USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= 0.593 K(o=1.5,f=-3.4) USER MOD Set 1.2: A 79 SER OG : rot -53:sc= 0.889 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 151:sc= 0 (180deg=-0.225) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 21 SER OG : rot 134:sc= 1.24 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 46 THR OG1 : rot -105:sc= -0.447 USER MOD Single : A 47 GLN : amide:sc= -0.314 K(o=-0.31,f=-2.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -7.34! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.271 K(o=0.27,f=-3.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.66 K(o=-4.7,f=-7.2!) USER MOD Single : A 77 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.054) USER MOD Single : A 80 THR OG1 : rot -124:sc= 0.104 USER MOD Single : A 84 GLN : amide:sc= -0.738 X(o=-0.74,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.289 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -2.99 K(o=-3,f=-3.6!) USER MOD Single : A 107 TYR OH : rot 165:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 59:sc= 0.0335 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.151 -4.119 -12.892 1.00 0.00 N ATOM 2 CA GLY A 1 -18.361 -5.293 -12.062 1.00 0.00 C ATOM 3 C GLY A 1 -18.647 -4.894 -10.612 1.00 0.00 C ATOM 4 O GLY A 1 -17.849 -5.175 -9.719 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.959 -4.415 -13.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.003 -3.523 -12.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.341 -3.578 -12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.195 -5.876 -12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.479 -5.932 -12.100 1.00 0.00 H new ATOM 8 N SER A 2 -19.787 -4.246 -10.424 1.00 0.00 N ATOM 9 CA SER A 2 -20.187 -3.806 -9.098 1.00 0.00 C ATOM 10 C SER A 2 -21.151 -4.820 -8.479 1.00 0.00 C ATOM 11 O SER A 2 -22.367 -4.654 -8.558 1.00 0.00 O ATOM 12 CB SER A 2 -20.835 -2.421 -9.150 1.00 0.00 C ATOM 13 OG SER A 2 -21.130 -1.920 -7.849 1.00 0.00 O ATOM 0 H SER A 2 -20.446 -4.015 -11.167 1.00 0.00 H new ATOM 0 HA SER A 2 -19.294 -3.737 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.168 -1.728 -9.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.753 -2.472 -9.735 1.00 0.00 H new ATOM 0 HG SER A 2 -21.541 -1.034 -7.925 1.00 0.00 H new ATOM 19 N SER A 3 -20.571 -5.848 -7.877 1.00 0.00 N ATOM 20 CA SER A 3 -21.363 -6.889 -7.244 1.00 0.00 C ATOM 21 C SER A 3 -21.550 -6.575 -5.759 1.00 0.00 C ATOM 22 O SER A 3 -20.737 -5.870 -5.163 1.00 0.00 O ATOM 23 CB SER A 3 -20.710 -8.261 -7.419 1.00 0.00 C ATOM 24 OG SER A 3 -21.653 -9.256 -7.807 1.00 0.00 O ATOM 0 H SER A 3 -19.562 -5.982 -7.814 1.00 0.00 H new ATOM 0 HA SER A 3 -22.339 -6.917 -7.728 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.923 -8.195 -8.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.234 -8.558 -6.484 1.00 0.00 H new ATOM 0 HG SER A 3 -21.196 -10.117 -7.910 1.00 0.00 H new ATOM 30 N GLY A 4 -22.627 -7.112 -5.204 1.00 0.00 N ATOM 31 CA GLY A 4 -22.930 -6.898 -3.799 1.00 0.00 C ATOM 32 C GLY A 4 -24.095 -7.782 -3.349 1.00 0.00 C ATOM 33 O GLY A 4 -25.132 -7.278 -2.921 1.00 0.00 O ATOM 0 H GLY A 4 -23.300 -7.695 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.049 -7.116 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.178 -5.850 -3.632 1.00 0.00 H new ATOM 37 N SER A 5 -23.886 -9.085 -3.462 1.00 0.00 N ATOM 38 CA SER A 5 -24.905 -10.044 -3.072 1.00 0.00 C ATOM 39 C SER A 5 -24.251 -11.291 -2.475 1.00 0.00 C ATOM 40 O SER A 5 -23.164 -11.687 -2.893 1.00 0.00 O ATOM 41 CB SER A 5 -25.786 -10.427 -4.264 1.00 0.00 C ATOM 42 OG SER A 5 -26.645 -9.360 -4.657 1.00 0.00 O ATOM 0 H SER A 5 -23.025 -9.500 -3.819 1.00 0.00 H new ATOM 0 HA SER A 5 -25.540 -9.579 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.154 -10.712 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.386 -11.299 -4.006 1.00 0.00 H new ATOM 0 HG SER A 5 -27.189 -9.643 -5.421 1.00 0.00 H new ATOM 48 N SER A 6 -24.940 -11.875 -1.506 1.00 0.00 N ATOM 49 CA SER A 6 -24.438 -13.069 -0.846 1.00 0.00 C ATOM 50 C SER A 6 -23.133 -12.753 -0.113 1.00 0.00 C ATOM 51 O SER A 6 -22.532 -11.703 -0.333 1.00 0.00 O ATOM 52 CB SER A 6 -24.222 -14.203 -1.850 1.00 0.00 C ATOM 53 OG SER A 6 -25.434 -14.581 -2.498 1.00 0.00 O ATOM 0 H SER A 6 -25.841 -11.544 -1.162 1.00 0.00 H new ATOM 0 HA SER A 6 -25.183 -13.398 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.493 -13.891 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.801 -15.067 -1.336 1.00 0.00 H new ATOM 0 HG SER A 6 -25.254 -15.306 -3.132 1.00 0.00 H new ATOM 59 N GLY A 7 -22.733 -13.682 0.743 1.00 0.00 N ATOM 60 CA GLY A 7 -21.510 -13.516 1.510 1.00 0.00 C ATOM 61 C GLY A 7 -20.672 -14.796 1.491 1.00 0.00 C ATOM 62 O GLY A 7 -21.084 -15.802 0.916 1.00 0.00 O ATOM 0 H GLY A 7 -23.234 -14.552 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.929 -12.690 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.755 -13.253 2.539 1.00 0.00 H new ATOM 66 N MET A 8 -19.513 -14.716 2.127 1.00 0.00 N ATOM 67 CA MET A 8 -18.614 -15.856 2.191 1.00 0.00 C ATOM 68 C MET A 8 -19.394 -17.159 2.380 1.00 0.00 C ATOM 69 O MET A 8 -20.167 -17.292 3.328 1.00 0.00 O ATOM 70 CB MET A 8 -17.637 -15.672 3.354 1.00 0.00 C ATOM 71 CG MET A 8 -16.325 -16.413 3.090 1.00 0.00 C ATOM 72 SD MET A 8 -15.755 -17.197 4.589 1.00 0.00 S ATOM 73 CE MET A 8 -14.466 -18.237 3.924 1.00 0.00 C ATOM 0 H MET A 8 -19.175 -13.879 2.603 1.00 0.00 H new ATOM 0 HA MET A 8 -18.066 -15.916 1.251 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.436 -14.611 3.501 1.00 0.00 H new ATOM 0 HB3 MET A 8 -18.088 -16.041 4.275 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.471 -17.161 2.311 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.571 -15.716 2.725 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.696 -18.391 4.680 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.888 -19.200 3.635 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.026 -17.757 3.050 1.00 0.00 H new ATOM 83 N SER A 9 -19.163 -18.087 1.464 1.00 0.00 N ATOM 84 CA SER A 9 -19.834 -19.375 1.518 1.00 0.00 C ATOM 85 C SER A 9 -18.862 -20.452 2.004 1.00 0.00 C ATOM 86 O SER A 9 -19.086 -21.071 3.043 1.00 0.00 O ATOM 87 CB SER A 9 -20.407 -19.756 0.151 1.00 0.00 C ATOM 88 OG SER A 9 -21.537 -20.616 0.267 1.00 0.00 O ATOM 0 H SER A 9 -18.521 -17.973 0.680 1.00 0.00 H new ATOM 0 HA SER A 9 -20.663 -19.299 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 9 -20.693 -18.852 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.636 -20.249 -0.441 1.00 0.00 H new ATOM 0 HG SER A 9 -21.875 -20.835 -0.627 1.00 0.00 H new ATOM 94 N GLN A 10 -17.804 -20.641 1.230 1.00 0.00 N ATOM 95 CA GLN A 10 -16.797 -21.632 1.569 1.00 0.00 C ATOM 96 C GLN A 10 -15.643 -21.581 0.566 1.00 0.00 C ATOM 97 O GLN A 10 -15.714 -22.192 -0.500 1.00 0.00 O ATOM 98 CB GLN A 10 -17.406 -23.034 1.632 1.00 0.00 C ATOM 99 CG GLN A 10 -16.346 -24.078 1.989 1.00 0.00 C ATOM 100 CD GLN A 10 -16.960 -25.238 2.775 1.00 0.00 C ATOM 101 OE1 GLN A 10 -17.678 -26.070 2.245 1.00 0.00 O ATOM 102 NE2 GLN A 10 -16.640 -25.246 4.066 1.00 0.00 N ATOM 0 H GLN A 10 -17.622 -20.125 0.369 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.404 -21.397 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.205 -23.054 2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.856 -23.282 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -15.882 -24.457 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.556 -23.612 2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.034 -24.519 4.446 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.001 -25.979 4.676 1.00 0.00 H new ATOM 111 N LEU A 11 -14.606 -20.846 0.942 1.00 0.00 N ATOM 112 CA LEU A 11 -13.438 -20.707 0.088 1.00 0.00 C ATOM 113 C LEU A 11 -13.842 -20.006 -1.211 1.00 0.00 C ATOM 114 O LEU A 11 -14.920 -20.258 -1.747 1.00 0.00 O ATOM 115 CB LEU A 11 -12.768 -22.065 -0.129 1.00 0.00 C ATOM 116 CG LEU A 11 -11.867 -22.557 1.006 1.00 0.00 C ATOM 117 CD1 LEU A 11 -11.649 -24.069 0.916 1.00 0.00 C ATOM 118 CD2 LEU A 11 -10.545 -21.788 1.029 1.00 0.00 C ATOM 0 H LEU A 11 -14.550 -20.341 1.826 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.687 -20.080 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.546 -22.809 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.174 -22.013 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.371 -22.360 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.005 -24.393 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.609 -24.580 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.177 -24.312 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.923 -22.157 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.024 -21.931 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.744 -20.726 1.176 1.00 0.00 H new ATOM 130 N GLY A 12 -12.955 -19.140 -1.678 1.00 0.00 N ATOM 131 CA GLY A 12 -13.206 -18.401 -2.904 1.00 0.00 C ATOM 132 C GLY A 12 -12.566 -17.012 -2.847 1.00 0.00 C ATOM 133 O GLY A 12 -11.421 -16.869 -2.420 1.00 0.00 O ATOM 0 H GLY A 12 -12.062 -18.933 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.808 -18.954 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.280 -18.304 -3.061 1.00 0.00 H new ATOM 137 N SER A 13 -13.332 -16.024 -3.285 1.00 0.00 N ATOM 138 CA SER A 13 -12.854 -14.652 -3.289 1.00 0.00 C ATOM 139 C SER A 13 -11.591 -14.541 -4.145 1.00 0.00 C ATOM 140 O SER A 13 -11.051 -15.550 -4.596 1.00 0.00 O ATOM 141 CB SER A 13 -12.577 -14.160 -1.867 1.00 0.00 C ATOM 142 OG SER A 13 -13.766 -13.727 -1.211 1.00 0.00 O ATOM 0 H SER A 13 -14.280 -16.146 -3.640 1.00 0.00 H new ATOM 0 HA SER A 13 -13.632 -14.020 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.116 -14.961 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.862 -13.338 -1.901 1.00 0.00 H new ATOM 0 HG SER A 13 -13.548 -13.422 -0.306 1.00 0.00 H new ATOM 148 N ARG A 14 -11.155 -13.305 -4.342 1.00 0.00 N ATOM 149 CA ARG A 14 -9.965 -13.049 -5.136 1.00 0.00 C ATOM 150 C ARG A 14 -8.883 -12.396 -4.274 1.00 0.00 C ATOM 151 O ARG A 14 -9.130 -12.045 -3.121 1.00 0.00 O ATOM 152 CB ARG A 14 -10.280 -12.137 -6.323 1.00 0.00 C ATOM 153 CG ARG A 14 -11.089 -12.883 -7.387 1.00 0.00 C ATOM 154 CD ARG A 14 -12.189 -11.990 -7.965 1.00 0.00 C ATOM 155 NE ARG A 14 -12.369 -12.278 -9.406 1.00 0.00 N ATOM 156 CZ ARG A 14 -12.886 -13.417 -9.885 1.00 0.00 C ATOM 157 NH1 ARG A 14 -13.276 -14.383 -9.042 1.00 0.00 N ATOM 158 NH2 ARG A 14 -13.012 -13.591 -11.208 1.00 0.00 N ATOM 0 H ARG A 14 -11.604 -12.470 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.606 -14.007 -5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.839 -11.267 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.352 -11.768 -6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.427 -13.214 -8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.534 -13.777 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.124 -12.160 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.928 -10.941 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 14 -12.081 -11.565 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.179 -14.251 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.670 -15.250 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.714 -12.856 -11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.406 -14.458 -11.573 1.00 0.00 H new ATOM 172 N GLY A 15 -7.706 -12.253 -4.865 1.00 0.00 N ATOM 173 CA GLY A 15 -6.585 -11.648 -4.166 1.00 0.00 C ATOM 174 C GLY A 15 -6.983 -10.304 -3.552 1.00 0.00 C ATOM 175 O GLY A 15 -8.034 -9.755 -3.879 1.00 0.00 O ATOM 0 H GLY A 15 -7.504 -12.546 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.235 -12.320 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.755 -11.504 -4.858 1.00 0.00 H new ATOM 179 N ARG A 16 -6.121 -9.813 -2.674 1.00 0.00 N ATOM 180 CA ARG A 16 -6.369 -8.543 -2.012 1.00 0.00 C ATOM 181 C ARG A 16 -5.047 -7.832 -1.715 1.00 0.00 C ATOM 182 O ARG A 16 -4.140 -8.420 -1.128 1.00 0.00 O ATOM 183 CB ARG A 16 -7.136 -8.745 -0.704 1.00 0.00 C ATOM 184 CG ARG A 16 -8.467 -9.456 -0.953 1.00 0.00 C ATOM 185 CD ARG A 16 -9.455 -8.535 -1.673 1.00 0.00 C ATOM 186 NE ARG A 16 -10.726 -9.250 -1.921 1.00 0.00 N ATOM 187 CZ ARG A 16 -11.754 -8.738 -2.612 1.00 0.00 C ATOM 188 NH1 ARG A 16 -11.666 -7.504 -3.127 1.00 0.00 N ATOM 189 NH2 ARG A 16 -12.869 -9.460 -2.788 1.00 0.00 N ATOM 0 H ARG A 16 -5.250 -10.271 -2.405 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.972 -7.931 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.532 -9.330 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.318 -7.779 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.298 -10.352 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.893 -9.781 -0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.640 -7.645 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.028 -8.197 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.826 -10.192 -1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.817 -6.955 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.448 -7.114 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.935 -10.399 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.651 -9.070 -3.314 1.00 0.00 H new ATOM 203 N LEU A 17 -4.979 -6.577 -2.135 1.00 0.00 N ATOM 204 CA LEU A 17 -3.784 -5.780 -1.921 1.00 0.00 C ATOM 205 C LEU A 17 -3.815 -5.189 -0.510 1.00 0.00 C ATOM 206 O LEU A 17 -4.877 -4.823 -0.010 1.00 0.00 O ATOM 207 CB LEU A 17 -3.636 -4.730 -3.024 1.00 0.00 C ATOM 208 CG LEU A 17 -3.356 -5.268 -4.429 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.116 -4.464 -5.485 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.852 -5.308 -4.711 1.00 0.00 C ATOM 0 H LEU A 17 -5.733 -6.093 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.893 -6.405 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.550 -4.137 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.827 -4.053 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.721 -6.294 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.900 -4.867 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.187 -4.531 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.804 -3.420 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.680 -5.694 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.440 -4.302 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.363 -5.957 -3.985 1.00 0.00 H new ATOM 222 N TRP A 18 -2.637 -5.115 0.092 1.00 0.00 N ATOM 223 CA TRP A 18 -2.516 -4.576 1.436 1.00 0.00 C ATOM 224 C TRP A 18 -1.035 -4.296 1.701 1.00 0.00 C ATOM 225 O TRP A 18 -0.168 -4.786 0.980 1.00 0.00 O ATOM 226 CB TRP A 18 -3.140 -5.520 2.464 1.00 0.00 C ATOM 227 CG TRP A 18 -2.763 -6.990 2.268 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.395 -7.912 1.528 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.636 -7.675 2.855 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.759 -9.135 1.594 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.656 -8.987 2.426 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.633 -7.201 3.718 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.698 -9.933 2.809 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.317 -8.159 4.092 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.311 -9.483 3.669 1.00 0.00 C ATOM 0 H TRP A 18 -1.758 -5.419 -0.326 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.069 -3.641 1.528 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.834 -5.207 3.462 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.225 -5.425 2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.289 -7.722 0.953 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.046 -9.991 1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.598 -6.179 4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.735 -10.954 2.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.110 -7.847 4.756 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.082 -10.162 4.002 1.00 0.00 H new ATOM 246 N LEU A 19 -0.791 -3.510 2.739 1.00 0.00 N ATOM 247 CA LEU A 19 0.570 -3.159 3.109 1.00 0.00 C ATOM 248 C LEU A 19 1.028 -4.058 4.260 1.00 0.00 C ATOM 249 O LEU A 19 0.231 -4.426 5.121 1.00 0.00 O ATOM 250 CB LEU A 19 0.673 -1.665 3.418 1.00 0.00 C ATOM 251 CG LEU A 19 0.052 -0.722 2.385 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.244 -1.261 0.966 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.420 -0.453 2.702 1.00 0.00 C ATOM 0 H LEU A 19 -1.513 -3.106 3.336 1.00 0.00 H new ATOM 0 HA LEU A 19 1.249 -3.336 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.198 -1.480 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.727 -1.409 3.528 1.00 0.00 H new ATOM 0 HG LEU A 19 0.572 0.234 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.206 -0.572 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.309 -1.358 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.234 -2.237 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.837 0.220 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.972 -1.393 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.502 0.006 3.687 1.00 0.00 H new ATOM 265 N GLN A 20 2.312 -4.386 4.237 1.00 0.00 N ATOM 266 CA GLN A 20 2.886 -5.234 5.267 1.00 0.00 C ATOM 267 C GLN A 20 3.956 -4.470 6.049 1.00 0.00 C ATOM 268 O GLN A 20 5.073 -4.289 5.566 1.00 0.00 O ATOM 269 CB GLN A 20 3.460 -6.518 4.663 1.00 0.00 C ATOM 270 CG GLN A 20 3.713 -7.568 5.747 1.00 0.00 C ATOM 271 CD GLN A 20 4.534 -8.736 5.197 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.676 -8.590 4.794 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.890 -9.900 5.203 1.00 0.00 N ATOM 0 H GLN A 20 2.971 -4.079 3.521 1.00 0.00 H new ATOM 0 HA GLN A 20 2.093 -5.519 5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.768 -6.916 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.392 -6.295 4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.240 -7.111 6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.762 -7.936 6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.934 -9.952 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.352 -10.740 4.856 1.00 0.00 H new ATOM 282 N SER A 21 3.577 -4.041 7.244 1.00 0.00 N ATOM 283 CA SER A 21 4.490 -3.300 8.097 1.00 0.00 C ATOM 284 C SER A 21 5.478 -4.259 8.764 1.00 0.00 C ATOM 285 O SER A 21 5.139 -5.408 9.046 1.00 0.00 O ATOM 286 CB SER A 21 3.729 -2.501 9.156 1.00 0.00 C ATOM 287 OG SER A 21 2.408 -2.999 9.353 1.00 0.00 O ATOM 0 H SER A 21 2.650 -4.193 7.641 1.00 0.00 H new ATOM 0 HA SER A 21 5.041 -2.594 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.275 -2.537 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.681 -1.454 8.855 1.00 0.00 H new ATOM 0 HG SER A 21 2.227 -3.075 10.313 1.00 0.00 H new ATOM 293 N PRO A 22 6.712 -3.739 9.003 1.00 0.00 N ATOM 294 CA PRO A 22 7.751 -4.537 9.632 1.00 0.00 C ATOM 295 C PRO A 22 7.489 -4.695 11.131 1.00 0.00 C ATOM 296 O PRO A 22 6.600 -4.047 11.682 1.00 0.00 O ATOM 297 CB PRO A 22 9.047 -3.803 9.330 1.00 0.00 C ATOM 298 CG PRO A 22 8.645 -2.388 8.947 1.00 0.00 C ATOM 299 CD PRO A 22 7.149 -2.384 8.683 1.00 0.00 C ATOM 0 HA PRO A 22 7.788 -5.557 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.706 -3.800 10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.591 -4.288 8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.893 -1.691 9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.190 -2.063 8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.639 -1.647 9.304 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.931 -2.132 7.645 1.00 0.00 H new ATOM 307 N THR A 23 8.279 -5.561 11.749 1.00 0.00 N ATOM 308 CA THR A 23 8.143 -5.813 13.174 1.00 0.00 C ATOM 309 C THR A 23 7.836 -4.513 13.918 1.00 0.00 C ATOM 310 O THR A 23 8.191 -3.430 13.456 1.00 0.00 O ATOM 311 CB THR A 23 9.422 -6.502 13.656 1.00 0.00 C ATOM 312 OG1 THR A 23 9.365 -7.795 13.060 1.00 0.00 O ATOM 313 CG2 THR A 23 9.404 -6.783 15.159 1.00 0.00 C ATOM 0 H THR A 23 9.015 -6.097 11.289 1.00 0.00 H new ATOM 0 HA THR A 23 7.302 -6.475 13.381 1.00 0.00 H new ATOM 0 HB THR A 23 10.283 -5.880 13.414 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.158 -8.310 13.319 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.334 -7.272 15.449 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.303 -5.844 15.703 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.562 -7.433 15.398 1.00 0.00 H new ATOM 321 N GLY A 24 7.180 -4.662 15.059 1.00 0.00 N ATOM 322 CA GLY A 24 6.821 -3.513 15.873 1.00 0.00 C ATOM 323 C GLY A 24 6.102 -2.452 15.036 1.00 0.00 C ATOM 324 O GLY A 24 6.582 -1.326 14.911 1.00 0.00 O ATOM 0 H GLY A 24 6.887 -5.562 15.440 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.178 -3.831 16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.718 -3.084 16.318 1.00 0.00 H new ATOM 328 N GLY A 25 4.965 -2.849 14.485 1.00 0.00 N ATOM 329 CA GLY A 25 4.176 -1.947 13.664 1.00 0.00 C ATOM 330 C GLY A 25 2.699 -2.347 13.672 1.00 0.00 C ATOM 331 O GLY A 25 2.316 -3.304 14.343 1.00 0.00 O ATOM 0 H GLY A 25 4.571 -3.784 14.591 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.282 -0.927 14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.553 -1.957 12.641 1.00 0.00 H new ATOM 335 N PRO A 26 1.890 -1.575 12.899 1.00 0.00 N ATOM 336 CA PRO A 26 0.464 -1.839 12.811 1.00 0.00 C ATOM 337 C PRO A 26 0.186 -3.064 11.938 1.00 0.00 C ATOM 338 O PRO A 26 1.096 -3.602 11.309 1.00 0.00 O ATOM 339 CB PRO A 26 -0.139 -0.561 12.251 1.00 0.00 C ATOM 340 CG PRO A 26 1.013 0.198 11.612 1.00 0.00 C ATOM 341 CD PRO A 26 2.310 -0.433 12.091 1.00 0.00 C ATOM 0 HA PRO A 26 0.021 -2.083 13.777 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.914 -0.783 11.518 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.606 0.029 13.040 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.945 0.151 10.525 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.976 1.252 11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.931 -0.748 11.252 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.900 0.271 12.677 1.00 0.00 H new ATOM 349 N PRO A 27 -1.108 -3.481 11.928 1.00 0.00 N ATOM 350 CA PRO A 27 -1.517 -4.633 11.142 1.00 0.00 C ATOM 351 C PRO A 27 -1.581 -4.287 9.653 1.00 0.00 C ATOM 352 O PRO A 27 -1.427 -3.127 9.275 1.00 0.00 O ATOM 353 CB PRO A 27 -2.865 -5.041 11.715 1.00 0.00 C ATOM 354 CG PRO A 27 -3.375 -3.832 12.483 1.00 0.00 C ATOM 355 CD PRO A 27 -2.213 -2.869 12.660 1.00 0.00 C ATOM 0 HA PRO A 27 -0.806 -5.457 11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.558 -5.320 10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.765 -5.906 12.370 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.190 -3.352 11.941 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.771 -4.135 13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.453 -1.883 12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.965 -2.737 13.713 1.00 0.00 H new ATOM 363 N PRO A 28 -1.813 -5.342 8.827 1.00 0.00 N ATOM 364 CA PRO A 28 -1.898 -5.161 7.388 1.00 0.00 C ATOM 365 C PRO A 28 -3.229 -4.516 6.995 1.00 0.00 C ATOM 366 O PRO A 28 -4.292 -5.097 7.207 1.00 0.00 O ATOM 367 CB PRO A 28 -1.719 -6.554 6.805 1.00 0.00 C ATOM 368 CG PRO A 28 -2.004 -7.521 7.942 1.00 0.00 C ATOM 369 CD PRO A 28 -2.000 -6.730 9.240 1.00 0.00 C ATOM 0 HA PRO A 28 -1.137 -4.482 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.402 -6.719 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.708 -6.690 6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.968 -8.009 7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.250 -8.307 7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.935 -6.859 9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.198 -7.058 9.901 1.00 0.00 H new ATOM 377 N ILE A 29 -3.126 -3.323 6.428 1.00 0.00 N ATOM 378 CA ILE A 29 -4.308 -2.592 6.003 1.00 0.00 C ATOM 379 C ILE A 29 -4.766 -3.119 4.642 1.00 0.00 C ATOM 380 O ILE A 29 -3.949 -3.331 3.747 1.00 0.00 O ATOM 381 CB ILE A 29 -4.041 -1.085 6.020 1.00 0.00 C ATOM 382 CG1 ILE A 29 -3.861 -0.577 7.452 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.141 -0.325 5.276 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.459 0.000 7.658 1.00 0.00 C ATOM 0 H ILE A 29 -2.242 -2.844 6.253 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.128 -2.755 6.702 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.106 -0.897 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.608 0.187 7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.029 -1.393 8.155 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.927 0.743 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.179 -0.661 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.102 -0.515 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.358 0.354 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.715 -0.774 7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.303 0.832 6.971 1.00 0.00 H new ATOM 396 N PHE A 30 -6.071 -3.316 4.528 1.00 0.00 N ATOM 397 CA PHE A 30 -6.648 -3.815 3.291 1.00 0.00 C ATOM 398 C PHE A 30 -7.242 -2.673 2.464 1.00 0.00 C ATOM 399 O PHE A 30 -8.333 -2.188 2.762 1.00 0.00 O ATOM 400 CB PHE A 30 -7.766 -4.784 3.678 1.00 0.00 C ATOM 401 CG PHE A 30 -7.268 -6.134 4.197 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.846 -6.254 5.485 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.247 -7.215 3.372 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.383 -7.507 5.967 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.784 -8.468 3.854 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.362 -8.587 5.141 1.00 0.00 C ATOM 0 H PHE A 30 -6.746 -3.139 5.272 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.879 -4.301 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.387 -4.319 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.403 -4.953 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.863 -5.396 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.583 -7.120 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.048 -7.602 6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.767 -9.326 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.010 -9.540 5.508 1.00 0.00 H new ATOM 416 N LEU A 31 -6.499 -2.277 1.442 1.00 0.00 N ATOM 417 CA LEU A 31 -6.939 -1.201 0.569 1.00 0.00 C ATOM 418 C LEU A 31 -8.255 -1.600 -0.101 1.00 0.00 C ATOM 419 O LEU A 31 -8.590 -2.782 -0.165 1.00 0.00 O ATOM 420 CB LEU A 31 -5.833 -0.828 -0.420 1.00 0.00 C ATOM 421 CG LEU A 31 -4.400 -0.933 0.105 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.433 -0.137 -0.775 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.320 -0.508 1.572 1.00 0.00 C