USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 735 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 82 THR OG1 : rot -97:sc= 0.677 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.563 X(o=1.2,f=1.4) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.79) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= -0.0252 USER MOD Set 3.2: A 11 GLN : amide:sc= -0.421 K(o=-0.45,f=-2.9!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.816 K(o=-0.82,f=-2.5) USER MOD Single : A 15 SER OG : rot 180:sc= -0.751 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -105:sc= -5.37! (180deg=-11.7!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= 0.74 (180deg=-0.147) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -0.38 (180deg=-0.498) USER MOD Single : A 36 SER OG : rot 180:sc= -0.29 USER MOD Single : A 39 SER OG : rot -176:sc= -0.607 USER MOD Single : A 41 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.72) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 30:sc= 0.0509 USER MOD Single : A 57 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.49) USER MOD Single : A 61 SER OG : rot 180:sc= -0.675 USER MOD Single : A 62 SER OG : rot -146:sc= -1.84! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 65 THR OG1 : rot 90:sc= 1.33 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.0071) USER MOD Single : A 70 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.8!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 89 SER OG : rot 176:sc= 0.00226 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.8!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -18.478 7.909 3.308 1.00 0.00 N ATOM 2 CA ARG A 1 -19.758 7.228 3.637 1.00 0.00 C ATOM 3 C ARG A 1 -19.521 6.014 4.540 1.00 0.00 C ATOM 4 O ARG A 1 -19.928 6.011 5.704 1.00 0.00 O ATOM 5 CB ARG A 1 -20.436 6.806 2.325 1.00 0.00 C ATOM 6 CG ARG A 1 -21.819 6.191 2.514 1.00 0.00 C ATOM 7 CD ARG A 1 -22.154 5.194 1.408 1.00 0.00 C ATOM 8 NE ARG A 1 -23.247 4.289 1.789 1.00 0.00 N ATOM 9 CZ ARG A 1 -23.639 3.219 1.080 1.00 0.00 C ATOM 10 NH1 ARG A 1 -23.033 2.877 -0.056 1.00 0.00 N ATOM 11 NH2 ARG A 1 -24.649 2.480 1.518 1.00 0.00 N ATOM 0 H1 ARG A 1 -18.668 8.728 2.695 1.00 0.00 H new ATOM 0 H2 ARG A 1 -18.021 8.231 4.185 1.00 0.00 H new ATOM 0 H3 ARG A 1 -17.849 7.245 2.813 1.00 0.00 H new ATOM 0 HA ARG A 1 -20.405 7.914 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.522 7.677 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.797 6.088 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -21.864 5.690 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -22.569 6.982 2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -22.432 5.736 0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -21.267 4.608 1.168 1.00 0.00 H new ATOM 0 HE ARG A 1 -23.745 4.489 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -22.252 3.433 -0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -23.350 2.059 -0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -25.122 2.726 2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -24.953 1.665 0.985 1.00 0.00 H new ATOM 27 N VAL A 2 -18.867 4.982 3.993 1.00 0.00 N ATOM 28 CA VAL A 2 -18.581 3.745 4.749 1.00 0.00 C ATOM 29 C VAL A 2 -17.115 3.321 4.594 1.00 0.00 C ATOM 30 O VAL A 2 -16.508 2.808 5.536 1.00 0.00 O ATOM 31 CB VAL A 2 -19.504 2.533 4.342 1.00 0.00 C ATOM 32 CG1 VAL A 2 -19.960 1.768 5.579 1.00 0.00 C ATOM 33 CG2 VAL A 2 -20.727 2.969 3.535 1.00 0.00 C ATOM 0 H VAL A 2 -18.524 4.974 3.032 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.792 3.993 5.789 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.901 1.885 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.596 0.935 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.089 1.386 6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.521 2.435 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.327 2.095 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.326 3.661 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.402 3.463 2.619 1.00 0.00 H new ATOM 43 N LEU A 3 -16.567 3.519 3.397 1.00 0.00 N ATOM 44 CA LEU A 3 -15.181 3.145 3.083 1.00 0.00 C ATOM 45 C LEU A 3 -14.162 3.817 4.009 1.00 0.00 C ATOM 46 O LEU A 3 -14.145 5.042 4.149 1.00 0.00 O ATOM 47 CB LEU A 3 -14.856 3.497 1.626 1.00 0.00 C ATOM 48 CG LEU A 3 -15.376 2.511 0.581 1.00 0.00 C ATOM 49 CD1 LEU A 3 -16.896 2.420 0.628 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.912 2.931 -0.800 1.00 0.00 C ATOM 0 H LEU A 3 -17.067 3.942 2.615 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.104 2.069 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.268 4.482 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.774 3.574 1.521 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.974 1.523 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.242 1.712 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.210 2.081 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.326 3.401 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.286 2.224 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.293 3.927 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.822 2.944 -0.829 1.00 0.00 H new ATOM 62 N GLN A 4 -13.298 2.996 4.615 1.00 0.00 N ATOM 63 CA GLN A 4 -12.248 3.477 5.507 1.00 0.00 C ATOM 64 C GLN A 4 -10.931 2.790 5.159 1.00 0.00 C ATOM 65 O GLN A 4 -10.924 1.603 4.830 1.00 0.00 O ATOM 66 CB GLN A 4 -12.620 3.196 6.963 1.00 0.00 C ATOM 67 CG GLN A 4 -11.933 4.116 7.956 1.00 0.00 C ATOM 68 CD GLN A 4 -10.599 3.570 8.438 1.00 0.00 C ATOM 69 OE1 GLN A 4 -9.546 3.930 7.913 1.00 0.00 O ATOM 70 NE2 GLN A 4 -10.636 2.695 9.441 1.00 0.00 N ATOM 0 H GLN A 4 -13.310 1.983 4.499 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.137 4.554 5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.700 3.293 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.365 2.163 7.201 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.776 5.090 7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.588 4.272 8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.531 2.423 9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.769 2.296 9.802 1.00 0.00 H new ATOM 79 N VAL A 5 -9.824 3.539 5.221 1.00 0.00 N ATOM 80 CA VAL A 5 -8.504 2.986 4.894 1.00 0.00 C ATOM 81 C VAL A 5 -7.404 3.653 5.723 1.00 0.00 C ATOM 82 O VAL A 5 -7.464 4.853 5.998 1.00 0.00 O ATOM 83 CB VAL A 5 -8.157 3.149 3.388 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.945 2.303 3.017 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.341 2.787 2.494 1.00 0.00 C ATOM 0 H VAL A 5 -9.815 4.522 5.492 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.554 1.923 5.131 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.919 4.200 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.721 2.433 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.087 2.617 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.159 1.253 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.060 2.914 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.626 1.750 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.184 3.439 2.724 1.00 0.00 H new ATOM 95 N ASP A 6 -6.394 2.863 6.099 1.00 0.00 N ATOM 96 CA ASP A 6 -5.261 3.364 6.878 1.00 0.00 C ATOM 97 C ASP A 6 -4.042 2.484 6.631 1.00 0.00 C ATOM 98 O ASP A 6 -4.192 1.288 6.381 1.00 0.00 O ATOM 99 CB ASP A 6 -5.606 3.388 8.370 1.00 0.00 C ATOM 100 CG ASP A 6 -6.434 4.600 8.753 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.051 5.726 8.369 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.465 4.423 9.434 1.00 0.00 O ATOM 0 H ASP A 6 -6.339 1.870 5.875 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.036 4.383 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.153 2.481 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.685 3.382 8.953 1.00 0.00 H new ATOM 107 N ILE A 7 -2.838 3.070 6.681 1.00 0.00 N ATOM 108 CA ILE A 7 -1.608 2.307 6.443 1.00 0.00 C ATOM 109 C ILE A 7 -0.645 2.389 7.630 1.00 0.00 C ATOM 110 O ILE A 7 -0.020 3.425 7.865 1.00 0.00 O ATOM 111 CB ILE A 7 -0.876 2.768 5.152 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.846 2.781 3.961 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.333 1.861 4.856 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.259 3.393 2.706 1.00 0.00 C ATOM 0 H ILE A 7 -2.691 4.059 6.882 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.920 1.270 6.316 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.509 3.782 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.157 1.759 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.743 3.335 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.830 2.202 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.033 1.903 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.007 0.834 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.001 3.368 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.974 4.426 2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.379 2.826 2.402 1.00 0.00 H new ATOM 126 N VAL A 8 -0.513 1.272 8.353 1.00 0.00 N ATOM 127 CA VAL A 8 0.386 1.183 9.491 1.00 0.00 C ATOM 128 C VAL A 8 1.757 0.642 9.026 1.00 0.00 C ATOM 129 O VAL A 8 1.806 -0.419 8.396 1.00 0.00 O ATOM 130 CB VAL A 8 -0.193 0.234 10.567 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.695 0.186 11.809 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.611 0.641 10.949 1.00 0.00 C ATOM 0 H VAL A 8 -1.027 0.412 8.161 1.00 0.00 H new ATOM 0 HA VAL A 8 0.503 2.178 9.920 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.223 -0.766 10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.257 -0.490 12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.687 -0.171 11.533 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.775 1.185 12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.994 -0.043 11.707 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.604 1.656 11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.251 0.601 10.068 1.00 0.00 H new ATOM 142 N PRO A 9 2.896 1.334 9.315 1.00 0.00 N ATOM 143 CA PRO A 9 2.951 2.607 10.057 1.00 0.00 C ATOM 144 C PRO A 9 2.692 3.813 9.155 1.00 0.00 C ATOM 145 O PRO A 9 2.572 3.665 7.937 1.00 0.00 O ATOM 146 CB PRO A 9 4.390 2.626 10.564 1.00 0.00 C ATOM 147 CG PRO A 9 5.160 1.961 9.476 1.00 0.00 C ATOM 148 CD PRO A 9 4.252 0.896 8.915 1.00 0.00 C ATOM 0 HA PRO A 9 2.194 2.670 10.839 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.740 3.644 10.737 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.488 2.091 11.508 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.444 2.677 8.705 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.082 1.525 9.861 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.344 0.823 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.490 -0.087 9.322 1.00 0.00 H new ATOM 156 N SER A 10 2.626 5.004 9.759 1.00 0.00 N ATOM 157 CA SER A 10 2.404 6.239 9.005 1.00 0.00 C ATOM 158 C SER A 10 3.651 6.585 8.191 1.00 0.00 C ATOM 159 O SER A 10 3.555 7.010 7.038 1.00 0.00 O ATOM 160 CB SER A 10 2.055 7.395 9.948 1.00 0.00 C ATOM 161 OG SER A 10 2.840 7.348 11.126 1.00 0.00 O ATOM 0 H SER A 10 2.723 5.137 10.766 1.00 0.00 H new ATOM 0 HA SER A 10 1.565 6.083 8.327 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.215 8.345 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.998 7.348 10.210 1.00 0.00 H new ATOM 0 HG SER A 10 2.599 8.097 11.710 1.00 0.00 H new ATOM 167 N GLN A 11 4.823 6.382 8.804 1.00 0.00 N ATOM 168 CA GLN A 11 6.107 6.648 