USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 68 SER OG : rot -160:sc= -0.04 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.721 X(o=-0.76,f=-0.33) USER MOD Set 2.1: A 42 MET CE :methyl 164:sc= -7! (180deg=-1.71) USER MOD Set 2.2: A 61 MET CE :methyl 157:sc= -9.87! (180deg=-4.15) USER MOD Set 3.1: A 21 ASN : amide:sc= -3.29 X(o=-3.4,f=-3!) USER MOD Set 3.2: A 60 GLN : amide:sc= -0.0891 X(o=-3.4,f=-3) USER MOD Set 4.1: A 17 THR OG1 : rot 180:sc= 0.264 USER MOD Set 4.2: A 64 THR OG1 : rot -86:sc= 0.526 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0777 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.78 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 9:sc= 0.261 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc=-0.00273 K(o=-0.0027,f=-1.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -86:sc= -0.0379 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.191 K(o=-0.19,f=-2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 94:sc= 1.19 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 97:sc= -4.64! USER MOD Single : A 50 THR OG1 : rot 47:sc= 0.069 USER MOD Single : A 57 ASN : amide:sc= -0.145 K(o=-0.14,f=-4!) USER MOD Single : A 58 GLN : amide:sc= -0.0023 X(o=-0.0023,f=0) USER MOD Single : A 70 SER OG : rot -137:sc= -0.0425 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -178:sc= -1.16 (180deg=-1.21) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00472 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.896 0.855 -20.847 1.00 0.00 N ATOM 2 CA GLY A 1 -16.959 1.965 -20.816 1.00 0.00 C ATOM 3 C GLY A 1 -17.639 3.242 -20.319 1.00 0.00 C ATOM 4 O GLY A 1 -18.863 3.354 -20.360 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.630 0.156 -20.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.856 1.205 -20.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.874 0.408 -21.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.119 1.719 -20.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.552 2.130 -21.814 1.00 0.00 H new ATOM 8 N SER A 2 -16.815 4.174 -19.862 1.00 0.00 N ATOM 9 CA SER A 2 -17.322 5.439 -19.358 1.00 0.00 C ATOM 10 C SER A 2 -16.909 6.578 -20.292 1.00 0.00 C ATOM 11 O SER A 2 -15.743 6.682 -20.672 1.00 0.00 O ATOM 12 CB SER A 2 -16.818 5.708 -17.938 1.00 0.00 C ATOM 13 OG SER A 2 -15.419 5.977 -17.910 1.00 0.00 O ATOM 0 H SER A 2 -15.800 4.078 -19.830 1.00 0.00 H new ATOM 0 HA SER A 2 -18.410 5.382 -19.324 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.359 6.555 -17.516 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.034 4.846 -17.307 1.00 0.00 H new ATOM 0 HG SER A 2 -15.137 6.145 -16.987 1.00 0.00 H new ATOM 19 N SER A 3 -17.887 7.403 -20.635 1.00 0.00 N ATOM 20 CA SER A 3 -17.639 8.530 -21.518 1.00 0.00 C ATOM 21 C SER A 3 -17.339 9.784 -20.695 1.00 0.00 C ATOM 22 O SER A 3 -16.279 10.389 -20.842 1.00 0.00 O ATOM 23 CB SER A 3 -18.832 8.776 -22.445 1.00 0.00 C ATOM 24 OG SER A 3 -18.581 8.318 -23.771 1.00 0.00 O ATOM 0 H SER A 3 -18.852 7.314 -20.318 1.00 0.00 H new ATOM 0 HA SER A 3 -16.774 8.295 -22.138 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.711 8.269 -22.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.061 9.842 -22.467 1.00 0.00 H new ATOM 0 HG SER A 3 -19.366 8.491 -24.331 1.00 0.00 H new ATOM 30 N GLY A 4 -18.293 10.137 -19.845 1.00 0.00 N ATOM 31 CA GLY A 4 -18.144 11.308 -18.998 1.00 0.00 C ATOM 32 C GLY A 4 -17.048 11.093 -17.952 1.00 0.00 C ATOM 33 O GLY A 4 -16.029 11.781 -17.966 1.00 0.00 O ATOM 0 H GLY A 4 -19.171 9.633 -19.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.901 12.176 -19.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.089 11.524 -18.500 1.00 0.00 H new ATOM 37 N SER A 5 -17.294 10.134 -17.071 1.00 0.00 N ATOM 38 CA SER A 5 -16.341 9.820 -16.021 1.00 0.00 C ATOM 39 C SER A 5 -14.917 9.855 -16.580 1.00 0.00 C ATOM 40 O SER A 5 -14.072 10.603 -16.090 1.00 0.00 O ATOM 41 CB SER A 5 -16.634 8.452 -15.402 1.00 0.00 C ATOM 42 OG SER A 5 -16.907 8.545 -14.007 1.00 0.00 O ATOM 0 H SER A 5 -18.140 9.564 -17.063 1.00 0.00 H new ATOM 0 HA SER A 5 -16.436 10.571 -15.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.486 8.000 -15.909 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.781 7.792 -15.561 1.00 0.00 H new ATOM 0 HG SER A 5 -17.091 7.651 -13.649 1.00 0.00 H new ATOM 48 N SER A 6 -14.694 9.036 -17.597 1.00 0.00 N ATOM 49 CA SER A 6 -13.387 8.964 -18.228 1.00 0.00 C ATOM 50 C SER A 6 -12.965 10.351 -18.717 1.00 0.00 C ATOM 51 O SER A 6 -11.923 10.866 -18.313 1.00 0.00 O ATOM 52 CB SER A 6 -13.390 7.970 -19.390 1.00 0.00 C ATOM 53 OG SER A 6 -12.101 7.836 -19.982 1.00 0.00 O ATOM 0 H SER A 6 -15.397 8.416 -18.000 1.00 0.00 H new ATOM 0 HA SER A 6 -12.669 8.613 -17.487 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.728 6.997 -19.034 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.104 8.298 -20.146 1.00 0.00 H new ATOM 0 HG SER A 6 -12.145 7.191 -20.719 1.00 0.00 H new ATOM 59 N GLY A 7 -13.795 10.918 -19.580 1.00 0.00 N ATOM 60 CA GLY A 7 -13.521 12.235 -20.128 1.00 0.00 C ATOM 61 C GLY A 7 -12.944 13.165 -19.059 1.00 0.00 C ATOM 62 O GLY A 7 -11.822 13.651 -19.194 1.00 0.00 O ATOM 0 H GLY A 7 -14.658 10.489 -19.913 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.819 12.149 -20.957 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.439 12.663 -20.531 1.00 0.00 H new ATOM 66 N SER A 8 -13.737 13.384 -18.020 1.00 0.00 N ATOM 67 CA SER A 8 -13.318 14.247 -16.929 1.00 0.00 C ATOM 68 C SER A 8 -13.951 13.776 -15.618 1.00 0.00 C ATOM 69 O SER A 8 -15.157 13.912 -15.422 1.00 0.00 O ATOM 70 CB SER A 8 -13.692 15.705 -17.205 1.00 0.00 C ATOM 71 OG SER A 8 -12.834 16.301 -18.174 1.00 0.00 O ATOM 0 H SER A 8 -14.667 12.979 -17.911 1.00 0.00 H new ATOM 0 HA SER A 8 -12.233 14.189 -16.844 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.723 15.755 -17.554 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.642 16.274 -16.277 1.00 0.00 H new ATOM 0 HG SER A 8 -12.268 15.611 -18.579 1.00 0.00 H new ATOM 77 N SER A 9 -13.107 13.231 -14.753 1.00 0.00 N ATOM 78 CA SER A 9 -13.569 12.740 -13.466 1.00 0.00 C ATOM 79 C SER A 9 -13.532 13.866 -12.432 1.00 0.00 C ATOM 80 O SER A 9 -14.556 14.201 -11.836 1.00 0.00 O ATOM 81 CB SER A 9 -12.722 11.557 -12.992 1.00 0.00 C ATOM 82 OG SER A 9 -13.185 11.031 -11.752 1.00 0.00 O ATOM 0 H SER A 9 -12.107 13.119 -14.919 1.00 0.00 H new ATOM 0 HA SER A 9 -14.596 12.395 -13.581 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.741 10.772 -13.748 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.684 11.874 -12.887 1.00 0.00 H new ATOM 0 HG SER A 9 -12.619 10.277 -11.485 1.00 0.00 H new ATOM 88 N PHE A 10 -12.343 14.421 -12.249 1.00 0.00 N ATOM 89 CA PHE A 10 -12.160 15.503 -11.297 1.00 0.00 C ATOM 90 C PHE A 10 -12.704 15.119 -9.919 1.00 0.00 C ATOM 91 O PHE A 10 -13.863 15.388 -9.609 1.00 0.00 O ATOM 92 CB PHE A 10 -12.947 16.703 -11.827 1.00 0.00 C ATOM 93 CG PHE A 10 -12.775 17.976 -10.996 1.00 0.00 C ATOM 94 CD1 PHE A 10 -11.608 18.672 -11.052 1.00 0.00 C ATOM 95 CD2 PHE A 10 -13.789 18.412 -10.201 1.00 0.00 C ATOM 96 CE1 PHE A 10 -11.448 19.854 -10.281 1.00 0.00 C ATOM 97 CE2 PHE A 10 -13.629 19.594 -9.430 1.00 0.00 C ATOM 98 CZ PHE A 10 -12.462 20.290 -9.487 1.00 0.00 C ATOM 0 H PHE A 10 -11.496 14.141 -12.744 1.00 0.00 H new ATOM 0 HA PHE A 10 -11.099 15.728 -11.189 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -12.635 16.905 -12.852 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.005 16.444 -11.861 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.803 18.326 -11.683 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.716 17.859 -10.156 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.521 20.406 -10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -14.434 19.940 -8.799 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.341 21.189 -8.901 1.00 0.00 H new ATOM 108 N GLN A 11 -11.840 14.497 -9.130 1.00 0.00 N ATOM 109 CA GLN A 11 -12.220 14.073 -7.793 1.00 0.00 C ATOM 110 C GLN A 11 -11.046 13.372 -7.106 1.00 0.00 C ATOM 111 O GLN A 11 -10.807 12.187 -7.333 1.00 0.00 O ATOM 112 CB GLN A 11 -13.452 13.167 -7.834 1.00 0.00 C ATOM 113 CG GLN A 11 -14.663 13.862 -7.209 1.00 0.00 C ATOM 114 CD GLN A 11 -15.886 12.941 -7.213 1.00 0.00 C ATOM 115 OE1 GLN A 11 -16.364 12.496 -6.183 1.00 0.00 O ATOM 116 NE2 GLN A 11 -16.363 12.681 -8.428 1.00 0.00 N ATOM 0 H GLN A 11 -10.879 14.277 -9.391 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.481 14.958 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.675 12.897 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.244 12.240 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.429 14.158 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.888 14.774 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.915 13.087 -9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.177 12.076 -8.538 1.00 0.00 H new ATOM 125 N GLY A 12 -10.345 14.134 -6.279 1.00 0.00 N ATOM 126 CA GLY