USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 993 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 93 THR OG1 : rot 31:sc= 0.907 USER MOD Set 1.2: A 111 GLN : amide:sc= -5.79! C(o=-4.9!,f=-2.1!) USER MOD Set 2.1: A 102 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 2.2: A 107 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.11) USER MOD Single : A 4 THR OG1 : rot 46:sc= 0.103 USER MOD Single : A 9 MET CE :methyl -129:sc= 0 (180deg=-0.378) USER MOD Single : A 12 ASN : amide:sc= -1.52! C(o=-1.5!,f=-5.4!) USER MOD Single : A 20 THR OG1 : rot 64:sc= 0.303 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.825 (180deg=-0.942) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= -3.73! (180deg=-6.16!) USER MOD Single : A 27 CYS SG : rot 113:sc= -4.05! USER MOD Single : A 30 SER OG : rot 106:sc= 1.33 USER MOD Single : A 32 SER OG : rot -170:sc= -0.0512 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 34 MET CE :methyl -143:sc= -1.04 (180deg=-4.56!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0768 K(o=-0.077,f=0.74) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= -1.59 (180deg=-1.92) USER MOD Single : A 56 GLN : amide:sc= -1 K(o=-1,f=-0.086) USER MOD Single : A 59 GLN : amide:sc= -2.27 K(o=-2.3,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0199) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.0181 (180deg=0.0111) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.639 K(o=-0.64,f=-1.8) USER MOD Single : A 82 SER OG : rot 180:sc= -0.276 USER MOD Single : A 92 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.032) USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 18:sc= -2.42! USER MOD Single : A 122 LYS NZ :NH3+ 139:sc= -3.78! (180deg=-6.2!) USER MOD Single : A 123 MET CE :methyl 151:sc= -0.0884 (180deg=-2.07!) USER MOD Single : A 124 THR OG1 : rot -150:sc= -0.448 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.888 4.151 14.380 1.00 0.00 N ATOM 22 CA LEU A 3 -14.744 4.818 13.721 1.00 0.00 C ATOM 23 C LEU A 3 -13.548 4.989 14.675 1.00 0.00 C ATOM 24 O LEU A 3 -12.942 6.064 14.745 1.00 0.00 O ATOM 25 CB LEU A 3 -15.165 6.185 13.127 1.00 0.00 C ATOM 26 CG LEU A 3 -16.063 6.126 11.886 1.00 0.00 C ATOM 27 CD1 LEU A 3 -17.523 5.907 12.269 1.00 0.00 C ATOM 28 CD2 LEU A 3 -15.917 7.401 11.069 1.00 0.00 C ATOM 0 HA LEU A 3 -14.423 4.169 12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.683 6.752 13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.263 6.743 12.873 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.744 5.278 11.280 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.134 5.870 11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.620 4.967 12.812 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.860 6.728 12.902 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.560 7.346 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.206 8.258 11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.880 7.514 10.753 1.00 0.00 H new ATOM 40 N THR A 4 -13.228 3.914 15.416 1.00 0.00 N ATOM 41 CA THR A 4 -12.102 3.906 16.365 1.00 0.00 C ATOM 42 C THR A 4 -11.606 2.481 16.613 1.00 0.00 C ATOM 43 O THR A 4 -12.253 1.705 17.327 1.00 0.00 O ATOM 44 CB THR A 4 -12.468 4.542 17.734 1.00 0.00 C ATOM 45 OG1 THR A 4 -13.759 4.087 18.158 1.00 0.00 O ATOM 46 CG2 THR A 4 -12.458 6.063 17.672 1.00 0.00 C ATOM 0 H THR A 4 -13.739 3.032 15.375 1.00 0.00 H new ATOM 0 HA THR A 4 -11.318 4.506 15.902 1.00 0.00 H new ATOM 0 HB THR A 4 -11.711 4.229 18.453 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.821 3.117 18.033 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.719 6.469 18.649 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.464 6.409 17.389 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.184 6.402 16.933 1.00 0.00 H new ATOM 54 N GLY A 5 -10.466 2.138 16.003 1.00 0.00 N ATOM 55 CA GLY A 5 -9.896 0.811 16.179 1.00 0.00 C ATOM 56 C GLY A 5 -8.394 0.759 15.948 1.00 0.00 C ATOM 57 O GLY A 5 -7.634 1.445 16.639 1.00 0.00 O ATOM 0 H GLY A 5 -9.931 2.756 15.393 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.112 0.463 17.189 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.385 0.120 15.492 1.00 0.00 H new ATOM 61 N ALA A 6 -7.972 -0.057 14.972 1.00 0.00 N ATOM 62 CA ALA A 6 -6.551 -0.233 14.655 1.00 0.00 C ATOM 63 C ALA A 6 -6.145 0.385 13.308 1.00 0.00 C ATOM 64 O ALA A 6 -4.948 0.493 13.020 1.00 0.00 O ATOM 65 CB ALA A 6 -6.201 -1.715 14.679 1.00 0.00 C ATOM 0 H ALA A 6 -8.600 -0.608 14.386 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.988 0.302 15.420 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.145 -1.843 14.443 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.403 -2.121 15.670 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.804 -2.243 13.941 1.00 0.00 H new ATOM 71 N LEU A 7 -7.129 0.796 12.490 1.00 0.00 N ATOM 72 CA LEU A 7 -6.842 1.405 11.188 1.00 0.00 C ATOM 73 C LEU A 7 -6.798 2.922 11.331 1.00 0.00 C ATOM 74 O LEU A 7 -7.655 3.645 10.803 1.00 0.00 O ATOM 75 CB LEU A 7 -7.885 0.992 10.138 1.00 0.00 C ATOM 76 CG LEU A 7 -7.404 -0.017 9.090 1.00 0.00 C ATOM 77 CD1 LEU A 7 -8.588 -0.765 8.499 1.00 0.00 C ATOM 78 CD2 LEU A 7 -6.615 0.678 7.985 1.00 0.00 C ATOM 0 H LEU A 7 -8.122 0.717 12.709 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.871 1.048 10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.747 0.570 10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.230 1.888 9.622 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.744 -0.731 9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.233 -1.479 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.114 -1.297 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.267 -0.056 8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.285 -0.060 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.249 1.416 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.746 1.175 8.416 1.00 0.00 H new ATOM 90 N ALA A 8 -5.779 3.408 12.071 1.00 0.00 N ATOM 91 CA ALA A 8 -5.612 4.847 12.363 1.00 0.00 C ATOM 92 C ALA A 8 -6.863 5.373 13.088 1.00 0.00 C ATOM 93 O ALA A 8 -7.221 6.553 12.987 1.00 0.00 O ATOM 94 CB ALA A 8 -5.318 5.647 11.087 1.00 0.00 C ATOM 0 H ALA A 8 -5.054 2.819 12.480 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.750 4.977 13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.201 6.701 11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.400 5.278 10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.144 5.530 10.386 1.00 0.00 H new ATOM 100 N MET A 9 -7.511 4.444 13.838 1.00 0.00 N ATOM 101 CA MET A 9 -8.750 4.690 14.603 1.00 0.00 C ATOM 102 C MET A 9 -9.969 4.713 13.659 1.00 0.00 C ATOM 103 O MET A 9 -10.811 5.609 13.734 1.00 0.00 O ATOM 104 CB MET A 9 -8.668 5.980 15.459 1.00 0.00 C ATOM 105 CG MET A 9 -7.577 5.942 16.524 1.00 0.00 C ATOM 106 SD MET A 9 -7.390 7.509 17.403 1.00 0.00 S ATOM 107 CE MET A 9 -8.715 7.403 18.605 1.00 0.00 C ATOM 0 H MET A 9 -7.175 3.485 13.926 1.00 0.00 H new ATOM 0 HA MET A 9 -8.873 3.865 15.304 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.492 6.831 14.801 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.630 6.146 15.943 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.806 5.155 17.242 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.629 5.680 16.055 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.316 8.311 18.565 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.343 6.541 18.379 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.292 7.292 19.604 1.00 0.00 H new ATOM 117 N ARG A 10 -10.033 3.714 12.746 1.00 0.00 N ATOM 118 CA ARG A 10 -11.140 3.589 11.761 1.00 0.00 C ATOM 119 C ARG A 10 -11.386 2.127 11.341 1.00 0.00 C ATOM 120 O ARG A 10 -12.187 1.863 10.439 1.00 0.00 O ATOM 121 CB ARG A 10 -10.858 4.430 10.500 1.00 0.00 C ATOM 122 CG ARG A 10 -10.830 5.935 10.727 1.00 0.00 C ATOM 123 CD ARG A 10 -10.000 6.635 9.666 1.00 0.00 C ATOM 124 NE ARG A 10 -9.969 8.089 9.861 1.00 0.00 N ATOM 125 CZ ARG A 10 -9.290 8.949 9.088 1.00 0.00 C ATOM 126 NH1 ARG A 10 -8.570 8.524 8.052 1.00 0.00 N ATOM 127 NH2 ARG A 10 -9.334 10.247 9.358 1.00 0.00 N ATOM 0 H ARG A 10 -9.329 2.980 12.670 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.035 3.961 12.260 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.899 4.122 10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.618 4.204 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.847 6.326 10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.419 6.149 11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.982 6.245 9.686 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.408 6.410 8.680 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.502 8.473 10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.528 7.528 7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.060 9.194 7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.882 10.585 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.820 10.907 8.774 1.00 0.00 H new ATOM 141 N LEU A 11 -10.716 1.177 12.010 1.00 0.00 N ATOM 142 CA LEU A 11 -10.876 -0.277 11.735 1.00 0.00 C ATOM 143 C LEU A 11 -12.343 -0.726 11.892 1.00 0.00 C ATOM 144 O LEU A 11 -12.696 -1.848 11.517 1.00 0.00 O ATOM 145 CB LEU A 11 -9.918 -1.046 12.686 1.00 0.00 C ATOM 146 CG LEU A 11 -9.959 -2.604 12.766 1.00 0.00 C ATOM 147 CD1 LEU A 11 -11.065 -3.091 13.695 1.00 0.00 C ATOM 148 CD2 LEU A 11 -10.083 -3.258 11.391 1.00 0.00 C ATOM 0 H LEU A 11 -10.050 1.383 12.754 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.614 -0.497 10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.901 -0.765 12.413 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.094 -0.668 13.693 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.001 -2.912 13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.062 -4.181 13.725 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.896 -2.700 14.698 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.030 -2.741 13.327 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.107 -4.342 11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.002 -2.923 10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.228 -2.977 10.776 1.00 0.00 H new ATOM 160 N ASN A 12 -13.199 0.168 12.415 1.00 0.00 N ATOM 161 CA ASN A 12 -14.619 -0.127 12.593 1.00 0.00 C ATOM 162 C ASN A 12 -15.287 -0.359 11.252 1.00 0.00 C ATOM 163 O ASN A 12 -14.928 0.243 10.239 1.00 0.00 O ATOM 164 CB ASN A 12 -15.332 0.996 13.351 1.00 0.00 C ATOM 165 CG ASN A 12 -14.834 1.154 14.780 1.00 0.00 C ATOM 166 OD1 ASN A 12 -13.640 1.031 15.055 1.00 0.00 O ATOM 167 ND2 ASN A 12 -15.753 1.415 15.700 1.00 0.00 N ATOM 0 H ASN A 12 -12.925 1.102 12.721 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.695 -1.037 13.188 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.191 1.935 12.816 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.403 0.795 13.365 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.481 1.521 16.677 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.732 1.509 15.430 1.00 0.00 H new ATOM 174 N ASP A 13 -16.260 -1.246 11.301 1.00 0.00 N ATOM 175 CA ASP A 13 -17.057 -1.699 10.155 1.00 0.00 C ATOM 176 C ASP A 13 -17.491 -0.592 9.174 1.00 0.00 C ATOM 177 O ASP A 13 -17.636 -0.871 7.986 1.00 0.00 O ATOM 178 CB ASP A 13 -18.268 -2.463 10.703 1.00 0.00 C ATOM 179 CG ASP A 13 -19.135 -3.107 9.629 1.00 0.00 C ATOM 180 OD1 ASP A 13 -18.867 -4.274 9.272 1.00 0.00 O ATOM 181 OD2 ASP A 13 -20.078 -2.444 9.151 1.00 0.00 O ATOM 0 H ASP A 13 -16.537 -1.696 12.173 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.417 -2.339 9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.917 -3.238 11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.882 -1.778 11.288 1.00 0.00 H new ATOM 186 N GLU A 14 -17.688 0.644 9.647 1.00 0.00 N ATOM 187 CA GLU A 14 -18.094 1.742 8.754 1.00 0.00 C ATOM 188 C GLU A 14 -16.977 2.095 7.777 1.00 0.00 C ATOM 189 O GLU A 14 -17.164 2.067 6.550 1.00 0.00 O ATOM 190 CB GLU A 14 -18.489 2.988 9.560 1.00 0.00 C ATOM 191 CG GLU A 14 -19.920 2.942 10.058 1.00 0.00 C ATOM 192 CD GLU A 14 -20.283 4.141 10.911 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.424 3.973 12.140 1.00 0.00 O ATOM 194 OE2 GLU A 14 -20.427 5.247 10.351 1.00 0.00 O ATOM 0 H GLU A 14 -17.576 0.909 10.626 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.960 1.399 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.817 3.091 10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.355 3.874 8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.596 2.891 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.069 2.031 10.637 1.00 0.00 H new ATOM 201 N ASP A 15 -15.790 2.316 8.336 1.00 0.00 N ATOM 202 CA ASP A 15 -14.632 2.702 7.552 1.00 0.00 C ATOM 203 C ASP A 15 -13.963 1.481 6.976 1.00 0.00 C ATOM 204 O ASP A 15 -13.310 1.566 5.956 1.00 0.00 O ATOM 205 CB ASP A 15 -13.645 3.477 8.412 1.00 0.00 C ATOM 206 CG ASP A 15 -14.094 4.902 8.674 1.00 0.00 C ATOM 207 OD1 ASP A 15 -13.341 5.835 8.322 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.199 5.086 9.224 1.00 0.00 O ATOM 0 H ASP A 15 -15.610 2.232 9.336 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.965 3.342 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.514 2.961 9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.673 3.491 7.920 1.00 0.00 H new ATOM 213 N LEU A 16 -14.180 0.346 7.637 1.00 0.00 N ATOM 214 CA LEU A 16 -13.619 -0.935 7.233 1.00 0.00 C ATOM 215 C LEU A 16 -14.374 -1.508 6.037 1.00 0.00 C ATOM 216 O LEU A 16 -13.787 -2.211 5.221 1.00 0.00 O ATOM 217 CB LEU A 16 -13.640 -1.884 8.426 1.00 0.00 C ATOM 218 CG LEU A 16 -13.358 -3.367 8.139 1.00 0.00 C ATOM 219 CD1 LEU A 16 -11.889 -3.600 7.832 1.00 0.00 C ATOM 220 CD2 LEU A 16 -13.802 -4.204 9.315 1.00 0.00 C ATOM 0 H LEU A 16 -14.757 0.293 8.477 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.586 -0.799 6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.906 -1.533 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.618 -1.810 8.901 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.924 -3.665 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.722 -4.659 7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.603 -3.017 6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.286 -3.291 8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.601 -5.255 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.255 -3.898 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.871 -4.064 9.479 1.00 0.00 H new ATOM 232 N ASP A 17 -15.679 -1.218 5.963 1.00 0.00 N ATOM 233 CA ASP A 17 -16.510 -1.651 4.839 1.00 0.00 C ATOM 234 C ASP A 17 -16.264 -0.701 3.664 1.00 0.00 C ATOM 235 O ASP A 17 -15.856 -1.124 2.557 1.00 0.00 O ATOM 236 CB ASP A 17 -17.988 -1.654 5.237 1.00 0.00 C ATOM 237 CG ASP A 17 -18.798 -2.691 4.481 1.00 0.00 C ATOM 238 OD1 ASP A 17 -18.902 -3.836 4.970 1.00 0.00 O ATOM 239 OD2 ASP A 17 -19.329 -2.358 3.400 1.00 0.00 O ATOM 0 H ASP A 17 -16.181 -0.683 6.672 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.246 -2.668 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.071 -1.844 6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.411 -0.666 5.055 1.00 0.00 H new ATOM 244 N PHE A 18 -16.436 0.613 3.933 1.00 0.00 N ATOM 245 CA PHE A 18 -16.196 1.626 2.913 1.00 0.00 C ATOM 246 C PHE A 18 -14.699 1.644 2.535 1.00 0.00 C ATOM 247 O PHE A 18 -14.315 2.216 1.516 1.00 0.00 O ATOM 248 CB PHE A 18 -16.741 3.004 3.344 1.00 0.00 C ATOM 249 CG PHE A 18 -18.253 3.056 3.409 1.00 0.00 C ATOM 250 CD1 PHE A 18 -19.018 2.980 2.249 1.00 0.00 C ATOM 251 CD2 PHE A 18 -18.909 3.176 4.623 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.397 3.021 2.305 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.289 3.218 4.684 1.00 0.00 C ATOM 254 CZ PHE A 18 -21.034 3.139 3.524 1.00 0.00 C ATOM 0 H PHE A 18 -16.735 0.980 4.836 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.751 1.369 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.333 3.259 4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.388 3.762 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.526 2.888 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.334 3.238 5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.977 2.961 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.785 3.313 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.113 3.169 3.570 1.00 0.00 H new ATOM 264 N LEU A 19 -13.866 1.039 3.416 1.00 0.00 N ATOM 265 CA LEU A 19 -12.426 0.847 3.178 1.00 0.00 C ATOM 266 C LEU A 19 -12.213 -0.466 2.400 1.00 0.00 C ATOM 267 O LEU A 19 -11.343 -0.553 1.533 1.00 0.00 O ATOM 268 CB LEU A 19 -11.650 0.731 4.513 1.00 0.00 C ATOM 269 CG LEU A 19 -10.158 1.182 4.563 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.455 1.149 3.205 1.00 0.00 C ATOM 271 CD2 LEU A 19 -10.039 2.567 5.183 1.00 0.00 C ATOM 0 H LEU A 19 -14.181 0.671 4.314 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.060 1.707 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.193 1.309 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.689 -0.312 4.826 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.647 0.451 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.422 1.476 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.472 0.133 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.970 1.815 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.991 2.865 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.605 3.283 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.436 2.547 6.198 1.00 0.00 H new ATOM 283 N THR A 20 -13.033 -1.491 2.742 1.00 0.00 N ATOM 284 CA THR A 20 -12.943 -2.833 2.135 1.00 0.00 C ATOM 285 C THR A 20 -13.364 -2.852 0.660 1.00 0.00 C ATOM 286 O THR A 20 -13.107 -3.832 -0.043 1.00 0.00 O ATOM 287 CB THR A 20 -13.755 -3.889 2.945 1.00 0.00 C ATOM 288 OG1 THR A 20 -13.133 -5.172 2.824 1.00 0.00 O ATOM 289 CG2 THR A 20 -15.217 -4.003 2.503 1.00 0.00 C ATOM 0 H THR A 20 -13.769 -1.407 3.443 1.00 0.00 H new ATOM 0 HA THR A 20 -11.888 -3.104 2.173 1.00 0.00 H new ATOM 0 HB THR A 20 -13.756 -3.548 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.244 -5.145 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.722 -4.755 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.712 -3.041 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.258 -4.294 1.453 1.00 0.00 H new ATOM 297 N LYS A 21 -14.029 -1.768 0.225 1.00 0.00 N ATOM 298 CA LYS A 21 -14.488 -1.587 -1.181 1.00 0.00 C ATOM 299 C LYS A 21 -13.567 -2.231 -2.244 1.00 0.00 C ATOM 300 O LYS A 21 -14.054 -2.831 -3.207 1.00 0.00 O ATOM 301 CB LYS A 21 -14.616 -0.080 -1.508 1.00 0.00 C ATOM 302 CG LYS A 21 -13.534 0.823 -0.916 1.00 0.00 C ATOM 303 CD LYS A 21 -12.267 0.837 -1.754 1.00 0.00 C ATOM 304 CE LYS A 21 -11.066 1.154 -0.897 1.00 0.00 C ATOM 305 NZ LYS A 21 -9.792 1.086 -1.663 1.00 0.00 N ATOM 0 H LYS A 21 -14.269 -0.985 0.833 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.449 -2.098 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.610 0.039 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.587 0.268 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.920 1.839 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.295 0.486 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.132 -0.132 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.359 1.577 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.179 2.151 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.023 0.454 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.989 1.091 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.772 0.212 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.724 1.908 -2.297 1.00 0.00 H new ATOM 319 N TRP A 22 -12.243 -2.096 -2.052 1.00 0.00 N ATOM 320 CA TRP A 22 -11.235 -2.621 -2.988 1.00 0.00 C ATOM 321 C TRP A 22 -9.852 -2.647 -2.314 1.00 0.00 C ATOM 322 O TRP A 22 -9.728 -2.262 -1.149 1.00 0.00 O ATOM 323 CB TRP A 22 -11.207 -1.745 -4.259 1.00 0.00 C ATOM 324 CG TRP A 22 -10.969 -2.510 -5.532 1.00 0.00 C ATOM 325 CD1 TRP A 22 -9.875 -2.424 -6.343 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.852 -3.464 -6.150 1.00 0.00 C ATOM 327 NE1 TRP A 22 -10.018 -3.263 -7.421 1.00 0.00 N ATOM 328 CE2 TRP A 22 -11.220 -3.913 -7.325 1.00 0.00 C ATOM 329 CE3 TRP A 22 -13.111 -3.984 -5.824 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -11.802 -4.853 -8.173 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.686 -4.917 -6.667 1.00 0.00 C ATOM 332 CH2 TRP A 22 -13.032 -5.343 -7.828 1.00 0.00 C ATOM 0 H TRP A 22 -11.842 -1.620 -1.244 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.496 -3.641 -3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -12.155 -1.213 -4.340 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.427 -0.992 -4.150 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.021 -1.788 -6.163 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.338 -3.383 -8.172 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.624 -3.662 -4.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.300 -5.183 -9.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.657 -5.324 -6.425 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -13.508 -6.074 -8.465 1.00 0.00 H new ATOM 343 N THR A 23 -8.817 -3.088 -3.046 1.00 0.00 N ATOM 344 CA THR A 23 -7.455 -3.160 -2.502 1.00 0.00 C ATOM 345 C THR A 23 -6.567 -2.077 -3.107 1.00 0.00 C ATOM 346 O THR A 23 -7.002 -1.342 -3.994 1.00 0.00 O ATOM 347 CB THR A 23 -6.812 -4.545 -2.704 1.00 0.00 C ATOM 348 OG1 THR A 23 -7.773 -5.498 -3.176 1.00 0.00 O ATOM 349 CG2 THR A 23 -6.240 -5.014 -1.385 1.00 0.00 C ATOM 0 H THR A 23 -8.899 -3.399 -4.014 1.00 0.00 H new ATOM 0 HA THR A 23 -7.541 -2.992 -1.428 1.00 0.00 H new ATOM 0 HB THR A 23 -6.024 -4.461 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.339 -6.368 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.782 -5.994 -1.515 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.487 -4.304 -1.042 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.038 -5.082 -0.646 1.00 0.00 H new ATOM 357 N ASP A 24 -5.316 -1.999 -2.644 1.00 0.00 N ATOM 358 CA ASP A 24 -4.388 -0.970 -3.106 1.00 0.00 C ATOM 359 C ASP A 24 -3.218 -1.573 -3.885 1.00 0.00 C ATOM 360 O ASP A 24 -2.222 -0.890 -4.155 1.00 0.00 O ATOM 361 CB ASP A 24 -3.871 -0.176 -1.905 1.00 0.00 C ATOM 362 CG ASP A 24 -4.956 0.646 -1.231 1.00 0.00 C ATOM 363 OD1 ASP A 24 -5.102 1.836 -1.578 1.00 0.00 O ATOM 364 OD2 ASP A 24 -5.659 0.097 -0.356 1.00 0.00 O ATOM 0 H ASP A 24 -4.926 -2.637 -1.950 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.924 -0.306 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.439 -0.865 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.069 0.487 -2.231 1.00 0.00 H new ATOM 369 N PHE A 25 -3.354 -2.843 -4.274 1.00 0.00 N ATOM 370 CA PHE A 25 -2.300 -3.532 -5.005 1.00 0.00 C ATOM 371 C PHE A 25 -2.712 -3.758 -6.463 1.00 0.00 C ATOM 372 O PHE A 25 -2.701 -4.867 -7.003 1.00 0.00 O ATOM 373 CB PHE A 25 -1.989 -4.814 -4.233 1.00 0.00 C ATOM 374 CG PHE A 25 -0.774 -5.632 -4.622 1.00 0.00 C ATOM 375 CD1 PHE A 25 -0.762 -6.399 -5.780 1.00 0.00 C ATOM 376 CD2 PHE A 25 0.339 -5.674 -3.793 1.00 0.00 C ATOM 377 CE1 PHE A 25 0.332 -7.179 -6.105 1.00 0.00 C ATOM 378 CE2 PHE A 25 1.438 -6.448 -4.117 1.00 0.00 C ATOM 379 CZ PHE A 25 1.434 -7.202 -5.274 1.00 0.00 C ATOM 0 H PHE A 25 -4.183 -3.409 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.388 -2.939 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.882 -4.547 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.861 -5.464 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.620 -6.386 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.346 -5.094 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.325 -7.770 -7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.299 -6.463 -3.465 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.291 -7.808 -5.528 1.00 0.00 H new ATOM 389 N LYS A 26 -3.090 -2.643 -7.063 1.00 0.00 N ATOM 390 CA LYS A 26 -3.397 -2.535 -8.476 1.00 0.00 C ATOM 391 C LYS A 26 -2.497 -1.417 -8.986 1.00 0.00 C ATOM 392 O LYS A 26 -2.503 -1.053 -10.165 1.00 0.00 O ATOM 393 CB LYS A 26 -4.911 -2.265 -8.748 1.00 0.00 C ATOM 394 CG LYS A 26 -5.369 -0.788 -8.750 1.00 0.00 C ATOM 395 CD LYS A 26 -5.639 -0.224 -7.348 1.00 0.00 C ATOM 396 CE LYS A 26 -4.357 -0.021 -6.540 1.00 0.00 C ATOM 397 NZ LYS A 26 -4.166 1.369 -6.047 1.00 0.00 N ATOM 0 H LYS A 26 -3.195 -1.760 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.209 -3.472 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.165 -2.700 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.491 -2.799 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.605 -0.181 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.275 -0.699 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.162 0.728 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.301 -0.902 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.366 -0.700 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.503 -0.297 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.193 1.677 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.835 2.003 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.336 1.400 -5.022 1.00 0.00 H new ATOM 411 N CYS A 27 -1.717 -0.898 -8.022 1.00 0.00 N ATOM 412 CA CYS A 27 -0.789 0.174 -8.231 1.00 0.00 C ATOM 413 C CYS A 27 0.599 -0.254 -7.791 1.00 0.00 C ATOM 414 O CYS A 27 0.804 -0.710 -6.632 1.00 0.00 O ATOM 415 CB CYS A 27 -1.232 1.413 -7.442 1.00 0.00 C ATOM 416 SG CYS A 27 -0.063 2.793 -7.505 1.00 0.00 S ATOM 0 H CYS A 27 -1.732 -1.236 -7.060 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.765 0.422 -9.292 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.195 1.750 -7.827 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.387 1.130 -6.401 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.596 3.784 -8.156 1.00 0.00 H new ATOM 422 N PHE A 28 1.523 -0.126 -8.752 1.00 0.00 N ATOM 423 CA PHE A 28 2.933 -0.420 -8.559 1.00 0.00 C ATOM 424 C PHE A 28 3.619 0.852 -8.112 1.00 0.00 C ATOM 425 O PHE A 28 3.563 1.861 -8.807 1.00 0.00 O ATOM 426 CB PHE A 28 3.559 -0.928 -9.870 1.00 0.00 C ATOM 427 CG PHE A 28 3.109 -2.307 -10.284 1.00 0.00 C ATOM 428 CD1 PHE A 28 1.846 -2.512 -10.824 1.00 0.00 C ATOM 429 CD2 PHE A 28 3.954 -3.396 -10.140 1.00 0.00 C ATOM 430 CE1 PHE A 28 1.437 -3.775 -11.208 1.00 0.00 C ATOM 431 CE2 PHE A 28 3.549 -4.661 -10.522 1.00 0.00 C ATOM 432 CZ PHE A 28 2.290 -4.851 -11.056 1.00 0.00 C ATOM 0 H PHE A 28 1.300 0.190 -9.696 1.00 0.00 H new ATOM 0 HA PHE A 28 3.053 -1.199 -7.806 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.319 -0.226 -10.669 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.644 -0.930 -9.763 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.175 -1.674 -10.945 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.941 -3.254 -9.724 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.452 -3.921 -11.626 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.217 -5.501 -10.403 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.973 -5.839 -11.354 1.00 0.00 H new ATOM 442 N VAL A 29 4.283 0.807 -6.970 1.00 0.00 N ATOM 443 CA VAL A 29 4.954 1.991 -6.468 1.00 0.00 C ATOM 444 C VAL A 29 6.445 1.906 -6.797 1.00 0.00 C ATOM 445 O VAL A 29 7.072 0.836 -6.676 1.00 0.00 O ATOM 446 CB VAL A 29 4.624 2.233 -4.959 1.00 0.00 C ATOM 447 CG1 VAL A 29 5.761 2.901 -4.183 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.368 3.083 -4.850 1.00 0.00 C ATOM 0 H VAL A 29 4.371 -0.022 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 29 4.579 2.883 -6.970 1.00 0.00 H new ATOM 0 HB VAL A 29 4.475 1.252 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.461 3.038 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.649 2.271 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.983 3.871 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.134 3.254 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.532 4.040 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.536 2.565 -5.327 1.00 0.00 H new ATOM 458 N SER A 30 6.983 3.100 -7.124 1.00 0.00 N ATOM 459 CA SER A 30 8.352 3.331 -7.634 1.00 0.00 C ATOM 460 C SER A 30 9.349 2.218 -7.382 1.00 0.00 C ATOM 461 O SER A 30 10.050 2.163 -6.368 1.00 0.00 O ATOM 462 CB SER A 30 8.885 4.670 -7.106 1.00 0.00 C ATOM 463 OG SER A 30 8.603 4.828 -5.726 1.00 0.00 O ATOM 0 H SER A 30 6.453 3.967 -7.036 1.00 0.00 H new ATOM 0 HA SER A 30 8.251 3.354 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.961 4.725 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.436 5.489 -7.667 1.00 0.00 H new ATOM 0 HG SER A 30 9.426 4.706 -5.208 1.00 0.00 H new ATOM 469 N ALA A 31 9.405 1.358 -8.406 1.00 0.00 N ATOM 470 CA ALA A 31 10.287 0.204 -8.460 1.00 0.00 C ATOM 471 C ALA A 31 11.685 0.650 -8.862 1.00 0.00 C ATOM 472 O ALA A 31 12.678 0.019 -8.487 1.00 0.00 O ATOM 473 CB ALA A 31 9.706 -0.794 -9.417 1.00 0.00 C ATOM 0 H ALA A 31 8.821 1.455 -9.236 1.00 0.00 H new ATOM 0 HA ALA A 31 10.372 -0.272 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.355 -1.668 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.718 -1.097 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.622 -0.344 -10.406 1.00 0.00 H new ATOM 479 N SER A 32 11.723 1.731 -9.674 1.00 0.00 N ATOM 480 CA SER A 32 12.956 2.433 -10.075 1.00 0.00 C ATOM 481 C SER A 32 13.622 1.924 -11.365 1.00 0.00 C ATOM 482 O SER A 32 13.723 2.676 -12.338 1.00 0.00 O ATOM 483 CB SER A 32 13.941 2.429 -8.912 1.00 0.00 C ATOM 484 OG SER A 32 14.793 3.562 -8.940 1.00 0.00 O ATOM 0 H SER A 32 10.881 2.144 -10.074 1.00 0.00 H new ATOM 0 HA SER A 32 12.651 3.450 -10.322 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.392 2.410 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.543 1.521 -8.948 1.00 0.00 H new ATOM 0 HG SER A 32 15.509 3.450 -8.280 1.00 0.00 H new ATOM 490 N ASN A 33 14.091 0.672 -11.373 1.00 0.00 N ATOM 491 CA ASN A 33 14.742 0.094 -12.552 1.00 0.00 C ATOM 492 C ASN A 33 13.690 -0.656 -13.343 1.00 0.00 C ATOM 493 O ASN A 33 13.869 -0.993 -14.517 1.00 0.00 O ATOM 494 CB ASN A 33 15.892 -0.828 -12.139 1.00 0.00 C ATOM 495 CG ASN A 33 17.208 -0.090 -11.951 1.00 0.00 C ATOM 496 OD1 ASN A 33 17.241 1.055 -11.493 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.306 -0.747 -12.305 1.00 0.00 N ATOM 0 H ASN A 33 14.032 0.039 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 33 15.175 0.881 -13.170 1.00 0.00 H new ATOM 0 HB2 ASN A 33 15.629 -1.333 -11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.020 -1.601 -12.897 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.220 -0.306 -12.202 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.236 -1.693 -12.680 1.00 0.00 H new ATOM 504 N MET A 34 12.588 -0.897 -12.639 1.00 0.00 N ATOM 505 CA MET A 34 11.411 -1.537 -13.166 1.00 0.00 C ATOM 506 C MET A 34 10.436 -0.430 -13.602 1.00 0.00 C ATOM 507 O MET A 34 9.815 -0.498 -14.664 1.00 0.00 O ATOM 508 CB MET A 34 10.810 -2.397 -12.058 1.00 0.00 C ATOM 509 CG MET A 34 9.596 -3.237 -12.433 1.00 0.00 C ATOM 510 SD MET A 34 9.870 -4.298 -13.862 1.00 0.00 S ATOM 511 CE MET A 34 9.203 -3.247 -15.144 1.00 0.00 C ATOM 0 H MET A 34 12.498 -0.640 -11.656 1.00 0.00 H new ATOM 0 HA MET A 34 11.634 -2.173 -14.023 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.586 -3.066 -11.686 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.530 -1.743 -11.232 1.00 0.00 H new ATOM 0 HG2 MET A 34 9.314 -3.855 -11.580 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.755 -2.575 -12.638 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.688 -3.859 -15.884 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.500 -2.539 -14.705 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.014 -2.701 -15.626 1.00 0.00 H new ATOM 521 N ARG A 35 10.356 0.608 -12.757 1.00 0.00 N ATOM 522 CA ARG A 35 9.511 1.758 -12.993 1.00 0.00 C ATOM 523 C ARG A 35 10.430 2.931 -13.257 1.00 0.00 C ATOM 524 O ARG A 35 11.259 3.279 -12.414 1.00 0.00 O ATOM 525 CB ARG A 35 8.617 2.004 -11.753 1.00 0.00 C ATOM 526 CG ARG A 35 7.599 3.159 -11.833 1.00 0.00 C ATOM 527 CD ARG A 35 8.222 4.559 -11.899 1.00 0.00 C ATOM 528 NE ARG A 35 9.047 4.875 -10.724 1.00 0.00 N ATOM 529 CZ ARG A 35 9.695 6.036 -10.539 1.00 0.00 C ATOM 530 NH1 ARG A 35 9.627 7.014 -11.440 1.00 0.00 N ATOM 531 NH2 ARG A 35 10.420 6.214 -9.444 1.00 0.00 N ATOM 0 H ARG A 35 10.886 0.661 -11.887 1.00 0.00 H new ATOM 0 HA ARG A 35 8.848 1.608 -13.845 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.069 1.085 -11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.268 2.187 -10.899 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.973 3.013 -12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.944 3.108 -10.964 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.834 4.637 -12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.428 5.300 -11.989 1.00 0.00 H new ATOM 0 HE ARG A 35 9.133 4.163 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.075 6.888 -12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.126 7.889 -11.281 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.483 5.471 -8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.915 7.094 -9.297 1.00 0.00 H new ATOM 545 N ASN A 36 10.233 3.564 -14.404 1.00 0.00 N ATOM 546 CA ASN A 36 11.047 4.707 -14.834 1.00 0.00 C ATOM 547 C ASN A 36 10.652 5.151 -16.254 1.00 0.00 C ATOM 548 O ASN A 36 10.864 6.309 -16.625 1.00 0.00 O ATOM 549 CB ASN A 36 12.564 4.369 -14.773 1.00 0.00 C ATOM 550 CG ASN A 36 13.468 5.552 -15.096 1.00 0.00 C ATOM 551 OD1 ASN A 36 13.825 5.777 -16.253 1.00 0.00 O ATOM 552 ND2 ASN A 36 13.840 6.310 -14.072 1.00 0.00 N ATOM 0 H ASN A 36 9.504 3.304 -15.069 1.00 0.00 H new ATOM 0 HA ASN A 36 10.856 5.531 -14.147 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.805 4.000 -13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.775 3.560 -15.472 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.446 7.116 -14.228 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.520 6.087 -13.129 1.00 0.00 H new ATOM 559 N ALA A 37 10.077 4.218 -17.036 1.00 0.00 N ATOM 560 CA ALA A 37 9.664 4.490 -18.416 1.00 0.00 C ATOM 561 C ALA A 37 8.276 5.140 -18.502 1.00 0.00 C ATOM 562 O ALA A 37 8.126 6.179 -19.152 1.00 0.00 O ATOM 563 CB ALA A 37 9.704 3.206 -19.236 1.00 0.00 C ATOM 0 H ALA A 37 9.889 3.264 -16.728 1.00 0.00 H new ATOM 0 HA ALA A 37 10.372 5.208 -18.829 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.396 3.418 -20.260 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.718 2.807 -19.238 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.027 2.473 -18.798 1.00 0.00 H new ATOM 569 N ALA A 38 7.268 4.534 -17.851 1.00 0.00 N ATOM 570 CA ALA A 38 5.907 5.076 -17.885 1.00 0.00 C ATOM 571 C ALA A 38 5.503 5.690 -16.546 1.00 0.00 C ATOM 572 O ALA A 38 5.037 6.834 -16.509 1.00 0.00 O ATOM 573 CB ALA A 38 4.919 3.994 -18.303 1.00 0.00 C ATOM 0 H ALA A 38 7.372 3.680 -17.303 1.00 0.00 H new ATOM 0 HA ALA A 38 5.888 5.877 -18.624 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.912 4.410 -18.324 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.181 3.626 -19.295 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.957 3.171 -17.589 1.00 0.00 H new ATOM 579 N GLY A 39 5.678 4.934 -15.446 1.00 0.00 N ATOM 580 CA GLY A 39 5.352 5.434 -14.116 1.00 0.00 C ATOM 581 C GLY A 39 3.884 5.750 -13.917 1.00 0.00 C ATOM 582 O GLY A 39 3.543 6.579 -13.068 1.00 0.00 O ATOM 0 H GLY A 39 6.042 3.981 -15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.657 4.694 -13.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.936 6.334 -13.925 1.00 0.00 H new ATOM 586 N GLN A 40 3.015 5.110 -14.707 1.00 0.00 N ATOM 587 CA GLN A 40 1.584 5.328 -14.576 1.00 0.00 C ATOM 588 C GLN A 40 1.014 4.376 -13.541 1.00 0.00 C ATOM 589 O GLN A 40 0.500 3.291 -13.839 1.00 0.00 O ATOM 590 CB GLN A 40 0.871 5.222 -15.916 1.00 0.00 C ATOM 591 CG GLN A 40 0.423 6.577 -16.424 1.00 0.00 C ATOM 592 CD GLN A 40 -0.639 6.482 -17.503 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.835 6.470 -17.214 1.00 0.00 O ATOM 594 NE2 GLN A 40 -0.204 6.413 -18.756 1.00 0.00 N ATOM 0 H GLN A 40 3.281 4.446 -15.434 1.00 0.00 H new ATOM 0 HA GLN A 40 1.415 6.347 -14.229 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.537 4.762 -16.646 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.006 4.567 -15.816 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.035 7.162 -15.590 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.286 7.115 -16.817 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.797 6.426 -18.950 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.871 6.347 -19.525 1.00 0.00 H new ATOM 603 N PHE A 41 1.160 4.830 -12.309 1.00 0.00 N ATOM 604 CA PHE A 41 0.739 4.110 -11.124 1.00 0.00 C ATOM 605 C PHE A 41 -0.027 5.051 -10.190 1.00 0.00 C ATOM 606 O PHE A 41 -0.965 4.638 -9.494 1.00 0.00 O ATOM 607 CB PHE A 41 1.983 3.513 -10.443 1.00 0.00 C ATOM 608 CG PHE A 41 2.918 4.518 -9.803 1.00 0.00 C ATOM 609 CD1 PHE A 41 3.923 5.117 -10.543 1.00 0.00 C ATOM 610 CD2 PHE A 41 2.789 4.852 -8.463 1.00 0.00 C ATOM 611 CE1 PHE A 41 4.782 6.031 -9.961 1.00 0.00 C ATOM 612 CE2 PHE A 41 3.644 5.766 -7.876 1.00 0.00 C ATOM 613 CZ PHE A 41 4.642 6.356 -8.626 1.00 0.00 C ATOM 0 H PHE A 41 1.586 5.733 -12.101 1.00 0.00 H new ATOM 0 HA PHE A 41 0.065 3.295 -11.388 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.655 2.809 -9.678 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.543 2.942 -11.183 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.038 4.867 -11.588 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.011 4.392 -7.871 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.562 6.490 -10.550 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.532 6.018 -6.832 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.312 7.070 -8.170 1.00 0.00 H new ATOM 623 N ILE A 42 0.389 6.335 -10.202 1.00 0.00 N ATOM 624 CA ILE A 42 -0.235 7.392 -9.395 1.00 0.00 C ATOM 625 C ILE A 42 -1.741 7.504 -9.663 1.00 0.00 C ATOM 626 O ILE A 42 -2.473 8.076 -8.852 1.00 0.00 O ATOM 627 CB ILE A 42 0.442 8.783 -9.608 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.715 9.089 -11.096 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.736 8.862 -8.813 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.422 9.807 -11.794 1.00 0.00 C ATOM 0 H ILE A 42 1.168 6.663 -10.773 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.086 7.097 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.258 9.537 -9.249 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.617 9.697 -11.172 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.916 8.154 -11.618 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.200 9.836 -8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.521 8.728 -7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.416 8.079 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.154 9.986 -12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.321 9.192 -11.751 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.610 10.760 -11.298 1.00 0.00 H new ATOM 642 N GLU A 43 -2.195 6.952 -10.811 1.00 0.00 N ATOM 643 CA GLU A 43 -3.615 6.964 -11.162 1.00 0.00 C ATOM 644 C GLU A 43 -4.421 6.147 -10.141 1.00 0.00 C ATOM 645 O GLU A 43 -5.272 6.703 -9.428 1.00 0.00 O ATOM 646 CB GLU A 43 -3.822 6.416 -12.591 1.00 0.00 C ATOM 647 CG GLU A 43 -4.250 7.470 -13.609 1.00 0.00 C ATOM 648 CD GLU A 43 -3.102 8.352 -14.073 1.00 0.00 C ATOM 649 OE1 GLU A 43 -2.946 9.461 -13.521 1.00 0.00 O ATOM 650 OE2 GLU A 43 -2.362 7.931 -14.986 1.00 0.00 O ATOM 0 H GLU A 43 -1.595 6.498 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.974 7.993 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.894 5.956 -12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.576 5.629 -12.561 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.691 6.974 -14.473 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.027 8.096 -13.170 1.00 0.00 H new ATOM 657 N ALA A 44 -4.123 4.834 -10.039 1.00 0.00 N ATOM 658 CA ALA A 44 -4.798 3.962 -9.076 1.00 0.00 C ATOM 659 C ALA A 44 -4.414 4.306 -7.635 1.00 0.00 C ATOM 660 O ALA A 44 -5.223 4.130 -6.719 1.00 0.00 O ATOM 661 CB ALA A 44 -4.469 2.512 -9.364 1.00 0.00 C ATOM 0 H ALA A 44 -3.422 4.364 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.871 4.120 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.977 1.873 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.801 2.257 -10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.392 2.361 -9.288 1.00 0.00 H new ATOM 667 N ALA A 45 -3.174 4.796 -7.441 1.00 0.00 N ATOM 668 CA ALA A 45 -2.689 5.186 -6.109 1.00 0.00 C ATOM 669 C ALA A 45 -3.506 6.352 -5.545 1.00 0.00 C ATOM 670 O ALA A 45 -3.878 6.346 -4.367 1.00 0.00 O ATOM 671 CB ALA A 45 -1.213 5.556 -6.158 1.00 0.00 C ATOM 0 H ALA A 45 -2.494 4.930 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.812 4.328 -5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.876 5.841 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.635 4.700 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.070 6.392 -6.842 1.00 0.00 H new ATOM 677 N TYR A 46 -3.807 7.332 -6.417 1.00 0.00 N ATOM 678 CA TYR A 46 -4.592 8.512 -6.038 1.00 0.00 C ATOM 679 C TYR A 46 -6.066 8.141 -5.854 1.00 0.00 C ATOM 680 O TYR A 46 -6.724 8.614 -4.919 1.00 0.00 O ATOM 681 CB TYR A 46 -4.451 9.599 -7.109 1.00 0.00 C ATOM 682 CG TYR A 46 -4.429 11.010 -6.560 1.00 0.00 C ATOM 683 CD1 TYR A 46 -3.265 11.557 -6.030 1.00 0.00 C ATOM 684 CD2 TYR A 46 -5.573 11.797 -6.576 1.00 0.00 C ATOM 685 CE1 TYR A 46 -3.244 12.846 -5.532 1.00 0.00 C ATOM 686 CE2 TYR A 46 -5.560 13.087 -6.080 1.00 0.00 C ATOM 687 CZ TYR A 46 -4.394 13.606 -5.559 1.00 0.00 C ATOM 688 OH TYR A 46 -4.377 14.890 -5.064 1.00 0.00 O ATOM 0 H TYR A 46 -3.514 7.325 -7.394 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.212 8.894 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.533 9.425 -7.669 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.277 9.508 -7.814 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.362 10.964 -6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.489 11.394 -6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.332 13.256 -5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.459 13.685 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.267 15.289 -5.159 1.00 0.00 H new ATOM 698 N ALA A 47 -6.564 7.265 -6.746 1.00 0.00 N ATOM 699 CA ALA A 47 -7.954 6.795 -6.703 1.00 0.00 C ATOM 700 C ALA A 47 -8.247 5.968 -5.447 1.00 0.00 C ATOM 701 O ALA A 47 -9.260 6.193 -4.773 1.00 0.00 O ATOM 702 CB ALA A 47 -8.259 5.976 -7.944 1.00 0.00 C ATOM 0 H ALA A 47 -6.016 6.868 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.597 7.675 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.292 5.630 -7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.115 6.592 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.590 5.117 -7.986 1.00 0.00 H new ATOM 708 N LYS A 48 -7.345 5.022 -5.125 1.00 0.00 N ATOM 709 CA LYS A 48 -7.517 4.164 -3.948 1.00 0.00 C ATOM 710 C LYS A 48 -7.277 4.938 -2.662 1.00 0.00 C ATOM 711 O LYS A 48 -7.992 4.729 -1.680 1.00 0.00 O ATOM 712 CB LYS A 48 -6.634 2.918 -4.020 1.00 0.00 C ATOM 713 CG LYS A 48 -7.076 1.914 -5.089 1.00 0.00 C ATOM 714 CD LYS A 48 -8.352 1.137 -4.721 1.00 0.00 C ATOM 715 CE LYS A 48 -9.644 1.830 -5.179 1.00 0.00 C ATOM 716 NZ LYS A 48 -9.460 2.675 -6.397 1.00 0.00 N ATOM 0 H LYS A 48 -6.498 4.837 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.553 3.825 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.607 3.222 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.636 2.425 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.243 2.445 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.267 1.204 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.304 0.143 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.386 1.000 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.402 1.073 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.022 2.452 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.389 2.977 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.893 3.513 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.970 2.124 -7.131 1.00 0.00 H new ATOM 730 N ALA A 49 -6.264 5.824 -2.667 1.00 0.00 N ATOM 731 CA ALA A 49 -5.995 6.693 -1.509 1.00 0.00 C ATOM 732 C ALA A 49 -7.253 7.516 -1.200 1.00 0.00 C ATOM 733 O ALA A 49 -7.657 7.667 -0.035 1.00 0.00 O ATOM 734 CB ALA A 49 -4.805 7.605 -1.778 1.00 0.00 C ATOM 0 H ALA A 49 -5.625 5.956 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.745 6.076 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.627 8.237 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.920 7.000 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.016 8.232 -2.644 1.00 0.00 H new ATOM 740 N LEU A 50 -7.897 8.002 -2.281 1.00 0.00 N ATOM 741 CA LEU A 50 -9.142 8.758 -2.175 1.00 0.00 C ATOM 742 C LEU A 50 -10.283 7.840 -1.722 