ATOM 0 H LEU A 31 -5.595 -2.681 1.198 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.136 -0.298 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.925 -1.469 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.002 0.196 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.095 -1.978 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.421 -0.229 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.461 -0.527 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.726 0.913 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.290 -0.592 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.653 0.525 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.960 -1.154 2.173 1.00 0.00 H new ATOM 435 N PRO A 32 -8.984 -0.564 -0.598 1.00 0.00 N ATOM 436 CA PRO A 32 -10.256 -0.795 -1.261 1.00 0.00 C ATOM 437 C PRO A 32 -10.046 -1.366 -2.665 1.00 0.00 C ATOM 438 O PRO A 32 -8.945 -1.298 -3.209 1.00 0.00 O ATOM 439 CB PRO A 32 -10.947 0.558 -1.267 1.00 0.00 C ATOM 440 CG PRO A 32 -9.853 1.587 -1.029 1.00 0.00 C ATOM 441 CD PRO A 32 -8.618 0.848 -0.541 1.00 0.00 C ATOM 0 HA PRO A 32 -10.869 -1.538 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.450 0.735 -2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.709 0.611 -0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.634 2.131 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.174 2.322 -0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.755 1.059 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.352 1.148 0.473 1.00 0.00 H new ATOM 449 N SER A 33 -11.121 -1.916 -3.212 1.00 0.00 N ATOM 450 CA SER A 33 -11.068 -2.498 -4.542 1.00 0.00 C ATOM 451 C SER A 33 -11.871 -1.639 -5.521 1.00 0.00 C ATOM 452 O SER A 33 -11.483 -1.484 -6.678 1.00 0.00 O ATOM 453 CB SER A 33 -11.600 -3.933 -4.536 1.00 0.00 C ATOM 454 OG SER A 33 -12.767 -4.067 -3.729 1.00 0.00 O ATOM 0 H SER A 33 -12.033 -1.971 -2.758 1.00 0.00 H new ATOM 0 HA SER A 33 -10.027 -2.526 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.828 -4.239 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.825 -4.605 -4.167 1.00 0.00 H new ATOM 0 HG SER A 33 -13.076 -4.997 -3.753 1.00 0.00 H new ATOM 460 N ASP A 34 -12.974 -1.102 -5.021 1.00 0.00 N ATOM 461 CA ASP A 34 -13.834 -0.262 -5.838 1.00 0.00 C ATOM 462 C ASP A 34 -12.970 0.666 -6.693 1.00 0.00 C ATOM 463 O ASP A 34 -13.366 1.052 -7.792 1.00 0.00 O ATOM 464 CB ASP A 34 -14.742 0.607 -4.967 1.00 0.00 C ATOM 465 CG ASP A 34 -16.048 -0.058 -4.528 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.185 -1.271 -4.798 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.880 0.661 -3.934 1.00 0.00 O ATOM 0 H ASP A 34 -13.292 -1.232 -4.061 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.447 -0.913 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.188 0.907 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.982 1.518 -5.515 1.00 0.00 H new ATOM 472 N GLY A 35 -11.804 0.998 -6.157 1.00 0.00 N ATOM 473 CA GLY A 35 -10.880 1.874 -6.858 1.00 0.00 C ATOM 474 C GLY A 35 -10.618 3.149 -6.055 1.00 0.00 C ATOM 475 O GLY A 35 -9.937 4.057 -6.529 1.00 0.00 O ATOM 0 H GLY A 35 -11.478 0.676 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.940 1.351 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.289 2.133 -7.835 1.00 0.00 H new ATOM 479 N GLN A 36 -11.172 3.177 -4.852 1.00 0.00 N ATOM 480 CA GLN A 36 -11.007 4.326 -3.978 1.00 0.00 C ATOM 481 C GLN A 36 -9.529 4.523 -3.634 1.00 0.00 C ATOM 482 O GLN A 36 -8.715 3.625 -3.842 1.00 0.00 O ATOM 483 CB GLN A 36 -11.850 4.177 -2.710 1.00 0.00 C ATOM 484 CG GLN A 36 -13.289 4.639 -2.951 1.00 0.00 C ATOM 485 CD GLN A 36 -14.218 4.137 -1.844 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.322 4.715 -0.775 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.887 3.031 -2.159 1.00 0.00 N ATOM 0 H GLN A 36 -11.736 2.422 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.359 5.212 -4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.848 3.136 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.407 4.761 -1.904 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.323 5.728 -2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.636 4.271 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.754 2.597 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.533 2.617 -1.487 1.00 0.00 H new ATOM 496 N ALA A 37 -9.228 5.703 -3.112 1.00 0.00 N ATOM 497 CA ALA A 37 -7.862 6.029 -2.737 1.00 0.00 C ATOM 498 C ALA A 37 -7.760 6.097 -1.212 1.00 0.00 C ATOM 499 O ALA A 37 -8.411 6.926 -0.579 1.00 0.00 O ATOM 500 CB ALA A 37 -7.447 7.339 -3.409 1.00 0.00 C ATOM 0 H ALA A 37 -9.906 6.445 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.174 5.256 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.423 7.584 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.510 7.228 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.113 8.140 -3.087 1.00 0.00 H new ATOM 506 N LEU A 38 -6.936 5.214 -0.666 1.00 0.00 N ATOM 507 CA LEU A 38 -6.740 5.164 0.773 1.00 0.00 C ATOM 508 C LEU A 38 -5.564 6.066 1.154 1.00 0.00 C ATOM 509 O LEU A 38 -4.407 5.710 0.935 1.00 0.00 O ATOM 510 CB LEU A 38 -6.582 3.716 1.241 1.00 0.00 C ATOM 511 CG LEU A 38 -6.724 3.479 2.746 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.055 4.028 3.264 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.543 1.999 3.088 1.00 0.00 C ATOM 0 H LEU A 38 -6.397 4.528 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.618 5.548 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.323 3.105 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.601 3.359 0.928 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.930 4.026 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.131 3.847 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.106 5.100 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.878 3.529 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.649 1.859 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.300 1.410 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.551 1.672 2.775 1.00 0.00 H new ATOM 525 N VAL A 39 -5.901 7.216 1.719 1.00 0.00 N ATOM 526 CA VAL A 39 -4.888 8.172 2.133 1.00 0.00 C ATOM 527 C VAL A 39 -4.160 7.634 3.367 1.00 0.00 C ATOM 528 O VAL A 39 -4.755 6.940 4.189 1.00 0.00 O ATOM 529 CB VAL A 39 -5.526 9.543 2.365 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.006 10.178 3.657 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.292 10.466 1.168 1.00 0.00 C ATOM 0 H VAL A 39 -6.862 7.507 1.900 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.143 8.304 1.348 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.601 9.399 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.475 11.152 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.247 9.533 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.925 10.302 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.756 11.434 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.221 10.600 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.732 10.022 0.275 1.00 0.00 H new ATOM 541 N LEU A 40 -2.883 7.976 3.457 1.00 0.00 N ATOM 542 CA LEU A 40 -2.068 7.536 4.576 1.00 0.00 C ATOM 543 C LEU A 40 -1.377 8.748 5.206 1.00 0.00 C ATOM 544 O LEU A 40 -1.466 9.858 4.684 1.00 0.00 O ATOM 545 CB LEU A 40 -1.100 6.437 4.135 1.00 0.00 C ATOM 546 CG LEU A 40 -1.711 5.050 3.924 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.620 3.986 3.785 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.702 4.712 5.040 1.00 0.00 C ATOM 0 H LEU A 40 -2.393 8.553 2.773 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.692 7.087 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.627 6.749 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.310 6.355 4.882 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.271 5.062 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.081 3.010 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.013 4.223 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.013 3.966 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.122 3.721 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.187 4.724 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.505 5.449 5.050 1.00 0.00 H new ATOM 560 N GLY A 41 -0.704 8.494 6.318 1.00 0.00 N ATOM 561 CA GLY A 41 0.001 9.550 7.024 1.00 0.00 C ATOM 562 C GLY A 41 0.021 9.284 8.530 1.00 0.00 C ATOM 563 O GLY A 41 0.009 8.132 8.962 1.00 0.00 O ATOM 0 H GLY A 41 -0.632 7.572 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.022 9.623 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.480 10.508 6.827 1.00 0.00 H new ATOM 567 N ARG A 42 0.051 10.369 9.290 1.00 0.00 N ATOM 568 CA ARG A 42 0.072 10.268 10.739 1.00 0.00 C ATOM 569 C ARG A 42 -1.211 9.604 11.244 1.00 0.00 C ATOM 570 O ARG A 42 -2.301 9.904 10.760 1.00 0.00 O ATOM 571 CB ARG A 42 0.213 11.648 11.386 1.00 0.00 C ATOM 572 CG ARG A 42 1.561 11.786 12.095 1.00 0.00 C ATOM 573 CD ARG A 42 1.541 12.948 13.091 1.00 0.00 C ATOM 574 NE ARG A 42 0.547 12.684 14.155 1.00 0.00 N ATOM 575 CZ ARG A 42 0.510 13.335 15.326 1.00 0.00 C ATOM 576 NH1 ARG A 42 1.410 14.292 15.590 1.00 0.00 N ATOM 577 NH2 ARG A 42 -0.428 13.030 16.233 1.00 0.00 N ATOM 0 H ARG A 42 0.061 11.323 8.929 1.00 0.00 H new ATOM 0 HA ARG A 42 0.933 9.660 11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.118 12.422 10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.595 11.803 12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.798 10.859 12.617 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.348 11.947 11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.530 13.079 13.530 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.296 13.876 12.575 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.153 11.962 13.987 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.124 14.525 14.900 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.381 14.787 16.481 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.114 12.302 16.032 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.456 13.526 17.124 1.00 0.00 H new ATOM 591 N GLY A 43 -1.038 8.714 12.210 1.00 0.00 N ATOM 592 CA GLY A 43 -2.168 8.006 12.786 1.00 0.00 C ATOM 593 C GLY A 43 -1.799 6.557 13.111 1.00 0.00 C ATOM 594 O GLY A 43 -0.648 6.154 12.947 1.00 0.00 O ATOM 0 H GLY A 43 -0.132 8.467 12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.496 8.514 13.693 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.006 8.024 12.090 1.00 0.00 H new ATOM 598 N PRO A 44 -2.824 5.793 13.576 1.00 0.00 N ATOM 599 CA PRO A 44 -2.618 4.398 13.925 1.00 0.00 C ATOM 600 C PRO A 44 -2.497 3.531 12.671 1.00 0.00 C ATOM 601 O PRO A 44 -2.078 2.377 12.747 1.00 0.00 O ATOM 602 CB PRO A 44 -3.813 4.029 14.789 1.00 0.00 C ATOM 603 CG PRO A 44 -4.871 5.084 14.510 1.00 0.00 C ATOM 604 CD PRO A 44 -4.199 6.237 13.782 1.00 0.00 C ATOM 0 HA PRO A 44 -1.686 4.233 14.465 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.180 3.033 14.542 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.543 4.017 15.845 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.675 4.667 13.904 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.320 5.430 15.441 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.693 6.449 12.834 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.235 7.153 14.372 1.00 0.00 H new ATOM 612 N LEU A 45 -2.872 4.120 11.545 1.00 0.00 N ATOM 613 CA LEU A 45 -2.811 3.416 10.275 1.00 0.00 C ATOM 614 C LEU A 45 -1.404 2.845 10.081 1.00 0.00 C ATOM 615 O LEU A 45 -1.239 1.639 9.904 1.00 0.00 O ATOM 616 CB LEU A 45 -3.267 4.327 9.134 1.00 0.00 C ATOM 617 CG LEU A 45 -4.699 4.858 9.232 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.328 4.995 7.844 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.545 3.985 10.161 1.00 0.00 C ATOM 0 H LEU A 45 -3.219 5.077 11.486 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.502 2.573 10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.588 5.178 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.167 3.780 8.196 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.665 5.855 9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.345 5.374 7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.738 5.688 7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.349 4.020 7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.558 4.384 10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.576 2.966 9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.105 3.982 11.158 1.00 0.00 H new ATOM 631 N THR A 46 -0.427 3.739 10.121 1.00 0.00 N ATOM 632 CA THR A 46 0.960 3.339 9.951 1.00 0.00 C ATOM 633 C THR A 46 1.736 3.541 11.254 1.00 0.00 C ATOM 634 O THR A 46 2.961 3.432 11.275 1.00 0.00 O ATOM 635 CB THR A 46 1.537 4.125 8.772 1.00 0.00 C ATOM 636 OG1 THR A 46 1.426 5.487 9.175 1.00 0.00 O ATOM 637 CG2 THR A 46 0.661 4.033 7.521 1.00 0.00 C ATOM 0 H THR A 46 -0.568 4.738 10.269 1.00 0.00 H new ATOM 0 HA THR A 46 1.041 2.276 9.723 1.00 0.00 H new ATOM 0 HB THR A 46 2.536 3.754 8.543 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.686 5.912 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.116 4.608 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.570 2.990 7.216 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.328 4.435 7.739 1.00 0.00 H new ATOM 645 N GLN A 