8.155 1.00 0.00 C ATOM 169 C GLN A 11 7.112 5.564 8.536 1.00 0.00 C ATOM 170 O GLN A 11 7.414 5.385 9.719 1.00 0.00 O ATOM 171 CB GLN A 11 6.642 8.035 8.539 1.00 0.00 C ATOM 172 CG GLN A 11 6.573 8.345 10.032 1.00 0.00 C ATOM 173 CD GLN A 11 5.269 9.020 10.446 1.00 0.00 C ATOM 174 OE1 GLN A 11 4.436 9.369 9.607 1.00 0.00 O ATOM 175 NE2 GLN A 11 5.085 9.214 11.752 1.00 0.00 N ATOM 0 H GLN A 11 4.906 6.031 9.758 1.00 0.00 H new ATOM 0 HA GLN A 11 5.959 6.635 7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.678 8.115 8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.076 8.792 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.690 7.419 10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.410 8.989 10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.796 8.912 12.418 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.233 9.664 12.086 1.00 0.00 H new ATOM 184 N GLY A 12 7.606 4.823 7.531 1.00 0.00 N ATOM 185 CA GLY A 12 8.553 3.735 7.786 1.00 0.00 C ATOM 186 C GLY A 12 9.945 3.983 7.225 1.00 0.00 C ATOM 187 O GLY A 12 10.159 3.863 6.018 1.00 0.00 O ATOM 0 H GLY A 12 7.367 4.957 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.629 3.578 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.158 2.815 7.356 1.00 0.00 H new ATOM 191 N GLU A 13 10.899 4.297 8.111 1.00 0.00 N ATOM 192 CA GLU A 13 12.286 4.529 7.704 1.00 0.00 C ATOM 193 C GLU A 13 13.033 3.197 7.644 1.00 0.00 C ATOM 194 O GLU A 13 12.958 2.400 8.582 1.00 0.00 O ATOM 195 CB GLU A 13 12.977 5.485 8.681 1.00 0.00 C ATOM 196 CG GLU A 13 12.739 6.952 8.367 1.00 0.00 C ATOM 197 CD GLU A 13 11.308 7.381 8.621 1.00 0.00 C ATOM 198 OE1 GLU A 13 10.432 7.048 7.796 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.063 8.051 9.646 1.00 0.00 O ATOM 0 H GLU A 13 10.733 4.396 9.113 1.00 0.00 H new ATOM 0 HA GLU A 13 12.294 4.987 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.624 5.276 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.049 5.289 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.409 7.562 8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.991 7.141 7.323 1.00 0.00 H new ATOM 206 N ILE A 14 13.736 2.952 6.532 1.00 0.00 N ATOM 207 CA ILE A 14 14.474 1.699 6.343 1.00 0.00 C ATOM 208 C ILE A 14 15.754 1.950 5.522 1.00 0.00 C ATOM 209 O ILE A 14 15.897 3.001 4.904 1.00 0.00 O ATOM 210 CB ILE A 14 13.529 0.647 5.657 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.438 0.201 6.653 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.270 -0.576 5.100 1.00 0.00 C ATOM 213 CD1 ILE A 14 11.151 1.001 6.559 1.00 0.00 C ATOM 0 H ILE A 14 13.809 3.604 5.751 1.00 0.00 H new ATOM 0 HA ILE A 14 14.788 1.300 7.307 1.00 0.00 H new ATOM 0 HB ILE A 14 13.079 1.145 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.213 -0.852 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.831 0.282 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.554 -1.258 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.994 -0.253 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.790 -1.087 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.435 0.626 7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.360 2.052 6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.732 0.900 5.558 1.00 0.00 H new ATOM 225 N SER A 15 16.681 0.981 5.529 1.00 0.00 N ATOM 226 CA SER A 15 17.938 1.097 4.781 1.00 0.00 C ATOM 227 C SER A 15 17.909 0.198 3.539 1.00 0.00 C ATOM 228 O SER A 15 17.160 -0.785 3.485 1.00 0.00 O ATOM 229 CB SER A 15 19.143 0.740 5.672 1.00 0.00 C ATOM 230 OG SER A 15 18.757 -0.043 6.790 1.00 0.00 O ATOM 0 H SER A 15 16.582 0.107 6.046 1.00 0.00 H new ATOM 0 HA SER A 15 18.046 2.133 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.881 0.195 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.624 1.655 6.018 1.00 0.00 H new ATOM 0 HG SER A 15 19.547 -0.252 7.331 1.00 0.00 H new ATOM 236 N VAL A 16 18.747 0.532 2.545 1.00 0.00 N ATOM 237 CA VAL A 16 18.833 -0.247 1.303 1.00 0.00 C ATOM 238 C VAL A 16 19.296 -1.673 1.606 1.00 0.00 C ATOM 239 O VAL A 16 20.120 -1.885 2.500 1.00 0.00 O ATOM 240 CB VAL A 16 19.782 0.425 0.272 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.806 -0.332 -1.053 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.375 1.874 0.035 1.00 0.00 C ATOM 0 H VAL A 16 19.374 1.336 2.579 1.00 0.00 H new ATOM 0 HA VAL A 16 17.838 -0.283 0.860 1.00 0.00 H new ATOM 0 HB VAL A 16 20.787 0.399 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.481 0.170 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.152 -1.352 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.802 -0.356 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.051 2.328 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.356 1.907 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.427 2.425 0.974 1.00 0.00 H new ATOM 252 N GLY A 17 18.717 -2.641 0.892 1.00 0.00 N ATOM 253 CA GLY A 17 19.035 -4.038 1.133 1.00 0.00 C ATOM 254 C GLY A 17 18.147 -4.659 2.213 1.00 0.00 C ATOM 255 O GLY A 17 18.199 -5.872 2.430 1.00 0.00 O ATOM 0 H GLY A 17 18.034 -2.480 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.921 -4.599 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.080 -4.124 1.431 1.00 0.00 H new ATOM 259 N GLU A 18 17.323 -3.831 2.891 1.00 0.00 N ATOM 260 CA GLU A 18 16.424 -4.305 3.937 1.00 0.00 C ATOM 261 C GLU A 18 15.001 -4.338 3.402 1.00 0.00 C ATOM 262 O GLU A 18 14.656 -3.560 2.510 1.00 0.00 O ATOM 263 CB GLU A 18 16.478 -3.379 5.158 1.00 0.00 C ATOM 264 CG GLU A 18 17.880 -3.008 5.619 1.00 0.00 C ATOM 265 CD GLU A 18 18.396 -3.904 6.730 1.00 0.00 C ATOM 266 OE1 GLU A 18 17.902 -3.780 7.870 1.00 0.00 O ATOM 267 OE2 GLU A 18 19.296 -4.728 6.459 1.00 0.00 O ATOM 0 H GLU A 18 17.271 -2.826 2.722 1.00 0.00 H new ATOM 0 HA GLU A 18 16.737 -5.305 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.933 -2.464 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.955 -3.860 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.562 -3.062 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.881 -1.974 5.964 1.00 0.00 H new ATOM 274 N SER A 19 14.172 -5.232 3.947 1.00 0.00 N ATOM 275 CA SER A 19 12.782 -5.348 3.510 1.00 0.00 C ATOM 276 C SER A 19 11.864 -4.478 4.373 1.00 0.00 C ATOM 277 O SER A 19 12.201 -4.149 5.513 1.00 0.00 O ATOM 278 CB SER A 19 12.332 -6.807 3.531 1.00 0.00 C ATOM 279 OG SER A 19 12.460 -7.371 4.825 1.00 0.00 O ATOM 0 H SER A 19 14.439 -5.881 4.687 1.00 0.00 H new ATOM 0 HA SER A 19 12.716 -4.987 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.294 -6.874 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.927 -7.383 2.822 1.00 0.00 H new ATOM 0 HG SER A 19 12.163 -8.305 4.806 1.00 0.00 H new ATOM 285 N LYS A 20 10.713 -4.093 3.811 1.00 0.00 N ATOM 286 CA LYS A 20 9.747 -3.237 4.511 1.00 0.00 C ATOM 287 C LYS A 20 8.338 -3.447 3.967 1.00 0.00 C ATOM 288 O LYS A 20 8.083 -3.202 2.786 1.00 0.00 O ATOM 289 CB LYS A 20 10.123 -1.745 4.371 1.00 0.00 C ATOM 290 CG LYS A 20 10.684 -1.364 2.996 1.00 0.00 C ATOM 291 CD LYS A 20 9.998 -0.135 2.389 1.00 0.00 C ATOM 292 CE LYS A 20 10.973 0.764 1.635 1.00 0.00 C ATOM 293 NZ LYS A 20 10.382 1.340 0.382 1.00 0.00 N ATOM 0 H LYS A 20 10.426 -4.362 2.870 1.00 0.00 H new ATOM 0 HA LYS A 20 9.773 -3.516 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.239 -1.139 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.860 -1.495 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.753 -1.169 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.571 -2.209 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.210 -0.461 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.519 0.439 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.291 1.577 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.865 0.192 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.774 0.846 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.349 1.221 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.613 2.352 0.323 1.00 0.00 H new ATOM 307 N PHE A 21 7.420 -3.882 4.838 1.00 0.00 N ATOM 308 CA PHE A 21 6.024 -4.105 4.448 1.00 0.00 C ATOM 309 C PHE A 21 5.102 -3.101 5.129 1.00 0.00 C ATOM 310 O PHE A 21 5.372 -2.667 6.251 1.00 0.00 O ATOM 311 CB PHE A 21 5.581 -5.540 4.757 1.00 0.00 C ATOM 312 CG PHE A 21 5.610 -5.917 6.210 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.625 -5.475 7.078 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.623 -6.721 6.702 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.649 -5.829 8.412 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.655 -7.081 8.037 1.00 0.00 C ATOM 317 CZ PHE A 21 5.666 -6.633 8.893 1.00 0.00 C ATOM 0 H PHE A 21 7.619 -4.086 5.817 1.00 0.00 H new ATOM 0 HA PHE A 21 5.956 -3.958 3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.567 -5.679 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.222 -6.228 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.829 -4.846 6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.398 -7.071 6.036 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.875 -5.479 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.450 -7.710 8.410 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.688 -6.911 9.936 1.00 0.00 H new ATOM 327 N PHE A 22 4.015 -2.727 4.441 1.00 0.00 N ATOM 328 CA PHE A 22 3.050 -1.759 4.983 1.00 0.00 C ATOM 329 C PHE A 22 1.640 -2.331 4.995 1.00 0.00 C ATOM 330 O PHE A 22 1.087 -2.682 3.956 1.00 0.00 O ATOM 331 CB PHE A 22 3.116 -0.460 4.187 1.00 0.00 C ATOM 332 CG PHE A 22 4.474 0.159 4.278 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.479 -0.235 3.417 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.758 1.096 5.255 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.744 0.299 3.519 1.00 0.00 C ATOM 336 CE2 PHE A 22 6.026 1.631 5.373 1.00 0.00 C ATOM 337 CZ PHE A 22 7.023 1.232 4.501 1.00 0.00 C ATOM 0 H PHE A 22 3.782 -3.078 3.512 1.00 0.00 H new ATOM 0 HA PHE A 22 3.316 -1.545 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.872 -0.657 3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.369 0.239 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.270 -0.971 2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.980 1.413 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.518 -0.011 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.238 2.358 6.143 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.016 1.648 4.587 1.00 0.00 H new ATOM 347 N LEU A 23 1.072 -2.434 6.193 1.00 0.00 N ATOM 348 CA LEU A 23 -0.265 -2.992 6.370 1.00 0.00 C ATOM 349 C LEU A 23 -1.351 -1.991 5.993 1.00 0.00 C ATOM 350 O LEU A 23 -1.332 -0.867 6.458 1.00 0.00 O ATOM 351 CB LEU A 23 -0.444 -3.400 7.842 1.00 0.00 C ATOM 352 CG LEU A 23 -1.426 -4.540 8.130 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.769 -4.322 7.440 1.00 0.00 C ATOM 354 CD2 LEU A 23 -0.820 -5.879 7.729 1.00 0.00 C ATOM 0 H LEU A 23 1.520 -2.137 7.060 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.362 -3.856 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.532 -3.685 8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.770 -2.522 8.400 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.614 -4.550 9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.436 -5.153 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.213 -3.392 7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.619 -4.265 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.531 -6.678 7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.590 -5.870 