1.00 0.00 C ATOM 743 O LEU A 50 -11.192 8.285 -1.015 1.00 0.00 O ATOM 744 CB LEU A 50 -9.484 9.439 -3.506 1.00 0.00 C ATOM 745 CG LEU A 50 -8.753 10.766 -3.763 1.00 0.00 C ATOM 746 CD1 LEU A 50 -8.628 11.029 -5.254 1.00 0.00 C ATOM 747 CD2 LEU A 50 -9.477 11.926 -3.087 1.00 0.00 C ATOM 0 H LEU A 50 -7.566 7.878 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.009 9.539 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.253 8.751 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.558 9.621 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.753 10.685 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.108 11.973 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.065 10.220 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.622 11.082 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.940 12.854 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.490 12.002 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.519 11.752 -2.012 1.00 0.00 H new ATOM 759 N ARG A 51 -10.227 6.547 -2.125 1.00 0.00 N ATOM 760 CA ARG A 51 -11.238 5.568 -1.693 1.00 0.00 C ATOM 761 C ARG A 51 -11.048 5.239 -0.208 1.00 0.00 C ATOM 762 O ARG A 51 -12.006 4.895 0.491 1.00 0.00 O ATOM 763 CB ARG A 51 -11.227 4.287 -2.535 1.00 0.00 C ATOM 764 CG ARG A 51 -11.794 4.468 -3.948 1.00 0.00 C ATOM 765 CD ARG A 51 -12.704 3.309 -4.399 1.00 0.00 C ATOM 766 NE ARG A 51 -13.766 2.957 -3.445 1.00 0.00 N ATOM 767 CZ ARG A 51 -15.044 2.696 -3.784 1.00 0.00 C ATOM 768 NH1 ARG A 51 -15.448 2.743 -5.050 1.00 0.00 N ATOM 769 NH2 ARG A 51 -15.927 2.410 -2.838 1.00 0.00 N ATOM 0 H ARG A 51 -9.504 6.169 -2.737 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.215 6.028 -1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.203 3.921 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.803 3.519 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.359 5.399 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.968 4.566 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.163 3.574 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.087 2.428 -4.577 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.518 2.907 -2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.785 2.980 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.420 2.542 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.638 2.388 -1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.896 2.212 -3.088 1.00 0.00 H new ATOM 783 N ILE A 52 -9.792 5.349 0.270 1.00 0.00 N ATOM 784 CA ILE A 52 -9.479 5.150 1.694 1.00 0.00 C ATOM 785 C ILE A 52 -10.081 6.338 2.455 1.00 0.00 C ATOM 786 O ILE A 52 -10.547 6.203 3.590 1.00 0.00 O ATOM 787 CB ILE A 52 -7.944 5.040 1.968 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.337 3.876 1.157 1.00 0.00 C ATOM 789 CG2 ILE A 52 -7.667 4.839 3.466 1.00 0.00 C ATOM 790 CD1 ILE A 52 -5.834 3.966 0.949 1.00 0.00 C ATOM 0 H ILE A 52 -8.983 5.574 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.904 4.203 2.028 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.476 5.973 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.565 2.939 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.824 3.837 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.592 4.765 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.063 5.686 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.150 3.923 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.495 3.107 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.595 4.884 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.332 3.972 1.917 1.00 0.00 H new ATOM 802 N GLU A 53 -10.049 7.505 1.785 1.00 0.00 N ATOM 803 CA GLU A 53 -10.650 8.739 2.303 1.00 0.00 C ATOM 804 C GLU A 53 -12.162 8.725 2.072 1.00 0.00 C ATOM 805 O GLU A 53 -12.874 9.549 2.631 1.00 0.00 O ATOM 806 CB GLU A 53 -10.019 9.979 1.660 1.00 0.00 C ATOM 807 CG GLU A 53 -8.585 10.240 2.099 1.00 0.00 C ATOM 808 CD GLU A 53 -7.990 11.471 1.443 1.00 0.00 C ATOM 809 OE1 GLU A 53 -8.128 12.574 2.014 1.00 0.00 O ATOM 810 OE2 GLU A 53 -7.385 11.333 0.359 1.00 0.00 O ATOM 0 H GLU A 53 -9.606 7.615 0.873 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.456 8.787 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.042 9.865 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.627 10.851 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.556 10.360 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.971 9.372 1.858 1.00 0.00 H new ATOM 817 N LEU A 54 -12.641 7.836 1.180 1.00 0.00 N ATOM 818 CA LEU A 54 -14.078 7.679 0.957 1.00 0.00 C ATOM 819 C LEU A 54 -14.651 6.784 2.041 1.00 0.00 C ATOM 820 O LEU A 54 -15.822 6.892 2.410 1.00 0.00 O ATOM 821 CB LEU A 54 -14.398 7.157 -0.467 1.00 0.00 C ATOM 822 CG LEU A 54 -14.505 5.619 -0.750 1.00 0.00 C ATOM 823 CD1 LEU A 54 -15.535 4.885 0.116 1.00 0.00 C ATOM 824 CD2 LEU A 54 -14.882 5.405 -2.195 1.00 0.00 C ATOM 0 H LEU A 54 -12.055 7.225 0.611 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.554 8.658 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.345 7.605 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.632 7.553 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.526 5.206 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.543 3.827 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.272 4.996 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.524 5.309 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.958 4.337 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.842 5.881 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.119 5.843 -2.839 1.00 0.00 H new ATOM 836 N ALA A 55 -13.787 5.876 2.505 1.00 0.00 N ATOM 837 CA ALA A 55 -14.083 4.929 3.593 1.00 0.00 C ATOM 838 C ALA A 55 -14.656 5.636 4.823 1.00 0.00 C ATOM 839 O ALA A 55 -15.215 5.014 5.730 1.00 0.00 O ATOM 840 CB ALA A 55 -12.827 4.171 3.972 1.00 0.00 C ATOM 0 H ALA A 55 -12.844 5.774 2.130 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.838 4.232 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.053 3.472 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.459 3.620 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.064 4.875 4.305 1.00 0.00 H new ATOM 846 N GLN A 56 -14.495 6.946 4.799 1.00 0.00 N ATOM 847 CA GLN A 56 -14.959 7.849 5.836 1.00 0.00 C ATOM 848 C GLN A 56 -16.241 8.542 5.426 1.00 0.00 C ATOM 849 O GLN A 56 -16.512 9.668 5.849 1.00 0.00 O ATOM 850 CB GLN A 56 -13.836 8.831 6.250 1.00 0.00 C ATOM 851 CG GLN A 56 -13.389 9.801 5.163 1.00 0.00 C ATOM 852 CD GLN A 56 -12.669 11.040 5.691 1.00 0.00 C ATOM 853 OE1 GLN A 56 -11.717 11.518 5.074 1.00 0.00 O ATOM 854 NE2 GLN A 56 -13.130 11.586 6.816 1.00 0.00 N ATOM 0 H GLN A 56 -14.023 7.426 4.033 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.204 7.267 6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.178 9.407 7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.972 8.253 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.728 9.277 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.262 10.117 4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.921 11.163 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.692 12.427 7.192 1.00 0.00 H new ATOM 863 N LEU A 57 -17.024 7.843 4.590 1.00 0.00 N ATOM 864 CA LEU A 57 -18.311 8.331 4.120 1.00 0.00 C ATOM 865 C LEU A 57 -19.222 8.621 5.282 1.00 0.00 C ATOM 866 O LEU A 57 -20.059 7.808 5.703 1.00 0.00 O ATOM 867 CB LEU A 57 -18.984 7.350 3.144 1.00 0.00 C ATOM 868 CG LEU A 57 -20.488 7.609 2.851 1.00 0.00 C ATOM 869 CD1 LEU A 57 -20.695 8.746 1.858 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.173 6.339 2.371 1.00 0.00 C ATOM 0 H LEU A 57 -16.774 6.924 4.226 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.124 9.255 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.440 7.376 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -18.880 6.341 3.544 1.00 0.00 H new ATOM 0 HG LEU A 57 -20.948 7.917 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -21.762 8.889 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -20.267 9.664 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.205 8.500 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.225 6.546 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.693 5.990 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.093 5.570 3.139 1.00 0.00 H new ATOM 882 N VAL A 58 -18.980 9.780 5.826 1.00 0.00 N ATOM 883 CA VAL A 58 -19.786 10.311 6.870 1.00 0.00 C ATOM 884 C VAL A 58 -20.930 11.000 6.134 1.00 0.00 C ATOM 885 O VAL A 58 -22.012 11.225 6.682 1.00 0.00 O ATOM 886 CB VAL A 58 -18.972 11.291 7.763 1.00 0.00 C ATOM 887 CG1 VAL A 58 -19.839 11.952 8.835 1.00 0.00 C ATOM 888 CG2 VAL A 58 -17.794 10.570 8.417 1.00 0.00 C ATOM 0 H VAL A 58 -18.206 10.384 5.548 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.151 9.551 7.560 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.596 12.079 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.227 12.627 9.433 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.641 12.516 8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.269 11.185 9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.237 11.272 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.166 9.754 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.138 10.169 7.644 1.00 0.00 H new ATOM 898 N GLN A 59 -20.632 11.329 4.845 1.00 0.00 N ATOM 899 CA GLN A 59 -21.620 11.970 3.953 1.00 0.00 C ATOM 900 C GLN A 59 -21.273 11.940 2.446 1.00 0.00 C ATOM 901 O GLN A 59 -22.085 11.470 1.644 1.00 0.00 O ATOM 902 CB GLN A 59 -21.860 13.434 4.384 1.00 0.00 C ATOM 903 CG GLN A 59 -20.573 14.167 4.792 1.00 0.00 C ATOM 904 CD GLN A 59 -20.465 15.591 4.251 1.00 0.00 C ATOM 905 OE1 GLN A 59 -19.370 16.056 3.934 1.00 0.00 O ATOM 906 NE2 GLN A 59 -21.589 16.302 4.165 1.00 0.00 N ATOM 0 H GLN A 59 -19.724 11.160 4.412 1.00 0.00 H new ATOM 0 HA GLN A 59 -22.521 11.366 4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -22.333 13.974 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -22.559 13.449 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -20.516 14.198 5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -19.715 13.592 4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -22.479 15.884 4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -21.559 17.264 3.828 1.00 0.00 H new ATOM 915 N VAL A 60 -20.083 12.441 2.064 1.00 0.00 N ATOM 916 CA VAL A 60 -19.692 12.522 0.635 1.00 0.00 C ATOM 917 C VAL A 60 -18.420 11.753 0.280 1.00 0.00 C ATOM 918 O VAL A 60 -18.154 11.461 -0.905 1.00 0.00 O ATOM 919 CB VAL A 60 -19.521 13.991 0.164 1.00 0.00 C ATOM 920 CG1 VAL A 60 -20.872 14.605 -0.164 1.00 0.00 C ATOM 921 CG2 VAL A 60 -18.779 14.854 1.190 1.00 0.00 C ATOM 0 H VAL A 60 -19.380 12.793 2.713 1.00 0.00 H new ATOM 0 HA VAL A 60 -20.522 12.047 0.112 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.908 13.966 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -20.733 15.635 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.349 14.032 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.504 14.589 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.687 15.872 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -19.336 14.865 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.786 14.440 1.363 1.00 0.00 H new ATOM 931 N ASP A 61 -17.625 11.442 1.299 1.00 0.00 N ATOM 932 CA ASP A 61 -16.334 10.772 1.110 1.00 0.00 C ATOM 933 C ASP A 61 -16.428 9.612 0.110 1.00 0.00 C ATOM 934 O ASP A 61 -15.677 9.583 -0.881 1.00 0.00 O ATOM 935 CB ASP A 61 -15.752 10.322 2.459 1.00 0.00 C ATOM 936 CG ASP A 61 -15.924 11.375 3.544 1.00 0.00 C ATOM 937 OD1 ASP A 61 -14.938 12.078 3.852 1.00 0.00 O ATOM 938 OD2 ASP A 61 -17.046 11.501 4.077 1.00 0.00 O ATOM 0 H ASP A 61 -17.851 11.643 2.273 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.645 11.497 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.239 9.398 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.692 10.098 2.338 1.00 0.00 H new ATOM 943 N LYS A 62 -17.364 8.676 0.348 1.00 0.00 N ATOM 944 CA LYS A 62 -17.574 7.517 -0.565 1.00 0.00 C ATOM 945 C LYS A 62 -17.717 7.946 -2.043 1.00 0.00 C ATOM 946 O LYS A 62 -17.188 7.281 -2.943 1.00 0.00 O ATOM 947 CB LYS A 62 -18.809 6.698 -0.140 1.00 0.00 C ATOM 948 CG LYS A 62 -19.588 6.030 -1.286 1.00 0.00 C ATOM 949 CD LYS A 62 -21.048 6.492 -1.335 1.00 0.00 C ATOM 950 CE LYS A 62 -21.218 7.887 -1.936 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.049 7.863 -3.171 1.00 0.00 N ATOM 0 H LYS A 62 -17.987 8.691 1.156 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.682 6.896 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.488 5.924 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.489 7.354 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.103 6.259 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.554 4.947 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.629 5.778 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.458 6.486 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.680 8.545 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.238 8.305 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.182 8.834 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.571 7.297 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.976 7.441 -2.958 1.00 0.00 H new ATOM 965 N VAL A 63 -18.416 9.069 -2.272 1.00 0.00 N ATOM 966 CA VAL A 63 -18.667 9.569 -3.627 1.00 0.00 C ATOM 967 C VAL A 63 -17.375 10.073 -4.291 1.00 0.00 C ATOM 968 O VAL A 63 -17.124 9.794 -5.480 1.00 0.00 O ATOM 969 CB VAL A 63 -19.807 10.642 -3.630 1.00 0.00 C ATOM 970 CG1 VAL A 63 -19.331 12.045 -3.275 1.00 0.00 C ATOM 971 CG2 VAL A 63 -20.552 10.644 -4.960 1.00 0.00 C ATOM 0 H VAL A 63 -18.817 9.647 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.018 8.736 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.494 10.347 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.176 12.733 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.895 12.039 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.581 12.368 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.338 11.398 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.856 10.872 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.995 9.663 -5.130 1.00 0.00 H new ATOM 981 N ARG A 64 -16.536 10.779 -3.507 1.00 0.00 N ATOM 982 CA ARG A 64 -15.250 11.288 -4.056 1.00 0.00 C ATOM 983 C ARG A 64 -14.348 10.122 -4.465 1.00 0.00 C ATOM 984 O ARG A 64 -13.803 10.106 -5.582 1.00 0.00 O ATOM 985 CB ARG A 64 -14.455 12.210 -3.107 1.00 0.00 C ATOM 986 CG ARG A 64 -14.921 12.212 -1.669 1.00 0.00 C ATOM 987 CD ARG A 64 -15.922 13.324 -1.389 1.00 0.00 C ATOM 988 NE ARG A 64 -16.748 13.685 -2.552 1.00 0.00 N ATOM 989 CZ ARG A 64 -17.417 14.840 -2.684 1.00 0.00 C ATOM 990 NH1 ARG A 64 -17.377 15.773 -1.735 1.00 0.00 N ATOM 991 NH2 ARG A 64 -18.132 15.060 -3.779 1.00 0.00 N ATOM 0 H ARG A 64 -16.709 11.007 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 64 -15.538 11.895 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.407 