A 12 -9.203 13.601 -5.557 1.00 0.00 C ATOM 127 C GLY A 12 -9.313 13.898 -4.060 1.00 0.00 C ATOM 128 O GLY A 12 -9.642 15.017 -3.668 1.00 0.00 O ATOM 0 H GLY A 12 -10.546 15.117 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.139 12.524 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.284 14.035 -5.951 1.00 0.00 H new ATOM 132 N PRO A 13 -9.023 12.850 -3.243 1.00 0.00 N ATOM 133 CA PRO A 13 -9.086 12.988 -1.798 1.00 0.00 C ATOM 134 C PRO A 13 -7.886 13.776 -1.269 1.00 0.00 C ATOM 135 O PRO A 13 -6.774 13.253 -1.205 1.00 0.00 O ATOM 136 CB PRO A 13 -9.141 11.564 -1.269 1.00 0.00 C ATOM 137 CG PRO A 13 -8.640 10.680 -2.399 1.00 0.00 C ATOM 138 CD PRO A 13 -8.630 11.511 -3.672 1.00 0.00 C ATOM 0 HA PRO A 13 -9.956 13.556 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.519 11.453 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.157 11.293 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.639 10.308 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.285 9.809 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.643 11.517 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.325 11.112 -4.411 1.00 0.00 H new ATOM 146 N LEU A 14 -8.151 15.022 -0.904 1.00 0.00 N ATOM 147 CA LEU A 14 -7.106 15.888 -0.384 1.00 0.00 C ATOM 148 C LEU A 14 -6.288 15.122 0.659 1.00 0.00 C ATOM 149 O LEU A 14 -5.059 15.134 0.619 1.00 0.00 O ATOM 150 CB LEU A 14 -7.705 17.193 0.143 1.00 0.00 C ATOM 151 CG LEU A 14 -8.402 18.077 -0.894 1.00 0.00 C ATOM 152 CD1 LEU A 14 -9.360 19.062 -0.220 1.00 0.00 C ATOM 153 CD2 LEU A 14 -7.381 18.789 -1.783 1.00 0.00 C ATOM 0 H LEU A 14 -9.074 15.453 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.420 16.177 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.423 16.950 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.909 17.773 0.610 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.001 17.436 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.842 19.678 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.119 18.510 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.803 19.701 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.903 19.410 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.736 19.416 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.775 18.049 -2.306 1.00 0.00 H new ATOM 165 N ASP A 15 -7.004 14.475 1.567 1.00 0.00 N ATOM 166 CA ASP A 15 -6.359 13.706 2.618 1.00 0.00 C ATOM 167 C ASP A 15 -5.227 12.873 2.014 1.00 0.00 C ATOM 168 O ASP A 15 -4.128 12.822 2.563 1.00 0.00 O ATOM 169 CB ASP A 15 -7.348 12.747 3.284 1.00 0.00 C ATOM 170 CG ASP A 15 -8.302 12.033 2.324 1.00 0.00 C ATOM 171 OD1 ASP A 15 -9.177 12.732 1.769 1.00 0.00 O ATOM 172 OD2 ASP A 15 -8.135 10.804 2.168 1.00 0.00 O ATOM 0 H ASP A 15 -8.024 14.467 1.597 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.978 14.406 3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.785 11.996 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.938 13.305 4.011 1.00 0.00 H new ATOM 177 N ALA A 16 -5.535 12.242 0.890 1.00 0.00 N ATOM 178 CA ALA A 16 -4.557 11.414 0.205 1.00 0.00 C ATOM 179 C ALA A 16 -4.197 10.219 1.091 1.00 0.00 C ATOM 180 O ALA A 16 -3.092 10.150 1.627 1.00 0.00 O ATOM 181 CB ALA A 16 -3.335 12.261 -0.156 1.00 0.00 C ATOM 0 H ALA A 16 -6.448 12.288 0.437 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.969 11.023 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.601 11.640 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.639 13.079 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.893 12.668 0.753 1.00 0.00 H new ATOM 187 N THR A 17 -5.151 9.308 1.216 1.00 0.00 N ATOM 188 CA THR A 17 -4.948 8.120 2.027 1.00 0.00 C ATOM 189 C THR A 17 -5.463 6.879 1.294 1.00 0.00 C ATOM 190 O THR A 17 -6.472 6.943 0.592 1.00 0.00 O ATOM 191 CB THR A 17 -5.624 8.350 3.380 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.936 9.473 3.925 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.342 7.222 4.375 1.00 0.00 C ATOM 0 H THR A 17 -6.066 9.369 0.769 1.00 0.00 H new ATOM 0 HA THR A 17 -3.888 7.938 2.203 1.00 0.00 H new ATOM 0 HB THR A 17 -6.700 8.447 3.236 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.312 9.692 4.803 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.845 7.435 5.318 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.712 6.280 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.268 7.147 4.545 1.00 0.00 H new ATOM 201 N VAL A 18 -4.748 5.780 1.482 1.00 0.00 N ATOM 202 CA VAL A 18 -5.120 4.527 0.847 1.00 0.00 C ATOM 203 C VAL A 18 -4.949 3.383 1.848 1.00 0.00 C ATOM 204 O VAL A 18 -4.006 3.381 2.638 1.00 0.00 O ATOM 205 CB VAL A 18 -4.308 4.328 -0.434 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.414 5.552 -1.346 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.847 4.009 -0.113 1.00 0.00 C ATOM 0 H VAL A 18 -3.913 5.731 2.065 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.169 4.545 0.551 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.728 3.475 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.828 5.384 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.457 5.716 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.033 6.429 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.292 3.872 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.411 4.832 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.796 3.095 0.479 1.00 0.00 H new ATOM 217 N VAL A 19 -5.874 2.437 1.781 1.00 0.00 N ATOM 218 CA VAL A 19 -5.837 1.290 2.672 1.00 0.00 C ATOM 219 C VAL A 19 -5.116 0.133 1.976 1.00 0.00 C ATOM 220 O VAL A 19 -5.726 -0.613 1.212 1.00 0.00 O ATOM 221 CB VAL A 19 -7.255 0.928 3.119 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.229 -0.155 4.199 1.00 0.00 C ATOM 223 CG2 VAL A 19 -8.010 2.167 3.602 1.00 0.00 C ATOM 0 H VAL A 19 -6.654 2.441 1.123 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.276 1.527 3.576 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.787 0.527 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.249 -0.394 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.747 -1.050 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.672 0.206 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.015 1.882 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.480 2.610 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.074 2.893 2.792 1.00 0.00 H new ATOM 233 N VAL A 20 -3.828 0.020 2.267 1.00 0.00 N ATOM 234 CA VAL A 20 -3.018 -1.033 1.679 1.00 0.00 C ATOM 235 C VAL A 20 -3.250 -2.337 2.444 1.00 0.00 C ATOM 236 O VAL A 20 -3.021 -2.402 3.651 1.00 0.00 O ATOM 237 CB VAL A 20 -1.548 -0.609 1.653 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.646 -1.782 1.265 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.337 0.579 0.712 1.00 0.00 C ATOM 0 H VAL A 20 -3.326 0.640 2.902 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.311 -1.207 0.644 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.273 -0.293 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.393 -1.454 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.764 -2.587 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.923 -2.142 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.284 0.861 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.638 0.301 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.938 1.423 1.051 1.00 0.00 H new ATOM 249 N ASN A 21 -3.703 -3.343 1.711 1.00 0.00 N ATOM 250 CA ASN A 21 -3.969 -4.642 2.306 1.00 0.00 C ATOM 251 C ASN A 21 -3.155 -5.710 1.573 1.00 0.00 C ATOM 252 O ASN A 21 -2.481 -5.415 0.588 1.00 0.00 O ATOM 253 CB ASN A 21 -5.449 -5.010 2.186 1.00 0.00 C ATOM 254 CG ASN A 21 -6.197 -4.706 3.486 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.137 -5.446 4.454 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.903 -3.579 3.453 1.00 0.00 N ATOM 0 H ASN A 21 -3.893 -3.285 0.710 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.694 -4.593 3.360 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.900 -4.454 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.546 -6.069 1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.438 -3.288 4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.909 -3.006 2.609 1.00 0.00 H new ATOM 263 N LEU A 22 -3.246 -6.930 2.082 1.00 0.00 N ATOM 264 CA LEU A 22 -2.526 -8.044 1.488 1.00 0.00 C ATOM 265 C LEU A 22 -3.530 -9.090 0.997 1.00 0.00 C ATOM 266 O LEU A 22 -4.556 -9.318 1.635 1.00 0.00 O ATOM 267 CB LEU A 22 -1.491 -8.598 2.469 1.00 0.00 C ATOM 268 CG LEU A 22 -0.155 -7.856 2.525 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.686 -8.328 3.712 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.600 -7.986 1.200 1.00 0.00 C ATOM 0 H LEU A 22 -3.807 -7.172 2.899 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.960 -7.711 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.928 -8.594 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.295 -9.639 2.210 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.359 -6.796 