.948 1.00 0.00 C ATOM 1350 O HIS A 84 3.129 -10.253 -13.684 1.00 0.00 O ATOM 1351 CB HIS A 84 2.657 -12.664 -11.372 1.00 0.00 C ATOM 1352 CG HIS A 84 1.936 -12.079 -10.184 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.599 -11.233 -9.298 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.649 -12.250 -9.748 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.692 -10.922 -8.372 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.499 -11.493 -8.605 1.00 0.00 N ATOM 0 H HIS A 84 3.559 -12.208 -14.270 1.00 0.00 H new ATOM 0 HA HIS A 84 1.092 -12.514 -12.827 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.596 -13.751 -11.311 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.712 -12.399 -11.299 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.108 -12.864 -10.213 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.894 -10.281 -7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.349 -11.388 -8.048 1.00 0.00 H new ATOM 1364 N VAL A 85 1.384 -9.932 -12.292 1.00 34.20 N ATOM 1365 CA VAL A 85 1.380 -8.476 -12.400 1.00 20.24 C ATOM 1366 C VAL A 85 2.749 -7.873 -12.042 1.00 4.40 C ATOM 1367 O VAL A 85 3.147 -6.876 -12.640 1.00 32.54 O ATOM 1368 CB VAL A 85 0.210 -7.877 -11.592 1.00 14.12 C ATOM 1369 CG1 VAL A 85 0.419 -7.974 -10.077 1.00 11.42 C ATOM 1370 CG2 VAL A 85 -0.048 -6.414 -11.975 1.00 13.11 C ATOM 0 H VAL A 85 0.663 -10.300 -11.671 1.00 34.20 H new ATOM 0 HA VAL A 85 1.211 -8.204 -13.442 1.00 20.24 H new ATOM 0 HB VAL A 85 -0.661 -8.479 -11.850 1.00 14.12 H new ATOM 0 HG11 VAL A 85 -0.437 -7.536 -9.563 1.00 11.42 H new ATOM 0 HG12 VAL A 85 0.518 -9.021 -9.790 1.00 11.42 H new ATOM 0 HG13 VAL A 85 1.324 -7.434 -9.799 1.00 11.42 H new ATOM 0 HG21 VAL A 85 -0.879 -6.025 -11.386 1.00 13.11 H new ATOM 0 HG22 VAL A 85 0.846 -5.823 -11.776 1.00 13.11 H new ATOM 0 HG23 VAL A 85 -0.295 -6.353 -13.035 1.00 13.11 H new ATOM 1380 N THR A 86 3.488 -8.495 -11.110 1.00 71.34 N ATOM 1381 CA THR A 86 4.848 -8.096 -10.767 1.00 43.41 C ATOM 1382 C THR A 86 5.856 -8.550 -11.827 1.00 53.22 C ATOM 1383 O THR A 86 6.732 -7.772 -12.203 1.00 31.11 O ATOM 1384 CB THR A 86 5.253 -8.639 -9.387 1.00 11.02 C ATOM 1385 OG1 THR A 86 5.178 -10.047 -9.345 1.00 40.24 O ATOM 1386 CG2 THR A 86 4.394 -8.040 -8.271 1.00 72.34 C ATOM 0 H THR A 86 3.150 -9.294 -10.574 