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.095 -6.048 8.296 1.00 0.00 H new ATOM 366 N CYS A 24 -2.314 -2.420 5.168 1.00 0.00 N ATOM 367 CA CYS A 24 -3.431 -1.560 4.762 1.00 0.00 C ATOM 368 C CYS A 24 -4.743 -2.112 5.313 1.00 0.00 C ATOM 369 O CYS A 24 -5.331 -3.033 4.734 1.00 0.00 O ATOM 370 CB CYS A 24 -3.512 -1.444 3.241 1.00 0.00 C ATOM 371 SG CYS A 24 -4.632 -0.134 2.651 1.00 0.00 S ATOM 0 H CYS A 24 -2.342 -3.358 4.769 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.258 -0.564 5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.513 -1.256 2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.841 -2.399 2.832 1.00 0.00 H new ATOM 376 N GLN A 25 -5.192 -1.538 6.438 1.00 0.00 N ATOM 377 CA GLN A 25 -6.433 -1.953 7.081 1.00 0.00 C ATOM 378 C GLN A 25 -7.600 -1.161 6.511 1.00 0.00 C ATOM 379 O GLN A 25 -7.402 -0.073 5.956 1.00 0.00 O ATOM 380 CB GLN A 25 -6.347 -1.742 8.594 1.00 0.00 C ATOM 381 CG GLN A 25 -5.509 -2.791 9.307 1.00 0.00 C ATOM 382 CD GLN A 25 -4.967 -2.298 10.638 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.662 -1.605 11.381 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.723 -2.653 10.951 1.00 0.00 N ATOM 0 H GLN A 25 -4.706 -0.781 6.919 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.591 -3.014 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.926 -0.756 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.354 -1.748 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.113 -3.683 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.677 -3.084 8.666 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.180 -3.229 10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.313 -2.350 11.834 1.00 0.00 H new ATOM 393 N VAL A 26 -8.817 -1.707 6.634 1.00 0.00 N ATOM 394 CA VAL A 26 -10.011 -1.045 6.111 1.00 0.00 C ATOM 395 C VAL A 26 -11.198 -1.130 7.077 1.00 0.00 C ATOM 396 O VAL A 26 -11.160 -1.876 8.059 1.00 0.00 O ATOM 397 CB VAL A 26 -10.415 -1.644 4.735 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.267 -1.515 3.739 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.872 -3.111 4.855 1.00 0.00 C ATOM 0 H VAL A 26 -8.997 -2.602 7.090 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.755 0.008 5.990 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.266 -1.071 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.567 -1.939 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.016 -0.462 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.396 -2.051 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.145 -3.489 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.060 -3.713 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.735 -3.170 5.518 1.00 0.00 H new ATOM 409 N ALA A 27 -12.254 -0.374 6.766 1.00 0.00 N ATOM 410 CA ALA A 27 -13.469 -0.366 7.577 1.00 0.00 C ATOM 411 C ALA A 27 -14.645 0.184 6.772 1.00 0.00 C ATOM 412 O ALA A 27 -14.560 1.283 6.217 1.00 0.00 O ATOM 413 CB ALA A 27 -13.256 0.440 8.854 1.00 0.00 C ATOM 0 H ALA A 27 -12.289 0.242 5.954 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.703 -1.392 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.172 0.434 9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.447 -0.004 9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.996 1.467 8.597 1.00 0.00 H new ATOM 419 N GLY A 28 -15.734 -0.591 6.703 1.00 0.00 N ATOM 420 CA GLY A 28 -16.909 -0.169 5.957 1.00 0.00 C ATOM 421 C GLY A 28 -17.734 -1.340 5.455 1.00 0.00 C ATOM 422 O GLY A 28 -17.512 -2.480 5.866 1.00 0.00 O ATOM 0 H GLY A 28 -15.819 -1.503 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.530 0.463 6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.597 0.441 5.109 1.00 0.00 H new ATOM 426 N ASP A 29 -18.694 -1.056 4.565 1.00 0.00 N ATOM 427 CA ASP A 29 -19.565 -2.093 4.006 1.00 0.00 C ATOM 428 C ASP A 29 -20.384 -1.557 2.820 1.00 0.00 C ATOM 429 O ASP A 29 -21.525 -1.979 2.600 1.00 0.00 O ATOM 430 CB ASP A 29 -20.497 -2.638 5.098 1.00 0.00 C ATOM 431 CG ASP A 29 -21.208 -3.907 4.674 1.00 0.00 C ATOM 432 OD1 ASP A 29 -20.525 -4.931 4.469 1.00 0.00 O ATOM 433 OD2 ASP A 29 -22.451 -3.876 4.546 1.00 0.00 O ATOM 0 H ASP A 29 -18.885 -0.116 4.218 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.936 -2.902 3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.918 -2.834 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.237 -1.879 5.352 1.00 0.00 H new ATOM 438 N ALA A 30 -19.791 -0.635 2.051 1.00 0.00 N ATOM 439 CA ALA A 30 -20.458 -0.052 0.887 1.00 0.00 C ATOM 440 C ALA A 30 -20.204 -0.905 -0.359 1.00 0.00 C ATOM 441 O ALA A 30 -19.281 -0.633 -1.132 1.00 0.00 O ATOM 442 CB ALA A 30 -19.989 1.386 0.676 1.00 0.00 C ATOM 0 H ALA A 30 -18.850 -0.279 2.217 1.00 0.00 H new ATOM 0 HA ALA A 30 -21.533 -0.036 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -20.493 1.809 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.228 1.980 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -18.911 1.397 0.512 1.00 0.00 H new ATOM 448 N LYS A 31 -21.020 -1.956 -0.545 1.00 0.00 N ATOM 449 CA LYS A 31 -20.877 -2.867 -1.693 1.00 0.00 C ATOM 450 C LYS A 31 -19.472 -3.482 -1.732 1.00 0.00 C ATOM 451 O LYS A 31 -18.679 -3.263 -0.812 1.00 0.00 O ATOM 452 CB LYS A 31 -21.171 -2.120 -3.001 1.00 0.00 C ATOM 453 CG LYS A 31 -22.611 -1.656 -3.122 1.00 0.00 C ATOM 454 CD LYS A 31 -22.838 -0.342 -2.386 1.00 0.00 C ATOM 455 CE LYS A 31 -24.064 0.404 -2.905 1.00 0.00 C ATOM 456 NZ LYS A 31 -23.687 1.623 -3.673 1.00 0.00 N ATOM 0 H LYS A 31 -21.786 -2.196 0.085 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.598 -3.677 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.512 -1.255 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.935 -2.771 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.868 -1.534 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -23.276 -2.420 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -22.959 -0.540 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.957 0.290 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -24.650 -0.259 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -24.700 0.686 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -24.040 2.467 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -22.651 1.676 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -24.106 1.578 -4.624 1.00 0.00 H new ATOM 470 N ASP A 32 -19.165 -4.241 -2.791 1.00 0.00 N ATOM 471 CA ASP A 32 -17.847 -4.874 -2.933 1.00 0.00 C ATOM 472 C ASP A 32 -16.729 -3.828 -2.980 1.00 0.00 C ATOM 473 O ASP A 32 -16.859 -2.799 -3.648 1.00 0.00 O ATOM 474 CB ASP A 32 -17.793 -5.739 -4.192 1.00 0.00 C ATOM 475 CG ASP A 32 -18.780 -6.889 -4.151 1.00 0.00 C ATOM 476 OD1 ASP A 32 -18.459 -7.925 -3.532 1.00 0.00 O ATOM 477 OD2 ASP A 32 -19.873 -6.754 -4.739 1.00 0.00 O ATOM 0 H ASP A 32 -19.808 -4.432 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.695 -5.506 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -18.000 -5.118 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.785 -6.134 -4.314 1.00 0.00 H new ATOM 482 N LYS A 33 -15.636 -4.101 -2.263 1.00 0.00 N ATOM 483 CA LYS A 33 -14.486 -3.192 -2.207 1.00 0.00 C ATOM 484 C LYS A 33 -13.310 -3.782 -2.986 1.00 0.00 C ATOM 485 O LYS A 33 -13.205 -5.003 -3.125 1.00 0.00 O ATOM 486 CB LYS A 33 -14.083 -2.925 -0.745 1.00 0.00 C ATOM 487 CG LYS A 33 -15.266 -2.642 0.198 1.00 0.00 C ATOM 488 CD LYS A 33 -15.190 -1.263 0.852 1.00 0.00 C ATOM 489 CE LYS A 33 -14.401 -1.299 2.151 1.00 0.00 C ATOM 490 NZ LYS A 33 -13.030 -1.845 1.957 1.00 0.00 N ATOM 0 H LYS A 33 -15.522 -4.950 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.767 -2.244 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.533 -3.787 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.401 -2.075 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.198 -2.722 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.295 -3.406 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.724 -0.559 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.198 -0.897 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.335 -0.292 2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.933 -1.908 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.477 -1.712 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.088 -2.860 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.565 -1.346 1.172 1.00 0.00 H new ATOM 504 N ASP A 34 -12.436 -2.910 -3.510 1.00 0.00 N ATOM 505 CA ASP A 34 -11.276 -3.350 -4.298 1.00 0.00 C ATOM 506 C ASP A 34 -10.004 -2.603 -3.891 1.00 0.00 C ATOM 507 O ASP A 34 -9.833 -1.432 -4.232 1.00 0.00 O ATOM 508 CB ASP A 34 -11.543 -3.132 -5.791 1.00 0.00 C ATOM 509 CG ASP A 34 -12.806 -3.825 -6.265 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.832 -5.073 -6.272 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.771 -3.118 -6.625 1.00 0.00 O ATOM 0 H ASP A 34 -12.510 -1.898 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.125 -4.411 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.623 -2.063 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.693 -3.500 -6.366 1.00 0.00 H new ATOM 516 N ILE A 35 -9.109 -3.295 -3.176 1.00 0.00 N ATOM 517 CA ILE A 35 -7.847 -2.706 -2.728 1.00 0.00 C ATOM 518 C ILE A 35 -6.878 -2.517 -3.907 1.00 0.00 C ATOM 519 O ILE A 35 -6.869 -3.308 -4.853 1.00 0.00 O ATOM 520 CB ILE A 35 -7.166 -3.576 -1.624 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.124 -3.797 -0.436 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.850 -2.942 -1.143 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.998 -5.031 -0.567 1.00 0.00 C ATOM 0 H ILE A 35 -9.239 -4.267 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.084 -1.731 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.930 -4.544 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.538 -3.875 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.764 -2.921 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.402 -3.572 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.162 -2.849 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.052 -1.954 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.642 -5.115 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.612 -4.948 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.368 -5.917 -0.640 1.00 0.00 H new ATOM 535 N SER A 36 -6.052 -1.469 -3.818 1.00 0.00 N ATOM 536 CA SER A 36 -5.055 -1.160 -4.839 1.00 0.00 C ATOM 537 C SER A 36 -3.830 -0.536 -4.176 1.00 0.00 C ATOM 538 O SER A 36 -3.948 0.040 -3.097 1.00 0.00 O ATOM 539 CB SER A 36 -5.634 -0.208 -5.888 1.00 0.00 C ATOM 540 OG SER A 36 -6.743 -0.791 -6.552 1.00 0.00 O ATOM 0 H SER A 36 -6.059 -0.814 -3.036 1.00 0.00 H new ATOM 0 HA SER A 36 -4.764 -2.082 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.941 0.722 -5.409 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.864 0.047 -6.616 1.00 0.00 H new ATOM 0 HG SER A 36 -7.095 -0.162 -7.216 1.00 0.00 H new ATOM 546 N TRP A 37 -2.656 -0.663 -4.808 1.00 0.00 N ATOM 547 CA TRP A 37 -1.406 -0.116 -4.253 1.00 0.00 C ATOM 548 C TRP A 37 -0.659 0.725 -5.292 1.00 0.00 C ATOM 549 O TRP A 37 -0.181 0.186 -6.289 1.00 0.00 O ATOM 550 CB TRP A 37 -0.514 -1.263 -3.766 1.00 0.00 C ATOM 551 CG TRP A 37 -0.763 -1.652 -2.336 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.477 -2.731 -1.901 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.308 -0.973 -1.155 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.492 -2.770 -0.529 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.783 -1.704 -0.045 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.456 0.178 -0.924 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.519 -1.323 1.272 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.712 0.557 0.385 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.231 -0.191 1.466 1.00 0.00 C ATOM 0 H TRP A 37 -2.543 -1.139 -5.703 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.658 0.533 -3.414 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.674 -2.133 -4.404 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.531 -0.973 -3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.961 -3.451 -2.544 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.957 -3.479 0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.839 0.759 -1.