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.630 -7.784 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.144 -8.141 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.884 -9.396 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.546 -7.449 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.793 -9.039 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.001 -7.563 0.396 1.00 0.00 H new ATOM 282 N GLN A 23 -3.198 -9.697 -0.133 1.00 0.00 N ATOM 283 CA GLN A 23 -4.057 -10.713 -0.717 1.00 0.00 C ATOM 284 C GLN A 23 -4.031 -11.983 0.135 1.00 0.00 C ATOM 285 O GLN A 23 -5.049 -12.372 0.707 1.00 0.00 O ATOM 286 CB GLN A 23 -3.648 -11.013 -2.161 1.00 0.00 C ATOM 287 CG GLN A 23 -4.160 -9.930 -3.112 1.00 0.00 C ATOM 288 CD GLN A 23 -4.974 -10.543 -4.254 1.00 0.00 C ATOM 289 OE1 GLN A 23 -4.445 -11.144 -5.174 1.00 0.00 O ATOM 290 NE2 GLN A 23 -6.286 -10.358 -4.143 1.00 0.00 N ATOM 0 H GLN A 23 -2.346 -9.505 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.078 -10.332 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.562 -11.078 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.045 -11.983 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.777 -9.220 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.318 -9.371 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.663 -9.845 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.915 -10.729 -4.855 1.00 0.00 H new ATOM 299 N SER A 24 -2.858 -12.596 0.193 1.00 0.00 N ATOM 300 CA SER A 24 -2.687 -13.814 0.966 1.00 0.00 C ATOM 301 C SER A 24 -1.564 -13.632 1.989 1.00 0.00 C ATOM 302 O SER A 24 -0.455 -14.126 1.794 1.00 0.00 O ATOM 303 CB SER A 24 -2.386 -15.006 0.055 1.00 0.00 C ATOM 304 OG SER A 24 -3.510 -15.872 -0.080 1.00 0.00 O ATOM 0 H SER A 24 -2.016 -12.272 -0.283 1.00 0.00 H new ATOM 0 HA SER A 24 -3.619 -14.019 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.087 -14.644 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.543 -15.567 0.458 1.00 0.00 H new ATOM 0 HG SER A 24 -3.278 -16.619 -0.670 1.00 0.00 H new ATOM 310 N PRO A 25 -1.900 -12.901 3.086 1.00 0.00 N ATOM 311 CA PRO A 25 -0.933 -12.647 4.141 1.00 0.00 C ATOM 312 C PRO A 25 -0.715 -13.896 4.997 1.00 0.00 C ATOM 313 O PRO A 25 -1.577 -14.771 5.056 1.00 0.00 O ATOM 314 CB PRO A 25 -1.508 -11.481 4.929 1.00 0.00 C ATOM 315 CG PRO A 25 -2.985 -11.427 4.576 1.00 0.00 C ATOM 316 CD PRO A 25 -3.204 -12.300 3.351 1.00 0.00 C ATOM 0 HA PRO A 25 0.056 -12.401 3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.368 -11.627 6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.009 -10.548 4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.590 -11.782 5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.292 -10.401 4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.961 -13.062 3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.548 -11.711 2.501 1.00 0.00 H new ATOM 324 N THR A 26 0.444 -13.940 5.638 1.00 0.00 N ATOM 325 CA THR A 26 0.787 -15.067 6.488 1.00 0.00 C ATOM 326 C THR A 26 0.597 -14.702 7.961 1.00 0.00 C ATOM 327 O THR A 26 0.010 -13.668 8.277 1.00 0.00 O ATOM 328 CB THR A 26 2.216 -15.498 6.148 1.00 0.00 C ATOM 329 OG1 THR A 26 3.031 -14.486 6.732 1.00 0.00 O ATOM 330 CG2 THR A 26 2.516 -15.401 4.651 1.00 0.00 C ATOM 0 H THR A 26 1.157 -13.213 5.586 1.00 0.00 H new ATOM 0 HA THR A 26 0.125 -15.914 6.308 1.00 0.00 H new ATOM 0 HB THR A 26 2.376 -16.522 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.129 -13.741 6.103 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.542 -15.718 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.831 -16.046 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.389 -14.370 4.321 1.00 0.00 H new ATOM 338 N LEU A 27 1.104 -15.571 8.824 1.00 0.00 N ATOM 339 CA LEU A 27 0.997 -15.353 10.256 1.00 0.00 C ATOM 340 C LEU A 27 1.439 -13.926 10.585 1.00 0.00 C ATOM 341 O LEU A 27 0.618 -13.087 10.953 1.00 0.00 O ATOM 342 CB LEU A 27 1.771 -16.428 11.021 1.00 0.00 C ATOM 343 CG LEU A 27 1.008 -17.720 11.320 1.00 0.00 C ATOM 344 CD1 LEU A 27 1.375 -18.818 10.320 1.00 0.00 C ATOM 345 CD2 LEU A 27 1.229 -18.165 12.767 1.00 0.00 C ATOM 0 H LEU A 27 1.590 -16.427 8.558 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.040 -15.448 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.664 -16.681 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.108 -16.002 11.966 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.057 -17.522 11.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.819 -19.725 10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.124 -18.490 9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.444 -19.022 10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.676 -19.085 12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.292 -18.340 12.936 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.877 -17.387 13.445 1.00 0.00 H new ATOM 357 N GLU A 28 2.735 -13.693 10.439 1.00 0.00 N ATOM 358 CA GLU A 28 3.296 -12.382 10.716 1.00 0.00 C ATOM 359 C GLU A 28 2.325 -11.285 10.274 1.00 0.00 C ATOM 360 O GLU A 28 1.952 -10.424 11.068 1.00 0.00 O ATOM 361 CB GLU A 28 4.658 -12.214 10.039 1.00 0.00 C ATOM 362 CG GLU A 28 4.562 -12.492 8.538 1.00 0.00 C ATOM 363 CD GLU A 28 5.900 -12.987 7.985 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.866 -12.196 8.043 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.927 -14.146 7.518 1.00 0.00 O ATOM 0 H GLU A 28 3.413 -14.391 10.132 1.00 0.00 H new ATOM 0 HA GLU A 28 3.448 -12.294 11.792 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.027 -11.201 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.380 -12.893 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.789 -13.238 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.262 -11.584 8.015 1.00 0.00 H new ATOM 372 N GLU A 29 1.943 -11.353 9.006 1.00 0.00 N ATOM 373 CA GLU A 29 1.023 -10.376 8.449 1.00 0.00 C ATOM 374 C GLU A 29 -0.306 -10.407 9.206 1.00 0.00 C ATOM 375 O GLU A 29 -0.840 -9.362 9.574 1.00 0.00 O ATOM 376 CB GLU A 29 0.808 -10.617 6.953 1.00 0.00 C ATOM 377 CG GLU A 29 2.060 -10.251 6.154 1.00 0.00 C ATOM 378 CD GLU A 29 2.312 -11.265 5.035 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.734 -11.062 3.946 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.077 -12.219 5.295 1.00 0.00 O ATOM 0 H GLU A 29 2.254 -12.069 8.350 1.00 0.00 H new ATOM 0 HA GLU A 29 1.461 -9.385 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.556 -11.664 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.037 -10.024 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.945 -9.254 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.923 -10.216 6.819 1.00 0.00 H new ATOM 387 N LYS A 30 -0.803 -11.617 9.416 1.00 0.00 N ATOM 388 CA LYS A 30 -2.060 -11.798 10.122 1.00 0.00 C ATOM 389 C LYS A 30 -1.982 -11.097 11.480 1.00 0.00 C ATOM 390 O LYS A 30 -2.993 -10.625 11.997 1.00 0.00 O ATOM 391 CB LYS A 30 -2.412 -13.284 10.217 1.00 0.00 C ATOM 392 CG LYS A 30 -3.272 -13.720 9.028 1.00 0.00 C ATOM 393 CD LYS A 30 -2.583 -14.831 8.233 1.00 0.00 C ATOM 394 CE LYS A 30 -3.596 -15.880 7.767 1.00 0.00 C ATOM 395 NZ LYS A 30 -3.645 -17.012 8.719 1.00 0.00 N ATOM 0 H LYS A 30 -0.358 -12.482 9.109 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.878 -11.335 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.498 -13.877 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.947 -13.476 11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.241 -14.070 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.461 -12.866 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.074 -14.403 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.820 -15.306 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.584 -15.427 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.323 -16.242 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.337 -17.714 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.706 -17.454 8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.927 -16.664 9.658 1.00 0.00 H new ATOM 409 N ASN A 31 -0.772 -11.051 12.018 1.00 0.00 N ATOM 410 CA ASN A 31 -0.550 -10.415 13.306 1.00 0.00 C ATOM 411 C ASN A 31 -0.306 -8.920 13.096 1.00 0.00 C ATOM 412 O ASN A 31 -0.885 -8.089 13.794 1.00 0.00 O ATOM 413 CB ASN A 31 0.679 -11.001 14.004 1.00 0.00 C ATOM 414 CG ASN A 31 0.319 -12.274 14.773 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.834 -12.550 15.062 1.00 0.00 O ATOM 416 ND2 ASN A 31 1.366 -13.031 15.087 1.00 0.00 N ATOM 0 H ASN A 31 0.064 -11.443 11.586 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.432 -10.586 13.923 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.449 -11.224 13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.098 -10.264 14.689 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.230 -13.902 15.601 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.305 -12.741 14.814 1.00 0.00 H new ATOM 423 N GLU A 32 0.551 -8.622 12.131 1.00 0.00 N ATOM 424 CA GLU A 32 0.878 -7.241 11.820 