1.00 71.34 H new ATOM 0 HA THR A 86 4.861 -7.007 -10.732 1.00 43.41 H new ATOM 0 HB THR A 86 6.288 -8.340 -9.223 1.00 11.02 H new ATOM 0 HG1 THR A 86 4.239 -10.325 -9.363 1.00 40.24 H new ATOM 0 HG21 THR A 86 4.710 -8.447 -7.311 1.00 72.34 H new ATOM 0 HG22 THR A 86 4.513 -6.957 -8.262 1.00 72.34 H new ATOM 0 HG23 THR A 86 3.347 -8.289 -8.444 1.00 72.34 H new ATOM 1394 N LEU A 87 5.774 -9.813 -12.268 1.00 22.43 N ATOM 1395 CA LEU A 87 6.812 -10.432 -13.080 1.00 60.24 C ATOM 1396 C LEU A 87 6.659 -10.020 -14.543 1.00 3.11 C ATOM 1397 O LEU A 87 5.828 -10.566 -15.267 1.00 24.51 O ATOM 1398 CB LEU A 87 6.799 -11.960 -12.930 1.00 53.02 C ATOM 1399 CG LEU A 87 6.767 -12.453 -11.471 1.00 75.12 C ATOM 1400 CD1 LEU A 87 6.714 -13.984 -11.447 1.00 22.41 C ATOM 1401 CD2 LEU A 87 7.956 -11.946 -10.647 1.00 23.43 C ATOM 0 H LEU A 87 4.985 -10.427 -12.068 1.00 22.43 H new ATOM 0 HA LEU A 87 7.780 -10.078 -12.724 1.00 60.24 H new ATOM 0 HB2 LEU A 87 5.930 -12.358 -13.455 1.00 53.02 H new ATOM 0 HB3 LEU A 87 7.682 -12.369 -13.420 1.00 53.02 H new ATOM 0 HG LEU A 87 5.870 -12.043 -11.007 1.00 75.12 H new ATOM 0 HD11 LEU A 87 6.691 -14.331 -10.414 1.00 22.41 H new ATOM 0 HD12 LEU A 87 5.817 -14.325 -11.964 1.00 22.41 H new ATOM 0 HD13 LEU A 87 7.596 -14.386 -11.946 1.00 22.41 H new ATOM 0 HD21 LEU A 87 7.880 -12.325 -9.628 1.00 23.43 H new ATOM 0 HD22 LEU A 87 8.886 -12.296 -11.096 1.00 23.43 H new ATOM 0 HD23 LEU A 87 7.949 -10.856 -10.630 1.00 23.43 H new ATOM 1413 N SER A 88 7.501 -9.073 -14.971 1.00 40.54 N ATOM 1414 CA SER A 88 7.631 -8.658 -16.359 1.00 31.45 C ATOM 1415 C SER A 88 7.989 -9.854 -17.247 1.00 33.24 C ATOM 1416 O SER A 88 7.374 -10.054 -18.293 1.00 21.24 O ATOM 1417 CB SER A 88 8.707 -7.569 -16.448 1.00 51.42 C ATOM 1418 OG SER A 88 8.934 -7.203 -17.792 1.00 53.11 O ATOM 0 H SER A 88 8.123 -8.566 -14.341 1.00 40.54 H new ATOM 0 HA SER A 88 6.681 -8.258 -16.714 1.00 31.45 H new ATOM 0 HB2 SER A 88 8.396 -6.695 -15.875 1.00 51.42 H new ATOM 0 HB3 SER A 88 9.634 -7.929 -16.002 1.00 51.42 H new ATOM 0 HG SER A 88 9.622 -6.506 -17.830 1.00 53.11 H new ATOM 1424 N GLN A 89 8.997 -10.631 -16.829 1.00 75.25 N ATOM 1425 CA GLN A 89 9.585 -11.701 -17.624 1.00 63.32 C ATOM 1426 C GLN A 89 9.009 -13.048 -17.181 1.00 13.12 C ATOM 1427 O GLN A 89 8.638 -13.190 -16.015 