47 0.991 3.832 12.310 1.00 0.00 N ATOM 646 CA GLN A 47 1.593 4.050 13.614 1.00 0.00 C ATOM 647 C GLN A 47 2.619 5.183 13.543 1.00 0.00 C ATOM 648 O GLN A 47 3.555 5.229 14.338 1.00 0.00 O ATOM 649 CB GLN A 47 2.233 2.765 14.145 1.00 0.00 C ATOM 650 CG GLN A 47 1.167 1.720 14.482 1.00 0.00 C ATOM 651 CD GLN A 47 1.108 1.463 15.989 1.00 0.00 C ATOM 652 OE1 GLN A 47 2.017 1.787 16.736 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.009 0.865 16.392 1.00 0.00 N ATOM 0 H GLN A 47 -0.025 3.922 12.289 1.00 0.00 H new ATOM 0 HA GLN A 47 0.807 4.341 14.310 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.920 2.362 13.401 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.822 2.989 15.034 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.194 2.061 14.129 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.387 0.789 13.959 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.730 0.621 15.713 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.145 0.650 17.380 1.00 0.00 H new ATOM 662 N VAL A 48 2.406 6.070 12.582 1.00 0.00 N ATOM 663 CA VAL A 48 3.300 7.200 12.395 1.00 0.00 C ATOM 664 C VAL A 48 2.786 8.391 13.207 1.00 0.00 C ATOM 665 O VAL A 48 1.606 8.731 13.137 1.00 0.00 O ATOM 666 CB VAL A 48 3.447 7.512 10.905 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.216 8.817 10.690 1.00 0.00 C ATOM 668 CG2 VAL A 48 4.118 6.352 10.166 1.00 0.00 C ATOM 0 H VAL A 48 1.627 6.029 11.925 1.00 0.00 H new ATOM 0 HA VAL A 48 4.298 6.961 12.763 1.00 0.00 H new ATOM 0 HB VAL A 48 2.447 7.641 10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.306 9.015 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.680 9.638 11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.210 8.730 11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.211 6.599 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.109 6.177 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.513 5.452 10.277 1.00 0.00 H new ATOM 678 N THR A 49 3.697 8.992 13.959 1.00 0.00 N ATOM 679 CA THR A 49 3.350 10.137 14.782 1.00 0.00 C ATOM 680 C THR A 49 4.308 11.299 14.512 1.00 0.00 C ATOM 681 O THR A 49 4.491 12.168 15.363 1.00 0.00 O ATOM 682 CB THR A 49 3.341 9.684 16.244 1.00 0.00 C ATOM 683 OG1 THR A 49 4.530 8.909 16.373 1.00 0.00 O ATOM 684 CG2 THR A 49 2.216 8.691 16.542 1.00 0.00 C ATOM 0 H THR A 49 4.675 8.707 14.015 1.00 0.00 H new ATOM 0 HA THR A 49 2.357 10.513 14.537 1.00 0.00 H new ATOM 0 HB THR A 49 3.239 10.554 16.893 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.606 8.576 17.292 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.255 8.402 17.592 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.254 9.157 16.329 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.337 7.806 15.917 1.00 0.00 H new ATOM 692 N ASP A 50 4.896 11.275 13.325 1.00 0.00 N ATOM 693 CA ASP A 50 5.831 12.315 12.932 1.00 0.00 C ATOM 694 C ASP A 50 5.062 13.468 12.284 1.00 0.00 C ATOM 695 O ASP A 50 4.278 13.254 11.360 1.00 0.00 O ATOM 696 CB ASP A 50 6.843 11.789 11.912 1.00 0.00 C ATOM 697 CG ASP A 50 8.300 12.162 12.195 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.672 12.133 13.388 1.00 0.00 O ATOM 699 OD2 ASP A 50 9.008 12.468 11.212 1.00 0.00 O ATOM 0 H ASP A 50 4.743 10.551 12.623 1.00 0.00 H new ATOM 0 HA ASP A 50 6.359 12.649 13.825 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.763 10.703 11.871 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.572 12.166 10.926 1.00 0.00 H new ATOM 704 N ARG A 51 5.314 14.665 12.793 1.00 0.00 N ATOM 705 CA ARG A 51 4.655 15.852 12.275 1.00 0.00 C ATOM 706 C ARG A 51 4.820 15.931 10.756 1.00 0.00 C ATOM 707 O ARG A 51 3.860 16.203 10.036 1.00 0.00 O ATOM 708 CB ARG A 51 5.228 17.121 12.910 1.00 0.00 C ATOM 709 CG ARG A 51 4.968 17.145 14.417 1.00 0.00 C ATOM 710 CD ARG A 51 3.943 18.221 14.780 1.00 0.00 C ATOM 711 NE ARG A 51 4.616 19.530 14.932 1.00 0.00 N ATOM 712 CZ ARG A 51 5.266 19.917 16.038 1.00 0.00 C ATOM 713 NH1 ARG A 51 5.336 19.097 17.095 1.00 0.00 N ATOM 714 NH2 ARG A 51 5.847 21.123 16.086 1.00 0.00 N ATOM 0 H ARG A 51 5.965 14.838 13.559 1.00 0.00 H new ATOM 0 HA ARG A 51 3.597 15.780 12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.300 17.174 12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.779 17.999 12.446 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.607 16.169 14.743 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.901 17.333 14.948 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.179 18.283 14.005 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.436 17.954 15.707 1.00 0.00 H new ATOM 0 HE ARG A 51 4.583 20.179 14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.895 18.178 17.058 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.831 19.391 17.937 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.795 21.747 15.281 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.342 21.418 16.928 1.00 0.00 H new ATOM 728 N LYS A 52 6.045 15.688 10.313 1.00 0.00 N ATOM 729 CA LYS A 52 6.349 15.728 8.892 1.00 0.00 C ATOM 730 C LYS A 52 5.341 14.861 8.135 1.00 0.00 C ATOM 731 O LYS A 52 5.119 15.059 6.941 1.00 0.00 O ATOM 732 CB LYS A 52 7.806 15.335 8.644 1.00 0.00 C ATOM 733 CG LYS A 52 8.762 16.302 9.346 1.00 0.00 C ATOM 734 CD LYS A 52 9.455 15.625 10.531 1.00 0.00 C ATOM 735 CE LYS A 52 10.575 16.507 11.087 1.00 0.00 C ATOM 736 NZ LYS A 52 10.679 16.347 12.555 1.00 0.00 N ATOM 0 H LYS A 52 6.839 15.463 10.913 1.00 0.00 H new ATOM 0 HA LYS A 52 6.248 16.744 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.979 14.321 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.008 15.332 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.510 16.658 8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.211 17.176 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.726 15.420 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.865 14.665 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.522 16.241 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.380 17.551 10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.444 16.952 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.780 16.623 12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.887 15.354 12.782 1.00 0.00 H new ATOM 750 N CYS A 53 4.757 13.918 8.860 1.00 0.00 N ATOM 751 CA CYS A 53 3.778 13.020 8.272 1.00 0.00 C ATOM 752 C CYS A 53 2.399 13.672 8.385 1.00 0.00 C ATOM 753 O CYS A 53 1.847 13.780 9.479 1.00 0.00 O ATOM 754 CB CYS A 53 3.811 11.638 8.929 1.00 0.00 C ATOM 755 SG CYS A 53 4.131 10.353 7.666 1.00 0.00 S ATOM 0 H CYS A 53 4.943 13.757 9.850 1.00 0.00 H new ATOM 0 HA CYS A 53 4.017 12.856 7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.586 11.608 9.694 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.862 11.441 9.428 1.00 0.00 H new ATOM 0 HG CYS A 53 3.645 10.737 6.523 1.00 0.00 H new ATOM 761 N SER A 54 1.882 14.091 7.239 1.00 0.00 N ATOM 762 CA SER A 54 0.578 14.730 7.196 1.00 0.00 C ATOM 763 C SER A 54 -0.516 13.675 7.016 1.00 0.00 C ATOM 764 O SER A 54 -0.350 12.727 6.251 1.00 0.00 O ATOM 765 CB SER A 54 0.508 15.764 6.070 1.00 0.00 C ATOM 766 OG SER A 54 -0.258 16.907 6.441 1.00 0.00 O ATOM 0 H SER A 54 2.343 14.000 6.334 1.00 0.00 H new ATOM 0 HA SER A 54 0.421 15.250 8.141 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.517 16.076 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.069 15.306 5.184 1.00 0.00 H new ATOM 0 HG SER A 54 -0.277 17.544 5.696 1.00 0.00 H new ATOM 772 N ARG A 55 -1.611 13.876 7.736 1.00 0.00 N ATOM 773 CA ARG A 55 -2.731 12.954 7.666 1.00 0.00 C ATOM 774 C ARG A 55 -2.922 12.458 6.231 1.00 0.00 C ATOM 775 O ARG A 55 -3.319 11.314 6.014 1.00 0.00 O ATOM 776 CB ARG A 55 -4.023 13.620 8.143 1.00 0.00 C ATOM 777 CG ARG A 55 -3.956 13.940 9.638 1.00 0.00 C ATOM 778 CD ARG A 55 -5.129 14.825 10.063 1.00 0.00 C ATOM 779 NE ARG A 55 -5.079 16.115 9.339 1.00 0.00 N ATOM 780 CZ ARG A 55 -5.663 16.333 8.152 1.00 0.00 C ATOM 781 NH1 ARG A 55 -6.344 15.349 7.549 1.00 0.00 N ATOM 782 NH2 ARG A 55 -5.565 17.536 7.569 1.00 0.00 N ATOM 0 H ARG A 55 -1.746 14.664 8.370 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.507 12.111 8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.193 14.537 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.870 12.962 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.968 13.014 10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.016 14.443 9.864 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.071 14.318 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.092 15.000 11.138 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.569 16.886 9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.418 14.434 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.788 15.515 6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.046 18.285 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.009 17.703 6.666 1.00 0.00 H new ATOM 796 N ASN A 56 -2.629 13.342 5.289 1.00 0.00 N ATOM 797 CA ASN A 56 -2.762 13.008 3.881 1.00 0.00 C ATOM 798 C ASN A 56 -1.429 13.257 3.173 1.00 0.00 C ATOM 799 O ASN A 56 -1.364 14.027 2.216 1.00 0.00 O ATOM 800 CB ASN A 56 -3.825 13.878 3.207 1.00 0.00 C ATOM 801 CG ASN A 56 -3.879 15.269 3.843 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.888 15.805 4.310 1.00 0.00 O ATOM 803 ND2 ASN A 56 -5.089 15.820 3.835 1.00 0.00 N ATOM 0 H ASN A 56 -2.300 14.290 5.473 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.054 11.960 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.605 13.969 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.800 13.398 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.230 16.747 4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.876 15.316 3.427 1.00 0.00 H new ATOM 810 N GLN A 57 -0.398 12.591 3.672 1.00 0.00 N ATOM 811 CA GLN A 57 0.931 12.730 3.099 1.00 0.00 C ATOM 812 C GLN A 57 0.951 12.189 1.668 1.00 0.00 C ATOM 813 O GLN A 57 1.559 12.788 0.783 1.00 0.00 O ATOM 814 CB GLN A 57 1.978 12.028 3.966 1.00 0.00 C ATOM 815 CG GLN A 57 3.282 11.825 3.193 1.00 0.00 C ATOM 816 CD GLN A 57 3.926 13.168 2.842 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.594 14.207 3.388 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.864 13.089 1.902 1.00 0.00 N ATOM 0 H GLN A 57 -0.456 11.954 4.466 1.00 0.00 H new ATOM 0 HA GLN A 57 1.184 13.790 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.170 12.619 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.594 11.063 4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.974 11.231 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.084 11.263 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.094 12.187 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.353 13.931 1.598 1.00 0.00 H new ATOM 827 N VAL A 58 0.279 11.061 1.487 1.00 0.00 N ATOM 828 CA VAL A 58 0.213 10.432 0.178 1.00 0.00 C ATOM 829 C VAL A 58 -1.161 9.783 -0.001 1.00 0.00 C ATOM 830 O VAL A 58 -1.974 9.776 0.922 1.00 0.00 O ATOM 831 CB VAL A 58 1.368 9.442 0.014 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.644 10.158 -0.432 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.604 8.656 1.305 1.00 0.00 C ATOM 0 H VAL A 58 -0.224 10.567 2.224 1.00 0.00 H new ATOM 0 HA VAL A 58 0.327 11.176 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 58 1.092 8.732 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.450 9.432 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.469 10.652 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.924 10.901 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.430 7.960 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.848 9.347 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.702 8.101 1.563 1.00 0.00 H new ATOM 843 N GLU A 59 -1.378 9.253 -1.196 1.00 0.00 N ATOM 844 CA GLU A 59 -2.639 8.603 -1.509 1.00 0.00 C ATOM 845 C GLU A 59 -2.387 7.246 -2.169 1.00 0.00 C ATOM 846 O GLU A 59 -1.912 7.181 -3.301 1.00 0.00 O ATOM 847 CB GLU A 59 -3.509 9.493 -2.399 1.00 0.00 C ATOM 848 CG GLU A 59 -4.943 8.964 -2.469 1.00 0.00 C ATOM 849 CD GLU A 59 -5.735 9.671 -3.571 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.342 9.507 -4.746 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.714 10.360 -3.213 1.00 0.00 O ATOM 0 H GLU A 59 -0.701 9.261 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.181 8.437 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.512 10.511 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.084 9.537 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.930 7.890 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.437 9.113 -1.509 1.00 0.00 H new ATOM 858 N LEU A 60 -2.718 6.195 -1.432 1.00 0.00 N ATOM 859 CA LEU A 60 -2.534 4.843 -1.932 1.00 0.00 C ATOM 860 C LEU A 60 -3.847 4.344 -2.537 1.00 0.00 C ATOM 861 O LEU A 60 -4.917 4.553 -1.966 1.00 0.00 O ATOM 862 CB LEU A 60 -1.980 3.936 -0.831 1.00 0.00 C ATOM 863 CG LEU A 60 -0.487 4.083 -0.530 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.253 5.066 0.618 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.154 2.720 -0.257 1.00 0.00 C ATOM 0 H LEU A 60 -3.112 6.253 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.791 4.829 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.536 4.130 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.174 2.900 