1.00 0.00 C ATOM 425 C GLU A 32 1.846 -7.177 10.637 1.00 0.00 C ATOM 426 O GLU A 32 2.830 -7.915 10.595 1.00 0.00 O ATOM 427 CB GLU A 32 1.459 -6.526 13.042 1.00 0.00 C ATOM 428 CG GLU A 32 0.912 -5.102 13.156 1.00 0.00 C ATOM 429 CD GLU A 32 0.586 -4.755 14.610 1.00 0.00 C ATOM 430 OE1 GLU A 32 1.523 -4.321 15.314 1.00 0.00 O ATOM 431 OE2 GLU A 32 -0.594 -4.932 14.985 1.00 0.00 O ATOM 0 H GLU A 32 1.029 -9.314 11.554 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.041 -6.726 11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.216 -7.086 13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.546 -6.497 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.644 -4.395 12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.015 -5.003 12.545 1.00 0.00 H new ATOM 438 N PHE A 33 1.533 -6.290 9.704 1.00 0.00 N ATOM 439 CA PHE A 33 2.363 -6.121 8.523 1.00 0.00 C ATOM 440 C PHE A 33 3.847 -6.255 8.872 1.00 0.00 C ATOM 441 O PHE A 33 4.302 -5.718 9.881 1.00 0.00 O ATOM 442 CB PHE A 33 2.102 -4.710 7.991 1.00 0.00 C ATOM 443 CG PHE A 33 2.188 -4.594 6.468 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.401 -4.486 5.862 1.00 0.00 C ATOM 445 CD2 PHE A 33 1.053 -4.599 5.720 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.482 -4.378 4.449 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.133 -4.491 4.306 1.00 0.00 C ATOM 448 CZ PHE A 33 2.346 -4.383 3.700 1.00 0.00 C ATOM 0 H PHE A 33 0.716 -5.681 9.742 1.00 0.00 H new ATOM 0 HA PHE A 33 2.120 -6.886 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.112 -4.388 8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.822 -4.025 8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.303 -4.482 6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.090 -4.685 6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.445 -4.292 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.231 -4.495 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.407 -4.301 2.625 1.00 0.00 H new ATOM 458 N PRO A 34 4.579 -6.993 7.996 1.00 0.00 N ATOM 459 CA PRO A 34 6.002 -7.204 8.201 1.00 0.00 C ATOM 460 C PRO A 34 6.798 -5.943 7.858 1.00 0.00 C ATOM 461 O PRO A 34 6.313 -5.076 7.133 1.00 0.00 O ATOM 462 CB PRO A 34 6.355 -8.388 7.316 1.00 0.00 C ATOM 463 CG PRO A 34 5.229 -8.502 6.302 1.00 0.00 C ATOM 464 CD PRO A 34 4.074 -7.643 6.790 1.00 0.00 C ATOM 0 HA PRO A 34 6.251 -7.413 9.241 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.313 -8.233 6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.445 -9.302 7.904 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.564 -8.169 5.320 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.914 -9.540 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.781 -6.910 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.194 -8.249 7.006 1.00 0.00 H new ATOM 472 N GLU A 35 8.007 -5.881 8.396 1.00 0.00 N ATOM 473 CA GLU A 35 8.876 -4.741 8.156 1.00 0.00 C ATOM 474 C GLU A 35 9.665 -4.938 6.860 1.00 0.00 C ATOM 475 O GLU A 35 10.202 -3.981 6.305 1.00 0.00 O ATOM 476 CB GLU A 35 9.816 -4.509 9.341 1.00 0.00 C ATOM 477 CG GLU A 35 10.609 -5.776 9.667 1.00 0.00 C ATOM 478 CD GLU A 35 10.051 -6.467 10.913 1.00 0.00 C ATOM 479 OE1 GLU A 35 9.085 -7.243 10.747 1.00 0.00 O ATOM 480 OE2 GLU A 35 10.604 -6.204 12.003 1.00 0.00 O ATOM 0 H GLU A 35 8.406 -6.602 8.998 1.00 0.00 H new ATOM 0 HA GLU A 35 8.255 -3.852 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.503 -3.695 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.239 -4.202 10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.572 -6.461 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.657 -5.522 9.826 1.00 0.00 H new ATOM 487 N ASP A 36 9.710 -6.185 6.416 1.00 0.00 N ATOM 488 CA ASP A 36 10.425 -6.520 5.196 1.00 0.00 C ATOM 489 C ASP A 36 9.565 -6.145 3.987 1.00 0.00 C ATOM 490 O ASP A 36 10.086 -5.914 2.898 1.00 0.00 O ATOM 491 CB ASP A 36 10.716 -8.020 5.122 1.00 0.00 C ATOM 492 CG ASP A 36 11.740 -8.531 6.137 1.00 0.00 C ATOM 493 OD1 ASP A 36 11.305 -8.879 7.256 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.935 -8.562 5.771 1.00 0.00 O ATOM 0 H ASP A 36 9.263 -6.976 6.879 1.00 0.00 H new ATOM 0 HA ASP A 36 11.366 -5.970 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.782 -8.563 5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.072 -8.257 4.119 1.00 0.00 H new ATOM 499 N LEU A 37 8.261 -6.096 4.221 1.00 0.00 N ATOM 500 CA LEU A 37 7.324 -5.754 3.165 1.00 0.00 C ATOM 501 C LEU A 37 7.015 -4.257 3.230 1.00 0.00 C ATOM 502 O LEU A 37 7.021 -3.573 2.207 1.00 0.00 O ATOM 503 CB LEU A 37 6.081 -6.642 3.243 1.00 0.00 C ATOM 504 CG LEU A 37 6.313 -8.141 3.042 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.990 -8.909 3.063 1.00 0.00 C ATOM 506 CD2 LEU A 37 7.109 -8.405 1.762 1.00 0.00 C ATOM 0 H LEU A 37 7.832 -6.288 5.126 1.00 0.00 H new ATOM 0 HA LEU A 37 7.765 -5.948 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.614 -6.494 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.368 -6.301 2.492 1.00 0.00 H new ATOM 0 HG LEU A 37 6.911 -8.509 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.184 -9.972 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.497 -8.758 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.345 -8.545 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.260 -9.478 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.558 -8.018 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.076 -7.907 1.826 1.00 0.00 H new ATOM 518 N ARG A 38 6.752 -3.791 4.442 1.00 0.00 N ATOM 519 CA ARG A 38 6.442 -2.387 4.653 1.00 0.00 C ATOM 520 C ARG A 38 7.307 -1.510 3.747 1.00 0.00 C ATOM 521 O ARG A 38 6.829 -0.988 2.741 1.00 0.00 O ATOM 522 CB ARG A 38 6.672 -1.985 6.111 1.00 0.00 C ATOM 523 CG ARG A 38 5.348 -1.909 6.874 1.00 0.00 C ATOM 524 CD ARG A 38 5.423 -2.698 8.183 1.00 0.00 C ATOM 525 NE ARG A 38 5.126 -1.808 9.328 1.00 0.00 N ATOM 526 CZ ARG A 38 5.943 -0.837 9.758 1.00 0.00 C ATOM 527 NH1 ARG A 38 7.113 -0.624 9.140 1.00 0.00 N ATOM 528 NH2 ARG A 38 5.590 -0.079 10.805 1.00 0.00 N ATOM 0 H ARG A 38 6.747 -4.361 5.288 1.00 0.00 H new ATOM 0 HA ARG A 38 5.390 -2.240 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.332 -2.707 6.591 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.175 -1.019 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.106 -0.868 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.543 -2.303 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.713 -3.524 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.415 -3.134 8.298 1.00 0.00 H new ATOM 0 HE ARG A 38 4.243 -1.943 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.381 -1.201 8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.735 0.115 9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.699 -0.241 11.275 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.212 0.660 11.132 1.00 0.00 H new ATOM 542 N THR A 39 8.567 -1.374 4.135 1.00 0.00 N ATOM 543 CA THR A 39 9.504 -0.569 3.370 1.00 0.00 C ATOM 544 C THR A 39 9.250 -0.736 1.871 1.00 0.00 C ATOM 545 O THR A 39 8.832 0.207 1.200 1.00 0.00 O ATOM 546 CB THR A 39 10.920 -0.961 3.794 1.00 0.00 C ATOM 547 OG1 THR A 39 11.056 -0.413 5.102 1.00 0.00 O ATOM 548 CG2 THR A 39 11.996 -0.244 2.976 1.00 0.00 C ATOM 0 H THR A 39 8.961 -1.808 4.970 1.00 0.00 H new ATOM 0 HA THR A 39 9.371 0.494 3.574 1.00 0.00 H new ATOM 0 HB THR A 39 11.044 -2.039 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.947 -0.622 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.982 -0.558 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.880 -0.496 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.894 0.833 3.105 1.00 0.00 H new ATOM 556 N GLU A 40 9.512 -1.942 1.389 1.00 0.00 N ATOM 557 CA GLU A 40 9.318 -2.244 -0.018 1.00 0.00 C ATOM 558 C GLU A 40 8.019 -1.612 -0.522 1.00 0.00 C ATOM 559 O GLU A 40 7.988 -1.027 -1.604 1.00 0.00 O ATOM 560 CB GLU A 40 9.322 -3.755 -0.260 1.00 0.00 C ATOM 561 CG GLU A 40 10.627 -4.200 -0.922 1.00 0.00 C ATOM 562 CD GLU A 40 11.806 -4.061 0.044 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.579 -4.285 1.252 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.908 -3.735 -0.449 1.00 0.00 O ATOM 0 H GLU A 40 9.857 -2.722 1.949 1.00 0.00 H new ATOM 0 HA GLU A 40 10.149 -1.817 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.193 -4.279 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.477 -4.028 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.539 -5.237 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.810 -3.600 -1.814 1.00 0.00 H new ATOM 571 N LEU A 41 6.978 -1.750 0.286 1.00 0.00 N ATOM 572 CA LEU A 41 5.680 -1.199 -0.064 1.00 0.00 C ATOM 573 C LEU A 41 5.741 0.328 0.011 1.00 0.00 C ATOM 574 O LEU A 41 5.416 1.014 -0.956 1.00 0.00 O ATOM 575 CB LEU A 41 4.584 -1.815 0.808 1.00 0.00 C ATOM 576 CG LEU A 41 3.699 -2.864 0.132 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.219 -4.277 0.404 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.237 -2.701 