1.00 4.25 O ATOM 1428 CB GLN A 89 11.112 -11.686 -17.461 1.00 71.15 C ATOM 1429 CG GLN A 89 11.725 -10.378 -17.975 1.00 13.42 C ATOM 1430 CD GLN A 89 13.246 -10.389 -17.837 1.00 13.01 C ATOM 1431 OE1 GLN A 89 13.800 -9.684 -16.997 1.00 22.10 O ATOM 1432 NE2 GLN A 89 13.925 -11.190 -18.662 1.00 60.12 N ATOM 0 H GLN A 89 9.430 -10.526 -15.911 1.00 75.25 H new ATOM 0 HA GLN A 89 9.345 -11.549 -18.676 1.00 63.32 H new ATOM 0 HB2 GLN A 89 11.367 -11.819 -16.410 1.00 71.15 H new ATOM 0 HB3 GLN A 89 11.544 -12.528 -18.002 1.00 71.15 H new ATOM 0 HG2 GLN A 89 11.453 -10.232 -19.020 1.00 13.42 H new ATOM 0 HG3 GLN A 89 11.313 -9.537 -17.418 1.00 13.42 H new ATOM 0 HE21 GLN A 89 13.426 -11.759 -19.345 1.00 60.12 H new ATOM 0 HE22 GLN A 89 14.943 -11.232 -18.609 1.00 60.12 H new ATOM 1441 N PRO A 90 8.943 -14.045 -18.079 1.00 0.02 N ATOM 1442 CA PRO A 90 8.453 -15.373 -17.756 1.00 31.10 C ATOM 1443 C PRO A 90 9.523 -16.154 -16.993 1.00 2.05 C ATOM 1444 O PRO A 90 10.623 -16.360 -17.503 1.00 60.33 O ATOM 1445 CB PRO A 90 8.151 -16.012 -19.109 1.00 44.25 C ATOM 1446 CG PRO A 90 9.177 -15.378 -20.044 1.00 21.21 C ATOM 1447 CD PRO A 90 9.292 -13.957 -19.491 1.00 43.42 C ATOM 0 HA PRO A 90 7.571 -15.357 -17.116 1.00 31.10 H new ATOM 0 HB2 PRO A 90 8.258 -17.096 -19.073 1.00 44.25 H new ATOM 0 HB3 PRO A 90 7.131 -15.803 -19.432 1.00 44.25 H new ATOM 0 HG2 PRO A 90 10.132 -15.903 -20.016 1.00 21.21 H new ATOM 0 HG3 PRO A 90 8.840 -15.384 -21.081 1.00 21.21 H new ATOM 0 HD2 PRO A 90 10.303 -13.569 -19.620 1.00 43.42 H new ATOM 0 HD3 PRO A 90 8.621 -13.278 -20.017 1.00 43.42 H new ATOM 1455 N LYS A 91 9.199 -16.589 -15.770 1.00 12.30 N ATOM 1456 CA LYS A 91 10.114 -17.366 -14.948 1.00 33.11 C ATOM 1457 C LYS A 91 9.913 -18.844 -15.279 1.00 14.03 C ATOM 1458 O LYS A 91 8.904 -19.438 -14.901 1.00 44.04 O ATOM 1459 CB LYS A 91 9.896 -17.065 -13.458 1.00 54.11 C ATOM 1460 CG LYS A 91 10.673 -15.833 -12.971 1.00 53.54 C ATOM 1461 CD LYS A 91 10.283 -14.531 -13.679 1.00 33.53 C ATOM 1462 CE LYS A 91 11.022 -13.347 -13.049 1.00 22.52 C ATOM 1463 NZ LYS A 91 10.563 -12.065 -13.608 1.00 60.33 N ATOM 0 H LYS A 91 8.297 -16.409 -15.330 1.00 12.30 H new ATOM 0 HA LYS A 91 11.147 -17.094 -15.164 1.00 33.11 H new ATOM 0 HB2 LYS A 91 8.832 -16.911 -13.277 1.00 54.11 H new ATOM 0 HB3 LYS