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.891 -1.898 2.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.294 1.447 0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.455 0.130 2.473 1.00 0.00 H new ATOM 570 N PHE A 38 -0.553 2.042 -5.045 1.00 0.00 N ATOM 571 CA PHE A 38 0.136 2.959 -5.973 1.00 0.00 C ATOM 572 C PHE A 38 1.410 3.547 -5.386 1.00 0.00 C ATOM 573 O PHE A 38 1.349 4.393 -4.495 1.00 0.00 O ATOM 574 CB PHE A 38 -0.767 4.129 -6.359 1.00 0.00 C ATOM 575 CG PHE A 38 -2.067 3.725 -6.972 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.117 3.295 -6.184 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.231 3.776 -8.338 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.319 2.921 -6.756 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.426 3.406 -8.922 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.474 2.977 -8.129 1.00 0.00 C ATOM 0 H PHE A 38 -0.934 2.495 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 38 0.388 2.353 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.968 4.726 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.232 4.770 -7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.998 3.251 -5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.414 4.110 -8.961 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.135 2.586 -6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.542 3.452 -9.995 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.411 2.686 -8.581 1.00 0.00 H new ATOM 590 N SER A 39 2.564 3.142 -5.927 1.00 0.00 N ATOM 591 CA SER A 39 3.856 3.673 -5.478 1.00 0.00 C ATOM 592 C SER A 39 3.910 5.200 -5.678 1.00 0.00 C ATOM 593 O SER A 39 3.207 5.724 -6.561 1.00 0.00 O ATOM 594 CB SER A 39 5.017 2.998 -6.215 1.00 0.00 C ATOM 595 OG SER A 39 4.662 2.687 -7.550 1.00 0.00 O ATOM 0 H SER A 39 2.630 2.451 -6.674 1.00 0.00 H new ATOM 0 HA SER A 39 3.958 3.455 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.886 3.656 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.304 2.087 -5.690 1.00 0.00 H new ATOM 0 HG SER A 39 5.397 2.202 -7.979 1.00 0.00 H new ATOM 601 N PRO A 40 4.751 5.931 -4.865 1.00 0.00 N ATOM 602 CA PRO A 40 4.915 7.406 -4.907 1.00 0.00 C ATOM 603 C PRO A 40 4.765 8.004 -6.308 1.00 0.00 C ATOM 604 O PRO A 40 3.720 8.579 -6.626 1.00 0.00 O ATOM 605 CB PRO A 40 6.334 7.620 -4.319 1.00 0.00 C ATOM 606 CG PRO A 40 6.844 6.249 -3.979 1.00 0.00 C ATOM 607 CD PRO A 40 5.633 5.381 -3.833 1.00 0.00 C ATOM 0 HA PRO A 40 4.134 7.920 -4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.986 8.113 -5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.299 8.255 -3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.502 5.872 -4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.425 6.267 -3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.860 4.329 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.194 5.453 -2.838 1.00 0.00 H new ATOM 615 N ASN A 41 5.774 7.815 -7.156 1.00 0.00 N ATOM 616 CA ASN A 41 5.717 8.280 -8.539 1.00 0.00 C ATOM 617 C ASN A 41 5.784 7.063 -9.466 1.00 0.00 C ATOM 618 O ASN A 41 6.406 7.108 -10.533 1.00 0.00 O ATOM 619 CB ASN A 41 6.856 9.270 -8.835 1.00 0.00 C ATOM 620 CG ASN A 41 6.434 10.394 -9.777 1.00 0.00 C ATOM 621 OD1 ASN A 41 6.804 11.552 -9.572 1.00 0.00 O ATOM 622 ND2 ASN A 41 5.653 10.070 -10.814 1.00 0.00 N ATOM 0 H ASN A 41 6.643 7.342 -6.908 1.00 0.00 H new ATOM 0 HA ASN A 41 4.782 8.813 -8.709 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.209 9.701 -7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.695 8.730 -9.274 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.345 10.792 -11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.366 9.101 -10.953 1.00 0.00 H new ATOM 629 N GLY A 42 5.141 5.962 -9.034 1.00 0.00 N ATOM 630 CA GLY A 42 5.139 4.733 -9.811 1.00 0.00 C ATOM 631 C GLY A 42 3.753 4.284 -10.226 1.00 0.00 C ATOM 632 O GLY A 42 3.627 3.471 -11.144 1.00 0.00 O ATOM 0 H GLY A 42 4.623 5.909 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.749 4.875 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.609 3.942 -9.227 1.00 0.00 H new ATOM 636 N GLU A 43 2.699 4.790 -9.552 1.00 0.00 N ATOM 637 CA GLU A 43 1.317 4.394 -9.877 1.00 0.00 C ATOM 638 C GLU A 43 1.092 2.955 -9.425 1.00 0.00 C ATOM 639 O GLU A 43 1.938 2.396 -8.729 1.00 0.00 O ATOM 640 CB GLU A 43 1.005 4.565 -11.380 1.00 0.00 C ATOM 641 CG GLU A 43 1.510 5.885 -11.968 1.00 0.00 C ATOM 642 CD GLU A 43 0.588 6.454 -13.031 1.00 0.00 C ATOM 643 OE1 GLU A 43 -0.646 6.344 -12.869 1.00 0.00 O ATOM 644 OE2 GLU A 43 1.101 7.009 -14.025 1.00 0.00 O ATOM 0 H GLU A 43 2.778 5.464 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 43 0.631 5.052 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.452 3.738 -11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.073 4.501 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.623 6.614 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.499 5.729 -12.399 1.00 0.00 H new ATOM 651 N LYS A 44 -0.046 2.354 -9.788 1.00 0.00 N ATOM 652 CA LYS A 44 -0.350 0.984 -9.354 1.00 0.00 C ATOM 653 C LYS A 44 0.739 -0.019 -9.751 1.00 0.00 C ATOM 654 O LYS A 44 0.846 -0.413 -10.914 1.00 0.00 O ATOM 655 CB LYS A 44 -1.723 0.524 -9.849 1.00 0.00 C ATOM 656 CG LYS A 44 -2.466 -0.327 -8.820 1.00 0.00 C ATOM 657 CD LYS A 44 -3.415 -1.313 -9.485 1.00 0.00 C ATOM 658 CE LYS A 44 -4.404 -1.900 -8.490 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.918 -3.226 -8.934 1.00 0.00 N ATOM 0 H LYS A 44 -0.762 2.785 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.375 1.012 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.327 1.397 -10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.600 -0.049 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.745 -0.871 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.028 0.322 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.959 -0.811 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.841 -2.117 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.922 -2.004 -7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.239 -1.212 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.589 -3.592 -8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.400 -3.123 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.124 -3.890 -9.034 1.00 0.00 H new ATOM 673 N LEU A 45 1.545 -0.418 -8.759 1.00 0.00 N ATOM 674 CA LEU A 45 2.635 -1.368 -8.976 1.00 0.00 C ATOM 675 C LEU A 45 2.118 -2.805 -9.004 1.00 0.00 C ATOM 676 O LEU A 45 1.131 -3.128 -8.338 1.00 0.00 O ATOM 677 CB LEU A 45 3.705 -1.206 -7.889 1.00 0.00 C ATOM 678 CG LEU A 45 3.227 -1.466 -6.447 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.381 -2.936 -6.085 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.987 -0.591 -5.452 1.00 0.00 C ATOM 0 H LEU A 45 1.459 -0.094 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 45 3.082 -1.153 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.528 -1.886 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.105 -0.193 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 45 2.170 -1.205 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.038 -3.097 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.786 -3.543 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.430 -3.222 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.630 -0.794 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.052 -0.813 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.821 0.460 -5.691 1.00 0.00 H new ATOM 692 N SER A 46 2.786 -3.661 -9.787 1.00 0.00 N ATOM 693 CA SER A 46 2.391 -5.067 -9.914 1.00 0.00 C ATOM 694 C SER A 46 2.613 -5.830 -8.601 1.00 0.00 C ATOM 695 O SER A 46 3.448 -5.431 -7.787 1.00 0.00 O ATOM 696 CB SER A 46 3.168 -5.744 -11.046 1.00 0.00 C ATOM 697 OG SER A 46 3.322 -4.874 -12.153 1.00 0.00 O ATOM 0 H SER A 46 3.602 -3.403 -10.342 1.00 0.00 H new ATOM 0 HA SER A 46 1.327 -5.090 -10.148 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.149 -6.053 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.645 -6.647 -11.360 1.00 0.00 H new ATOM 0 HG SER A 46 3.823 -5.331 -12.861 1.00 0.00 H new ATOM 703 N PRO A 47 1.866 -6.947 -8.370 1.00 0.00 N ATOM 704 CA PRO A 47 1.999 -7.745 -7.148 1.00 0.00 C ATOM 705 C PRO A 47 3.139 -8.767 -7.210 1.00 0.00 C ATOM 706 O PRO A 47 3.630 -9.207 -6.170 1.00 0.00 O ATOM 707 CB PRO A 47 0.648 -8.449 -7.055 1.00 0.00 C ATOM 708 CG PRO A 47 0.212 -8.633 -8.468 1.00 0.00 C ATOM 709 CD PRO A 47 0.835 -7.515 -9.272 1.00 0.00 C ATOM 0 HA PRO A 47 2.245 -7.126 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.736 -9.406 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.071 -7.851 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.531 -9.604 -8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.875 -8.603 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.277 -7.888 -10.196 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.095 -6.766 -9.552 1.00 0.00 H new ATOM 717 N ASN A 48 3.557 -9.143 -8.424 1.00 0.00 N ATOM 718 CA ASN A 48 4.643 -10.107 -8.606 1.00 0.00 C ATOM 719 C ASN A 48 5.554 -9.671 -9.757 1.00 0.00 C ATOM 720 O ASN A 48 5.534 -10.253 -10.847 1.00 0.00 O ATOM 721 CB ASN A 48 4.080 -11.518 -8.846 1.00 0.00 C ATOM 722 CG ASN A 48 3.084 -11.574 -9.994 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.467 -11.709 -11.155 1.00 0.00 O ATOM 724 ND2 ASN A 48 1.794 -11.480 -9.677 1.00 0.00 N ATOM 0 H ASN A 48 3.158 -8.793 -9.295 1.00 0.00 H new ATOM 0 HA ASN A 48 5.240 -10.137 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.904 -12.201 -9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.596 -11.870 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.085 -11.519 -10.409 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.515 -11.369 -8.702 1.00 0.00 H new ATOM 731 N GLN A 49 6.359 -8.630 -9.504 1.00 0.00 N ATOM 732 CA GLN A 49 7.288 -8.099 -10.511 1.00 0.00 C ATOM 733 C GLN A 49 8.725 -8.512 -10.199 1.00 0.00 C ATOM 734 O GLN A 49 9.383 -9.140 -11.034 1.00 0.00 O ATOM 735 CB GLN A 49 7.184 -6.560 -10.641 1.00 0.00 C ATOM 736 CG GLN A 49 6.871 -5.804 -9.353 1.00 0.00 C ATOM 737 CD GLN A 49 6.634 -4.322 -9.596 1.00 0.00 C ATOM 738 OE1 GLN A 49 6.073 -3.934 -10.621 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.061 -3.482 -8.654 1.00 0.00 N ATOM 0 H GLN A 49 6.386 -8.139 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 49 7.001 -8.530 -11.470 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.126 -6.184 -11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.411 -6.328 -11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.988 -6.239 -8.885 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.697 -5.927 -8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.521 -3.844 