0.550 1.00 0.00 C ATOM 0 H LEU A 41 7.007 -2.236 1.182 1.00 0.00 H new ATOM 0 HA LEU A 41 5.421 -1.457 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.054 -2.272 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.945 -1.012 1.175 1.00 0.00 H new ATOM 0 HG LEU A 41 3.744 -2.706 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.572 -5.004 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.233 -4.373 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.223 -4.463 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.630 -3.459 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.152 -2.817 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.885 -1.710 0.263 1.00 0.00 H new ATOM 590 N MET A 42 6.160 0.815 1.170 1.00 0.00 N ATOM 591 CA MET A 42 6.268 2.248 1.385 1.00 0.00 C ATOM 592 C MET A 42 7.033 2.917 0.242 1.00 0.00 C ATOM 593 O MET A 42 6.654 3.995 -0.216 1.00 0.00 O ATOM 594 CB MET A 42 6.990 2.513 2.707 1.00 0.00 C ATOM 595 CG MET A 42 6.220 1.910 3.884 1.00 0.00 C ATOM 596 SD MET A 42 4.549 2.537 3.905 1.00 0.00 S ATOM 597 CE MET A 42 3.641 1.001 3.866 1.00 0.00 C ATOM 0 H MET A 42 6.429 0.242 1.970 1.00 0.00 H new ATOM 0 HA MET A 42 5.263 2.668 1.420 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.993 2.089 2.669 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.104 3.587 2.854 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.208 0.823 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.721 2.155 4.821 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.606 1.183 4.157 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.667 0.588 2.858 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.094 0.293 4.560 1.00 0.00 H new ATOM 607 N GLN A 43 8.095 2.251 -0.187 1.00 0.00 N ATOM 608 CA GLN A 43 8.916 2.768 -1.269 1.00 0.00 C ATOM 609 C GLN A 43 8.243 2.508 -2.618 1.00 0.00 C ATOM 610 O GLN A 43 8.235 3.375 -3.490 1.00 0.00 O ATOM 611 CB GLN A 43 10.320 2.161 -1.230 1.00 0.00 C ATOM 612 CG GLN A 43 10.999 2.437 0.113 1.00 0.00 C ATOM 613 CD GLN A 43 11.732 3.780 0.091 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.862 3.892 -0.355 1.00 0.00 O ATOM 615 NE2 GLN A 43 11.028 4.788 0.597 1.00 0.00 N ATOM 0 H GLN A 43 8.406 1.358 0.195 1.00 0.00 H new ATOM 0 HA GLN A 43 9.018 3.845 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.260 1.086 -1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.922 2.576 -2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.253 2.439 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.704 1.637 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.087 4.624 0.954 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.429 5.725 0.629 1.00 0.00 H new ATOM 624 N THR A 44 7.694 1.309 -2.747 1.00 0.00 N ATOM 625 CA THR A 44 7.020 0.923 -3.975 1.00 0.00 C ATOM 626 C THR A 44 5.915 1.925 -4.315 1.00 0.00 C ATOM 627 O THR A 44 5.926 2.527 -5.388 1.00 0.00 O ATOM 628 CB THR A 44 6.510 -0.509 -3.805 1.00 0.00 C ATOM 629 OG1 THR A 44 7.636 -1.320 -4.127 1.00 0.00 O ATOM 630 CG2 THR A 44 5.465 -0.888 -4.857 1.00 0.00 C ATOM 0 H THR A 44 7.702 0.592 -2.021 1.00 0.00 H new ATOM 0 HA THR A 44 7.704 0.941 -4.823 1.00 0.00 H new ATOM 0 HB THR A 44 6.081 -0.625 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.122 -1.546 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.137 -1.914 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.610 -0.216 -4.779 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.903 -0.804 -5.852 1.00 0.00 H new ATOM 638 N LEU A 45 4.988 2.075 -3.381 1.00 0.00 N ATOM 639 CA LEU A 45 3.878 2.994 -3.568 1.00 0.00 C ATOM 640 C LEU A 45 4.399 4.432 -3.513 1.00 0.00 C ATOM 641 O LEU A 45 3.988 5.274 -4.310 1.00 0.00 O ATOM 642 CB LEU A 45 2.766 2.704 -2.558 1.00 0.00 C ATOM 643 CG LEU A 45 2.510 1.227 -2.249 1.00 0.00 C ATOM 644 CD1 LEU A 45 2.560 0.966 -0.742 1.00 0.00 C ATOM 645 CD2 LEU A 45 1.191 0.759 -2.868 1.00 0.00 C ATOM 0 H LEU A 45 4.983 1.575 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 45 3.428 2.854 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.007 3.213 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.840 3.143 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 45 3.307 0.639 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.375 -0.091 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.543 1.238 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.797 1.565 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.033 -0.294 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.369 1.349 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.231 0.888 -3.950 1.00 0.00 H new ATOM 657 N GLY A 46 5.294 4.668 -2.566 1.00 0.00 N ATOM 658 CA GLY A 46 5.874 5.990 -2.397 1.00 0.00 C ATOM 659 C GLY A 46 6.409 6.527 -3.726 1.00 0.00 C ATOM 660 O GLY A 46 6.221 7.700 -4.046 1.00 0.00 O ATOM 0 H GLY A 46 5.632 3.966 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.123 6.673 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.682 5.946 -1.667 1.00 0.00 H new ATOM 664 N SER A 47 7.064 5.644 -4.464 1.00 0.00 N ATOM 665 CA SER A 47 7.627 6.015 -5.751 1.00 0.00 C ATOM 666 C SER A 47 6.662 6.938 -6.498 1.00 0.00 C ATOM 667 O SER A 47 6.988 8.091 -6.774 1.00 0.00 O ATOM 668 CB SER A 47 7.937 4.777 -6.595 1.00 0.00 C ATOM 669 OG SER A 47 8.874 5.058 -7.631 1.00 0.00 O ATOM 0 H SER A 47 7.218 4.672 -4.195 1.00 0.00 H new ATOM 0 HA SER A 47 8.563 6.544 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.332 3.990 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.014 4.397 -7.034 1.00 0.00 H new ATOM 0 HG SER A 47 9.047 4.242 -8.146 1.00 0.00 H new ATOM 675 N TYR A 48 5.493 6.395 -6.805 1.00 0.00 N ATOM 676 CA TYR A 48 4.478 7.155 -7.515 1.00 0.00 C ATOM 677 C TYR A 48 4.446 8.608 -7.036 1.00 0.00 C ATOM 678 O TYR A 48 4.584 9.532 -7.835 1.00 0.00 O ATOM 679 CB TYR A 48 3.141 6.490 -7.179 1.00 0.00 C ATOM 680 CG TYR A 48 2.923 5.145 -7.875 1.00 0.00 C ATOM 681 CD1 TYR A 48 2.474 5.109 -9.179 1.00 0.00 C ATOM 682 CD2 TYR A 48 3.175 3.969 -7.199 1.00 0.00 C ATOM 683 CE1 TYR A 48 2.268 3.843 -9.835 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.970 2.703 -7.854 1.00 0.00 C ATOM 685 CZ TYR A 48 2.526 2.703 -9.140 1.00 0.00 C ATOM 686 OH TYR A 48 2.332 1.507 -9.759 1.00 0.00 O ATOM 0 H TYR A 48 5.226 5.438 -6.575 1.00 0.00 H new ATOM 0 HA TYR A 48 4.683 7.163 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.081 6.343 -6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.331 7.166 -7.455 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.277 6.030 -9.708 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.526 3.998 -6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.917 3.800 -10.855 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.164 1.775 -7.336 1.00 0.00 H new ATOM 0 HH TYR A 48 3.185 1.180 -10.114 1.00 0.00 H new ATOM 696 N GLY A 49 4.262 8.764 -5.733 1.00 0.00 N ATOM 697 CA GLY A 49 4.210 10.088 -5.138 1.00 0.00 C ATOM 698 C GLY A 49 5.213 10.213 -3.989 1.00 0.00 C ATOM 699 O GLY A 49 6.419 10.091 -4.197 1.00 0.00 O ATOM 0 H GLY A 49 4.147 7.995 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.425 10.840 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.203 10.286 -4.770 1.00 0.00 H new ATOM 703 N THR A 50 4.677 10.454 -2.801 1.00 0.00 N ATOM 704 CA THR A 50 5.510 10.597 -1.619 1.00 0.00 C ATOM 705 C THR A 50 4.739 10.169 -0.369 1.00 0.00 C ATOM 706 O THR A 50 3.521 10.328 -0.301 1.00 0.00 O ATOM 707 CB THR A 50 6.006 12.043 -1.562 1.00 0.00 C ATOM 708 OG1 THR A 50 7.387 11.950 -1.901 1.00 0.00 O ATOM 709 CG2 THR A 50 6.008 12.605 -0.139 1.00 0.00 C ATOM 0 H THR A 50 3.676 10.554 -2.632 1.00 0.00 H new ATOM 0 HA THR A 50 6.380 9.942 -1.666 1.00 0.00 H new ATOM 0 HB THR A 50 5.379 12.668 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.492 11.380 -2.691 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.368 13.634 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.995 12.582 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.662 12.001 0.490 1.00 0.00 H new ATOM 717 N ILE A 51 5.480 9.634 0.590 1.00 0.00 N ATOM 718 CA ILE A 51 4.881 9.182 1.834 1.00 0.00 C ATOM 719 C ILE A 51 4.849 10.342 2.831 1.00 0.00 C ATOM 720 O ILE A 51 5.873 10.692 3.415 1.00 0.00 O ATOM 721 CB ILE A 51 5.607 7.941 2.359 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.534 6.795 1.348 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.070 7.530 3.731 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.115 6.228 1.263 1.00 0.00 C ATOM 0 H ILE A 51 6.490 9.503 0.531 1.00 0.00 H new ATOM 0 HA ILE A 51 3.849 8.874 1.669 1.00 0.00 H new ATOM 0 HB ILE A 51 6.660 8.191 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.847 7.151 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.228 6.006 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.603 6.646 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.217 8.346 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.006 7.305 