A 91 10.197 -17.932 -12.871 1.00 54.11 H new ATOM 0 HG2 LYS A 91 10.512 -15.714 -11.900 1.00 53.54 H new ATOM 0 HG3 LYS A 91 11.739 -16.008 -13.115 1.00 53.54 H new ATOM 0 HD2 LYS A 91 10.525 -14.598 -14.740 1.00 33.53 H new ATOM 0 HD3 LYS A 91 9.206 -14.377 -13.607 1.00 33.53 H new ATOM 0 HE2 LYS A 91 10.866 -13.352 -11.970 1.00 22.52 H new ATOM 0 HE3 LYS A 91 12.094 -13.455 -13.216 1.00 22.52 H new ATOM 0 HZ1 LYS A 91 11.382 -11.521 -13.947 1.00 60.33 H new ATOM 0 HZ2 LYS A 91 9.914 -12.244 -14.401 1.00 60.33 H new ATOM 0 HZ3 LYS A 91 10.068 -11.522 -12.872 1.00 60.33 H new ATOM 1477 N ILE A 92 10.882 -19.416 -16.004 1.00 1.31 N ATOM 1478 CA ILE A 92 10.902 -20.811 -16.415 1.00 23.20 C ATOM 1479 C ILE A 92 11.522 -21.613 -15.271 1.00 13.35 C ATOM 1480 O ILE A 92 12.739 -21.785 -15.217 1.00 2.33 O ATOM 1481 CB ILE A 92 11.685 -20.940 -17.739 1.00 52.01 C ATOM 1482 CG1 ILE A 92 11.200 -19.945 -18.814 1.00 60.32 C ATOM 1483 CG2 ILE A 92 11.633 -22.380 -18.269 1.00 73.31 C ATOM 1484 CD1 ILE A 92 9.695 -19.998 -19.092 1.00 44.11 C ATOM 0 H ILE A 92 11.698 -18.896 -16.328 1.00 1.31 H new ATOM 0 HA ILE A 92 9.903 -21.201 -16.608 1.00 23.20 H new ATOM 0 HB ILE A 92 12.721 -20.686 -17.516 1.00 52.01 H new ATOM 0 HG12 ILE A 92 11.464 -18.935 -18.502 1.00 60.32 H new ATOM 0 HG13 ILE A 92 11.736 -20.142 -19.742 1.00 60.32 H new ATOM 0 HG21 ILE A 92 12.192 -22.445 -19.203 1.00 73.31 H new ATOM 0 HG22 ILE A 92 12.074 -23.054 -17.535 1.00 73.31 H new ATOM 0 HG23 ILE A 92 10.596 -22.665 -18.447 1.00 73.31 H new ATOM 0 HD11 ILE A 92 9.441 -19.267 -19.859 1.00 44.11 H new ATOM 0 HD12 ILE A 92 9.424 -20.996 -19.437 1.00 44.11 H new ATOM 0 HD13 ILE A 92 9.148 -19.769 -18.178 1.00 44.11 H new ATOM 1496 N VAL A 93 10.682 -22.065 -14.330 1.00 65.45 N ATOM 1497 CA VAL A 93 11.142 -22.731 -13.121 1.00 61.21 C ATOM 1498 C VAL A 93 11.511 -24.168 -13.456 1.00 21.54 C ATOM 1499 O VAL A 93 10.668 -24.932 -13.919 1.00 14.13 O ATOM 1500 CB VAL A 93 10.081 -22.684 -12.015 1.00 12.51 C ATOM 1501 CG1 VAL A 93 10.629 -23.368 -10.752 1.00 60.34 C ATOM 1502 CG2 VAL A 93 9.708 -21.246 -11.672 1.00 23.23 C ATOM 0 H VAL A 93 9.668 -21.976 -14.393 1.00 65.45 H new ATOM 0 HA VAL A 93 12.020 -22.208 -12.743 1.00 61.21 H new ATOM 0 HB VAL A 93 9.192 -23.201 -12.375 1.00 12.51 H new ATOM 0 HG11 VAL