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 60 0.000 4.497 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.816 5.152 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.652 6.043 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.756 4.704 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.215 2.853 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.331 2.255 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.035 2.080 -1.132 1.00 0.00 H new ATOM 877 N ILE A 61 -3.724 3.694 -3.685 1.00 0.00 N ATOM 878 CA ILE A 61 -4.889 3.164 -4.373 1.00 0.00 C ATOM 879 C ILE A 61 -4.599 1.732 -4.828 1.00 0.00 C ATOM 880 O ILE A 61 -3.650 1.495 -5.575 1.00 0.00 O ATOM 881 CB ILE A 61 -5.310 4.097 -5.510 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.476 5.533 -5.008 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.574 3.582 -6.202 1.00 0.00 C ATOM 884 CD1 ILE A 61 -4.434 6.458 -5.638 1.00 0.00 C ATOM 0 H ILE A 61 -2.836 3.522 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.743 3.118 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.515 4.107 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.477 5.892 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.379 5.556 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.852 4.263 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.385 2.591 -6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.387 3.524 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.574 7.472 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.434 6.111 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.550 6.452 -6.722 1.00 0.00 H new ATOM 896 N ALA A 62 -5.432 0.816 -4.359 1.00 0.00 N ATOM 897 CA ALA A 62 -5.277 -0.586 -4.709 1.00 0.00 C ATOM 898 C ALA A 62 -5.746 -0.803 -6.149 1.00 0.00 C ATOM 899 O ALA A 62 -6.894 -0.514 -6.482 1.00 0.00 O ATOM 900 CB ALA A 62 -6.048 -1.450 -3.709 1.00 0.00 C ATOM 0 H ALA A 62 -6.217 1.017 -3.739 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.229 -0.881 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.932 -2.502 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.658 -1.281 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.105 -1.184 -3.737 1.00 0.00 H new ATOM 906 N ASP A 63 -4.833 -1.310 -6.965 1.00 0.00 N ATOM 907 CA ASP A 63 -5.138 -1.569 -8.361 1.00 0.00 C ATOM 908 C ASP A 63 -4.914 -3.052 -8.662 1.00 0.00 C ATOM 909 O ASP A 63 -3.835 -3.444 -9.103 1.00 0.00 O ATOM 910 CB ASP A 63 -4.227 -0.757 -9.284 1.00 0.00 C ATOM 911 CG ASP A 63 -4.247 0.754 -9.047 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.299 1.361 -9.344 1.00 0.00 O ATOM 913 OD2 ASP A 63 -3.210 1.269 -8.575 1.00 0.00 O ATOM 0 H ASP A 63 -3.881 -1.548 -6.685 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.176 -1.285 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.204 -1.114 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.515 -0.951 -10.317 1.00 0.00 H new ATOM 918 N PRO A 64 -5.979 -3.858 -8.403 1.00 0.00 N ATOM 919 CA PRO A 64 -5.909 -5.290 -8.640 1.00 0.00 C ATOM 920 C PRO A 64 -5.992 -5.602 -10.136 1.00 0.00 C ATOM 921 O PRO A 64 -5.959 -6.765 -10.533 1.00 0.00 O ATOM 922 CB PRO A 64 -7.065 -5.877 -7.846 1.00 0.00 C ATOM 923 CG PRO A 64 -8.012 -4.720 -7.571 1.00 0.00 C ATOM 924 CD PRO A 64 -7.273 -3.429 -7.879 1.00 0.00 C ATOM 0 HA PRO A 64 -4.962 -5.724 -8.319 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.565 -6.665 -8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.713 -6.323 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.907 -4.804 -8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.339 -4.734 -6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.815 -2.827 -8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.155 -2.817 -6.985 1.00 0.00 H new ATOM 932 N GLU A 65 -6.099 -4.542 -10.924 1.00 0.00 N ATOM 933 CA GLU A 65 -6.188 -4.689 -12.367 1.00 0.00 C ATOM 934 C GLU A 65 -4.911 -5.331 -12.914 1.00 0.00 C ATOM 935 O GLU A 65 -4.971 -6.185 -13.797 1.00 0.00 O ATOM 936 CB GLU A 65 -6.455 -3.341 -13.040 1.00 0.00 C ATOM 937 CG GLU A 65 -5.309 -2.361 -12.778 1.00 0.00 C ATOM 938 CD GLU A 65 -5.603 -0.995 -13.402 1.00 0.00 C ATOM 939 OE1 GLU A 65 -6.504 -0.310 -12.871 1.00 0.00 O ATOM 940 OE2 GLU A 65 -4.920 -0.667 -14.396 1.00 0.00 O ATOM 0 H GLU A 65 -6.126 -3.578 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.028 -5.345 -12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.577 -3.484 -14.114 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.389 -2.922 -12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.159 -2.250 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.382 -2.761 -13.189 1.00 0.00 H new ATOM 947 N SER A 66 -3.786 -4.896 -12.367 1.00 0.00 N ATOM 948 CA SER A 66 -2.497 -5.418 -12.789 1.00 0.00 C ATOM 949 C SER A 66 -1.563 -5.542 -11.584 1.00 0.00 C ATOM 950 O SER A 66 -0.362 -5.301 -11.697 1.00 0.00 O ATOM 951 CB SER A 66 -1.866 -4.526 -13.860 1.00 0.00 C ATOM 952 OG SER A 66 -2.213 -4.946 -15.177 1.00 0.00 O ATOM 0 H SER A 66 -3.740 -4.187 -11.635 1.00 0.00 H new ATOM 0 HA SER A 66 -2.653 -6.406 -13.223 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.190 -3.496 -13.711 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.782 -4.538 -13.749 1.00 0.00 H new ATOM 0 HG SER A 66 -1.792 -4.350 -15.832 1.00 0.00 H new ATOM 958 N ARG A 67 -2.149 -5.919 -10.457 1.00 0.00 N ATOM 959 CA ARG A 67 -1.384 -6.078 -9.232 1.00 0.00 C ATOM 960 C ARG A 67 -0.440 -4.890 -9.038 1.00 0.00 C ATOM 961 O ARG A 67 0.779 -5.057 -9.024 1.00 0.00 O ATOM 962 CB ARG A 67 -0.567 -7.372 -9.258 1.00 0.00 C ATOM 963 CG ARG A 67 -1.482 -8.598 -9.292 1.00 0.00 C ATOM 964 CD ARG A 67 -1.034 -9.586 -10.370 1.00 0.00 C ATOM 965 NE ARG A 67 -0.114 -10.588 -9.787 1.00 0.00 N ATOM 966 CZ ARG A 67 0.636 -11.431 -10.511 1.00 0.00 C ATOM 967 NH1 ARG A 67 0.579 -11.398 -11.849 1.00 0.00 N ATOM 968 NH2 ARG A 67 1.442 -12.307 -9.896 1.00 0.00 N ATOM 0 H ARG A 67 -3.145 -6.119 -10.367 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.090 -6.124 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.086 -7.377 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.076 -7.418 -8.379 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.475 -9.088 -8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.508 -8.285 -9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.902 -10.085 -10.801 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.538 -9.052 -11.180 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.046 -10.640 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.035 -10.731 -12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.150 -12.039 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.485 -12.332 -8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.013 -12.949 -10.447 1.00 0.00 H new ATOM 982 N THR A 68 -1.039 -3.717 -8.892 1.00 0.00 N ATOM 983 CA THR A 68 -0.266 -2.502 -8.699 1.00 0.00 C ATOM 984 C THR A 68 -1.008 -1.541 -7.767 1.00 0.00 C ATOM 985 O THR A 68 -2.129 -1.821 -7.346 1.00 0.00 O ATOM 986 CB THR A 68 0.030 -1.906 -10.076 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.111 -2.251 -10.856 1.00 0.00 O ATOM 988 CG2 THR A 68 1.190 -2.611 -10.782 1.00 0.00 C ATOM 0 H THR A 68 -2.050 -3.582 -8.903 1.00 0.00 H new ATOM 0 HA THR A 68 0.685 -2.711 -8.209 1.00 0.00 H new ATOM 0 HB THR A 68 0.259 -0.846 -9.971 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.004 -1.902 -11.765 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.358 -2.149 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.092 -2.522 -10.177 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.947 -3.665 -10.918 1.00 0.00 H new ATOM 996 N VAL A 69 -0.352 -0.428 -7.473 1.00 0.00 N ATOM 997 CA VAL A 69 -0.935 0.576 -6.600 1.00 0.00 C ATOM 998 C VAL A 69 -0.407 1.957 -6.993 1.00 0.00 C ATOM 999 O VAL A 69 0.781 2.115 -7.270 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.655 0.223 -5.137 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.230 1.286 -4.198 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.200 -1.164 -4.794 1.00 0.00 C ATOM 0 H VAL A 69 0.578 -0.200 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.019 0.598 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 69 0.426 0.202 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.018 1.012 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.774 2.251 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.308 1.353 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.988 -1.390 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.277 -1.182 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.724 -1.910 -5.431 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.316 2.921 -7.006 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.956 4.283 -7.361 1.00 0.00 C ATOM 1014 C ALA A 70 -0.622 5.066 -6.090 1.00 0.00 C ATOM 1015 O ALA A 70 -1.230 4.846 -5.043 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.097 4.922 -8.156 1.00 0.00 C ATOM 0 H ALA A 70 -2.301 2.786 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.070 4.292 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.827 5.944 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.276 4.345 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.002 4.932 -7.549 1.00 0.00 H new ATOM 1022 N VAL A 71 0.343 5.963 -6.222 1.00 0.00 N ATOM 1023 CA VAL A 71 0.766 6.780 -5.097 1.00 0.00 C ATOM 1024 C VAL A 71 0.849 8.243 -5.536 1.00 0.00 C ATOM 1025 O VAL A 71 1.651 8.590 -6.402 1.00 0.00 O ATOM 1026 CB VAL A 71 2.085 6.250 -4.531 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.760 7.295 -3.641 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.869 4.940 -3.772 1.00 0.00 C ATOM 0 H VAL A 71 0.845 6.143 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 71 0.036 6.724 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 71 2.750 6.045 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.695 6.892 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.966 8.192 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.100 7.547 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.822 4.585 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.177 5.108 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.453 4.192 -4.448 1.00 0.00 H new ATOM 1038 N LYS A 72 0.008 9.061 -4.920 1.00 0.00 N ATOM 1039 CA LYS A 72 -0.023 10.479 -5.237 1.00 0.00 C ATOM 1040 C LYS A 72 0.355 11.284 -3.993 1.00 0.00 C ATOM 1041 O LYS A 72 -0.238 11.106 -2.930 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.380 10.865 -5.831 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.408 12.346 -6.216 1.00 0.00 C ATOM 1044 CD LYS A 72 -1.776 12.521 -7.691 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.264 12.248 -7.921 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.582 12.294 -9.365 1.00 0.00 N ATOM 0 H LYS A 72 -0.657 8.769 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 72 0.714 10.714 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.584 10.253 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.170 10.658 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.129 12.874 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.433 12.794 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.535 13.534 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.180 11.843 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.527 11.271 -7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.862 12.987 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.596 12.107 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.349 13.235 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.025 11.573 -9.866 1.00 0.00 H new ATOM 1060 N GLN A 73 1.340 12.153 -4.165 1.00 0.00 N ATOM 1061 CA GLN A 73 1.805 12.986 -3.069 1.00 0.00 C ATOM 1062 C GLN A 73 0.880 14.192 -2.890 1.00 0.00 C ATOM 1063 O GLN A 73 0.796 15.050 -3.768 1.00 0.00 O ATOM 1064 CB GLN A 73 3.251 13.432 -3.294 1.00 0.00 C ATOM 1065 CG GLN A 73 3.655 14.510 -2.286 1.00 0.00 C ATOM 1066 CD GLN A 73 5.177 14.621 -2.184 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.903 13.642 -2.238 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.620 15.867 -2.034 1.00 0.00 N ATOM 0 H GLN A 73 1.829 12.298 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 73 1.781 12.395 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.918 12.575 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.363 13.816 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.236 15.470 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.238 14.273 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.958 16.642 -1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.621 16.047 -1.957 1.00 0.00 H new ATOM 1077 N LEU A 74 0.209 14.218 -1.748 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.707 15.305 -1.443 1.00 0.00 C ATOM 1079 C LEU A 74 -0.194 16.070 -0.221 1.00 0.00 C ATOM 1080 O LEU A 74 -0.775 17.080 0.171 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.133 14.775 -1.284 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.343 13.300 -1.631 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.531 12.719 -0.861 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -2.490 13.107 -3.141 1.00 0.00 C ATOM 0 H LEU A 74 0.281 13.504 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.746 