11.913 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.506 13.229 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.376 11.249 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.060 12.326 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -16.575 13.015 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.383 14.208 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.817 13.008 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.830 15.616 -0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -17.893 16.645 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.170 14.353 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.644 15.936 -3.887 1.00 0.00 H new ATOM 1005 N GLY A 65 -14.221 9.129 -3.562 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.391 7.963 -3.841 1.00 0.00 C ATOM 1007 C GLY A 65 -13.895 7.108 -4.995 1.00 0.00 C ATOM 1008 O GLY A 65 -13.085 6.568 -5.752 1.00 0.00 O ATOM 0 H GLY A 65 -14.679 9.119 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.377 8.296 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.334 7.347 -2.944 1.00 0.00 H new ATOM 1012 N THR A 66 -15.231 6.984 -5.140 1.00 0.00 N ATOM 1013 CA THR A 66 -15.811 6.182 -6.231 1.00 0.00 C ATOM 1014 C THR A 66 -15.527 6.827 -7.607 1.00 0.00 C ATOM 1015 O THR A 66 -15.124 6.135 -8.559 1.00 0.00 O ATOM 1016 CB THR A 66 -17.334 5.905 -6.025 1.00 0.00 C ATOM 1017 OG1 THR A 66 -17.757 4.860 -6.906 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.211 7.131 -6.259 1.00 0.00 C ATOM 0 H THR A 66 -15.917 7.422 -4.525 1.00 0.00 H new ATOM 0 HA THR A 66 -15.318 5.210 -6.209 1.00 0.00 H new ATOM 0 HB THR A 66 -17.455 5.615 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.713 4.687 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.256 6.867 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.926 7.921 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.079 7.483 -7.282 1.00 0.00 H new ATOM 1026 N LEU A 67 -15.701 8.167 -7.687 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.438 8.917 -8.930 1.00 0.00 C ATOM 1028 C LEU A 67 -13.945 8.846 -9.296 1.00 0.00 C ATOM 1029 O LEU A 67 -13.585 8.693 -10.471 1.00 0.00 O ATOM 1030 CB LEU A 67 -15.886 10.380 -8.771 1.00 0.00 C ATOM 1031 CG LEU A 67 -16.206 11.128 -10.075 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -17.313 12.145 -9.844 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -14.962 11.819 -10.621 1.00 0.00 C ATOM 0 H LEU A 67 -16.020 8.744 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 67 -16.010 8.464 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.771 10.402 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.102 10.925 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.546 10.400 -10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.528 12.667 -10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.211 11.633 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.994 12.865 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.212 12.342 -11.544 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.592 12.535 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.191 11.075 -10.823 1.00 0.00 H new ATOM 1045 N ALA A 68 -13.087 8.930 -8.262 1.00 0.00 N ATOM 1046 CA ALA A 68 -11.630 8.848 -8.427 1.00 0.00 C ATOM 1047 C ALA A 68 -11.231 7.434 -8.852 1.00 0.00 C ATOM 1048 O ALA A 68 -10.359 7.240 -9.714 1.00 0.00 O ATOM 1049 CB ALA A 68 -10.930 9.226 -7.131 1.00 0.00 C ATOM 0 H ALA A 68 -13.386 9.056 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.324 9.549 -9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.851 9.161 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.200 10.246 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.237 8.543 -6.339 1.00 0.00 H new ATOM 1055 N LYS A 69 -11.922 6.450 -8.248 1.00 0.00 N ATOM 1056 CA LYS A 69 -11.717 5.039 -8.525 1.00 0.00 C ATOM 1057 C LYS A 69 -11.908 4.752 -10.000 1.00 0.00 C ATOM 1058 O LYS A 69 -11.080 4.089 -10.591 1.00 0.00 O ATOM 1059 CB LYS A 69 -12.657 4.208 -7.661 1.00 0.00 C ATOM 1060 CG LYS A 69 -13.335 3.064 -8.395 1.00 0.00 C ATOM 1061 CD LYS A 69 -12.831 1.704 -7.933 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.798 1.026 -6.972 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.564 -0.442 -6.892 1.00 0.00 N ATOM 0 H LYS A 69 -12.643 6.627 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.692 4.765 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.095 3.802 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.423 4.862 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.412 3.122 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.162 3.169 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.675 1.063 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.863 1.824 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.692 1.465 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.822 1.213 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.332 -0.887 -6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.539 -0.842 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.656 -0.624 -6.418 1.00 0.00 H new ATOM 1077 N LEU A 70 -13.011 5.252 -10.573 1.00 0.00 N ATOM 1078 CA LEU A 70 -13.287 5.081 -12.001 1.00 0.00 C ATOM 1079 C LEU A 70 -12.204 5.817 -12.818 1.00 0.00 C ATOM 1080 O LEU A 70 -11.609 5.244 -13.766 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.723 5.580 -12.293 1.00 0.00 C ATOM 1082 CG LEU A 70 -14.980 6.262 -13.648 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -16.363 5.905 -14.171 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -14.838 7.772 -13.515 1.00 0.00 C ATOM 0 H LEU A 70 -13.725 5.777 -10.068 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.244 4.032 -12.295 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.397 4.727 -12.213 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.001 6.281 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.238 5.903 -14.362 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.527 6.396 -15.130 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.436 4.825 -14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.118 6.238 -13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.023 8.241 -14.481 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.560 8.143 -12.788 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.829 8.015 -13.181 1.00 0.00 H new ATOM 1096 N GLU A 71 -11.905 7.065 -12.368 1.00 0.00 N ATOM 1097 CA GLU A 71 -10.893 7.935 -13.001 1.00 0.00 C ATOM 1098 C GLU A 71 -9.607 7.152 -13.302 1.00 0.00 C ATOM 1099 O GLU A 71 -9.008 7.310 -14.370 1.00 0.00 O ATOM 1100 CB GLU A 71 -10.640 9.167 -12.086 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.214 9.346 -11.541 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.298 10.065 -12.514 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -7.591 9.380 -13.282 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -8.290 11.314 -12.509 1.00 0.00 O ATOM 0 H GLU A 71 -12.360 7.489 -11.559 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.262 8.294 -13.962 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.905 10.065 -12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.322 9.106 -11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.255 9.906 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.793 8.368 -11.309 1.00 0.00 H new ATOM 1111 N ALA A 72 -9.206 6.315 -12.341 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.026 5.473 -12.491 1.00 0.00 C ATOM 1113 C ALA A 72 -8.387 4.114 -13.083 1.00 0.00 C ATOM 1114 O ALA A 72 -7.719 3.636 -13.984 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.339 5.288 -11.161 1.00 0.00 C ATOM 0 H ALA A 72 -9.687 6.206 -11.448 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.345 5.975 -13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.460 4.657 -11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.034 6.259 -10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.026 4.814 -10.460 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.487 3.526 -12.600 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.977 2.203 -13.047 1.00 0.00 C ATOM 1123 C PHE A 73 -10.204 2.141 -14.567 1.00 0.00 C ATOM 1124 O PHE A 73 -10.623 1.109 -15.101 1.00 0.00 O ATOM 1125 CB PHE A 73 -11.286 1.875 -12.303 1.00 0.00 C ATOM 1126 CG PHE A 73 -11.254 0.652 -11.416 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -12.138 -0.395 -11.634 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -10.355 0.553 -10.359 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -12.124 -1.514 -10.822 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -10.338 -0.564 -9.547 1.00 0.00 C ATOM 1131 CZ PHE A 73 -11.224 -1.599 -9.779 1.00 0.00 C ATOM 0 H PHE A 73 -10.072 3.953 -11.882 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.210 1.465 -12.813 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.559 2.736 -11.692 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.077 1.744 -13.041 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.846 -0.335 -12.448 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.662 1.360 -10.171 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.817 -2.322 -11.004 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.633 -0.629 -8.731 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.212 -2.473 -9.145 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.949 3.272 -15.243 1.00 0.00 N ATOM 1142 CA ALA A 74 -10.064 3.383 -16.701 1.00 0.00 C ATOM 1143 C ALA A 74 -9.515 2.175 -17.497 1.00 0.00 C ATOM 1144 O ALA A 74 -10.311 1.472 -18.127 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.404 4.676 -17.170 1.00 0.00 C ATOM 0 H ALA A 74 -9.656 4.137 -14.789 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.133 3.394 -16.914 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.491 4.756 -18.254 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.898 5.527 -16.702 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.351 4.669 -16.890 1.00 0.00 H new ATOM 1151 N ASP A 75 -8.188 1.917 -17.485 1.00 0.00 N ATOM 1152 CA ASP A 75 -7.652 0.781 -18.261 1.00 0.00 C ATOM 1153 C ASP A 75 -6.584 -0.057 -17.559 1.00 0.00 C ATOM 1154 O ASP A 75 -6.827 -1.220 -17.223 1.00 0.00 O ATOM 1155 CB ASP A 75 -7.141 1.252 -19.636 1.00 0.00 C ATOM 1156 CG ASP A 75 -8.266 1.666 -20.567 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -8.640 2.858 -20.553 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -8.772 0.799 -21.309 1.00 0.00 O ATOM 0 H ASP A 75 -7.494 2.457 -16.968 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.503 0.110 -18.379 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.461 2.092 -19.498 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.567 0.450 -20.100 1.00 0.00 H new ATOM 1163 N THR A 76 -5.418 0.538 -17.343 1.00 0.00 N ATOM 1164 CA THR A 76 -4.276 -0.172 -16.753 1.00 0.00 C ATOM 1165 C THR A 76 -4.117 0.218 -15.293 1.00 0.00 C ATOM 1166 O THR A 76 -3.006 0.316 -14.754 1.00 0.00 O ATOM 1167 CB THR A 76 -2.978 0.119 -17.554 1.00 0.00 C ATOM 1168 OG1 THR A 76 -3.267 0.166 -18.958 1.00 0.00 O ATOM 1169 CG2 THR A 76 -1.908 -0.943 -17.306 1.00 0.00 C ATOM 0 H THR A 76 -5.232 1.516 -17.567 1.00 0.00 H new ATOM 0 HA THR A 76 -4.464 -1.244 -16.803 1.00 0.00 H new ATOM 0 HB THR A 76 -2.596 1.081 -17.213 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.443 0.352 -19.455 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.016 -0.703 -17.885 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.657 -0.966 -16.245 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.286 -1.919 -17.611 1.00 0.00 H new ATOM 1177 N VAL A 77 -5.266 0.420 -14.665 1.00 0.00 N ATOM 1178 CA VAL A 77 -5.349 0.827 -13.271 1.00 0.00 C ATOM 1179 C VAL A 77 -6.701 0.395 -12.681 1.00 0.00 C ATOM 1180 O VAL A 77 -7.351 1.157 -11.954 1.00 0.00 O ATOM 1181 CB VAL A 77 -5.141 2.364 -13.134 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.701 2.647 -12.731 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.482 3.113 -14.433 1.00 0.00 C ATOM 0 H VAL A 77 -6.175 0.305 -15.113 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.554 0.335 -12.710 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.822 2.726 -12.364 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.555 3.723 -12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.489 2.165 -11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.026 2.256 -13.493 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.322 4.182 -14.290 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.841 2.755 -15.239 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.525 2.934 -14.693 1.00 0.00 H new ATOM 1193 N ALA A 78 -7.114 -0.861 -12.992 1.00 0.00 N ATOM 1194 CA ALA A 78 -8.405 -1.391 -12.523 1.00 0.00 C ATOM 1195 C ALA A 78 -8.376 -2.902 -12.170 1.00 0.00 C ATOM 1196 O ALA A 78 -8.579 -3.239 -11.000 1.00 0.00 O ATOM 1197 CB ALA A 78 -9.498 -1.123 -13.559 1.00 0.00 C ATOM 0 H ALA A 78 -6.573 -1.513 -13.560 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.624 -0.862 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.447 -1.521 -13.198 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.592 -0.049 -13.719 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.235 -1.608 -14.499 1.00 0.00 H new ATOM 1203 N PRO A 79 -8.127 -3.847 -13.147 1.00 0.00 N ATOM 1204 CA PRO A 79 -8.157 -5.292 -12.882 1.00 0.00 C ATOM 1205 C PRO A 79 -6.775 -5.919 -12.627 1.00 0.00 C ATOM 1206 O PRO A 79 -6.472 -7.008 -13.136 1.00 0.00 O ATOM 1207 CB PRO A 79 -8.772 -5.825 -14.193 1.00 0.00 C ATOM 1208 CG PRO A 79 -8.527 -4.769 -15.247 1.00 0.00 C ATOM 1209 CD PRO A 79 -7.801 -3.627 -14.575 1.00 0.00 C ATOM 0 HA PRO A 79 -8.705 -5.535 -11.971 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -8.313 -6.771 -14.479 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -9.839 -6.012 -14.072 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.933 -5.174 -16.066 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.469 -4.427 -15.675 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.727 -3.663 -14.758 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.152 -2.657 -14.928 1.00 0.00 H new ATOM 1217 N GLN A 80 -5.952 -5.247 -11.821 1.00 0.00 N ATOM 1218 CA GLN A 80 -4.608 -5.742 -11.534 1.00 0.00 C ATOM 1219 C GLN A 80 -4.327 -5.769 -10.021 1.00 0.00 C ATOM 1220 O GLN A 80 -3.621 -4.918 -9.493 1.00 0.00 O ATOM 1221 CB GLN A 80 -3.579 -4.889 -12.319 1.00 0.00 C ATOM 1222 CG GLN A 80 -3.637 -3.378 -12.079 1.00 0.00 C ATOM 1223 CD GLN A 80 -2.618 -2.621 -12.908 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -2.894 -2.223 -14.039 1.00 0.00 O ATOM 1225 NE2 GLN A 80 -1.432 -2.418 -12.347 1.00 0.00 N ATOM 0 H GLN A 80 -6.190 -4.368 -11.361 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.521 -6.776 -11.866 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.578 -5.239 -12.066 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -3.721 -5.073 -13.384 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.637 -3.014 -12.316 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.465 -3.174 -11.022 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.247 -2.766 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.706 -1.914 -12.857 1.00 0.00 H new ATOM 1234 N LEU A 81 -4.856 -6.799 -9.337 1.00 0.00 N ATOM 1235 CA LEU A 81 -4.692 -6.937 -7.871 1.00 0.00 C ATOM 1236 C LEU A 81 -5.023 -8.351 -7.372 1.00 0.00 C ATOM 1237 O LEU A 81 -5.486 -9.204 -8.134 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.577 -5.899 -7.115 1.00 0.00 C ATOM 1239 CG LEU A 81 -7.098 -6.180 -7.034 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -7.780 -5.112 -6.202 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.745 -6.262 -8.414 1.00 0.00 C ATOM 0 H LEU A 81 -5.399 -7.547 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.640 -6.746 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.197 -5.811 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.439 -4.929 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.224 -7.152 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.849 -5.318 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.362 -5.113 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.620 -4.136 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.811 -6.460 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.604 -5.317 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.283 -7.067 -8.985 1.00 0.00 H new ATOM 1253 N SER A 82 -4.771 -8.564 -6.072 1.00 0.00 N ATOM 1254 CA SER A 82 -5.052 -9.829 -5.402 1.00 0.00 C ATOM 1255 C SER A 82 -6.343 -9.690 -4.549 1.00 0.00 C ATOM 1256 O SER A 82 -6.847 -8.571 -4.406 1.00 0.00 O ATOM 1257 CB SER A 82 -3.847 -10.224 -4.537 1.00 0.00 C ATOM 1258 OG SER A 82 -3.483 -11.578 -4.748 1.00 0.00 O ATOM 0 H SER A 82 -4.365 -7.857 -5.459 1.00 0.00 H new ATOM 0 HA SER A 82 -5.217 -10.616 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.001 -9.577 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.086 -10.069 -3.485 1.00 0.00 H new ATOM 0 HG SER A 82 -2.712 -11.801 -4.186 1.00 0.00 H new ATOM 1264 N PRO A 83 -6.914 -10.810 -3.972 1.00 0.00 N ATOM 1265 CA PRO A 83 -8.166 -10.773 -3.162 1.00 0.00 C ATOM 1266 C PRO A 83 -8.298 -9.637 -2.140 1.00 0.00 C ATOM 1267 O PRO A 83 -9.398 -9.097 -1.980 1.00 0.00 O ATOM 1268 CB PRO A 83 -8.155 -12.124 -2.453 1.00 0.00 C ATOM 1269 CG PRO A 83 -7.477 -13.037 -3.406 1.00 0.00 C ATOM 1270 CD PRO A 83 -6.415 -12.212 -4.085 1.00 0.00 C ATOM 0 HA PRO A 83 -9.015 -10.584 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.620 -12.071 -1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.166 -12.463 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.037 -13.888 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.184 -13.438 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.447 -12.331 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.287 -12.507 -5.127 1.00 0.00 H new ATOM 1278 N GLY A 84 -7.212 -9.269 -1.456 1.00 0.00 N ATOM 1279 CA GLY A 84 -7.315 -8.199 -0.478 1.00 0.00 C ATOM 1280 C GLY A 84 -6.047 -7.946 0.318 1.00 0.00 C ATOM 1281 O GLY A 84 -5.076 -8.695 0.209 1.00 0.00 O ATOM 0 H GLY A 84 -6.285 -9.682 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.595 -7.280 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.123 -8.435 0.215 1.00 0.00 H new ATOM 1285 N ASP A 85 -6.090 -6.876 1.149 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.968 -6.431 2.031 1.00 0.00 C ATOM 1287 C ASP A 85 -3.584 -6.373 1.335 1.00 0.00 C ATOM 1288 O ASP A 85 -2.624 -7.001 1.792 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.885 -7.273 3.337 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.838 -8.781 3.125 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -3.722 -9.328 3.001 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -5.917 -9.409 3.084 1.00 0.00 O ATOM 0 H ASP A 85 -6.916 -6.284 1.231 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.219 -5.402 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.996 -6.971 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.746 -7.035 3.961 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.503 -5.654 0.202 1.00 0.00 N ATOM 1298 CA ILE A 86 -2.231 -5.499 -0.534 1.00 0.00 C ATOM 1299 C ILE A 86 -2.119 -4.158 -1.294 1.00 0.00 C ATOM 1300 O ILE A 86 -3.131 -3.581 -1.711 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.918 -6.695 -1.500 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -3.121 -7.629 -1.719 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -0.743 -7.494 -0.961 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -4.018 -7.232 -2.870 1.00 0.00 C ATOM 0 H ILE A 86 -4.296 -5.173 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.474 -5.500 0.250 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.674 -6.261 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.753 -8.640 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.714 -7.658 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.528 -8.324 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.133 -6.849 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.990 -7.883 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.840 -7.943 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.419 -6.234 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.443 -7.232 -3.796 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.862 -3.663 -1.407 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.487 -2.443 -2.176 1.00 0.00 C ATOM 1318 C VAL A 87 0.949 -2.645 -2.740 1.00 0.00 C ATOM 1319 O VAL A 87 1.821 -3.096 -1.990 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.583 -1.147 -1.301 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.243 -1.238 -0.015 1.00 0.00 C ATOM 1322 CG2 VAL A 87 -0.204 0.105 -2.094 1.00 0.00 C ATOM 0 H VAL A 87 -0.061 -4.108 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.190 -2.303 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.630 -1.063 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.138 -0.312 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.113 -2.074 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.292 -1.393 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.284 0.981 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.821 0.011 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.878 0.216 -2.943 1.00 0.00 H new ATOM 1332 N VAL A 88 1.212 -2.322 -4.038 1.00 0.00 N ATOM 1333 CA VAL A 88 2.556 -2.550 -4.609 1.00 0.00 C ATOM 1334 C VAL A 88 3.503 -1.352 -4.392 1.00 0.00 C ATOM 1335 O VAL A 88 3.180 -0.232 -4.773 1.00 0.00 O ATOM 1336 CB VAL A 88 2.482 -2.865 -6.133 1.00 0.00 C ATOM 1337 CG1 VAL A 88 3.852 -3.200 -6.717 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.517 -3.994 -6.439 1.00 0.00 C ATOM 0 H VAL A 88 0.533 -1.918 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 88 2.961 -3.410 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 88 2.113 -1.954 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.752 -3.413 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.524 -2.353 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.260 -4.074 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.500 -4.177 -7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.839 -4.898 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.517 -3.720 -6.102 1.00 0.00 H new ATOM 1348 N ALA A 89 4.651 -1.622 -3.733 1.00 0.00 N ATOM 1349 CA ALA A 89 5.713 -0.640 -3.486 1.00 0.00 C ATOM 1350 C ALA A 89 7.057 -1.372 -3.460 1.00 0.00 C ATOM 1351 O ALA A 89 7.409 -1.995 -2.450 1.00 0.00 O ATOM 1352 CB ALA A 89 5.468 0.116 -2.179 1.00 0.00 C ATOM 0 H ALA A 89 4.863 -2.545 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 89 5.720 0.102 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.270 0.837 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.514 0.640 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.446 -0.590 -1.349 1.00 0.00 H new ATOM 1358 N LEU A 90 7.802 -1.321 -4.575 1.00 0.00 N ATOM 1359 CA LEU A 90 9.088 -2.035 -4.649 1.00 0.00 C ATOM 1360 C LEU A 90 10.230 -1.145 -5.112 1.00 0.00 C ATOM 1361 O LEU A 90 10.011 -0.214 -5.867 1.00 0.00 O ATOM 1362 CB LEU A 90 8.984 -3.273 -5.575 1.00 0.00 C ATOM 1363 CG LEU A 90 8.681 -3.022 -7.075 1.00 0.00 C ATOM 1364 CD1 LEU A 90 9.013 -4.246 -7.900 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.227 -2.627 -7.308 1.00 0.00 C ATOM 0 H LEU A 90 7.546 -0.807 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 90 9.313 -2.359 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.923 -3.822 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.205 -3.925 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 90 9.311 -2.190 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.793 -4.048 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.071 -4.483 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.414 -5.090 -7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.061 -2.461 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.573 -3.426 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.006 -1.711 -6.760 1.00 0.00 H new ATOM 1377 N GLY A 91 11.442 -1.426 -4.614 1.00 0.00 N ATOM 1378 CA GLY A 91 12.634 -0.683 -5.043 1.00 0.00 C ATOM 1379 C GLY A 91 12.785 0.690 -4.407 1.00 0.00 C ATOM 1380 O GLY A 91 12.865 0.806 -3.183 1.00 0.00 O ATOM 0 H GLY A 91 11.622 -2.153 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.519 -1.276 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.603 -0.566 -6.126 1.00 0.00 H new ATOM 1384 N HIS A 92 12.825 1.734 -5.258 1.00 0.00 N ATOM 1385 CA HIS A 92 12.968 3.137 -4.804 1.00 0.00 C ATOM 1386 C HIS A 92 11.681 3.603 -4.121 1.00 0.00 C ATOM 1387 O HIS A 92 10.941 4.460 -4.617 1.00 0.00 O ATOM 1388 CB HIS A 92 13.322 4.049 -5.983 1.00 0.00 C ATOM 1389 CG HIS A 92 13.740 5.440 -5.595 1.00 0.00 C ATOM 1390 ND1 HIS A 92 15.059 5.824 -5.477 1.00 0.00 N ATOM 1391 CD2 HIS A 92 13.003 6.538 -5.303 1.00 0.00 C ATOM 1392 CE1 HIS A 92 15.116 7.097 -5.127 1.00 0.00 C ATOM 1393 NE2 HIS A 92 13.882 7.553 -5.016 1.00 0.00 N ATOM 0 H HIS A 92 12.760 1.634 -6.271 1.00 0.00 H new ATOM 0 HA HIS A 92 13.781 3.191 -4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.128 3.587 -6.553 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.460 4.115 -6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.925 6.603 -5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 92 16.018 7.667 -4.960 1.00 0.00 H new ATOM 0 HE2 HIS A 92 13.623 8.506 -4.759 1.00 0.00 H new ATOM 1402 N THR A 93 11.452 3.001 -2.975 1.00 0.00 N ATOM 1403 CA THR A 93 10.274 3.245 -2.162 1.00 0.00 C ATOM 1404 C THR A 93 10.718 3.591 -0.723 1.00 0.00 C ATOM 1405 O THR A 93 10.978 2.685 0.077 1.00 0.00 O ATOM 1406 CB THR A 93 9.342 1.995 -2.226 1.00 0.00 C ATOM 1407 OG1 THR A 93 9.992 0.865 -1.632 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.009 1.667 -3.684 1.00 0.00 C ATOM 0 H THR A 93 12.090 2.315 -2.572 1.00 0.00 H new ATOM 0 HA THR A 93 9.703 4.094 -2.538 1.00 0.00 H new ATOM 0 HB THR A 93 8.425 2.217 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.589 1.170 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.358 0.793 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.502 2.517 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.929 1.457 -4.229 1.00 0.00 H new ATOM 1416 N PRO A 94 10.834 4.922 -0.371 1.00 0.00 N ATOM 1417 CA PRO A 94 11.315 5.367 0.963 1.00 0.00 C ATOM 1418 C PRO A 94 10.480 4.851 2.144 1.00 0.00 C ATOM 1419 O PRO A 94 9.496 5.473 2.557 1.00 0.00 O ATOM 1420 CB PRO A 94 11.275 6.904 0.879 1.00 0.00 C ATOM 1421 CG PRO A 94 10.362 7.222 -0.253 1.00 0.00 C ATOM 1422 CD PRO A 94 10.503 6.091 -1.231 1.00 0.00 C ATOM 0 HA PRO A 94 12.307 4.964 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.910 7.338 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 94 12.271 7.313 0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.332 7.314 0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.630 8.172 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.582 5.928 -1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.289 6.287 -1.960 1.00 0.00 H new ATOM 1430 N VAL A 95 10.910 3.693 2.667 1.00 0.00 N ATOM 1431 CA VAL A 95 10.266 3.014 3.811 1.00 0.00 C ATOM 1432 C VAL A 95 11.154 1.883 4.344 1.00 0.00 C ATOM 1433 O VAL A 95 11.167 1.610 5.547 1.00 0.00 O ATOM 1434 CB VAL A 95 8.856 2.425 3.483 1.00 0.00 C ATOM 1435 CG1 VAL A 95 7.774 3.465 3.724 1.00 0.00 C ATOM 1436 CG2 VAL A 95 8.764 1.893 2.052 1.00 0.00 C ATOM 0 H VAL A 95 11.723 3.193 2.307 1.00 0.00 H new ATOM 0 HA VAL A 95 10.133 3.790 4.565 1.00 0.00 H new ATOM 0 HB VAL A 95 8.702 1.580 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.799 3.037 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.793 3.775 4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.953 4.330 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.765 1.495 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.962 2.703 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.500 1.102 1.910 1.00 0.00 H new ATOM 1446 N GLY A 96 11.899 1.242 3.427 1.00 0.00 N ATOM 1447 CA GLY A 96 12.789 0.131 3.769 1.00 0.00 C ATOM 1448 C GLY A 96 14.029 0.519 4.543 1.00 0.00 C ATOM 1449 O GLY A 96 14.243 0.026 5.655 1.00 0.00 O ATOM 0 H GLY A 96 11.898 1.481 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.227 -0.598 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.095 -0.366 2.848 1.00 0.00 H new ATOM 1453 N GLY A 97 14.846 1.403 3.962 1.00 0.00 N ATOM 1454 CA GLY A 97 16.106 1.788 4.591 1.00 0.00 C ATOM 1455 C GLY A 97 17.195 0.779 4.248 1.00 0.00 C ATOM 1456 O GLY A 97 18.385 1.014 4.472 1.00 0.00 O ATOM 0 H GLY A 97 14.658 1.858 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.401 2.781 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.979 1.844 5.672 1.00 0.00 H new ATOM 1460 N ILE A 98 16.734 -0.355 3.695 1.00 0.00 N ATOM 1461 CA ILE A 98 17.572 -1.464 3.257 1.00 0.00 C ATOM 1462 C ILE A 98 18.081 -1.163 1.823 1.00 0.00 C ATOM 1463 O ILE A 98 17.725 -0.122 1.264 1.00 0.00 O ATOM 1464 CB ILE A 98 16.770 -2.829 3.376 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.346 -3.975 2.518 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.284 -2.647 3.060 1.00 0.00 C ATOM 1467 CD1 ILE A 98 18.515 -4.697 3.160 1.00 0.00 C ATOM 0 H ILE A 98 15.740 -0.522 3.540 1.00 0.00 H new ATOM 0 HA ILE A 98 18.448 -1.575 3.896 1.00 0.00 H new ATOM 0 HB ILE A 98 16.886 -3.123 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 98 16.554 -4.696 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 98 17.665 -3.571 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.772 -3.605 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.848 -1.933 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.172 -2.273 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 98 18.863 -5.488 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.325 -3.990 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.198 -5.133 4.107 1.00 0.00 H new ATOM 1479 N PHE A 99 18.940 -2.026 1.255 1.00 0.00 N ATOM 1480 CA PHE A 99 19.454 -1.806 -0.104 1.00 0.00 C ATOM 1481 C PHE A 99 19.330 -3.059 -0.988 1.00 0.00 C ATOM 1482 O PHE A 99 20.228 -3.909 -1.023 1.00 0.00 O ATOM 1483 CB PHE A 99 20.916 -1.336 -0.050 1.00 0.00 C ATOM 1484 CG PHE A 99 21.092 0.040 0.534 1.00 0.00 C ATOM 1485 CD1 PHE A 99 21.064 1.162 -0.279 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.287 0.209 1.896 1.00 0.00 C ATOM 1487 CE1 PHE A 99 21.227 2.426 0.255 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.450 1.471 2.435 1.00 0.00 C ATOM 1489 CZ PHE A 99 21.420 2.581 1.614 1.00 0.00 C ATOM 0 H PHE A 99 19.288 -2.870 1.709 1.00 0.00 H new ATOM 0 HA PHE A 99 18.839 -1.029 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.495 -2.047 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.329 -1.348 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 99 20.913 1.047 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 99 21.312 -0.655 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 99 21.204 3.292 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 99 21.601 1.589 3.498 1.00 0.00 H new ATOM 0 HZ PHE A 99 21.547 3.568 2.033 1.00 0.00 H new ATOM 1499 N ASP A 100 18.188 -3.152 -1.697 1.00 0.00 N ATOM 1500 CA ASP A 100 17.888 -4.236 -2.644 1.00 0.00 C ATOM 1501 C ASP A 100 16.775 -3.806 -3.606 1.00 0.00 C ATOM 1502 O ASP A 100 15.669 -3.508 -3.183 1.00 0.00 O ATOM 1503 CB ASP A 100 17.441 -5.520 -1.916 1.00 0.00 C ATOM 1504 CG ASP A 100 18.594 -6.267 -1.276 1.00 0.00 C ATOM 1505 OD1 ASP A 100 18.622 -6.366 -0.032 1.00 0.00 O ATOM 1506 OD2 ASP A 100 19.475 -6.742 -2.019 1.00 0.00 O ATOM 0 H ASP A 100 17.439 -2.464 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 100 18.805 -4.445 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.712 -5.261 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 100 16.938 -6.177 -2.625 1.00 0.00 H new ATOM 1511 N LEU A 101 17.052 -3.843 -4.906 1.00 0.00 N ATOM 1512 CA LEU A 101 16.056 -3.479 -5.922 1.00 0.00 C ATOM 1513 C LEU A 101 15.685 -4.711 -6.742 1.00 0.00 C ATOM 1514 O LEU A 101 16.557 -5.362 -7.321 1.00 0.00 O ATOM 1515 CB LEU A 101 16.603 -2.378 -6.841 1.00 0.00 C ATOM 1516 CG LEU A 101 15.843 -1.036 -6.864 1.00 0.00 C ATOM 1517 CD1 LEU A 101 16.016 -0.273 -5.553 1.00 0.00 C ATOM 1518 CD2 LEU A 101 16.343 -0.191 -8.024 1.00 0.00 C ATOM 0 H LEU A 101 17.957 -4.121 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 101 15.165 -3.099 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.634 -2.177 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.629 -2.769 -7.858 1.00 0.00 H new ATOM 0 HG LEU A 101 14.781 -1.247 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.467 0.667 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.631 -0.873 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.074 -0.067 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.806 0.758 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.410 -0.002 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.172 -0.721 -8.961 1.00 0.00 H new ATOM 1530 N LYS A 102 14.410 -5.103 -6.690 1.00 0.00 N ATOM 1531 CA LYS A 102 13.948 -6.251 -7.463 1.00 0.00 C ATOM 1532 C LYS A 102 13.350 -5.830 -8.811 1.00 0.00 C ATOM 1533 O LYS A 102 12.271 -5.231 -8.880 1.00 0.00 O ATOM 1534 CB LYS A 102 12.989 -7.130 -6.623 1.00 0.00 C ATOM 1535 CG LYS A 102 11.575 -6.580 -6.407 1.00 0.00 C ATOM 1536 CD LYS A 102 10.562 -7.224 -7.347 1.00 0.00 C ATOM 1537 CE LYS A 102 9.300 -7.630 -6.602 1.00 0.00 C ATOM 1538 NZ LYS A 102 8.214 -8.047 -7.532 1.00 0.00 N ATOM 0 H LYS A 102 13.690 -4.648 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 102 14.814 -6.868 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 102 12.907 -8.104 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.444 -7.296 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.272 -6.753 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.578 -5.501 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.308 -6.526 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.006 -8.100 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.529 -8.450 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.955 -6.795 -5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.290 -7.877 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.280 -7.496 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.312 -9.059 -7.749 1.00 0.00 H new ATOM 1552 N VAL A 103 14.103 -6.119 -9.877 1.00 0.00 N ATOM 1553 CA VAL A 103 13.690 -5.800 -11.245 1.00 0.00 C ATOM 1554 C VAL A 103 14.128 -6.940 -12.190 1.00 0.00 C ATOM 1555 O VAL A 103 15.236 -6.918 -12.744 1.00 0.00 O ATOM 1556 CB VAL A 103 14.270 -4.429 -11.739 1.00 0.00 C ATOM 1557 CG1 VAL A 103 13.754 -4.068 -13.133 1.00 0.00 C ATOM 1558 CG2 VAL A 103 13.944 -3.303 -10.759 1.00 0.00 C ATOM 0 H VAL A 103 15.012 -6.578 -9.815 1.00 0.00 H new ATOM 0 HA VAL A 103 12.604 -5.705 -11.254 1.00 0.00 H new ATOM 0 HB VAL A 103 15.352 -4.545 -11.792 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.177 -3.112 -13.441 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.050 -4.841 -13.842 1.00 0.00 H new ATOM 0 HG13 VAL A 103 12.667 -3.993 -13.110 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.360 -2.366 -11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 103 12.863 -3.207 -10.662 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.377 -3.532 -9.785 1.00 0.00 H new ATOM 1568 N GLY A 104 13.262 -7.959 -12.318 1.00 0.00 N ATOM 1569 CA GLY A 104 13.516 -9.114 -13.194 1.00 0.00 C ATOM 1570 C GLY A 104 14.846 -9.814 -12.965 1.00 0.00 C ATOM 1571 O GLY A 104 14.989 -10.588 -12.014 1.00 0.00 O ATOM 0 H GLY A 104 12.373 -8.005 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.713 -9.838 -13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.472 -8.781 -14.231 1.00 0.00 H new ATOM 1575 N SER A 105 15.820 -9.538 -13.851 1.00 0.00 N ATOM 1576 CA SER A 105 17.168 -10.124 -13.753 1.00 0.00 C ATOM 1577 C SER A 105 17.992 -9.409 -12.667 1.00 0.00 C ATOM 1578 O SER A 105 19.209 -9.596 -12.544 1.00 0.00 O ATOM 1579 CB SER A 105 17.875 -10.043 -15.113 1.00 0.00 C ATOM 1580 OG SER A 105 17.891 -8.713 -15.605 1.00 0.00 O ATOM 0 H SER A 105 15.697 -8.910 -14.646 1.00 0.00 H new ATOM 0 HA SER A 105 17.075 -11.173 -13.470 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.897 -10.410 -15.017 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.369 -10.692 -15.828 1.00 0.00 H new ATOM 0 HG SER A 105 18.349 -8.690 -16.471 1.00 0.00 H new ATOM 1586 N THR A 106 17.277 -8.609 -11.880 1.00 0.00 N ATOM 1587 CA THR A 106 17.824 -7.831 -10.779 1.00 0.00 C ATOM 1588 C THR A 106 16.845 -7.941 -9.612 1.00 0.00 C ATOM 1589 O THR A 106 16.693 -7.021 -8.811 1.00 0.00 O ATOM 1590 CB THR A 106 17.967 -6.348 -11.189 1.00 0.00 C ATOM 1591 OG1 THR A 106 18.322 -6.247 -12.570 1.00 0.00 O ATOM 1592 CG2 THR A 106 19.010 -5.623 -10.342 1.00 0.00 C ATOM 0 H THR A 106 16.272 -8.483 -11.997 1.00 0.00 H new ATOM 0 HA THR A 106 18.809 -8.207 -10.504 1.00 0.00 H new ATOM 0 HB THR A 106 17.001 -5.871 -11.021 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.408 -5.303 -12.817 1.00 0.00 H new ATOM 0 HG21 THR A 106 19.080 -4.583 -10.662 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.717 -5.661 -9.293 1.00 0.00 H new ATOM 0 HG23 THR A 106 19.979 -6.107 -10.466 1.00 0.00 H new ATOM 1600 N LYS A 107 16.198 -9.102 -9.532 1.00 0.00 N ATOM 1601 CA LYS A 107 15.171 -9.376 -8.538 1.00 0.00 C ATOM 1602 C LYS A 107 15.727 -9.538 -7.099 1.00 0.00 C ATOM 1603 O LYS A 107 16.012 -10.651 -6.642 1.00 0.00 O ATOM 1604 CB LYS A 107 14.383 -10.607 -9.017 1.00 0.00 C ATOM 1605 CG LYS A 107 12.987 -10.750 -8.417 1.00 0.00 C ATOM 1606 CD LYS A 107 12.087 -11.617 -9.292 1.00 0.00 C ATOM 1607 CE LYS A 107 11.105 -10.778 -10.101 1.00 0.00 C ATOM 1608 NZ LYS A 107 10.003 -10.234 -9.258 1.00 0.00 N ATOM 0 H LYS A 107 16.376 -9.884 -10.163 1.00 0.00 H new ATOM 0 HA LYS A 107 14.508 -8.515 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.293 -10.563 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.958 -11.503 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.061 -11.189 -7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.539 -9.764 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.701 -12.211 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.536 -12.317 -8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.638 -9.954 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.682 -11.386 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.702 -9.312 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.198 -10.893 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.339 -10.117 -8.281 1.00 0.00 H new ATOM 1622 N HIS A 108 15.869 -8.387 -6.408 1.00 0.00 N ATOM 1623 CA HIS A 108 16.321 -8.322 -5.011 1.00 0.00 C ATOM 1624 C HIS A 108 15.543 -7.189 -4.353 1.00 0.00 C ATOM 1625 O HIS A 108 15.845 -6.038 -4.568 1.00 0.00 O ATOM 1626 CB HIS A 108 17.841 -8.072 -4.891 1.00 0.00 C ATOM 1627 CG HIS A 108 18.707 -9.071 -5.610 1.00 0.00 C ATOM 1628 ND1 HIS A 108 19.721 -8.699 -6.468 1.00 0.00 N ATOM 1629 CD2 HIS A 108 18.717 -10.427 -5.589 1.00 0.00 C ATOM 1630 CE1 HIS A 108 20.314 -9.780 -6.943 1.00 0.00 C ATOM 1631 NE2 HIS A 108 19.724 -10.840 -6.425 1.00 0.00 N ATOM 0 H HIS A 108 15.670 -7.472 -6.812 1.00 0.00 H new ATOM 0 HA HIS A 108 16.137 -9.278 -4.521 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.062 -7.077 -5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.112 -8.072 -3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.055 -11.064 -5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 108 21.141 -9.793 -7.637 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.976 -11.810 -6.615 1.00 0.00 H new ATOM 1640 N THR A 109 14.557 -7.519 -3.537 1.00 0.00 N ATOM 1641 CA THR A 109 13.674 -6.501 -2.948 1.00 0.00 C ATOM 1642 C THR A 109 14.064 -5.994 -1.562 1.00 0.00 C ATOM 1643 O THR A 109 14.395 -6.764 -0.662 1.00 0.00 O ATOM 1644 CB THR A 109 12.218 -7.024 -2.861 1.00 0.00 C ATOM 1645 OG1 THR A 109 11.977 -8.028 -3.854 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.195 -5.896 -3.016 1.00 0.00 C ATOM 0 H THR A 109 14.340 -8.477 -3.262 1.00 0.00 H new ATOM 0 HA THR A 109 13.775 -5.657 -3.630 1.00 0.00 H new ATOM 0 HB THR A 109 12.098 -7.460 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.053 -8.346 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.188 -6.307 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.341 -5.161 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.327 -5.416 -3.986 1.00 0.00 H new ATOM 1654 N LEU A 110 14.023 -4.658 -1.443 1.00 0.00 N ATOM 1655 CA LEU A 110 14.246 -3.957 -0.180 1.00 0.00 C ATOM 1656 C LEU A 110 12.918 -3.290 0.261 1.00 0.00 C ATOM 1657 O LEU A 110 12.578 -2.198 -0.205 1.00 0.00 O ATOM 1658 CB LEU A 110 15.387 -2.897 -0.366 1.00 0.00 C ATOM 1659 CG LEU A 110 15.024 -1.496 -0.959 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.262 -0.638 -1.123 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.312 -1.591 -2.301 1.00 0.00 C ATOM 0 H LEU A 110 13.833 -4.035 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 110 14.560 -4.654 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 110 15.848 -2.734 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.148 -3.340 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 110 14.342 -1.037 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 110 15.981 0.330 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 110 16.736 -0.494 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 110 16.961 -1.132 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.085 -0.589 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 110 14.955 -2.100 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.385 -2.153 -2.182 1.00 0.00 H new ATOM 1673 N GLN A 111 12.126 -3.935 1.129 1.00 0.00 N ATOM 1674 CA GLN A 111 10.876 -3.296 1.561 1.00 0.00 C ATOM 1675 C GLN A 111 10.502 -3.667 3.000 1.00 0.00 C ATOM 1676 O GLN A 111 9.837 -4.672 3.249 1.00 0.00 O ATOM 1677 CB GLN A 111 9.740 -3.637 0.553 1.00 0.00 C ATOM 1678 CG GLN A 111 8.385 -2.973 0.847 1.00 0.00 C ATOM 1679 CD GLN A 111 8.284 -1.514 0.405 1.00 0.00 C ATOM 1680 OE1 GLN A 111 7.212 -1.057 0.015 1.00 0.00 O ATOM 1681 NE2 GLN A 111 9.384 -0.769 0.479 1.00 0.00 N ATOM 0 H GLN A 111 12.315 -4.854 1.529 1.00 0.00 H new ATOM 0 HA GLN A 111 11.024 -2.216 1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.062 -3.343 -0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.601 -4.718 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 111 7.600 -3.544 0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.192 -3.029 1.918 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.258 -1.181 0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 111 9.354 0.214 0.207 1.00 0.00 H new ATOM 1690 N ALA A 112 10.933 -2.814 3.931 1.00 0.00 N ATOM 1691 CA ALA A 112 10.639 -2.971 5.353 1.00 0.00 C ATOM 1692 C ALA A 112 9.732 -1.846 5.835 1.00 0.00 C ATOM 1693 O ALA A 112 10.214 -0.750 6.150 1.00 0.00 O ATOM 1694 CB ALA A 112 11.928 -3.042 6.166 1.00 0.00 C ATOM 0 H ALA A 112 11.498 -1.992 3.717 1.00 0.00 H new ATOM 0 HA ALA A 112 10.108 -3.912 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.686 -3.159 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.522 -3.894 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.499 -2.124 6.024 1.00 0.00 H new ATOM 1700 N ILE A 113 8.420 -2.095 5.877 1.00 0.00 N ATOM 1701 CA ILE A 113 7.492 -1.064 6.328 1.00 0.00 C ATOM 1702 C ILE A 113 6.836 -1.419 7.676 1.00 0.00 C ATOM 1703 O ILE A 113 7.096 -0.731 8.667 1.00 0.00 O ATOM 1704 CB ILE A 113 6.459 -0.645 5.217 1.00 0.00 C ATOM 1705 CG1 ILE A 113 5.549 0.502 5.715 1.00 0.00 C ATOM 1706 CG2 ILE A 113 5.640 -1.820 4.673 1.00 0.00 C ATOM 1707 CD1 ILE A 113 5.070 1.453 4.632 1.00 0.00 C ATOM 0 H ILE A 113 7.988 -2.980 5.611 1.00 0.00 H new ATOM 0 HA ILE A 113 8.086 -0.170 6.515 1.00 0.00 H new ATOM 0 HB ILE A 113 7.044 -0.279 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.679 0.068 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.090 1.075 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.948 -1.460 3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.311 -2.559 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.077 -2.279 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.439 2.223 5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.930 1.921 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.497 0.899 3.889 1.00 0.00 H new ATOM 1719 N GLU A 114 5.995 -2.473 7.733 1.00 0.00 N ATOM 1720 CA GLU A 114 5.323 -2.842 9.012 1.00 0.00 C ATOM 1721 C GLU A 114 4.695 -4.244 8.906 1.00 0.00 C ATOM 1722 O GLU A 114 4.961 -4.958 7.949 1.00 0.00 O ATOM 1723 CB GLU A 114 4.280 -1.717 9.375 1.00 0.00 C ATOM 1724 CG GLU A 114 3.029 -2.130 10.161 1.00 