A 93 9.876 -23.335 -9.965 1.00 60.34 H new ATOM 0 HG12 VAL A 93 10.874 -24.406 -10.977 1.00 60.34 H new ATOM 0 HG13 VAL A 93 11.527 -22.848 -10.417 1.00 60.34 H new ATOM 0 HG21 VAL A 93 8.954 -21.244 -10.885 1.00 23.23 H new ATOM 0 HG22 VAL A 93 10.594 -20.713 -11.327 1.00 23.23 H new ATOM 0 HG23 VAL A 93 9.309 -20.752 -12.558 1.00 23.23 H new ATOM 1512 N LYS A 94 12.775 -24.519 -13.209 1.00 55.44 N ATOM 1513 CA LYS A 94 13.335 -25.816 -13.532 1.00 25.54 C ATOM 1514 C LYS A 94 12.959 -26.809 -12.436 1.00 55.11 C ATOM 1515 O LYS A 94 13.538 -26.777 -11.351 1.00 12.55 O ATOM 1516 CB LYS A 94 14.857 -25.701 -13.692 1.00 71.22 C ATOM 1517 CG LYS A 94 15.222 -24.659 -14.757 1.00 52.02 C ATOM 1518 CD LYS A 94 16.725 -24.687 -15.045 1.00 45.41 C ATOM 1519 CE LYS A 94 17.096 -23.547 -15.998 1.00 53.02 C ATOM 1520 NZ LYS A 94 18.525 -23.582 -16.352 1.00 75.32 N ATOM 0 H LYS A 94 13.446 -23.889 -12.769 1.00 55.44 H new ATOM 0 HA LYS A 94 12.930 -26.177 -14.477 1.00 25.54 H new ATOM 0 HB2 LYS A 94 15.306 -25.424 -12.738 1.00 71.22 H new ATOM 0 HB3 LYS A 94 15.271 -26.670 -13.970 1.00 71.22 H new ATOM 0 HG2 LYS A 94 14.667 -24.858 -15.674 1.00 52.02 H new ATOM 0 HG3 LYS A 94 14.930 -23.666 -14.417 1.00 52.02 H new ATOM 0 HD2 LYS A 94 17.284 -24.591 -14.114 1.00 45.41 H new ATOM 0 HD3 LYS A 94 17.002 -25.645 -15.485 1.00 45.41 H new ATOM 0 HE2 LYS A 94 16.494 -23.618 -16.904 1.00 53.02 H new ATOM 0 HE3 LYS A 94 16.859 -22.590 -15.532 1.00 53.02 H new ATOM 0 HZ1 LYS A 94 18.742 -22.797 -16.998 1.00 75.32 H new ATOM 0 HZ2 LYS A 94 19.099 -23.489 -15.490 1.00 75.32 H new ATOM 0 HZ3 LYS A 94 18.745 -24.485 -16.819 1.00 75.32 H new ATOM 1534 N TRP A 95 11.989 -27.683 -12.733 1.00 73.13 N ATOM 1535 CA TRP A 95 11.570 -28.781 -11.875 1.00 61.15 C ATOM 1536 C TRP A 95 12.777 -29.570 -11.366 1.00 21.52 C ATOM 1537 O TRP A 95 13.486 -30.196 -12.154 1.00 21.12 O ATOM 1538 CB TRP A 95 10.660 -29.724 -12.667 1.00 71.44 C ATOM 1539 CG TRP A 95 10.316 -31.014 -11.982 1.00 62.41 C ATOM 1540 CD1 TRP A 95 9.885 -31.149 -10.709 1.00 20.32 C ATOM 1541 CD2 TRP A 95 10.415 -32.369 -12.506 1.00 24.33 C ATOM 1542 NE1 TRP A 95 9.686 -32.480 -10.413 1.00 12.42 N ATOM 1543 CE2 TRP A 95 9.986 -33.281 -11.498 1.00 40.01 C ATOM 1544 CE3 TRP A 95 10.853 -32.920 -13.727 1.00 45.13 C ATOM 1545 CZ2 TRP