16.014 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.445 14.933 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.794 15.373 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.456 12.747 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.658 11.669 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.347 12.803 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.436 13.270 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.638 12.050 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.349 13.675 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.588 13.458 -3.642 1.00 0.00 H new ATOM 1096 N GLY A 75 0.888 15.558 0.346 1.00 0.00 N ATOM 1097 CA GLY A 75 1.485 16.180 1.515 1.00 0.00 C ATOM 1098 C GLY A 75 2.480 17.270 1.109 1.00 0.00 C ATOM 1099 O GLY A 75 2.230 18.025 0.171 1.00 0.00 O ATOM 0 H GLY A 75 1.367 14.719 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.704 16.611 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.993 15.424 2.114 1.00 0.00 H new ATOM 1103 N VAL A 76 3.587 17.317 1.836 1.00 0.00 N ATOM 1104 CA VAL A 76 4.620 18.302 1.563 1.00 0.00 C ATOM 1105 C VAL A 76 5.967 17.593 1.411 1.00 0.00 C ATOM 1106 O VAL A 76 6.661 17.779 0.413 1.00 0.00 O ATOM 1107 CB VAL A 76 4.627 19.370 2.658 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.439 18.740 4.040 1.00 0.00 C ATOM 1109 CG2 VAL A 76 5.910 20.202 2.604 1.00 0.00 C ATOM 0 H VAL A 76 3.791 16.689 2.613 1.00 0.00 H new ATOM 0 HA VAL A 76 4.417 18.819 0.625 1.00 0.00 H new ATOM 0 HB VAL A 76 3.786 20.040 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.448 19.521 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.486 18.213 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.249 18.037 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.890 20.954 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.772 19.551 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.983 20.695 1.635 1.00 0.00 H new ATOM 1119 N ASN A 77 6.296 16.793 2.415 1.00 0.00 N ATOM 1120 CA ASN A 77 7.547 16.055 2.405 1.00 0.00 C ATOM 1121 C ASN A 77 7.579 15.129 1.188 1.00 0.00 C ATOM 1122 O ASN A 77 6.552 14.576 0.798 1.00 0.00 O ATOM 1123 CB ASN A 77 7.687 15.192 3.660 1.00 0.00 C ATOM 1124 CG ASN A 77 8.498 15.915 4.737 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.702 15.758 4.854 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.773 16.715 5.514 1.00 0.00 N ATOM 0 H ASN A 77 5.717 16.640 3.241 1.00 0.00 H new ATOM 0 HA ASN A 77 8.363 16.776 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.699 14.946 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.173 14.250 3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.222 17.243 6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.768 16.800 5.361 1.00 0.00 H new ATOM 1133 N PRO A 78 8.800 14.986 0.606 1.00 0.00 N ATOM 1134 CA PRO A 78 8.978 14.136 -0.559 1.00 0.00 C ATOM 1135 C PRO A 78 8.952 12.657 -0.168 1.00 0.00 C ATOM 1136 O PRO A 78 9.749 12.215 0.659 1.00 0.00 O ATOM 1137 CB PRO A 78 10.305 14.568 -1.160 1.00 0.00 C ATOM 1138 CG PRO A 78 11.040 15.315 -0.059 1.00 0.00 C ATOM 1139 CD PRO A 78 10.037 15.626 1.041 1.00 0.00 C ATOM 0 HA PRO A 78 8.172 14.243 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.880 13.705 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.150 15.207 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.860 14.711 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.478 16.234 -0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.369 15.234 2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.905 16.701 1.164 1.00 0.00 H new ATOM 1147 N SER A 79 8.028 11.932 -0.781 1.00 0.00 N ATOM 1148 CA SER A 79 7.887 10.512 -0.507 1.00 0.00 C ATOM 1149 C SER A 79 8.770 9.706 -1.462 1.00 0.00 C ATOM 1150 O SER A 79 9.153 10.196 -2.523 1.00 0.00 O ATOM 1151 CB SER A 79 6.428 10.069 -0.632 1.00 0.00 C ATOM 1152 OG SER A 79 5.684 10.342 0.552 1.00 0.00 O ATOM 0 H SER A 79 7.369 12.301 -1.467 1.00 0.00 H new ATOM 0 HA SER A 79 8.207 10.327 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.965 10.579 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.390 9.001 -0.846 1.00 0.00 H new ATOM 0 HG SER A 79 6.146 9.956 1.325 1.00 0.00 H new ATOM 1158 N THR A 80 9.067 8.482 -1.050 1.00 0.00 N ATOM 1159 CA THR A 80 9.898 7.603 -1.856 1.00 0.00 C ATOM 1160 C THR A 80 9.154 6.303 -2.167 1.00 0.00 C ATOM 1161 O THR A 80 8.859 5.520 -1.264 1.00 0.00 O ATOM 1162 CB THR A 80 11.216 7.385 -1.111 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.752 8.697 -0.962 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.256 6.652 -1.962 1.00 0.00 C ATOM 0 H THR A 80 8.747 8.078 -0.169 1.00 0.00 H new ATOM 0 HA THR A 80 10.125 8.050 -2.824 1.00 0.00 H new ATOM 0 HB THR A 80 11.028 6.818 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.654 8.727 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.172 6.523 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.868 5.675 -2.249 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.470 7.235 -2.858 1.00 0.00 H new ATOM 1172 N VAL A 81 8.870 6.112 -3.447 1.00 0.00 N ATOM 1173 CA VAL A 81 8.166 4.920 -3.888 1.00 0.00 C ATOM 1174 C VAL A 81 9.181 3.880 -4.364 1.00 0.00 C ATOM 1175 O VAL A 81 9.511 3.825 -5.548 1.00 0.00 O ATOM 1176 CB VAL A 81 7.138 5.287 -4.961 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.624 4.037 -5.678 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.981 6.089 -4.360 1.00 0.00 C ATOM 0 H VAL A 81 9.115 6.763 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 81 7.610 4.477 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 81 7.634 5.917 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.895 4.326 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.458 3.522 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.152 3.371 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.265 6.337 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.487 5.495 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.366 7.007 -3.917 1.00 0.00 H new ATOM 1188 N GLY A 82 9.648 3.079 -3.417 1.00 0.00 N ATOM 1189 CA GLY A 82 10.620 2.043 -3.725 1.00 0.00 C ATOM 1190 C GLY A 82 12.048 2.579 -3.608 1.00 0.00 C ATOM 1191 O GLY A 82 12.629 2.576 -2.524 1.00 0.00 O ATOM 0 H GLY A 82 9.371 3.126 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.487 1.201 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.450 1.668 -4.734 1.00 0.00 H new ATOM 1195 N VAL A 83 12.573 3.026 -4.740 1.00 0.00 N ATOM 1196 CA VAL A 83 13.922 3.563 -4.778 1.00 0.00 C ATOM 1197 C VAL A 83 13.924 4.870 -5.573 1.00 0.00 C ATOM 1198 O VAL A 83 14.971 5.315 -6.041 1.00 0.00 O ATOM 1199 CB VAL A 83 14.886 2.518 -5.344 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.594 2.246 -6.821 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.341 2.948 -5.142 1.00 0.00 C ATOM 0 H VAL A 83 12.088 3.027 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 83 14.269 3.794 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 83 14.733 1.588 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.293 1.500 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.575 1.875 -6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.706 3.169 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.005 2.188 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.514 3.896 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.541 3.067 -4.077 1.00 0.00 H new ATOM 1211 N GLN A 84 12.739 5.449 -5.701 1.00 0.00 N ATOM 1212 CA GLN A 84 12.590 6.696 -6.431 1.00 0.00 C ATOM 1213 C GLN A 84 11.917 7.751 -5.550 1.00 0.00 C ATOM 1214 O GLN A 84 10.946 7.455 -4.854 1.00 0.00 O ATOM 1215 CB GLN A 84 11.806 6.483 -7.727 1.00 0.00 C ATOM 1216 CG GLN A 84 11.264 7.809 -8.265 1.00 0.00 C ATOM 1217 CD GLN A 84 9.759 7.927 -8.018 1.00 0.00 C ATOM 1218 OE1 GLN A 84 9.239 7.523 -6.991 1.00 0.00 O ATOM 1219 NE2 GLN A 84 9.090 8.502 -9.014 1.00 0.00 N ATOM 0 H GLN A 84 11.873 5.077 -5.311 1.00 0.00 H new ATOM 0 HA GLN A 84 13.583 7.056 -6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.451 6.020 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.980 5.795 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.781 8.639 -7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.468 7.883 -9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.587 8.818 -9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.080 8.627 -8.945 1.00 0.00 H new ATOM 1228 N GLU A 85 12.459 8.958 -5.608 1.00 0.00 N ATOM 1229 CA GLU A 85 11.922 10.058 -4.824 1.00 0.00 C ATOM 1230 C GLU A 85 10.745 10.706 -5.555 1.00 0.00 C ATOM 1231 O GLU A 85 10.770 10.846 -6.777 1.00 0.00 O ATOM 1232 CB GLU A 85 13.009 11.089 -4.511 1.00 0.00 C ATOM 1233 CG GLU A 85 13.020 11.438 -3.022 1.00 0.00 C ATOM 1234 CD GLU A 85 14.364 11.081 -2.384 1.00 0.00 C ATOM 1235 OE1 GLU A 85 15.286 11.918 -2.496 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.439 9.978 -1.800 1.00 0.00 O ATOM 0 H GLU A 85 13.264 9.199 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 85 11.560 9.661 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.983 10.696 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.840 11.991 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.824 12.502 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.218 10.902 -2.514 1.00 0.00 H new ATOM 1243 N LEU A 86 9.743 11.086 -4.777 1.00 0.00 N ATOM 1244 CA LEU A 86 8.559 11.716 -5.335 1.00 0.00 C ATOM 1245 C LEU A 86 8.635 13.227 -5.106 1.00 0.00 C ATOM 1246 O LEU A 86 9.659 13.740 -4.656 1.00 0.00 O ATOM 1247 CB LEU A 86 7.291 11.072 -4.769 1.00 0.00 C ATOM 1248 CG LEU A 86 6.860 9.756 -5.420 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.422 9.401 -5.038 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.054 9.806 -6.937 1.00 0.00 C ATOM 0 H LEU A 86 9.727 10.970 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 86 8.516 11.557 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.441 10.896 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.472 11.786 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 86 7.500 8.960 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.140 8.462 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.348 9.296 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.751 10.192 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.740 8.859 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.454 10.615 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.106 9.980 -7.164 1.00 0.00 H new ATOM 1262 N LYS A 87 7.538 13.898 -5.427 1.00 0.00 N ATOM 1263 CA LYS A 87 7.468 15.340 -5.262 1.00 0.00 C ATOM 1264 C LYS A 87 6.031 15.741 -4.924 1.00 0.00 C ATOM 1265 O LYS A 87 5.126 14.909 -4.961 1.00 0.00 O ATOM 1266 CB LYS A 87 8.031 16.048 -6.496 1.00 0.00 C ATOM 1267 CG LYS A 87 9.391 16.680 -6.194 1.00 0.00 C ATOM 1268 CD LYS A 87 10.148 16.996 -7.485 1.00 0.00 C ATOM 1269 CE LYS A 87 9.923 18.448 -7.911 1.00 0.00 C ATOM 1270 NZ LYS A 87 11.191 19.209 -7.851 1.00 0.00 N ATOM 0 H LYS A 87 6.691 13.470 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 87 8.092 15.659 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.131 15.335 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.334 16.818 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.251 17.594 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.982 16.002 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.213 16.817 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.818 16.325 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.522 18.478 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.182 18.913 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.020 20.192 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.558 19.196 -6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.887 18.774 -8.490 1.00 0.00 H new ATOM 1284 N PRO A 88 5.862 17.050 -4.595 1.00 0.00 N ATOM 1285 CA PRO A 88 4.550 17.571 -4.251 1.00 0.00 C ATOM 1286 C PRO A 88 3.681 17.738 -5.499 1.00 0.00 C ATOM 1287 O PRO A 88 3.986 18.554 -6.368 1.00 0.00 O ATOM 1288 CB PRO A 88 4.824 18.886 -3.538 1.00 0.00 C ATOM 1289 CG PRO A 88 6.242 19.278 -3.917 1.00 0.00 C ATOM 1290 CD PRO A 88 6.911 18.064 -4.541 1.00 0.00 C ATOM 0 HA PRO A 88 3.984 16.895 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.112 19.652 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.725 18.773 -2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.233 20.112 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.795 19.608 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.294 18.291 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.757 17.727 -3.943 1.00 0.00 H new ATOM 1298 N GLY A 89 2.617 16.951 -5.550 1.00 0.00 N ATOM 1299 CA GLY A 89 1.702 17.001 -6.677 1.00 0.00 C ATOM 1300 C GLY A 89 2.060 15.941 -7.721 1.00 0.00 C ATOM 1301 O GLY A 89 1.437 15.872 -8.780 1.00 0.00 O ATOM 0 H GLY A 89 2.368 16.275 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.681 16.843 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.734 17.991 -7.133 1.00 0.00 H new ATOM 1305 N LEU A 90 3.061 15.140 -7.385 1.00 0.00 N ATOM 1306 CA LEU A 90 3.508 14.087 -8.280 1.00 0.00 C ATOM 1307 C LEU A 90 2.643 12.842 -8.069 1.00 0.00 C ATOM 1308 O LEU A 90 1.719 12.855 -7.257 1.00 0.00 O ATOM 1309 CB