0.00 C ATOM 1725 CD GLU A 114 3.240 -2.097 11.663 1.00 0.00 C ATOM 1726 OE1 GLU A 114 3.003 -1.033 12.272 1.00 0.00 O ATOM 1727 OE2 GLU A 114 3.641 -3.135 12.230 1.00 0.00 O ATOM 0 H GLU A 114 5.765 -3.071 6.940 1.00 0.00 H new ATOM 0 HA GLU A 114 6.046 -2.901 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.800 -0.951 9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.953 -1.250 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.206 -1.465 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.734 -3.136 9.862 1.00 0.00 H new ATOM 1734 N THR A 115 3.963 -4.673 9.944 1.00 0.00 N ATOM 1735 CA THR A 115 3.246 -5.941 9.902 1.00 0.00 C ATOM 1736 C THR A 115 1.756 -5.655 10.158 1.00 0.00 C ATOM 1737 O THR A 115 1.249 -5.819 11.275 1.00 0.00 O ATOM 1738 CB THR A 115 3.797 -6.957 10.941 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.210 -6.778 11.108 1.00 0.00 O ATOM 1740 CG2 THR A 115 3.526 -8.394 10.506 1.00 0.00 C ATOM 0 H THR A 115 3.856 -4.157 10.817 1.00 0.00 H new ATOM 0 HA THR A 115 3.384 -6.397 8.922 1.00 0.00 H new ATOM 0 HB THR A 115 3.286 -6.773 11.886 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.546 -7.422 11.766 1.00 0.00 H new ATOM 0 HG21 THR A 115 3.923 -9.081 11.253 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.451 -8.548 10.406 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.010 -8.581 9.547 1.00 0.00 H new ATOM 1748 N ARG A 116 1.078 -5.201 9.095 1.00 0.00 N ATOM 1749 CA ARG A 116 -0.350 -4.869 9.138 1.00 0.00 C ATOM 1750 C ARG A 116 -1.067 -5.465 7.931 1.00 0.00 C ATOM 1751 O ARG A 116 -0.668 -5.211 6.795 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.540 -3.345 9.165 1.00 0.00 C ATOM 1753 CG ARG A 116 -1.610 -2.866 10.142 1.00 0.00 C ATOM 1754 CD ARG A 116 -1.046 -2.647 11.541 1.00 0.00 C ATOM 1755 NE ARG A 116 -2.033 -2.048 12.446 1.00 0.00 N ATOM 1756 CZ ARG A 116 -1.803 -1.742 13.731 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -0.617 -1.973 14.293 1.00 0.00 N ATOM 1758 NH2 ARG A 116 -2.768 -1.195 14.456 1.00 0.00 N ATOM 0 H ARG A 116 1.506 -5.054 8.181 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.779 -5.293 10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.409 -2.876 9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.800 -3.005 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.045 -1.936 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -2.416 -3.599 10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.711 -3.600 11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -0.170 -2.001 11.481 1.00 0.00 H new ATOM 0 HE ARG A 116 -2.961 -1.850 12.071 1.00 0.00 H new ATOM 0 HH11 ARG A 116 0.135 -2.390 13.744 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.461 -1.733 15.272 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -3.679 -1.009 14.036 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -2.600 -0.960 15.434 1.00 0.00 H new ATOM 1772 N VAL A 117 -2.094 -6.280 8.179 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.863 -6.913 7.104 1.00 0.00 C ATOM 1774 C VAL A 117 -4.386 -6.721 7.263 1.00 0.00 C ATOM 1775 O VAL A 117 -5.033 -7.525 7.948 1.00 0.00 O ATOM 1776 CB VAL A 117 -2.542 -8.442 6.981 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -1.213 -8.663 6.274 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -2.528 -9.148 8.342 1.00 0.00 C ATOM 0 H VAL A 117 -2.414 -6.518 9.118 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.553 -6.407 6.190 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.344 -8.880 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.013 -9.732 6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.257 -8.233 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.415 -8.182 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.301 -10.205 8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.768 -8.695 8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.505 -9.047 8.815 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.976 -5.661 6.672 1.00 0.00 N ATOM 1789 CA LEU A 118 -6.425 -5.506 6.755 1.00 0.00 C ATOM 1790 C LEU A 118 -7.040 -5.794 5.387 1.00 0.00 C ATOM 1791 O LEU A 118 -6.766 -5.085 4.415 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.823 -4.108 7.272 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.657 -3.822 8.792 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -7.348 -4.874 9.660 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -5.184 -3.697 9.173 1.00 0.00 C ATOM 0 H LEU A 118 -4.486 -4.931 6.154 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.814 -6.222 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.236 -3.369 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.868 -3.940 7.012 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.148 -2.868 8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.203 -4.630 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.414 -4.889 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.920 -5.855 9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.100 -3.497 10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.667 -4.627 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.732 -2.878 8.614 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.853 -6.866 5.321 1.00 0.00 N ATOM 1808 CA ALA A 119 -8.505 -7.319 4.074 1.00 0.00 C ATOM 1809 C ALA A 119 -9.314 -6.216 3.388 1.00 0.00 C ATOM 1810 O ALA A 119 -10.356 -5.782 3.897 1.00 0.00 O ATOM 1811 CB ALA A 119 -9.383 -8.531 4.358 1.00 0.00 C ATOM 0 H ALA A 119 -8.077 -7.444 6.131 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.712 -7.596 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.860 -8.859 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.770 -9.339 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.148 -8.263 5.086 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.806 -5.758 2.231 1.00 0.00 N ATOM 1818 CA GLY A 120 -9.465 -4.706 1.482 1.00 0.00 C ATOM 1819 C GLY A 120 -9.028 -3.329 1.944 1.00 0.00 C ATOM 1820 O GLY A 120 -9.397 -2.311 1.355 1.00 0.00 O ATOM 0 H GLY A 120 -7.946 -6.105 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -9.243 -4.821 0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.545 -4.802 1.594 1.00 0.00 H new ATOM 1824 N SER A 121 -8.242 -3.325 3.016 1.00 0.00 N ATOM 1825 CA SER A 121 -7.704 -2.127 3.604 1.00 0.00 C ATOM 1826 C SER A 121 -6.177 -2.187 3.530 1.00 0.00 C ATOM 1827 O SER A 121 -5.621 -3.051 2.842 1.00 0.00 O ATOM 1828 CB SER A 121 -8.238 -1.913 5.030 1.00 0.00 C ATOM 1829 OG SER A 121 -7.925 -0.612 5.491 1.00 0.00 O ATOM 0 H SER A 121 -7.962 -4.177 3.502 1.00 0.00 H new ATOM 0 HA SER A 121 -8.034 -1.253 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.318 -2.060 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.806 -2.656 5.701 1.00 0.00 H new ATOM 0 HG SER A 121 -7.698 -0.040 4.728 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.504 -1.279 4.227 1.00 0.00 N ATOM 1836 CA LYS A 122 -4.051 -1.158 4.169 1.00 0.00 C ATOM 1837 C LYS A 122 -3.310 -2.360 4.742 1.00 0.00 C ATOM 1838 O LYS A 122 -3.790 -3.057 5.651 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.614 0.132 4.860 1.00 0.00 C ATOM 1840 CG LYS A 122 -4.056 1.378 4.091 1.00 0.00 C ATOM 1841 CD LYS A 122 -2.953 1.955 3.190 1.00 0.00 C ATOM 1842 CE LYS A 122 -2.702 1.118 1.932 1.00 0.00 C ATOM 1843 NZ LYS A 122 -1.824 -0.053 2.209 1.00 0.00 N ATOM 0 H LYS A 122 -5.950 -0.605 4.849 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.780 -1.125 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.031 0.162 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.529 0.137 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.924 1.131 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.373 2.142 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.226 2.968 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -2.027 2.028 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.654 0.771 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.243 1.743 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.182 -0.884 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.855 0.157 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.820 -0.250 3.230 1.00 0.00 H new ATOM 1857 N MET A 123 -2.146 -2.598 4.140 1.00 0.00 N ATOM 1858 CA MET A 123 -1.254 -3.682 4.517 1.00 0.00 C ATOM 1859 C MET A 123 0.190 -3.248 4.321 1.00 0.00 C ATOM 1860 O MET A 123 0.586 -2.817 3.234 1.00 0.00 O ATOM 1861 CB MET A 123 -1.570 -4.955 3.707 1.00 0.00 C ATOM 1862 CG MET A 123 -0.581 -6.113 3.885 1.00 0.00 C ATOM 1863 SD MET A 123 0.154 -6.664 2.329 1.00 0.00 S ATOM 1864 CE MET A 123 1.505 -5.504 2.139 1.00 0.00 C ATOM 0 H MET A 123 -1.795 -2.033 3.367 1.00 0.00 H new ATOM 0 HA MET A 123 -1.405 -3.919 5.570 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.565 -5.304 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.608 -4.692 2.650 1.00 0.00 H new ATOM 0 HG2 MET A 123 0.213 -5.804 4.565 1.00 0.00 H new ATOM 0 HG3 MET A 123 -1.094 -6.952 4.355 1.00 0.00 H new ATOM 0 HE1 MET A 123 2.314 -5.976 1.581 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.156 -4.624 1.598 1.00 0.00 H new ATOM 0 HE3 MET A 123 1.869 -5.205 3.122 1.00 0.00 H new ATOM 1874 N THR A 124 0.950 -3.360 5.397 1.00 0.00 N ATOM 1875 CA THR A 124 2.358 -3.015 5.406 1.00 0.00 C ATOM 1876 C THR A 124 3.155 -4.221 5.858 1.00 0.00 C ATOM 1877 O THR A 124 2.786 -4.869 6.841 1.00 0.00 O ATOM 1878 CB THR A 124 2.602 -1.811 6.328 1.00 0.00 C ATOM 1879 OG1 THR A 124 1.801 -1.929 7.508 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.259 -0.512 5.614 1.00 0.00 C ATOM 0 H THR A 124 0.603 -3.696 6.295 1.00 0.00 H new ATOM 0 HA THR A 124 2.680 -2.734 4.403 1.00 0.00 H new ATOM 0 HB THR A 124 3.657 -1.797 6.602 1.00 0.00 H new ATOM 0 HG1 THR A 124 1.575 -1.035 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.438 0.329 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.883 -0.409 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.209 -0.525 5.320 1.00 0.00 H new ATOM 1888 N VAL A 125 4.205 -4.558 5.099 1.00 0.00 N ATOM 1889 CA VAL A 125 5.035 -5.723 5.403 1.00 0.00 C ATOM 1890 C VAL A 125 6.539 -5.413 5.361 1.00 0.00 C ATOM 1891 O VAL A 125 6.972 -4.458 4.710 1.00 0.00 O ATOM 1892 CB VAL A 125 4.656 -6.898 4.462 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.172 -6.711 3.032 1.00 0.00 C ATOM 1894 CG2 VAL A 125 5.092 -8.247 5.033 1.00 0.00 C ATOM 0 H VAL A 125 4.497 -4.039 4.271 1.00 0.00 H new ATOM 0 HA VAL A 125 4.830 -6.018 6.432 1.00 0.00 H new ATOM 0 HB VAL A 125 3.568 -6.893 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 125 4.875 -7.565 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.750 -5.799 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.259 -6.635 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.808 -9.043 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.174 -8.253 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 125 4.606 -8.409 5.995 1.00 0.00 H new ATOM 1904 N ALA A 126 7.319 -6.233 6.072 1.00 0.00 N ATOM 1905 CA ALA A 126 8.765 -6.084 6.083 1.00 0.00 C ATOM 1906 C ALA A 126 9.419 -7.326 5.488 1.00 0.00 C ATOM 1907 O ALA A 126 9.447 -8.395 6.109 1.00 0.00 O ATOM 1908 CB ALA A 126 9.270 -5.810 7.496 1.00 0.00 C ATOM 0 H ALA A 126 6.969 -7.002 6.643 1.00 0.00 H new ATOM 0 HA ALA A 126 9.038 -5.226 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.355 -5.702 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.819 -4.891 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.998 -6.641 8.147 1.00 0.00 H new ATOM 1914 N ARG A 127 9.929 -7.167 4.260 1.00 0.00 N ATOM 1915 CA ARG A 127 10.582 -8.256 3.531 1.00 0.00 C ATOM 1916 C ARG A 127 11.721 -7.745 2.643 1.00 0.00 C ATOM 1917 O ARG A 127 11.569 -6.750 1.915 1.00 0.00 O ATOM 1918 CB ARG A 127 9.556 -9.011 2.668 1.00 0.00 C ATOM 1919 CG ARG A 127 9.858 -10.496 2.505 1.00 0.00 C ATOM 1920 CD ARG A 127 8.816 -11.183 1.638 1.00 0.00 C ATOM 1921 NE ARG A 127 9.097 -12.614 1.471 1.00 0.00 N ATOM 1922 CZ ARG A 127 8.367 -13.453 0.722 1.00 0.00 C ATOM 1923 NH1 ARG A 127 7.296 -13.027 0.055 1.00 0.00 N ATOM 1924 NH2 ARG A 127 8.715 -14.730 0.642 1.00 0.00 N ATOM 0 H ARG A 127 9.900 -6.285 3.749 1.00 0.00 H new ATOM 0 HA ARG A 127 11.008 -8.932 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.568 -8.898 3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.515 -8.548 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.844 -10.621 2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.889 -10.972 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.831 -11.057 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.785 -10.703 0.660 1.00 0.00 H new ATOM 0 HE ARG A 127 9.906 -12.998 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.018 -12.047 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.753 -13.681 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.533 -15.068 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.164 -15.374 0.074 1.00 0.00 H new ATOM 1938 N VAL A 128 12.868 -8.414 2.750 1.00 0.00 N ATOM 1939 CA VAL A 128 14.037 -8.105 1.929 1.00 0.00 C ATOM 1940 C VAL A 128 14.469 -9.365 1.161 1.00 0.00 C ATOM 1941 O VAL A 128 15.072 -10.277 1.737 1.00 0.00 O ATOM 1942 CB VAL A 128 15.216 -7.477 2.755 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.535 -8.271 4.018 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.475 -7.306 1.906 1.00 0.00 C ATOM 0 H VAL A 128 13.013 -9.182 3.405 1.00 0.00 H new ATOM 0 HA VAL A 128 13.754 -7.335 1.211 1.00 0.00 H new ATOM 0 HB VAL A 128 14.871 -6.490 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.357 -7.793 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.655 -8.301 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.821 -9.287 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.267 -6.869 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.798 -8.278 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.259 -6.649 1.064 1.00 0.00 H new ATOM 1954 N VAL A 129 14.144 -9.402 -0.137 1.00 0.00 N ATOM 1955 CA VAL A 129 14.489 -10.539 -0.999 1.00 0.00 C ATOM 1956 C VAL A 129 15.889 -10.335 -1.592 1.00 0.00 C ATOM 1957 O VAL A 129 16.071 -9.536 -2.513 1.00 0.00 O ATOM 1958 CB VAL A 129 13.441 -10.758 -2.141 1.00 0.00 C ATOM 1959 CG1 VAL A 129 13.634 -12.112 -2.823 1.00 0.00 C ATOM 1960 CG2 VAL A 129 12.012 -10.645 -1.616 1.00 0.00 C ATOM 0 H VAL A 129 13.641 -8.655 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 129 14.480 -11.437 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 129 13.605 -9.970 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 129 12.890 -12.232 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 129 14.633 -12.162 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 129 13.517 -12.909 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.310 -10.802 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 129 11.846 -11.399 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 129 11.858 -9.653 -1.191 1.00 0.00 H new