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.927 -2.477 -8.768 1.00 0.00 H new ATOM 748 N GLN A 50 9.213 -8.159 -9.003 1.00 0.00 N ATOM 749 CA GLN A 50 10.584 -8.507 -8.607 1.00 0.00 C ATOM 750 C GLN A 50 10.763 -8.493 -7.082 1.00 0.00 C ATOM 751 O GLN A 50 10.710 -9.544 -6.441 1.00 0.00 O ATOM 752 CB GLN A 50 11.652 -7.609 -9.313 1.00 0.00 C ATOM 753 CG GLN A 50 11.109 -6.562 -10.285 1.00 0.00 C ATOM 754 CD GLN A 50 12.193 -5.638 -10.813 1.00 0.00 C ATOM 755 OE1 GLN A 50 12.691 -4.776 -10.091 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.563 -5.809 -12.082 1.00 0.00 N ATOM 0 H GLN A 50 8.687 -7.639 -8.300 1.00 0.00 H new ATOM 0 HA GLN A 50 10.751 -9.529 -8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.232 -7.097 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.341 -8.256 -9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.626 -7.065 -11.123 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.343 -5.969 -9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.125 -6.536 -12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.284 -5.213 -12.488 1.00 0.00 H new ATOM 765 N ARG A 51 11.012 -7.311 -6.519 1.00 0.00 N ATOM 766 CA ARG A 51 11.245 -7.159 -5.076 1.00 0.00 C ATOM 767 C ARG A 51 9.999 -6.717 -4.309 1.00 0.00 C ATOM 768 O ARG A 51 9.827 -7.092 -3.142 1.00 0.00 O ATOM 769 CB ARG A 51 12.380 -6.169 -4.846 1.00 0.00 C ATOM 770 CG ARG A 51 13.748 -6.707 -5.270 1.00 0.00 C ATOM 771 CD ARG A 51 14.616 -5.651 -5.955 1.00 0.00 C ATOM 772 NE ARG A 51 14.901 -5.999 -7.352 1.00 0.00 N ATOM 773 CZ ARG A 51 15.849 -5.424 -8.105 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.616 -4.442 -7.630 1.00 0.00 N ATOM 775 NH2 ARG A 51 16.026 -5.836 -9.353 1.00 0.00 N ATOM 0 H ARG A 51 11.059 -6.436 -7.042 1.00 0.00 H new ATOM 0 HA ARG A 51 11.514 -8.142 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.171 -5.253 -5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.413 -5.904 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.271 -7.087 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.608 -7.550 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.111 -4.686 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.553 -5.542 -5.410 1.00 0.00 H new ATOM 0 HE ARG A 51 14.336 -6.732 -7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.488 -4.112 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.331 -4.021 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.444 -6.583 -9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.744 -5.406 -9.935 1.00 0.00 H new ATOM 789 N ILE A 52 9.139 -5.916 -4.949 1.00 0.00 N ATOM 790 CA ILE A 52 7.915 -5.437 -4.301 1.00 0.00 C ATOM 791 C ILE A 52 6.757 -6.408 -4.563 1.00 0.00 C ATOM 792 O ILE A 52 6.239 -6.482 -5.679 1.00 0.00 O ATOM 793 CB ILE A 52 7.529 -3.999 -4.755 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.710 -3.040 -4.533 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.296 -3.510 -3.991 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.427 -1.588 -4.897 1.00 0.00 C ATOM 0 H ILE A 52 9.267 -5.589 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 52 8.114 -5.394 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 52 7.290 -4.021 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.006 -3.087 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.559 -3.389 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.040 -2.503 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.458 -4.180 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.511 -3.498 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.316 -0.986 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.162 -1.522 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.601 -1.216 -4.292 1.00 0.00 H new ATOM 808 N SER A 53 6.365 -7.152 -3.520 1.00 0.00 N ATOM 809 CA SER A 53 5.279 -8.128 -3.614 1.00 0.00 C ATOM 810 C SER A 53 4.065 -7.703 -2.780 1.00 0.00 C ATOM 811 O SER A 53 4.173 -7.526 -1.568 1.00 0.00 O ATOM 812 CB SER A 53 5.778 -9.495 -3.143 1.00 0.00 C ATOM 813 OG SER A 53 4.859 -10.519 -3.480 1.00 0.00 O ATOM 0 H SER A 53 6.790 -7.093 -2.595 1.00 0.00 H new ATOM 0 HA SER A 53 4.964 -8.186 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.746 -9.708 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.928 -9.478 -2.064 1.00 0.00 H new ATOM 0 HG SER A 53 4.382 -10.274 -4.300 1.00 0.00 H new ATOM 819 N VAL A 54 2.908 -7.558 -3.439 1.00 0.00 N ATOM 820 CA VAL A 54 1.661 -7.171 -2.763 1.00 0.00 C ATOM 821 C VAL A 54 0.882 -8.425 -2.356 1.00 0.00 C ATOM 822 O VAL A 54 1.119 -9.503 -2.909 1.00 0.00 O ATOM 823 CB VAL A 54 0.763 -6.286 -3.671 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.411 -5.709 -2.888 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.564 -5.164 -4.318 1.00 0.00 C ATOM 0 H VAL A 54 2.809 -7.703 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 54 1.931 -6.590 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 54 0.371 -6.926 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.022 -5.094 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.016 -6.522 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.036 -5.097 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.907 -4.563 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.000 -4.534 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.360 -5.590 -4.929 1.00 0.00 H new ATOM 835 N VAL A 55 -0.040 -8.288 -1.392 1.00 0.00 N ATOM 836 CA VAL A 55 -0.832 -9.436 -0.933 1.00 0.00 C ATOM 837 C VAL A 55 -2.168 -9.014 -0.299 1.00 0.00 C ATOM 838 O VAL A 55 -2.265 -7.974 0.345 1.00 0.00 O ATOM 839 CB VAL A 55 -0.012 -10.298 0.067 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.415 -9.478 1.283 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.773 -11.555 0.496 1.00 0.00 C ATOM 0 H VAL A 55 -0.253 -7.408 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.067 -10.031 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 55 0.887 -10.624 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.987 -10.108 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.033 -8.641 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.469 -9.099 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.164 -12.128 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.707 -11.268 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.991 -12.165 -0.380 1.00 0.00 H new ATOM 851 N TRP A 56 -3.187 -9.863 -0.477 1.00 0.00 N ATOM 852 CA TRP A 56 -4.522 -9.631 0.079 1.00 0.00 C ATOM 853 C TRP A 56 -4.939 -10.847 0.900 1.00 0.00 C ATOM 854 O TRP A 56 -4.938 -11.967 0.384 1.00 0.00 O ATOM 855 CB TRP A 56 -5.524 -9.388 -1.045 1.00 0.00 C ATOM 856 CG TRP A 56 -5.151 -8.225 -1.905 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.640 -6.956 -1.820 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.198 -8.219 -2.973 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.054 -6.161 -2.768 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.169 -6.912 -3.493 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.369 -9.190 -3.543 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.347 -6.550 -4.555 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.553 -8.829 -4.598 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.548 -7.519 -5.094 1.00 0.00 C ATOM 0 H TRP A 56 -3.108 -10.729 -1.010 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.501 -8.749 0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.596 -10.283 -1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.511 -9.216 -0.616 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.382 -6.625 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.246 -5.169 -2.911 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.367 -10.202 -3.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.340 -5.541 -4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.908 -9.569 -5.048 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.899 -7.269 -5.920 1.00 0.00 H new ATOM 875 N ASN A 57 -5.262 -10.641 2.186 1.00 0.00 N ATOM 876 CA ASN A 57 -5.640 -11.763 3.074 1.00 0.00 C ATOM 877 C ASN A 57 -7.050 -11.607 3.657 1.00 0.00 C ATOM 878 O ASN A 57 -7.969 -12.320 3.250 1.00 0.00 O ATOM 879 CB ASN A 57 -4.604 -11.957 4.212 1.00 0.00 C ATOM 880 CG ASN A 57 -3.921 -10.670 4.665 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.269 -10.099 5.698 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.936 -10.211 3.890 1.00 0.00 N ATOM 0 H ASN A 57 -5.271 -9.725 2.634 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.645 -12.656 2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.103 -12.411 5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.842 -12.661 3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.441 -9.357 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.678 -10.715 3.041 1.00 0.00 H new ATOM 889 N ASP A 58 -7.213 -10.696 4.624 1.00 0.00 N ATOM 890 CA ASP A 58 -8.515 -10.475 5.281 1.00 0.00 C ATOM 891 C ASP A 58 -9.616 -10.111 4.269 1.00 0.00 C ATOM 892 O ASP A 58 -9.396 -10.161 3.057 1.00 0.00 O ATOM 893 CB ASP A 58 -8.381 -9.383 6.364 1.00 0.00 C ATOM 894 CG ASP A 58 -8.352 -9.952 7.771 1.00 0.00 C ATOM 895 OD1 ASP A 58 -9.314 -10.654 8.148 1.00 0.00 O ATOM 896 OD2 ASP A 58 -7.367 -9.696 8.495 1.00 0.00 O ATOM 0 H ASP A 58 -6.463 -10.099 4.971 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.814 -11.410 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.469 -8.813 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.214 -8.686 6.276 1.00 0.00 H new ATOM 901 N ASP A 59 -10.805 -9.751 4.782 1.00 0.00 N ATOM 902 CA ASP A 59 -11.954 -9.384 3.935 1.00 0.00 C ATOM 903 C ASP A 59 -11.591 -8.282 2.937 1.00 0.00 C ATOM 904 O ASP A 59 -12.004 -8.326 1.775 1.00 0.00 O ATOM 905 CB ASP A 59 -13.129 -8.924 4.804 1.00 0.00 C ATOM 906 CG ASP A 59 -14.440 -8.901 4.043 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.428 -8.534 2.850 1.00 0.00 O ATOM 908 OD2 ASP A 59 -15.480 -9.248 4.643 1.00 0.00 O ATOM 0 H ASP A 59 -10.996 -9.706 5.783 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.242 -10.272 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.223 -9.588 5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.921 -7.927 5.193 1.00 0.00 H new ATOM 913 N ASP A 60 -10.808 -7.305 3.400 1.00 0.00 N ATOM 914 CA ASP A 60 -10.373 -6.196 2.553 1.00 0.00 C ATOM 915 C ASP A 60 -9.027 -5.608 3.020 1.00 0.00 C ATOM 916 O ASP A 60 -8.714 -4.457 2.708 1.00 0.00 O ATOM 917 CB ASP A 60 -11.453 -5.110 2.530 1.00 0.00 C ATOM 918 CG ASP A 60 -12.535 -5.396 1.507 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.196 -5.576 0.318 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.721 -5.443 1.895 1.00 0.00 O ATOM 0 H ASP A 60 -10.463 -7.261 4.359 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.223 -6.582 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.904 -5.028 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.992 -4.147 2.309 1.00 0.00 H new ATOM 925 N SER A 61 -8.230 -6.404 3.753 1.00 0.00 N ATOM 926 CA SER A 61 -6.920 -5.966 4.240 1.00 0.00 C ATOM 927 C SER A 61 -5.824 -6.497 3.315 1.00 0.00 C ATOM 928 O SER A 61 -5.915 -7.628 2.814 1.00 0.00 O ATOM 929 CB SER A 61 -6.714 -6.420 5.704 1.00 0.00 C ATOM 930 OG SER A 61 -5.703 -7.412 5.844 1.00 0.00 O ATOM 0 H SER A 61 -8.476 -7.357 4.020 1.00 0.00 H new ATOM 0 HA SER A 61 -6.868 -4.877 4.229 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.452 -5.555 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.654 -6.811 6.093 1.00 0.00 H new ATOM 0 HG SER A 