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.091 5.415 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.815 5.851 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.427 7.014 0.950 1.00 0.00 H new ATOM 736 N VAL A 52 3.662 10.907 2.995 1.00 0.00 N ATOM 737 CA VAL A 52 3.482 12.021 3.910 1.00 0.00 C ATOM 738 C VAL A 52 3.231 11.481 5.320 1.00 0.00 C ATOM 739 O VAL A 52 3.493 12.166 6.307 1.00 0.00 O ATOM 740 CB VAL A 52 2.361 12.934 3.411 1.00 0.00 C ATOM 741 CG1 VAL A 52 2.639 13.413 1.985 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.004 12.233 3.499 1.00 0.00 C ATOM 0 H VAL A 52 2.815 10.614 2.509 1.00 0.00 H new ATOM 0 HA VAL A 52 4.384 12.631 3.951 1.00 0.00 H new ATOM 0 HB VAL A 52 2.328 13.810 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.827 14.060 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.577 13.968 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.711 12.553 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.224 12.904 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.020 11.332 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.800 11.964 4.535 1.00 0.00 H new ATOM 752 N LEU A 53 2.725 10.257 5.369 1.00 0.00 N ATOM 753 CA LEU A 53 2.436 9.618 6.641 1.00 0.00 C ATOM 754 C LEU A 53 1.858 8.224 6.386 1.00 0.00 C ATOM 755 O LEU A 53 1.187 8.000 5.380 1.00 0.00 O ATOM 756 CB LEU A 53 1.533 10.510 7.496 1.00 0.00 C ATOM 757 CG LEU A 53 0.780 9.812 8.630 1.00 0.00 C ATOM 758 CD1 LEU A 53 -0.266 8.841 8.078 1.00 0.00 C ATOM 759 CD2 LEU A 53 1.752 9.122 9.590 1.00 0.00 C ATOM 0 H LEU A 53 2.508 9.691 4.548 1.00 0.00 H new ATOM 0 HA LEU A 53 3.352 9.485 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.143 11.304 7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.803 10.987 6.842 1.00 0.00 H new ATOM 0 HG LEU A 53 0.245 10.570 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.787 8.358 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.984 9.388 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.227 8.084 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.191 8.634 10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.333 8.377 9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.425 9.863 10.022 1.00 0.00 H new ATOM 771 N VAL A 54 2.141 7.322 7.316 1.00 0.00 N ATOM 772 CA VAL A 54 1.659 5.956 7.204 1.00 0.00 C ATOM 773 C VAL A 54 1.120 5.498 8.561 1.00 0.00 C ATOM 774 O VAL A 54 1.623 5.912 9.605 1.00 0.00 O ATOM 775 CB VAL A 54 2.769 5.052 6.666 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.582 4.442 7.809 1.00 0.00 C ATOM 777 CG2 VAL A 54 2.195 3.961 5.759 1.00 0.00 C ATOM 0 H VAL A 54 2.698 7.511 8.150 1.00 0.00 H new ATOM 0 HA VAL A 54 0.837 5.898 6.491 1.00 0.00 H new ATOM 0 HB VAL A 54 3.441 5.667 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.364 3.804 7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.036 5.239 8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.926 3.848 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.005 3.332 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.491 3.351 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.680 4.422 4.916 1.00 0.00 H new ATOM 787 N ARG A 55 0.104 4.650 8.503 1.00 0.00 N ATOM 788 CA ARG A 55 -0.509 4.132 9.714 1.00 0.00 C ATOM 789 C ARG A 55 -0.875 2.657 9.534 1.00 0.00 C ATOM 790 O ARG A 55 -1.821 2.331 8.818 1.00 0.00 O ATOM 791 CB ARG A 55 -1.768 4.922 10.076 1.00 0.00 C ATOM 792 CG ARG A 55 -2.077 4.806 11.570 1.00 0.00 C ATOM 793 CD ARG A 55 -3.562 5.050 11.843 1.00 0.00 C ATOM 794 NE ARG A 55 -3.755 5.483 13.245 1.00 0.00 N ATOM 795 CZ ARG A 55 -3.669 4.664 14.303 1.00 0.00 C ATOM 796 NH1 ARG A 55 -3.393 3.365 14.124 1.00 0.00 N ATOM 797 NH2 ARG A 55 -3.858 5.145 15.539 1.00 0.00 N ATOM 0 H ARG A 55 -0.310 4.309 7.636 1.00 0.00 H new ATOM 0 HA ARG A 55 0.215 4.235 10.522 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.633 5.970 9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.613 4.552 9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.796 3.815 11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.478 5.527 12.126 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.945 5.811 11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.129 4.139 11.654 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.967 6.466 13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.248 2.999 13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.328 2.742 14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.067 6.134 15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.793 4.522 16.344 1.00 0.00 H new ATOM 811 N ILE A 56 -0.107 1.804 10.196 1.00 0.00 N ATOM 812 CA ILE A 56 -0.338 0.372 10.118 1.00 0.00 C ATOM 813 C ILE A 56 -1.553 0.009 10.975 1.00 0.00 C ATOM 814 O ILE A 56 -1.864 0.701 11.943 1.00 0.00 O ATOM 815 CB ILE A 56 0.930 -0.397 10.493 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.807 -0.641 9.263 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.587 -1.698 11.221 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.744 0.542 9.014 1.00 0.00 C ATOM 0 H ILE A 56 0.676 2.078 10.789 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.569 0.079 9.094 1.00 0.00 H new ATOM 0 HB ILE A 56 1.509 0.215 11.184 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.392 -1.550 9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.176 -0.800 8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.506 -2.225 11.476 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.034 -1.470 12.132 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.024 -2.327 10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.356 0.343 8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.155 1.444 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.390 0.683 9.881 1.00 0.00 H new ATOM 830 N ASN A 57 -2.208 -1.076 10.587 1.00 0.00 N ATOM 831 CA ASN A 57 -3.382 -1.539 11.307 1.00 0.00 C ATOM 832 C ASN A 57 -3.267 -3.046 11.546 1.00 0.00 C ATOM 833 O ASN A 57 -2.715 -3.769 10.717 1.00 0.00 O ATOM 834 CB ASN A 57 -4.658 -1.284 10.502 1.00 0.00 C ATOM 835 CG ASN A 57 -5.627 -0.392 11.280 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.763 0.793 11.024 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.293 -1.026 12.242 1.00 0.00 N ATOM 0 H ASN A 57 -1.948 -1.648 9.783 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.436 -0.995 12.250 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.405 -0.812 9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.140 -2.233 10.267 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.965 -0.518 12.817 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.132 -2.020 12.404 1.00 0.00 H new ATOM 844 N GLN A 58 -3.796 -3.475 12.682 1.00 0.00 N ATOM 845 CA GLN A 58 -3.760 -4.882 13.040 1.00 0.00 C ATOM 846 C GLN A 58 -3.696 -5.749 11.781 1.00 0.00 C ATOM 847 O GLN A 58 -2.888 -6.673 11.698 1.00 0.00 O ATOM 848 CB GLN A 58 -4.964 -5.260 13.905 1.00 0.00 C ATOM 849 CG GLN A 58 -4.545 -5.489 15.358 1.00 0.00 C ATOM 850 CD GLN A 58 -5.457 -4.723 16.319 1.00 0.00 C ATOM 851 OE1 GLN A 58 -5.465 -3.504 16.370 1.00 0.00 O ATOM 852 NE2 GLN A 58 -6.222 -5.504 17.077 1.00 0.00 N ATOM 0 H GLN A 58 -4.252 -2.872 13.367 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.861 -5.063 13.629 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.712 -4.469 13.859 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.430 -6.163 13.511 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.582 -6.554 15.587 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.513 -5.168 15.497 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.166 -6.518 16.984 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.865 -5.089 17.751 1.00 0.00 H new ATOM 861 N GLY A 59 -4.559 -5.420 10.830 1.00 0.00 N ATOM 862 CA GLY A 59 -4.611 -6.157 9.579 1.00 0.00 C ATOM 863 C GLY A 59 -4.852 -5.215 8.398 1.00 0.00 C ATOM 864 O GLY A 59 -5.710 -5.476 7.556 1.00 0.00 O ATOM 0 H GLY A 59 -5.228 -4.653 10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.676 -6.698 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.406 -6.901 9.624 1.00 0.00 H new ATOM 868 N GLN A 60 -4.080 -4.138 8.374 1.00 0.00 N ATOM 869 CA GLN A 60 -4.199 -3.156 7.310 1.00 0.00 C ATOM 870 C GLN A 60 -2.996 -2.211 7.324 1.00 0.00 C ATOM 871 O GLN A 60 -2.120 -2.328 8.179 1.00 0.00 O ATOM 872 CB GLN A 60 -5.510 -2.376 7.427 1.00 0.00 C ATOM 873 CG GLN A 60 -6.522 -2.845 6.380 1.00 0.00 C ATOM 874 CD GLN A 60 -7.879 -3.140 7.023 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.530 -2.275 7.584 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.267 -4.408 6.910 1.00 0.00 N ATOM 0 H GLN A 60 -3.370 -3.924 9.074 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.212 -3.683 6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.927 -2.507 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.316 -1.311 7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.638 -2.080 5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.148 -3.740 5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.673 -5.082 6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.158 -4.706 7.306 1.00 0.00 H new ATOM 885 N MET A 61 -2.992 -1.295 6.366 1.00 0.00 N ATOM 886 CA MET A 61 -1.911 -0.330 6.257 1.00 0.00 C ATOM 887 C MET A 61 -2.382 0.945 5.555 1.00 0.00 C ATOM 888 O MET A 61 -2.368 1.023 4.327 1.00 0.00 O ATOM 889 CB MET A 61 -0.752 -0.948 5.472 1.00 0.00 C ATOM 890 CG MET A 61 0.512 -0.095 5.598 1.00 0.00 C ATOM 891 SD MET A 61 1.960 -1.133 5.507 1.00 0.00 S ATOM 892 CE MET A 61 2.092 -1.328 3.737 1.00 0.00 C ATOM 0 H MET A 61 -3.720 -1.201 5.658 1.00 0.00 H new ATOM 0 HA MET A 61 -1.581 -0.067 7.262 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.554 -1.954 5.841 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.028 -1.042 4.422 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.538 0.650 4.803 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.502 0.447 6.543 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.119 -1.582 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.426 -2.125 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.812 -0.396 3.246 1.00 0.00 H new ATOM 902 N LEU A 62 -2.789 1.912 6.363 1.00 0.00 N ATOM 903 CA LEU A 62 -3.264 3.179 5.835 1.00 0.00 C ATOM 904 C LEU A 62 -2.066 4.031 5.411 1.00 0.00 C ATOM 905 O LEU A 62 -1.391 4.621 6.252 1.00 0.00 O ATOM 906 CB LEU A 62 -4.184 3.870 6.844 1.00 0.00 C ATOM 907 CG LEU A 62 -5.376 3.048 7.337 1.00 0.00 C ATOM 908 CD1 LEU A 62 -6.168 2.472 6.161 1.00 0.00 C ATOM 909 CD2 LEU A 62 -4.926 1.960 8.314 1.00 0.00 C ATOM 0 H LEU A 62 -2.800 1.844 7.381 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.872 3.017 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.588 4.163 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.562 4.787 6.392 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.047 3.712 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.010 1.892 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.539 3.286 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.520 1.827 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.793 1.391 8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.223 1.292 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.441 2.421 9.174 1.00 0.00 H new ATOM 921 N VAL A 63 -1.839 4.068 4.106 1.00 0.00 N ATOM 922 CA VAL A 63 -0.735 4.838 3.560 1.00 0.00 C ATOM 923 C VAL A 63 -1.259 6.180 3.045 1.00 0.00 C ATOM 924 O VAL A 63 -2.207 6.221 2.263 1.00 0.00 O ATOM 925 CB VAL A 63 -0.013 4.026 2.483 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.205 4.783 1.949 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.388 2.647 3.012 1.00 0.00 C ATOM 0 H VAL A 63 -2.401 3.577 3.411 1.00 0.00 H new ATOM 0 HA VAL A 63 0.001 5.052 4.335 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.706 3.879 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.700 4.183 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.883 5.730 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.901 4.976 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.899 2.091 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.055 2.765 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.504 2.102 3.321 1.00 0.00 H new ATOM 937 N THR A 64 -0.619 7.245 3.506 1.00 0.00 N ATOM 938 CA THR A 64 -1.009 8.585 3.102 1.00 0.00 C ATOM 939 C THR A 64 0.051 9.194 2.181 1.00 0.00 C ATOM 940 O THR A 64 1.246 8.983 2.379 1.00 0.00 O ATOM 941 CB THR A 64 -1.258 9.407 4.368 1.00 0.00 C ATOM 942 OG1 THR A 64 -2.291 8.696 5.045 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.881 10.772 4.067 1.00 0.00 C ATOM 0 H THR A 64 0.167 7.207 4.155 1.00 0.00 H new ATOM 0 HA THR A 64 -1.931 8.570 2.520 1.00 0.00 H new ATOM 0 HB THR A 64 -0.318 9.547 4.901 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.164 8.989 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.037 11.314 5.000 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.213 11.343 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.838 10.632 3.564 1.00 0.00 H new ATOM 951 N PHE A 65 -0.426 9.938 1.194 1.00 0.00 N ATOM 952 CA PHE A 65 0.465 10.579 0.242 1.00 0.00 C ATOM 953 C PHE A 65 0.291 12.099 0.267 1.00 0.00 C ATOM 954 O PHE A 65 -0.518 12.623 1.031 1.00 0.00 O ATOM 955 CB PHE A 65 0.087 10.058 -1.145 1.00 0.00 C ATOM 956 CG PHE A 65 0.501 8.606 -1.398 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.759 8.323 -1.828 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.391 7.600 -1.193 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.143 6.976 -2.063 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.007 6.253 -1.427 1.00 0.00 C ATOM 961 CZ PHE A 65 1.252 5.969 -1.857 1.00 0.00 C ATOM 0 H PHE A 65 -1.418 10.111 1.033 1.00 0.00 H new ATOM 0 HA PHE A 65 1.502 10.354 0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.992 10.145 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.550 10.694 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.467 9.122 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.391 7.825 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.142 6.751 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.715 5.454 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.544 4.945 -2.035 1.00 0.00 H new ATOM 971 N ALA A 66 1.065 12.765 -0.578 1.00 0.00 N ATOM 972 CA ALA A 66 1.008 14.214 -0.662 1.00 0.00 C ATOM 973 C ALA A 66 -0.015 14.618 -1.727 1.00 0.00 C ATOM 974 O ALA A 66 -0.911 15.417 -1.460 1.00 0.00 O ATOM 975 CB ALA A 66 2.404 14.765 -0.957 1.00 0.00 C ATOM 0 H ALA A 66 1.735 12.327 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 66 0.684 14.641 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.360 15.852 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.086 14.475 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.762 14.361 -1.904 1.00 0.00 H new ATOM 981 N ASP A 67 0.154 14.048 -2.910 1.00 0.00 N ATOM 982 CA ASP A 67 -0.743 14.339 -4.016 1.00 0.00 C ATOM 983 C ASP A 67 -1.824 13.258 -4.088 1.00 0.00 C ATOM 984 O ASP A 67 -1.630 12.148 -3.595 1.00 0.00 O ATOM 985 CB ASP A 67 0.009 14.345 -5.348 1.00 0.00 C ATOM 986 CG ASP A 67 0.394 15.732 -5.866 1.00 0.00 C ATOM 987 OD1 ASP A 67 1.212 16.386 -5.183 1.00 0.00 O ATOM 988 OD2 ASP A 67 -0.137 16.108 -6.933 1.00 0.00 O ATOM 0 H ASP A 67 0.899 13.386 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.181 15.322 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.916 13.750 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.608 13.851 -6.099 1.00 0.00 H new ATOM 993 N SER A 68 -2.938 13.620 -4.707 1.00 0.00 N ATOM 994 CA SER A 68 -4.049 12.695 -4.850 1.00 0.00 C ATOM 995 C SER A 68 -3.872 11.857 -6.117 1.00 0.00 C ATOM 996 O SER A 68 -4.091 10.647 -6.101 1.00 0.00 O ATOM 997 CB SER A 68 -5.385 13.441 -4.889 1.00 0.00 C ATOM 998 OG SER A 68 -5.523 14.227 -6.069 1.00 0.00 O ATOM 0 H SER A 68 -3.095 14.541 -5.115 1.00 0.00 H new ATOM 0 HA SER A 68 -4.058 12.034 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.203 12.723 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.467 14.085 -4.013 1.00 0.00 H new ATOM 0 HG SER A 68 -6.206 14.915 -5.926 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.478 12.534 -7.186 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.269 11.866 -8.460 1.00 0.00 C ATOM 1006 C HIS A 69 -2.443 10.597 -8.244 1.00 0.00 C ATOM 1007 O HIS A 69 -2.734 9.556 -8.830 1.00 0.00 O ATOM 1008 CB HIS A 69 -2.638 12.820 -9.476 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.186 14.226 -9.421 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.426 15.340 -9.733 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -4.426 14.687 -9.090 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.184 16.417 -9.591 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -4.423 16.010 -9.192 1.00 0.00 N ATOM 0 H HIS A 69 -3.298 13.538 -7.196 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.229 11.565 -8.880 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.562 12.854 -9.308 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.791 12.420 -10.478 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.268 14.078 -8.795 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.875 17.438 -9.761 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.217 16.622 -9.003 1.00 0.00 H new ATOM 1021 N SER A 70 -1.428 10.726 -7.402 1.00 0.00 N ATOM 1022 CA SER A 70 -0.557 9.603 -7.102 1.00 0.00 C ATOM 1023 C SER A 70 -1.377 8.440 -6.541 1.00 0.00 C ATOM 1024 O SER A 70 -1.572 7.430 -7.216 1.00 0.00 O ATOM 1025 CB SER A 70 0.540 10.004 -6.114 1.00 0.00 C ATOM 1026 OG SER A 70 0.972 8.903 -5.319 1.00 0.00 O ATOM 0 H SER A 70 -1.190 11.592 -6.918 1.00 0.00 H new ATOM 0 HA SER A 70 -0.076 9.287 -8.028 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.390 10.411 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.170 10.797 -5.464 1.00 0.00 H new ATOM 0 HG SER A 70 1.068 9.190 -4.387 1.00 0.00 H