A 95 9.958 -34.669 -11.709 1.00 40.43 C ATOM 1546 CZ3 TRP A 95 10.813 -34.310 -13.955 1.00 45.15 C ATOM 1547 CH2 TRP A 95 10.354 -35.182 -12.955 1.00 12.00 C ATOM 0 H TRP A 95 11.463 -27.638 -13.605 1.00 73.13 H new ATOM 0 HA TRP A 95 11.037 -28.365 -11.020 1.00 61.15 H new ATOM 0 HB2 TRP A 95 9.734 -29.198 -12.899 1.00 71.44 H new ATOM 0 HB3 TRP A 95 11.143 -29.954 -13.617 1.00 71.44 H new ATOM 0 HD1 TRP A 95 9.720 -30.332 -10.022 1.00 20.32 H new ATOM 0 HE1 TRP A 95 9.360 -32.828 -9.511 1.00 12.42 H new ATOM 0 HE3 TRP A 95 11.226 -32.266 -14.501 1.00 45.13 H new ATOM 0 HZ2 TRP A 95 9.636 -35.335 -10.922 1.00 40.43 H new ATOM 0 HZ3 TRP A 95 11.138 -34.707 -14.905 1.00 45.15 H new ATOM 0 HH2 TRP A 95 10.306 -36.244 -13.143 1.00 12.00 H new ATOM 1558 N ASP A 96 12.976 -29.557 -10.045 1.00 44.22 N ATOM 1559 CA ASP A 96 14.007 -30.335 -9.381 1.00 13.03 C ATOM 1560 C ASP A 96 13.493 -31.750 -9.113 1.00 24.31 C ATOM 1561 O ASP A 96 13.081 -32.071 -8.001 1.00 51.44 O ATOM 1562 CB ASP A 96 14.482 -29.612 -8.116 1.00 35.11 C ATOM 1563 CG ASP A 96 15.187 -28.305 -8.473 1.00 33.23 C ATOM 1564 OD1 ASP A 96 16.288 -28.397 -9.061 1.00 14.41 O ATOM 1565 OD2 ASP A 96 14.610 -27.238 -8.169 1.00 23.34 O ATOM 0 H ASP A 96 12.414 -28.996 -9.405 1.00 44.22 H new ATOM 0 HA ASP A 96 14.880 -30.432 -10.026 1.00 13.03 H new ATOM 0 HB2 ASP A 96 13.630 -29.406 -7.467 1.00 35.11 H new ATOM 0 HB3 ASP A 96 15.161 -30.256 -7.556 1.00 35.11 H new ATOM 1570 N ARG A 97 13.549 -32.598 -10.150 1.00 14.41 N ATOM 1571 CA ARG A 97 13.216 -34.017 -10.090 1.00 45.25 C ATOM 1572 C ARG A 97 14.015 -34.796 -9.041 1.00 35.22 C ATOM 1573 O ARG A 97 13.571 -35.858 -8.609 1.00 21.22 O ATOM 1574 CB ARG A 97 13.352 -34.657 -11.481 1.00 20.23 C ATOM 1575 CG ARG A 97 14.771 -34.909 -12.016 1.00 72.43 C ATOM 1576 CD ARG A 97 15.511 -33.640 -12.461 1.00 64.42 C ATOM 1577 NE ARG A 97 16.296 -33.051 -11.370 1.00 15.01 N ATOM 1578 CZ ARG A 97 16.738 -31.783 -11.314 1.00 55.03 C ATOM 1579 NH1 ARG A 97 16.479 -30.908 -12.298 1.00 22.23 N ATOM 1580 NH2 ARG A 97 17.442 -31.376 -10.250 1.00 54.34 N ATOM 0 H ARG A 97 13.838 -32.299 -11.082 1.00 14.41 H new ATOM 0 HA ARG A 97 12.177 -34.076 -9.766 1.00 45.25 H new ATOM 0 HB2 ARG A 97 12.826 -35.611 -11.464 1.00 20.23 H new ATOM 0 HB3 ARG A 97 12.832 -34.019 -12.196 