61 -5.616 -7.659 6.788 1.00 0.00 H new ATOM 936 N SER A 62 -4.802 -5.670 3.071 1.00 0.00 N ATOM 937 CA SER A 62 -3.705 -6.047 2.181 1.00 0.00 C ATOM 938 C SER A 62 -2.352 -5.678 2.790 1.00 0.00 C ATOM 939 O SER A 62 -2.281 -5.304 3.961 1.00 0.00 O ATOM 940 CB SER A 62 -3.908 -5.356 0.828 1.00 0.00 C ATOM 941 OG SER A 62 -5.279 -5.354 0.464 1.00 0.00 O ATOM 0 H SER A 62 -4.714 -4.739 3.477 1.00 0.00 H new ATOM 0 HA SER A 62 -3.707 -7.128 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.539 -4.332 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.325 -5.867 0.062 1.00 0.00 H new ATOM 0 HG SER A 62 -5.359 -5.436 -0.509 1.00 0.00 H new ATOM 947 N THR A 63 -1.282 -5.792 1.994 1.00 0.00 N ATOM 948 CA THR A 63 0.064 -5.474 2.456 1.00 0.00 C ATOM 949 C THR A 63 0.991 -5.193 1.270 1.00 0.00 C ATOM 950 O THR A 63 0.896 -5.849 0.226 1.00 0.00 O ATOM 951 CB THR A 63 0.634 -6.614 3.303 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.378 -7.218 4.088 1.00 0.00 O ATOM 953 CG2 THR A 63 1.734 -6.161 4.240 1.00 0.00 C ATOM 0 H THR A 63 -1.328 -6.104 1.024 1.00 0.00 H new ATOM 0 HA THR A 63 0.001 -4.578 3.074 1.00 0.00 H new ATOM 0 HB THR A 63 1.050 -7.325 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.010 -7.944 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.098 -7.014 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.554 -5.737 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.343 -5.406 4.922 1.00 0.00 H new ATOM 961 N LEU A 64 1.882 -4.215 1.447 1.00 0.00 N ATOM 962 CA LEU A 64 2.838 -3.813 0.425 1.00 0.00 C ATOM 963 C LEU A 64 4.253 -4.153 0.876 1.00 0.00 C ATOM 964 O LEU A 64 4.893 -3.355 1.566 1.00 0.00 O ATOM 965 CB LEU A 64 2.718 -2.295 0.194 1.00 0.00 C ATOM 966 CG LEU A 64 3.282 -1.683 -1.123 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.236 -0.527 -0.817 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.961 -2.714 -2.030 1.00 0.00 C ATOM 0 H LEU A 64 1.957 -3.679 2.311 1.00 0.00 H new ATOM 0 HA LEU A 64 2.626 -4.345 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.661 -2.037 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.213 -1.796 1.027 1.00 0.00 H new ATOM 0 HG LEU A 64 2.422 -1.305 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.618 -0.114 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.703 0.249 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.068 -0.891 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.331 -2.220 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.795 -3.173 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.241 -3.484 -2.309 1.00 0.00 H new ATOM 980 N THR A 65 4.733 -5.339 0.492 1.00 0.00 N ATOM 981 CA THR A 65 6.077 -5.784 0.868 1.00 0.00 C ATOM 982 C THR A 65 7.103 -5.275 -0.146 1.00 0.00 C ATOM 983 O THR A 65 6.853 -5.285 -1.347 1.00 0.00 O ATOM 984 CB THR A 65 6.146 -7.332 1.003 1.00 0.00 C ATOM 985 OG1 THR A 65 4.865 -7.924 0.855 1.00 0.00 O ATOM 986 CG2 THR A 65 6.689 -7.796 2.342 1.00 0.00 C ATOM 0 H THR A 65 4.212 -6.006 -0.077 1.00 0.00 H new ATOM 0 HA THR A 65 6.314 -5.363 1.845 1.00 0.00 H new ATOM 0 HB THR A 65 6.823 -7.645 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.707 -8.129 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.710 -8.885 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.699 -7.410 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.048 -7.426 3.142 1.00 0.00 H new ATOM 994 N ILE A 66 8.254 -4.827 0.358 1.00 0.00 N ATOM 995 CA ILE A 66 9.343 -4.311 -0.476 1.00 0.00 C ATOM 996 C ILE A 66 10.648 -4.913 0.040 1.00 0.00 C ATOM 997 O ILE A 66 11.349 -4.309 0.848 1.00 0.00 O ATOM 998 CB ILE A 66 9.394 -2.757 -0.451 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.033 -2.179 -0.852 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.494 -2.216 -1.367 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.852 -0.737 -0.448 1.00 0.00 C ATOM 0 H ILE A 66 8.459 -4.811 1.357 1.00 0.00 H new ATOM 0 HA ILE A 66 9.180 -4.596 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 66 9.629 -2.445 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.915 -2.264 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.244 -2.778 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.500 -1.127 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.461 -2.597 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.306 -2.538 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.867 -0.392 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.938 -0.649 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.620 -0.127 -0.924 1.00 0.00 H new ATOM 1013 N TYR A 67 10.922 -6.147 -0.395 1.00 0.00 N ATOM 1014 CA TYR A 67 12.096 -6.917 0.056 1.00 0.00 C ATOM 1015 C TYR A 67 13.433 -6.154 -0.006 1.00 0.00 C ATOM 1016 O TYR A 67 14.138 -6.056 1.000 1.00 0.00 O ATOM 1017 CB TYR A 67 12.197 -8.228 -0.743 1.00 0.00 C ATOM 1018 CG TYR A 67 10.908 -9.042 -0.766 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.146 -9.221 0.389 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.450 -9.624 -1.943 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.974 -9.951 0.366 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.277 -10.356 -1.971 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.544 -10.515 -0.815 1.00 0.00 C ATOM 1024 OH TYR A 67 7.376 -11.244 -0.840 1.00 0.00 O ATOM 0 H TYR A 67 10.340 -6.644 -1.069 1.00 0.00 H new ATOM 0 HA TYR A 67 11.928 -7.119 1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.486 -7.995 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.993 -8.840 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.479 -8.781 1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.021 -9.502 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.397 -10.079 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.937 -10.801 -2.895 1.00 0.00 H new ATOM 0 HH TYR A 67 7.215 -11.572 -1.749 1.00 0.00 H new ATOM 1034 N ASN A 68 13.786 -5.661 -1.187 1.00 0.00 N ATOM 1035 CA ASN A 68 15.055 -4.953 -1.397 1.00 0.00 C ATOM 1036 C ASN A 68 15.086 -3.570 -0.737 1.00 0.00 C ATOM 1037 O ASN A 68 15.810 -3.358 0.236 1.00 0.00 O ATOM 1038 CB ASN A 68 15.365 -4.846 -2.909 1.00 0.00 C ATOM 1039 CG ASN A 68 16.629 -4.043 -3.244 1.00 0.00 C ATOM 1040 OD1 ASN A 68 16.667 -3.330 -4.246 1.00 0.00 O ATOM 1041 ND2 ASN A 68 17.666 -4.150 -2.410 1.00 0.00 N ATOM 0 H ASN A 68 13.209 -5.737 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 68 15.831 -5.543 -0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.469 -5.851 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.514 -4.385 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.525 -3.631 -2.595 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.600 -4.751 -1.588 1.00 0.00 H new ATOM 1048 N ALA A 69 14.331 -2.627 -1.308 1.00 0.00 N ATOM 1049 CA ALA A 69 14.276 -1.228 -0.834 1.00 0.00 C ATOM 1050 C ALA A 69 15.470 -0.431 -1.363 1.00 0.00 C ATOM 1051 O ALA A 69 16.623 -0.773 -1.090 1.00 0.00 O ATOM 1052 CB ALA A 69 14.208 -1.116 0.694 1.00 0.00 C ATOM 0 H ALA A 69 13.735 -2.807 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 69 13.351 -0.807 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.170 -0.065 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.314 -1.624 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.092 -1.580 1.132 1.00 0.00 H new ATOM 1058 N ASN A 70 15.182 0.643 -2.110 1.00 0.00 N ATOM 1059 CA ASN A 70 16.220 1.511 -2.674 1.00 0.00 C ATOM 1060 C ASN A 70 15.783 2.981 -2.617 1.00 0.00 C ATOM 1061 O ASN A 70 14.595 3.292 -2.483 1.00 0.00 O ATOM 1062 CB ASN A 70 16.554 1.110 -4.120 1.00 0.00 C ATOM 1063 CG ASN A 70 15.322 0.844 -4.973 1.00 0.00 C ATOM 1064 OD1 ASN A 70 14.915 1.686 -5.769 1.00 0.00 O ATOM 1065 ND2 ASN A 70 14.722 -0.334 -4.812 1.00 0.00 N ATOM 0 H ASN A 70 14.231 0.932 -2.338 1.00 0.00 H new ATOM 0 HA ASN A 70 17.120 1.389 -2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 70 17.143 1.902 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.178 0.216 -4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.893 -0.563 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.091 -1.007 -4.140 1.00 0.00 H new ATOM 1072 N ILE A 71 16.753 3.895 -2.702 1.00 0.00 N ATOM 1073 CA ILE A 71 16.471 5.337 -2.636 1.00 0.00 C ATOM 1074 C ILE A 71 15.369 5.788 -3.606 1.00 0.00 C ATOM 1075 O ILE A 71 14.691 6.787 -3.346 1.00 0.00 O ATOM 1076 CB ILE A 71 17.741 6.174 -2.890 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.402 5.763 -4.214 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.715 6.018 -1.730 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.584 6.625 -4.612 1.00 0.00 C ATOM 0 H ILE A 71 17.740 3.666 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 71 16.112 5.511 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 71 17.458 7.224 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.732 4.727 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.655 5.801 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.607 6.614 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.242 6.359 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.994 4.969 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 71 19.993 6.268 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.259 7.659 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.352 6.568 -3.840 1.00 0.00 H new ATOM 1091 N ASP A 72 15.180 5.045 -4.703 1.00 0.00 N ATOM 1092 CA ASP A 72 14.140 5.380 -5.678 1.00 0.00 C ATOM 1093 C ASP A 72 12.765 4.998 -5.131 1.00 0.00 C ATOM 1094 O ASP A 72 11.795 5.742 -5.297 1.00 0.00 O ATOM 1095 CB ASP A 72 14.397 4.680 -7.015 1.00 0.00 C ATOM 1096 CG ASP A 72 15.721 5.084 -7.631 1.00 0.00 C ATOM 1097 OD1 ASP A 72 15.839 6.244 -8.078 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.640 4.239 -7.669 1.00 0.00 O ATOM 0 H ASP A 72 15.728 4.217 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 72 14.165 6.456 -5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.383 3.600 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.589 4.917 -7.708 1.00 0.00 H new ATOM 1103 N ASP A 73 12.692 3.841 -4.457 1.00 0.00 N ATOM 1104 CA ASP A 73 11.449 3.359 -3.858 1.00 0.00 C ATOM 1105 C ASP A 73 10.977 4.300 -2.745 1.00 0.00 C ATOM 1106 O ASP A 73 9.773 4.458 -2.535 1.00 0.00 O ATOM 1107 CB ASP A 73 11.644 1.940 -3.308 1.00 0.00 C ATOM 1108 CG ASP A 73 11.747 0.892 -4.403 1.00 0.00 C ATOM 1109 OD1 ASP A 73 12.185 1.235 -5.524 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.398 -0.275 -4.137 1.00 0.00 O ATOM 0 H ASP A 73 13.489 3.221 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 73 10.682 3.337 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.548 1.912 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.810 1.692 -2.652 1.00 0.00 H new ATOM 1115 N ALA A 74 11.933 4.929 -2.034 1.00 0.00 N ATOM 1116 CA ALA A 74 11.605 5.863 -0.941 1.00 0.00 C ATOM 1117 C ALA A 74 10.636 6.972 -1.377 1.00 0.00 C ATOM 1118 O ALA A 74 11.027 7.905 -2.083 1.00 0.00 O ATOM 1119 CB ALA A 74 12.875 6.489 -0.378 1.00 0.00 C ATOM 0 H ALA A 74 12.933 4.808 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 74 11.105 5.276 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.616 7.176 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.526 5.705 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.393 7.034 -1.167 1.00 0.00 H new ATOM 1125 N GLY A 75 9.379 6.861 -0.935 1.00 0.00 N ATOM 1126 CA GLY A 75 8.366 7.854 -1.261 1.00 0.00 C ATOM 1127 C GLY A 75 7.022 7.513 -0.646 1.00 0.00 C ATOM 