LEU A 90 5.006 13.832 -8.100 1.00 0.00 C ATOM 1310 CG LEU A 90 5.784 13.478 -9.370 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.346 14.357 -10.543 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.293 13.555 -9.128 1.00 0.00 C ATOM 0 H LEU A 90 3.575 15.199 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 90 3.382 14.391 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.455 14.722 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.133 13.021 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 90 5.553 12.447 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.914 14.085 -11.433 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.283 14.209 -10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.529 15.404 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.822 13.299 -10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.562 14.567 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.572 12.854 -8.341 1.00 0.00 H new ATOM 1324 N SER A 91 2.974 11.798 -8.815 1.00 0.00 N ATOM 1325 CA SER A 91 2.238 10.548 -8.720 1.00 0.00 C ATOM 1326 C SER A 91 3.086 9.399 -9.269 1.00 0.00 C ATOM 1327 O SER A 91 3.677 9.517 -10.342 1.00 0.00 O ATOM 1328 CB SER A 91 0.908 10.633 -9.471 1.00 0.00 C ATOM 1329 OG SER A 91 0.664 11.943 -9.977 1.00 0.00 O ATOM 0 H SER A 91 3.741 11.792 -9.487 1.00 0.00 H new ATOM 0 HA SER A 91 2.019 10.359 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.911 9.920 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.096 10.345 -8.804 1.00 0.00 H new ATOM 0 HG SER A 91 -0.194 11.956 -10.451 1.00 0.00 H new ATOM 1335 N GLY A 92 3.118 8.314 -8.510 1.00 0.00 N ATOM 1336 CA GLY A 92 3.884 7.145 -8.908 1.00 0.00 C ATOM 1337 C GLY A 92 3.058 5.867 -8.744 1.00 0.00 C ATOM 1338 O GLY A 92 1.864 5.928 -8.453 1.00 0.00 O ATOM 0 H GLY A 92 2.626 8.219 -7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.199 7.248 -9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.790 7.077 -8.306 1.00 0.00 H new ATOM 1342 N SER A 93 3.726 4.740 -8.939 1.00 0.00 N ATOM 1343 CA SER A 93 3.069 3.450 -8.816 1.00 0.00 C ATOM 1344 C SER A 93 3.919 2.508 -7.961 1.00 0.00 C ATOM 1345 O SER A 93 5.147 2.570 -7.997 1.00 0.00 O ATOM 1346 CB SER A 93 2.812 2.830 -10.191 1.00 0.00 C ATOM 1347 OG SER A 93 3.983 2.226 -10.733 1.00 0.00 O ATOM 0 H SER A 93 4.716 4.693 -9.181 1.00 0.00 H new ATOM 0 HA SER A 93 2.106 3.603 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.023 2.082 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.452 3.600 -10.874 1.00 0.00 H new ATOM 0 HG SER A 93 3.776 1.841 -11.610 1.00 0.00 H new ATOM 1353 N LEU A 94 3.232 1.659 -7.211 1.00 0.00 N ATOM 1354 CA LEU A 94 3.909 0.706 -6.347 1.00 0.00 C ATOM 1355 C LEU A 94 3.595 -0.715 -6.819 1.00 0.00 C ATOM 1356 O LEU A 94 2.433 -1.060 -7.032 1.00 0.00 O ATOM 1357 CB LEU A 94 3.550 0.962 -4.882 1.00 0.00 C ATOM 1358 CG LEU A 94 4.678 1.498 -3.999 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.499 2.993 -3.728 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.791 0.690 -2.704 1.00 0.00 C ATOM 0 H LEU A 94 2.214 1.611 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 94 4.990 0.832 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.722 1.671 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.188 0.029 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 94 5.619 1.379 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.314 3.349 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.506 3.537 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.549 3.160 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.600 1.091 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.854 0.755 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.000 -0.353 -2.943 1.00 0.00 H new ATOM 1372 N SER A 95 4.650 -1.501 -6.968 1.00 0.00 N ATOM 1373 CA SER A 95 4.502 -2.878 -7.410 1.00 0.00 C ATOM 1374 C SER A 95 4.431 -3.811 -6.200 1.00 0.00 C ATOM 1375 O SER A 95 4.826 -3.435 -5.097 1.00 0.00 O ATOM 1376 CB SER A 95 5.654 -3.288 -8.330 1.00 0.00 C ATOM 1377 OG SER A 95 5.975 -2.267 -9.270 1.00 0.00 O ATOM 0 H SER A 95 5.612 -1.211 -6.791 1.00 0.00 H new ATOM 0 HA SER A 95 3.574 -2.958 -7.977 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.534 -3.517 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.385 -4.200 -8.863 1.00 0.00 H new ATOM 0 HG SER A 95 6.716 -2.566 -9.838 1.00 0.00 H new ATOM 1383 N LEU A 96 3.924 -5.010 -6.447 1.00 0.00 N ATOM 1384 CA LEU A 96 3.796 -6.001 -5.391 1.00 0.00 C ATOM 1385 C LEU A 96 5.179 -6.301 -4.809 1.00 0.00 C ATOM 1386 O LEU A 96 6.002 -6.947 -5.455 1.00 0.00 O ATOM 1387 CB LEU A 96 3.064 -7.241 -5.906 1.00 0.00 C ATOM 1388 CG LEU A 96 1.613 -7.402 -5.447 1.00 0.00 C ATOM 1389 CD1 LEU A 96 0.926 -8.549 -6.192 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.534 -7.576 -3.929 1.00 0.00 C ATOM 0 H LEU A 96 3.597 -5.318 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 96 3.184 -5.613 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.080 -7.221 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.623 -8.124 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 96 1.073 -6.488 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.104 -8.642 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.933 -8.343 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.459 -9.480 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.492 -7.688 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.094 -8.464 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.960 -6.700 -3.440 1.00 0.00 H new ATOM 1402 N GLY A 97 5.392 -5.817 -3.594 1.00 0.00 N ATOM 1403 CA GLY A 97 6.661 -6.025 -2.917 1.00 0.00 C ATOM 1404 C GLY A 97 7.416 -4.705 -2.749 1.00 0.00 C ATOM 1405 O GLY A 97 8.263 -4.578 -1.867 1.00 0.00 O ATOM 0 H GLY A 97 4.707 -5.281 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.486 -6.475 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.270 -6.727 -3.487 1.00 0.00 H new ATOM 1409 N ASP A 98 7.081 -3.755 -3.610 1.00 0.00 N ATOM 1410 CA ASP A 98 7.717 -2.449 -3.568 1.00 0.00 C ATOM 1411 C ASP A 98 7.434 -1.792 -2.216 1.00 0.00 C ATOM 1412 O ASP A 98 6.463 -2.138 -1.545 1.00 0.00 O ATOM 1413 CB ASP A 98 7.166 -1.533 -4.663 1.00 0.00 C ATOM 1414 CG ASP A 98 7.768 -1.751 -6.052 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.309 -2.857 -6.269 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.674 -0.808 -6.867 1.00 0.00 O ATOM 0 H ASP A 98 6.378 -3.864 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 98 8.787 -2.590 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.087 -1.674 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.335 -0.497 -4.369 1.00 0.00 H new ATOM 1421 N VAL A 99 8.300 -0.856 -1.856 1.00 0.00 N ATOM 1422 CA VAL A 99 8.156 -0.148 -0.595 1.00 0.00 C ATOM 1423 C VAL A 99 7.650 1.270 -0.867 1.00 0.00 C ATOM 1424 O VAL A 99 7.743 1.761 -1.991 1.00 0.00 O ATOM 1425 CB VAL A 99 9.478 -0.174 0.174 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.358 0.585 1.497 1.00 0.00 C ATOM 1427 CG2 VAL A 99 9.948 -1.611 0.408 1.00 0.00 C ATOM 0 H VAL A 99 9.104 -0.571 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 99 7.418 -0.641 0.038 1.00 0.00 H new ATOM 0 HB VAL A 99 10.229 0.330 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.312 0.551 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.090 1.623 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.587 0.123 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.890 -1.601 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.197 -2.150 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.092 -2.107 -0.552 1.00 0.00 H new ATOM 1437 N LEU A 100 7.127 1.889 0.181 1.00 0.00 N ATOM 1438 CA LEU A 100 6.606 3.241 0.069 1.00 0.00 C ATOM 1439 C LEU A 100 6.888 4.000 1.368 1.00 0.00 C ATOM 1440 O LEU A 100 6.041 4.049 2.258 1.00 0.00 O ATOM 1441 CB LEU A 100 5.127 3.215 -0.319 1.00 0.00 C ATOM 1442 CG LEU A 100 4.364 4.529 -0.141 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.942 5.625 -1.038 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.865 4.329 -0.376 1.00 0.00 C ATOM 0 H LEU A 100 7.053 1.479 1.112 1.00 0.00 H new ATOM 0 HA LEU A 100 7.112 3.779 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.051 2.912 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.630 2.446 0.273 1.00 0.00 H new ATOM 0 HG LEU A 100 4.488 4.858 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.381 6.548 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.988 5.791 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.869 5.318 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.346 5.278 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.701 3.965 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.479 3.601 0.338 1.00 0.00 H new ATOM 1456 N TYR A 101 8.081 4.573 1.434 1.00 0.00 N ATOM 1457 CA TYR A 101 8.484 5.327 2.608 1.00 0.00 C ATOM 1458 C TYR A 101 7.570 6.534 2.826 1.00 0.00 C ATOM 1459 O TYR A 101 7.734 7.567 2.177 1.00 0.00 O ATOM 1460 CB TYR A 101 9.904 5.822 2.324 1.00 0.00 C ATOM 1461 CG TYR A 101 10.929 4.702 2.144 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.513 4.116 3.249 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.271 4.276 0.876 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.478 3.061 3.079 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.236 3.221 0.706 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.792 2.666 1.816 1.00 0.00 C ATOM 1467 OH TYR A 101 13.704 1.669 1.656 1.00 0.00 O ATOM 0 H TYR A 101 8.781 4.530 0.693 1.00 0.00 H new ATOM 0 HA TYR A 101 8.429 4.705 3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.890 6.436 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.224 6.465 3.144 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.246 4.449 4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.814 4.734 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.942 2.594 3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.512 2.878 -0.280 1.00 0.00 H new ATOM 0 HH TYR A 101 13.829 1.490 0.701 1.00 0.00 H new ATOM 1477 N LEU A 102 6.627 6.365 3.741 1.00 0.00 N ATOM 1478 CA LEU A 102 5.686 7.428 4.052 1.00 0.00 C ATOM 1479 C LEU A 102 6.413 8.773 4.015 1.00 0.00 C ATOM 1480 O LEU A 102 6.047 9.661 3.246 1.00 0.00 O ATOM 1481 CB LEU A 102 4.980 7.146 5.379 1.00 0.00 C ATOM 1482 CG LEU A 102 3.471 6.907 5.299 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.100 5.542 5.880 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.699 8.045 5.970 1.00 0.00 C ATOM 0 H LEU A 102 6.494 5.508 4.277 1.00 0.00 H new ATOM 0 HA LEU A 102 4.897 7.471 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.443 6.271 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.160 7.987 6.049 1.00 0.00 H new ATOM 0 HG LEU A 102 3.182 6.898 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.022 5.398 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.608 4.758 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.406 5.496 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.629 7.850 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.987 8.111 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.930 8.986 5.470 1.00 0.00 H new ATOM 1496 N VAL A 103 7.431 8.883 4.856 1.00 0.00 N ATOM 1497 CA VAL A 103 8.213 10.105 4.930 1.00 0.00 C ATOM 1498 C VAL A 103 9.572 9.799 5.563 1.00 0.00 C ATOM 1499 O VAL A 103 9.803 8.688 6.038 1.00 0.00 O ATOM 1500 CB VAL A 103 7.431 11.182 5.684 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.223 10.785 7.147 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.127 12.540 5.579 1.00 0.00 C ATOM 0 H VAL A 103 7.732 8.145 5.492 1.00 0.00 H new ATOM 0 HA VAL A 103 8.401 10.499 3.931 1.00 0.00 H new ATOM 0 HB VAL A 103 6.450 11.271 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.665 11.568 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.665 9.850 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.191 10.654 7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.550 13.288 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.127 12.470 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.200 12.831 4.531 1.00 0.00 H new ATOM 1512 N ASN A 104 10.435 10.804 5.550 1.00 0.00 N ATOM 1513 CA ASN A 104 11.765 10.656 6.117 1.00 0.00 C ATOM 1514 C ASN A 104 12.312 9.270 5.769 1.00 0.00 C ATOM 1515 O ASN A 104 12.859 8.581 6.628 1.00 0.00 O ATOM 1516 CB ASN A 104 11.731 10.782 7.641 1.00 0.00 C ATOM 1517 CG ASN A 104 10.666 11.787 8.084 1.00 0.00 C ATOM 1518 OD1 ASN A 104 9.777 11.485 8.864 1.00 0.00 O ATOM 1519 ND2 ASN A 104 10.804 12.995 7.546 1.00 0.00 N ATOM 0 H ASN A 104 10.239 11.724 5.156 1.00 0.00 H new ATOM 0 HA ASN A 104 12.397 11.442 5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.525 9.808 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.708 11.098 8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.143 13.736 7.779 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.571 13.181 6.900 1.00 0.00 H new ATOM 1526 N GLY A 105 12.145 8.903 4.507 1.00 0.00 N ATOM 1527 CA GLY A 105 12.614 7.611 4.035 1.00 0.00 C ATOM 1528 C GLY A 105 12.420 6.533 5.103 1.00 0.00 C ATOM 1529 O GLY A 105 13.187 5.574 5.169 1.00 0.00 O ATOM 0 H GLY A 105 11.691 9.478 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.074 7.333 