1.00 20.23 H new ATOM 0 HG2 ARG A 97 15.356 -35.405 -11.241 1.00 72.43 H new ATOM 0 HG3 ARG A 97 14.712 -35.596 -12.860 1.00 72.43 H new ATOM 0 HD2 ARG A 97 16.171 -33.879 -13.295 1.00 64.42 H new ATOM 0 HD3 ARG A 97 14.790 -32.908 -12.825 1.00 64.42 H new ATOM 0 HE ARG A 97 16.527 -33.658 -10.584 1.00 15.01 H new ATOM 0 HH11 ARG A 97 15.936 -31.200 -13.111 1.00 22.23 H new ATOM 0 HH12 ARG A 97 16.825 -29.951 -12.233 1.00 22.23 H new ATOM 0 HH21 ARG A 97 17.639 -32.027 -9.490 1.00 54.34 H new ATOM 0 HH22 ARG A 97 17.781 -30.415 -10.200 1.00 54.34 H new ATOM 1594 N ASP A 98 15.182 -34.280 -8.636 1.00 34.20 N ATOM 1595 CA ASP A 98 16.026 -34.893 -7.622 1.00 5.32 C ATOM 1596 C ASP A 98 15.415 -34.685 -6.237 1.00 13.42 C ATOM 1597 O ASP A 98 15.298 -35.641 -5.472 1.00 21.13 O ATOM 1598 CB ASP A 98 17.440 -34.298 -7.684 1.00 2.02 C ATOM 1599 CG ASP A 98 18.147 -34.560 -9.012 1.00 60.24 C ATOM 1600 OD1 ASP A 98 17.854 -35.601 -9.638 1.00 4.33 O ATOM 1601 OD2 ASP A 98 18.973 -33.700 -9.386 1.00 14.34 O ATOM 0 H ASP A 98 15.565 -33.413 -9.013 1.00 34.20 H new ATOM 0 HA ASP A 98 16.093 -35.964 -7.814 1.00 5.32 H new ATOM 0 HB2 ASP A 98 17.382 -33.222 -7.517 1.00 2.02 H new ATOM 0 HB3 ASP A 98 18.038 -34.714 -6.873 1.00 2.02 H new ATOM 1606 N MET A 99 15.038 -33.439 -5.917 1.00 23.33 N ATOM 1607 CA MET A 99 14.462 -33.080 -4.632 1.00 24.42 C ATOM 1608 C MET A 99 13.532 -31.879 -4.813 1.00 12.03 C ATOM 1609 O MET A 99 12.312 -32.122 -4.943 1.00 60.55 O ATOM 1610 CB MET A 99 15.594 -32.811 -3.627 1.00 63.42 C ATOM 1611 CG MET A 99 15.081 -32.561 -2.203 1.00 31.42 C ATOM 1612 SD MET A 99 14.065 -33.869 -1.458 1.00 63.31 S ATOM 1613 CE MET A 99 15.224 -35.261 -1.491 1.00 54.43 C ATOM 1614 OXT MET A 99 14.050 -30.741 -4.824 1.00 0.00 O ATOM 0 H MET A 99 15.129 -32.650 -6.557 1.00 23.33 H new ATOM 0 HA MET A 99 13.861 -33.897 -4.232 1.00 24.42 H new ATOM 0 HB2 MET A 99 16.275 -33.662 -3.618 1.00 63.42 H new ATOM 0 HB3 MET A 99 16.169 -31.946 -3.958 1.00 63.42 H new ATOM 0 HG2 MET A 99 15.942 -32.390 -1.557 1.00 31.42 H new ATOM 0 HG3 MET A 99 14.498 -31.640 -2.208 1.00 31.42 H new ATOM 0 HE1 MET A 99 14.785 -36.112 -0.970 1.00 54.43 H new ATOM 0 HE2 MET A 99 15.432 -35.537 -2.525 1.00 54.43 H new ATOM 0 HE3 MET A 99 16.153 -34.973 -0.998 1.00 54.43 H new TER 1624 MET A 99