1128 O GLY A 75 6.893 6.482 0.020 1.00 0.00 O ATOM 0 H GLY A 75 9.045 6.093 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.690 8.833 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.262 7.925 -2.344 1.00 0.00 H new ATOM 1132 N ILE A 76 6.023 8.375 -0.859 1.00 0.00 N ATOM 1133 CA ILE A 76 4.690 8.150 -0.308 1.00 0.00 C ATOM 1134 C ILE A 76 3.915 7.130 -1.154 1.00 0.00 C ATOM 1135 O ILE A 76 3.337 7.487 -2.184 1.00 0.00 O ATOM 1136 CB ILE A 76 3.905 9.517 -0.155 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.162 10.109 1.237 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.386 9.404 -0.390 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.423 10.928 1.318 1.00 0.00 C ATOM 0 H ILE A 76 6.115 9.230 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 76 4.795 7.726 0.691 1.00 0.00 H new ATOM 0 HB ILE A 76 4.288 10.172 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.314 10.733 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.218 9.298 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.925 10.384 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.200 9.041 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.957 8.707 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.541 11.315 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.280 10.303 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.362 11.760 0.616 1.00 0.00 H new ATOM 1151 N TYR A 77 3.861 5.873 -0.688 1.00 0.00 N ATOM 1152 CA TYR A 77 3.095 4.841 -1.388 1.00 0.00 C ATOM 1153 C TYR A 77 1.609 5.125 -1.181 1.00 0.00 C ATOM 1154 O TYR A 77 1.256 6.037 -0.421 1.00 0.00 O ATOM 1155 CB TYR A 77 3.450 3.435 -0.902 1.00 0.00 C ATOM 1156 CG TYR A 77 4.796 2.943 -1.384 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.955 3.416 -0.795 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.910 2.003 -2.407 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.198 2.973 -1.203 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.152 1.551 -2.822 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.289 2.039 -2.216 1.00 0.00 C ATOM 1162 OH TYR A 77 8.521 1.596 -2.627 1.00 0.00 O ATOM 0 H TYR A 77 4.332 5.554 0.158 1.00 0.00 H new ATOM 0 HA TYR A 77 3.343 4.873 -2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.439 3.424 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.679 2.740 -1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.887 4.145 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.018 1.622 -2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.092 3.354 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.228 0.821 -3.615 1.00 0.00 H new ATOM 0 HH TYR A 77 8.409 0.940 -3.347 1.00 0.00 H new ATOM 1172 N LYS A 78 0.743 4.379 -1.866 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.700 4.607 -1.765 1.00 0.00 C ATOM 1174 C LYS A 78 -1.488 3.310 -1.612 1.00 0.00 C ATOM 1175 O LYS A 78 -1.039 2.244 -2.022 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.187 5.367 -3.013 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.058 6.575 -2.698 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.445 7.337 -3.958 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.234 7.967 -4.631 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.593 9.210 -5.369 1.00 0.00 N ATOM 0 H LYS A 78 1.011 3.619 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.876 5.198 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.321 5.696 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.749 4.682 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.959 6.248 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.524 7.241 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.937 6.660 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.166 8.114 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.479 8.196 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.789 7.251 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.741 9.608 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.294 8.987 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.994 9.904 -4.706 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.694 3.442 -1.059 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.603 2.319 -0.876 1.00 0.00 C ATOM 1196 C CYS A 79 -5.019 2.788 -1.167 1.00 0.00 C ATOM 1197 O CYS A 79 -5.652 3.412 -0.313 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.518 1.753 0.543 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.157 0.051 0.686 1.00 0.00 S ATOM 0 H CYS A 79 -3.065 4.332 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.320 1.521 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.479 1.771 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.077 2.401 1.218 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.498 2.525 -2.390 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.837 2.962 -2.806 1.00 0.00 C ATOM 1206 C VAL A 80 -7.838 1.814 -2.822 1.00 0.00 C ATOM 1207 O VAL A 80 -7.573 0.752 -3.387 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.842 3.626 -4.211 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.135 4.415 -4.418 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.624 4.528 -4.411 1.00 0.00 C ATOM 0 H VAL A 80 -4.981 2.014 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.134 3.699 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.788 2.833 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.126 4.875 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.989 3.742 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.213 5.191 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.661 4.975 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.627 5.316 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.713 3.937 -4.313 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.011 2.059 -2.227 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.093 1.081 -2.192 1.00 0.00 C ATOM 1222 C VAL A 81 -11.242 1.619 -3.058 1.00 0.00 C ATOM 1223 O VAL A 81 -11.516 2.817 -3.034 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.517 0.782 -0.698 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.981 1.105 -0.373 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.209 -0.668 -0.333 1.00 0.00 C ATOM 0 H VAL A 81 -9.232 2.938 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.777 0.122 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.919 1.461 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.182 0.869 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.167 2.165 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.635 0.511 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.508 -0.855 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.759 -1.335 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.140 -0.851 -0.440 1.00 0.00 H new ATOM 1236 N THR A 82 -11.899 0.747 -3.830 1.00 0.00 N ATOM 1237 CA THR A 82 -13.002 1.181 -4.699 1.00 0.00 C ATOM 1238 C THR A 82 -14.262 0.353 -4.484 1.00 0.00 C ATOM 1239 O THR A 82 -14.214 -0.879 -4.453 1.00 0.00 O ATOM 1240 CB THR A 82 -12.589 1.131 -6.177 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.194 1.349 -6.324 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.309 2.160 -7.031 1.00 0.00 C ATOM 0 H THR A 82 -11.691 -0.251 -3.873 1.00 0.00 H new ATOM 0 HA THR A 82 -13.229 2.212 -4.427 1.00 0.00 H new ATOM 0 HB THR A 82 -12.866 0.134 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.031 2.290 -6.544 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.974 2.074 -8.065 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.384 1.985 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.087 3.160 -6.660 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.393 1.051 -4.352 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.686 0.406 -4.156 1.00 0.00 C ATOM 1252 C ALA A 83 -17.302 0.025 -5.502 1.00 0.00 C ATOM 1253 O ALA A 83 -16.673 0.206 -6.548 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.617 1.324 -3.376 1.00 0.00 C ATOM 0 H ALA A 83 -15.435 2.070 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.539 -0.507 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.579 0.832 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.178 1.546 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.761 2.252 -3.930 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.529 -0.503 -5.471 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.222 -0.910 -6.696 1.00 0.00 C ATOM 1262 C GLU A 84 -19.679 0.308 -7.503 1.00 0.00 C ATOM 1263 O GLU A 84 -19.387 0.411 -8.696 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.427 -1.795 -6.364 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.052 -2.454 -7.586 1.00 0.00 C ATOM 1266 CD GLU A 84 -20.168 -3.530 -8.187 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -19.769 -4.453 -7.446 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -19.878 -3.451 -9.399 1.00 0.00 O ATOM 0 H GLU A 84 -19.061 -0.658 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.517 -1.480 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.117 -2.569 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.182 -1.192 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.011 -2.891 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.255 -1.693 -8.340 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.403 1.220 -6.845 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.914 2.430 -7.502 1.00 0.00 C ATOM 1277 C ASP A 85 -19.785 3.348 -7.988 1.00 0.00 C ATOM 1278 O ASP A 85 -19.956 4.073 -8.972 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.843 3.201 -6.558 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.175 3.553 -5.242 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.149 2.690 -4.340 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.680 4.692 -5.115 1.00 0.00 O ATOM 0 H ASP A 85 -20.649 1.144 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.475 2.104 -8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.176 4.116 -7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.733 2.603 -6.361 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.636 3.316 -7.295 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.494 4.151 -7.671 1.00 0.00 C ATOM 1289 C GLY A 86 -16.911 4.972 -6.520 1.00 0.00 C ATOM 1290 O GLY A 86 -15.947 5.711 -6.727 1.00 0.00 O ATOM 0 H GLY A 86 -18.478 2.725 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.711 3.513 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.801 4.829 -8.467 1.00 0.00 H new ATOM 1294 N THR A 87 -17.474 4.839 -5.307 1.00 0.00 N ATOM 1295 CA THR A 87 -16.976 5.571 -4.136 1.00 0.00 C ATOM 1296 C THR A 87 -15.567 5.092 -3.779 1.00 0.00 C ATOM 1297 O THR A 87 -15.386 3.942 -3.391 1.00 0.00 O ATOM 1298 CB THR A 87 -17.926 5.372 -2.943 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.243 5.766 -3.283 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.530 6.145 -1.703 1.00 0.00 C ATOM 0 H THR A 87 -18.271 4.233 -5.115 1.00 0.00 H new ATOM 0 HA THR A 87 -16.935 6.634 -4.375 1.00 0.00 H new ATOM 0 HB THR A 87 -17.867 4.308 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.661 5.070 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.250 5.951 -0.908 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.538 5.830 -1.379 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.517 7.211 -1.928 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.572 5.974 -3.928 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.178 5.623 -3.633 1.00 0.00 C ATOM 1310 