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.669 7.678 3.769 1.00 0.00 H new ATOM 1533 N LEU A 106 11.389 6.727 5.913 1.00 0.00 N ATOM 1534 CA LEU A 106 11.083 5.783 6.974 1.00 0.00 C ATOM 1535 C LEU A 106 9.657 5.261 6.791 1.00 0.00 C ATOM 1536 O LEU A 106 9.017 5.534 5.777 1.00 0.00 O ATOM 1537 CB LEU A 106 11.335 6.417 8.344 1.00 0.00 C ATOM 1538 CG LEU A 106 12.787 6.418 8.826 1.00 0.00 C ATOM 1539 CD1 LEU A 106 12.872 6.788 10.308 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.463 5.077 8.531 1.00 0.00 C ATOM 0 H LEU A 106 10.755 7.524 5.855 1.00 0.00 H new ATOM 0 HA LEU A 106 11.748 4.921 6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.982 7.448 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.728 5.892 9.082 1.00 0.00 H new ATOM 0 HG LEU A 106 13.331 7.182 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.915 6.781 10.625 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.453 7.783 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.309 6.064 10.897 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.494 5.104 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.926 4.278 9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.451 4.892 7.457 1.00 0.00 H new ATOM 1552 N TYR A 107 9.201 4.518 7.789 1.00 0.00 N ATOM 1553 CA TYR A 107 7.862 3.955 7.751 1.00 0.00 C ATOM 1554 C TYR A 107 7.538 3.405 6.360 1.00 0.00 C ATOM 1555 O TYR A 107 6.591 3.854 5.717 1.00 0.00 O ATOM 1556 CB TYR A 107 6.909 5.110 8.064 1.00 0.00 C ATOM 1557 CG TYR A 107 7.434 6.079 9.126 1.00 0.00 C ATOM 1558 CD1 TYR A 107 7.771 5.612 10.380 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.570 7.420 8.829 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.264 6.524 11.379 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.063 8.332 9.828 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.386 7.838 11.054 1.00 0.00 C ATOM 1563 OH TYR A 107 8.853 8.700 11.998 1.00 0.00 O ATOM 0 H TYR A 107 9.735 4.293 8.628 1.00 0.00 H new ATOM 0 HA TYR A 107 7.771 3.134 8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.712 5.664 7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 107 5.956 4.701 8.399 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.665 4.563 10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.307 7.785 7.847 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.531 6.172 12.364 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.174 9.384 9.609 1.00 0.00 H new ATOM 0 HH TYR A 107 9.115 9.542 11.571 1.00 0.00 H new ATOM 1573 N PRO A 108 8.364 2.415 5.927 1.00 0.00 N ATOM 1574 CA PRO A 108 8.175 1.799 4.625 1.00 0.00 C ATOM 1575 C PRO A 108 6.980 0.843 4.638 1.00 0.00 C ATOM 1576 O PRO A 108 6.833 0.041 5.559 1.00 0.00 O ATOM 1577 CB PRO A 108 9.491 1.100 4.325 1.00 0.00 C ATOM 1578 CG PRO A 108 10.201 0.958 5.661 1.00 0.00 C ATOM 1579 CD PRO A 108 9.495 1.858 6.662 1.00 0.00 C ATOM 0 HA PRO A 108 7.939 2.525 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.320 0.125 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.091 1.680 3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.178 -0.079 5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.250 1.240 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.162 1.295 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.158 2.644 7.024 1.00 0.00 H new ATOM 1587 N LEU A 109 6.157 0.960 3.607 1.00 0.00 N ATOM 1588 CA LEU A 109 4.980 0.117 3.488 1.00 0.00 C ATOM 1589 C LEU A 109 5.174 -0.862 2.329 1.00 0.00 C ATOM 1590 O LEU A 109 5.231 -0.454 1.170 1.00 0.00 O ATOM 1591 CB LEU A 109 3.718 0.972 3.366 1.00 0.00 C ATOM 1592 CG LEU A 109 3.185 1.571 4.669 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.918 0.479 5.707 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.129 2.650 5.203 1.00 0.00 C ATOM 0 H LEU A 109 6.282 1.627 2.845 1.00 0.00 H new ATOM 0 HA LEU A 109 4.846 -0.479 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.921 1.787 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.932 0.362 2.921 1.00 0.00 H new ATOM 0 HG LEU A 109 2.231 2.053 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.540 0.933 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.179 -0.221 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.845 -0.054 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.727 3.059 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.109 2.213 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.225 3.447 4.466 1.00 0.00 H new ATOM 1606 N THR A 110 5.270 -2.136 2.681 1.00 0.00 N ATOM 1607 CA THR A 110 5.456 -3.176 1.684 1.00 0.00 C ATOM 1608 C THR A 110 4.106 -3.619 1.117 1.00 0.00 C ATOM 1609 O THR A 110 3.236 -4.075 1.858 1.00 0.00 O ATOM 1610 CB THR A 110 6.246 -4.315 2.331 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.569 -3.798 2.448 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.399 -5.523 1.404 1.00 0.00 C ATOM 0 H THR A 110 5.222 -2.471 3.643 1.00 0.00 H new ATOM 0 HA THR A 110 6.027 -2.809 0.831 1.00 0.00 H new ATOM 0 HB THR A 110 5.749 -4.624 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.148 -4.472 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.967 -6.302 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.413 -5.906 1.140 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.926 -5.222 0.498 1.00 0.00 H new ATOM 1620 N LEU A 111 3.973 -3.470 -0.193 1.00 0.00 N ATOM 1621 CA LEU A 111 2.743 -3.849 -0.868 1.00 0.00 C ATOM 1622 C LEU A 111 2.688 -5.372 -1.001 1.00 0.00 C ATOM 1623 O LEU A 111 3.602 -5.984 -1.551 1.00 0.00 O ATOM 1624 CB LEU A 111 2.615 -3.110 -2.202 1.00 0.00 C ATOM 1625 CG LEU A 111 1.569 -3.659 -3.175 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.179 -3.670 -2.536 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.588 -2.885 -4.494 1.00 0.00 C ATOM 0 H LEU A 111 4.696 -3.092 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 111 1.877 -3.549 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.378 -2.066 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.586 -3.124 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 111 1.825 -4.693 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.546 -4.065 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.193 -4.299 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.102 -2.654 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.835 -3.295 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.370 -1.834 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.573 -2.973 -4.953 1.00 0.00 H new ATOM 1639 N ARG A 112 1.606 -5.940 -0.487 1.00 0.00 N ATOM 1640 CA ARG A 112 1.420 -7.380 -0.542 1.00 0.00 C ATOM 1641 C ARG A 112 0.108 -7.719 -1.253 1.00 0.00 C ATOM 1642 O ARG A 112 -0.765 -6.864 -1.393 1.00 0.00 O ATOM 1643 CB ARG A 112 1.401 -7.986 0.863 1.00 0.00 C ATOM 1644 CG ARG A 112 2.819 -8.111 1.425 1.00 0.00 C ATOM 1645 CD ARG A 112 3.591 -9.229 0.721 1.00 0.00 C ATOM 1646 NE ARG A 112 5.045 -8.965 0.797 1.00 0.00 N ATOM 1647 CZ ARG A 112 5.989 -9.860 0.474 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.637 -11.081 0.051 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.285 -9.533 0.574 1.00 0.00 N ATOM 0 H ARG A 112 0.850 -5.429 -0.031 1.00 0.00 H new ATOM 0 HA ARG A 112 2.258 -7.802 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.798 -7.363 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.930 -8.968 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.348 -7.166 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.773 -8.314 2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.362 -10.188 1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.279 -9.297 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 112 5.348 -8.044 1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.651 -11.330 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.355 -11.762 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.553 -8.603 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.003 -10.214 0.328 1.00 0.00 H new ATOM 1663 N TRP A 113 0.012 -8.968 -1.684 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.178 -9.430 -2.378 1.00 0.00 C ATOM 1665 C TRP A 113 -1.602 -10.761 -1.754 1.00 0.00 C ATOM 1666 O TRP A 113 -0.789 -11.675 -1.619 1.00 0.00 O ATOM 1667 CB TRP A 113 -0.931 -9.528 -3.884 1.00 0.00 C ATOM 1668 CG TRP A 113 -1.849 -10.520 -4.602 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -1.856 -11.856 -4.505 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -2.900 -10.197 -5.537 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -2.831 -12.416 -5.306 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.486 -11.375 -5.953 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.341 -8.951 -6.015 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.546 -11.424 -6.867 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.401 -9.016 -6.928 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.001 -10.194 -7.357 1.00 0.00 C ATOM 0 H TRP A 113 0.739 -9.674 -1.566 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.993 -8.716 -2.263 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.061 -8.541 -4.328 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.105 -9.820 -4.054 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.184 -12.424 -3.879 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.033 -13.411 -5.405 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.897 -8.017 -5.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.988 -12.359 -7.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.779 -8.086 -7.326 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -5.815 -10.161 -8.066 1.00 0.00 H new ATOM 1687 N SER A 114 -2.874 -10.829 -1.389 1.00 0.00 N ATOM 1688 CA SER A 114 -3.416 -12.033 -0.782 1.00 0.00 C ATOM 1689 C SER A 114 -3.622 -13.109 -1.850 1.00 0.00 C ATOM 1690 O SER A 114 -4.147 -12.829 -2.927 1.00 0.00 O ATOM 1691 CB SER A 114 -4.733 -11.742 -0.061 1.00 0.00 C ATOM 1692 OG SER A 114 -5.556 -12.901 0.036 1.00 0.00 O ATOM 0 H SER A 114 -3.545 -10.069 -1.502 1.00 0.00 H new ATOM 0 HA SER A 114 -2.701 -12.395 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.523 -11.362 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.272 -10.958 -0.593 1.00 0.00 H new ATOM 0 HG SER A 114 -6.387 -12.674 0.504 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.199 -14.319 -1.514 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.331 -15.439 -2.431 1.00 0.00 C ATOM 1700 C GLY A 115 -2.476 -16.624 -1.976 1.00 0.00 C ATOM 1701 O GLY A 115 -1.600 -16.471 -1.127 1.00 0.00 O ATOM 0 H GLY A 115 -2.765 -14.548 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.376 -15.742 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.029 -15.131 -3.432 1.00 0.00 H new ATOM 1705 N PRO A 116 -2.768 -17.808 -2.578 1.00 0.00 N ATOM 1706 CA PRO A 116 -2.035 -19.017 -2.244 1.00 0.00 C ATOM 1707 C PRO A 116 -0.639 -19.004 -2.870 1.00 0.00 C ATOM 1708 O PRO A 116 -0.447 -18.456 -3.955 1.00 0.00 O ATOM 1709 CB PRO A 116 -2.904 -20.156 -2.753 1.00 0.00 C ATOM 1710 CG PRO A 116 -3.858 -19.535 -3.760 1.00 0.00 C ATOM 1711 CD PRO A 116 -3.799 -18.026 -3.588 1.00 0.00 C ATOM 0 HA PRO A 116 -1.855 -19.118 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -2.297 -20.933 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -3.451 -20.626 -1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -3.577 -19.815 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.873 -19.898 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.546 -17.530 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.760 -17.626 -3.265 1.00 0.00 H new ATOM 1719 N SER A 117 0.299 -19.613 -2.160 1.00 0.00 N ATOM 1720 CA SER A 117 1.671 -19.678 -2.633 1.00 0.00 C ATOM 1721 C SER A 117 2.503 -20.565 -1.704 1.00 0.00 C ATOM 1722 O SER A 117 2.656 -20.261 -0.522 1.00 0.00 O ATOM 1723 CB SER A 117 2.288 -18.281 -2.725 1.00 0.00 C ATOM 1724 OG SER A 117 2.540 -17.897 -4.074 1.00 0.00 O ATOM 0 H SER A 117 0.136 -20.066 -1.261 1.00 0.00 H new ATOM 0 HA SER A 117 1.668 -20.112 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.618 -17.557 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.221 -18.259 -2.161 1.00 0.00 H new ATOM 0 HG SER A 117 1.700 -17.904 -4.578 1.00 0.00 H new ATOM 1730 N SER A 118 3.018 -21.645 -2.275 1.00 0.00 N ATOM 1731 CA SER A 118 3.830 -22.578 -1.513 1.00 0.00 C ATOM 1732 C SER A 118 4.712 -23.396 -2.458 1.00 0.00 C ATOM 1733 O SER A 118 5.937 -23.378 -2.342 1.00 0.00 O ATOM 1734 CB SER A 118 2.956 -23.505 -0.667 1.00 0.00 C ATOM 1735 OG SER A 118 3.664 -24.032 0.452 1.00 0.00 O ATOM 0 H SER A 118 2.888 -21.894 -3.256 1.00 0.00 H new ATOM 0 HA SER A 118 4.465 -22.006 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 118 2.080 -22.958 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 118 2.593 -24.326 -1.286 1.00 0.00 H new ATOM 0 HG SER A 118 3.071 -24.618 0.968 1.00 0.00 H new ATOM 1741 N GLY A 119 4.055 -24.095 -3.373 1.00 0.00 N ATOM 1742 CA GLY A 119 4.764 -24.918 -4.337 1.00 0.00 C ATOM 1743 C GLY A 119 4.891 -24.201 -5.683 1.00 0.00 C ATOM 1744 O GLY A 119 5.960 -23.697 -6.024 1.00 0.00 O ATOM 0 H GLY A 119 3.039 -24.108 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.756 -25.159 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.236 -25.862 -4.472 1.00 0.00 H new TER 1748 GLY A 119