C GLN A 88 -12.701 6.253 -2.313 1.00 0.00 C ATOM 1311 O GLN A 88 -13.080 7.375 -1.975 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.263 6.085 -4.778 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.176 5.102 -5.939 1.00 0.00 C ATOM 1314 CD GLN A 88 -10.815 5.100 -6.631 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.291 4.042 -6.980 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.231 6.283 -6.838 1.00 0.00 N ATOM 0 H GLN A 88 -14.705 6.933 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.127 4.539 -3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.623 7.043 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.261 6.254 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.390 4.098 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.947 5.346 -6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.694 7.140 -6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.322 6.329 -7.298 1.00 0.00 H new ATOM 1325 N SER A 89 -11.839 5.524 -1.601 1.00 0.00 N ATOM 1326 CA SER A 89 -11.253 5.981 -0.341 1.00 0.00 C ATOM 1327 C SER A 89 -9.818 5.458 -0.263 1.00 0.00 C ATOM 1328 O SER A 89 -9.609 4.251 -0.112 1.00 0.00 O ATOM 1329 CB SER A 89 -12.083 5.482 0.849 1.00 0.00 C ATOM 1330 OG SER A 89 -12.085 6.430 1.904 1.00 0.00 O ATOM 0 H SER A 89 -11.527 4.595 -1.885 1.00 0.00 H new ATOM 0 HA SER A 89 -11.249 7.070 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.106 5.289 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.678 4.536 1.207 1.00 0.00 H new ATOM 0 HG SER A 89 -12.670 6.116 2.625 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.831 6.353 -0.430 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.418 5.947 -0.442 1.00 0.00 C ATOM 1338 C GLU A 90 -6.635 6.389 0.805 1.00 0.00 C ATOM 1339 O GLU A 90 -7.178 7.027 1.707 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.738 6.500 -1.705 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.603 8.017 -1.735 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.305 8.551 -3.123 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -6.873 8.017 -4.098 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.504 9.504 -3.234 1.00 0.00 O ATOM 0 H GLU A 90 -8.984 7.353 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.407 4.857 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.746 6.057 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.307 6.181 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.525 8.467 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.807 8.320 -1.055 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.339 6.045 0.814 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.431 6.394 1.905 1.00 0.00 C ATOM 1353 C ALA A 91 -2.998 6.525 1.379 1.00 0.00 C ATOM 1354 O ALA A 91 -2.746 6.266 0.199 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.498 5.347 3.011 1.00 0.00 C ATOM 0 H ALA A 91 -4.895 5.517 0.063 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.739 7.353 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.816 5.623 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.515 5.294 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.212 4.375 2.610 1.00 0.00 H new ATOM 1361 N THR A 92 -2.061 6.921 2.251 1.00 0.00 N ATOM 1362 CA THR A 92 -0.653 7.075 1.859 1.00 0.00 C ATOM 1363 C THR A 92 0.282 6.734 3.018 1.00 0.00 C ATOM 1364 O THR A 92 -0.106 6.821 4.184 1.00 0.00 O ATOM 1365 CB THR A 92 -0.372 8.503 1.357 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.194 9.449 2.026 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.601 8.660 -0.133 1.00 0.00 C ATOM 0 H THR A 92 -2.251 7.140 3.229 1.00 0.00 H new ATOM 0 HA THR A 92 -0.463 6.376 1.044 1.00 0.00 H new ATOM 0 HB THR A 92 0.681 8.685 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.996 10.349 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.387 9.687 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.058 7.982 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.639 8.424 -0.369 1.00 0.00 H new ATOM 1375 N VAL A 93 1.523 6.351 2.683 1.00 0.00 N ATOM 1376 CA VAL A 93 2.526 6.001 3.697 1.00 0.00 C ATOM 1377 C VAL A 93 3.912 6.548 3.320 1.00 0.00 C ATOM 1378 O VAL A 93 4.476 6.164 2.296 1.00 0.00 O ATOM 1379 CB VAL A 93 2.593 4.461 3.917 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.953 3.731 2.625 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.561 4.096 5.049 1.00 0.00 C ATOM 0 H VAL A 93 1.854 6.276 1.721 1.00 0.00 H new ATOM 0 HA VAL A 93 2.217 6.466 4.633 1.00 0.00 H new ATOM 0 HB VAL A 93 1.598 4.132 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.992 2.658 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.199 3.940 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.926 4.073 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.582 3.013 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.561 4.452 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.229 4.562 5.976 1.00 0.00 H new ATOM 1391 N ASN A 94 4.448 7.439 4.165 1.00 0.00 N ATOM 1392 CA ASN A 94 5.766 8.035 3.931 1.00 0.00 C ATOM 1393 C ASN A 94 6.875 7.008 4.160 1.00 0.00 C ATOM 1394 O ASN A 94 7.341 6.822 5.288 1.00 0.00 O ATOM 1395 CB ASN A 94 5.978 9.251 4.842 1.00 0.00 C ATOM 1396 CG ASN A 94 7.225 10.046 4.483 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.315 10.620 3.398 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.196 10.087 5.393 1.00 0.00 N ATOM 0 H ASN A 94 3.988 7.762 5.016 1.00 0.00 H new ATOM 0 HA ASN A 94 5.807 8.364 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.107 9.903 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.052 8.916 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.052 10.608 5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.084 9.598 6.281 1.00 0.00 H new ATOM 1405 N VAL A 95 7.291 6.339 3.081 1.00 0.00 N ATOM 1406 CA VAL A 95 8.345 5.324 3.157 1.00 0.00 C ATOM 1407 C VAL A 95 9.707 5.933 2.807 1.00 0.00 C ATOM 1408 O VAL A 95 9.913 6.399 1.686 1.00 0.00 O ATOM 1409 CB VAL A 95 8.061 4.121 2.218 1.00 0.00 C ATOM 1410 CG1 VAL A 95 9.023 2.976 2.510 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.610 3.649 2.347 1.00 0.00 C ATOM 0 H VAL A 95 6.914 6.482 2.144 1.00 0.00 H new ATOM 0 HA VAL A 95 8.361 4.958 4.184 1.00 0.00 H new ATOM 0 HB VAL A 95 8.216 4.453 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.809 2.142 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.048 3.313 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.902 2.653 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.441 2.806 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.418 3.341 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.937 4.464 2.081 1.00 0.00 H new ATOM 1421 N LYS A 96 10.626 5.933 3.779 1.00 0.00 N ATOM 1422 CA LYS A 96 11.968 6.491 3.587 1.00 0.00 C ATOM 1423 C LYS A 96 13.002 5.386 3.360 1.00 0.00 C ATOM 1424 O LYS A 96 12.868 4.280 3.892 1.00 0.00 O ATOM 1425 CB LYS A 96 12.361 7.337 4.817 1.00 0.00 C ATOM 1426 CG LYS A 96 12.361 8.841 4.555 1.00 0.00 C ATOM 1427 CD LYS A 96 11.893 9.637 5.767 1.00 0.00 C ATOM 1428 CE LYS A 96 13.024 9.869 6.757 1.00 0.00 C ATOM 1429 NZ LYS A 96 13.853 11.050 6.388 1.00 0.00 N ATOM 0 H LYS A 96 10.463 5.551 4.711 1.00 0.00 H new ATOM 0 HA LYS A 96 11.951 7.123 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.670 7.119 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.354 7.036 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.366 9.160 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.713 9.060 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.493 10.597 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.080 9.104 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.609 10.014 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.656 8.982 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.612 11.173 7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.270 10.901 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.256 11.902 6.371 1.00 0.00 H new ATOM 1443 N ILE A 97 14.055 5.713 2.599 1.00 0.00 N ATOM 1444 CA ILE A 97 15.145 4.772 2.333 1.00 0.00 C ATOM 1445 C ILE A 97 16.487 5.504 2.334 1.00 0.00 C ATOM 1446 O ILE A 97 16.638 6.548 1.698 1.00 0.00 O ATOM 1447 CB ILE A 97 14.972 3.970 1.016 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.529 3.413 0.922 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.014 2.843 0.962 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.285 2.440 -0.215 1.00 0.00 C ATOM 0 H ILE A 97 14.173 6.625 2.157 1.00 0.00 H new ATOM 0 HA ILE A 97 15.118 4.040 3.140 1.00 0.00 H new ATOM 0 HB ILE A 97 15.133 4.625 0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.286 2.917 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.840 4.251 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.893 2.279 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.016 3.272 0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.874 2.177 1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.247 2.109 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.490 2.933 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.943 1.578 -0.104 1.00 0.00 H new ATOM 1462 N PHE A 98 17.452 4.948 3.074 1.00 0.00 N ATOM 1463 CA PHE A 98 18.794 5.536 3.200 1.00 0.00 C ATOM 1464 C PHE A 98 19.843 4.573 2.639 1.00 0.00 C ATOM 1465 O PHE A 98 19.864 3.396 3.000 1.00 0.00 O ATOM 1466 CB PHE A 98 19.122 5.901 4.679 1.00 0.00 C ATOM 1467 CG PHE A 98 18.126 5.393 5.699 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.868 5.970 5.800 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.441 4.332 6.533 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.947 5.499 6.712 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.522 3.859 7.450 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.272 4.443 7.536 1.00 0.00 C ATOM 0 H PHE A 98 17.328 4.083 3.600 1.00 0.00 H new ATOM 0 HA PHE A 98 18.813 6.460 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.107 5.504 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 98 19.185 6.986 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.607 6.798 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.415 3.870 6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.972 5.957 6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.780 3.035 8.098 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.550 4.072 8.249 1.00 0.00 H new ATOM 1482 N GLN A 99 20.703 5.086 1.752 1.00 0.00 N ATOM 1483 CA GLN A 99 21.750 4.277 1.129 1.00 0.00 C ATOM 1484 C GLN A 99 23.004 4.231 2.000 1.00 0.00 C ATOM 1485 O GLN A 99 24.054 3.777 1.499 1.00 0.00 O ATOM 1486 CB GLN A 99 22.086 4.837 -0.256 1.00 0.00 C ATOM 1487 CG GLN A 99 22.579 3.786 -1.237 1.00 0.00 C ATOM 1488 CD GLN A 99 23.012 4.383 -2.563 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.150 4.201 -2.992 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.105 5.102 -3.223 1.00 0.00 N ATOM 1491 OXT GLN A 99 22.925 4.650 3.174 1.00 0.00 O ATOM 0 H GLN A 99 20.692 6.060 1.451 1.00 0.00 H new ATOM 0 HA GLN A 99 21.378 3.258 1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.199 5.319 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.848 5.609 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.417 3.246 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 99 21.787 3.058 -1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.172 5.229 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 99 22.344 5.526 -4.120 1.00 0.00 H new TER 1500 GLN A 99