new ATOM 1032 N ALA A 71 -1.836 8.620 -5.311 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.631 7.599 -4.651 1.00 0.00 C ATOM 1034 C ALA A 71 -3.572 6.953 -5.671 1.00 0.00 C ATOM 1035 O ALA A 71 -3.797 5.744 -5.635 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.385 8.220 -3.474 1.00 0.00 C ATOM 0 H ALA A 71 -1.672 9.459 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.990 6.814 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.981 7.454 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.671 8.639 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.041 9.011 -3.838 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.096 7.788 -6.556 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.007 7.314 -7.584 1.00 0.00 C ATOM 1044 C LEU A 72 -4.267 6.345 -8.508 1.00 0.00 C ATOM 1045 O LEU A 72 -4.700 5.210 -8.698 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.650 8.493 -8.316 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.725 8.376 -9.840 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.659 7.238 -10.257 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.129 9.710 -10.473 1.00 0.00 C ATOM 0 H LEU A 72 -3.907 8.790 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.832 6.760 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.661 8.626 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.093 9.397 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.731 8.130 -10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.694 7.176 -11.345 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.288 6.296 -9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.660 7.430 -9.872 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.175 9.600 -11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.107 10.010 -10.097 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.393 10.472 -10.217 1.00 0.00 H new ATOM 1061 N SER A 73 -3.164 6.830 -9.059 1.00 0.00 N ATOM 1062 CA SER A 73 -2.359 6.022 -9.959 1.00 0.00 C ATOM 1063 C SER A 73 -2.033 4.678 -9.305 1.00 0.00 C ATOM 1064 O SER A 73 -2.336 3.623 -9.860 1.00 0.00 O ATOM 1065 CB SER A 73 -1.071 6.749 -10.350 1.00 0.00 C ATOM 1066 OG SER A 73 -0.973 6.943 -11.758 1.00 0.00 O ATOM 0 H SER A 73 -2.809 7.773 -8.899 1.00 0.00 H new ATOM 0 HA SER A 73 -2.934 5.846 -10.868 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.034 7.716 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.212 6.176 -10.003 1.00 0.00 H new ATOM 0 HG SER A 73 -0.138 7.412 -11.966 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.418 4.759 -8.134 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.047 3.563 -7.398 1.00 0.00 C ATOM 1074 C VAL A 74 -2.309 2.765 -7.061 1.00 0.00 C ATOM 1075 O VAL A 74 -2.272 1.537 -6.995 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.230 3.941 -6.161 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -1.000 4.922 -5.274 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.180 2.695 -5.373 1.00 0.00 C ATOM 0 H VAL A 74 -1.167 5.636 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.410 2.922 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 74 0.679 4.438 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.397 5.174 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.219 5.828 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.934 4.463 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.760 2.992 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.712 2.158 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.785 2.047 -6.007 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.395 3.496 -6.855 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.665 2.872 -6.526 1.00 0.00 C ATOM 1090 C LEU A 75 -5.095 1.962 -7.679 1.00 0.00 C ATOM 1091 O LEU A 75 -5.930 1.077 -7.497 1.00 0.00 O ATOM 1092 CB LEU A 75 -5.704 3.933 -6.160 1.00 0.00 C ATOM 1093 CG LEU A 75 -5.823 4.270 -4.672 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.470 5.641 -4.470 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.571 3.167 -3.919 1.00 0.00 C ATOM 0 H LEU A 75 -3.421 4.514 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.562 2.241 -5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.466 4.848 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.678 3.597 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.818 4.323 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.542 5.856 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.861 6.405 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.468 5.641 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.642 3.431 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.573 3.058 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.031 2.226 -4.022 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.507 2.212 -8.839 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.819 1.427 -10.021 1.00 0.00 C ATOM 1109 C ASP A 76 -3.831 0.263 -10.131 1.00 0.00 C ATOM 1110 O ASP A 76 -4.235 -0.898 -10.163 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.698 2.271 -11.291 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.875 2.153 -12.261 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -5.868 1.182 -13.047 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.757 3.037 -12.193 1.00 0.00 O ATOM 0 H ASP A 76 -3.816 2.948 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.843 1.066 -9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.586 3.317 -11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.786 1.984 -11.814 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.555 0.616 -10.185 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.506 -0.384 -10.290 1.00 0.00 C ATOM 1121 C VAL A 77 -1.441 -1.188 -8.990 1.00 0.00 C ATOM 1122 O VAL A 77 -0.748 -2.201 -8.916 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.177 0.286 -10.645 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.999 -0.657 -10.387 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -0.180 0.776 -12.095 1.00 0.00 C ATOM 0 H VAL A 77 -2.224 1.580 -10.158 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.727 -1.085 -11.095 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.057 1.155 -9.998 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.931 -0.156 -10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.019 -0.934 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.887 -1.554 -10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.776 1.248 -12.321 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.335 -0.070 -12.765 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.984 1.499 -12.233 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.174 -0.706 -7.997 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.208 -1.367 -6.703 1.00 0.00 C ATOM 1137 C ASP A 78 -2.208 -2.883 -6.910 1.00 0.00 C ATOM 1138 O ASP A 78 -1.530 -3.612 -6.187 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.475 -0.996 -5.929 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.788 -1.329 -6.639 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.867 -1.039 -7.852 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.684 -1.867 -5.952 1.00 0.00 O ATOM 0 H ASP A 78 -2.749 0.134 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.333 -1.048 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.459 -1.510 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.454 0.073 -5.719 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.976 -3.313 -7.900 1.00 0.00 N ATOM 1148 CA GLY A 79 -3.073 -4.730 -8.211 1.00 0.00 C ATOM 1149 C GLY A 79 -1.707 -5.409 -8.103 1.00 0.00 C ATOM 1150 O GLY A 79 -1.624 -6.605 -7.825 1.00 0.00 O ATOM 0 H GLY A 79 -3.537 -2.706 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.776 -5.208 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.469 -4.859 -9.219 1.00 0.00 H new ATOM 1154 N MET A 80 -0.668 -4.618 -8.329 1.00 0.00 N ATOM 1155 CA MET A 80 0.690 -5.128 -8.260 1.00 0.00 C ATOM 1156 C MET A 80 0.881 -6.017 -7.030 1.00 0.00 C ATOM 1157 O MET A 80 0.022 -6.058 -6.150 1.00 0.00 O ATOM 1158 CB MET A 80 1.673 -3.957 -8.202 1.00 0.00 C ATOM 1159 CG MET A 80 1.682 -3.318 -6.812 1.00 0.00 C ATOM 1160 SD MET A 80 1.103 -1.633 -6.911 1.00 0.00 S ATOM 1161 CE MET A 80 2.394 -0.807 -5.997 1.00 0.00 C ATOM 0 H MET A 80 -0.740 -3.627 -8.560 1.00 0.00 H new ATOM 0 HA MET A 80 0.878 -5.728 -9.150 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.675 -4.306 -8.452 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.400 -3.211 -8.948 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.047 -3.890 -6.136 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.690 -3.341 -6.399 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.169 0.257 -5.931 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.456 -1.228 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.347 -0.945 -6.508 1.00 0.00 H new ATOM 1171 N LYS A 81 2.012 -6.707 -7.007 1.00 0.00 N ATOM 1172 CA LYS A 81 2.326 -7.592 -5.899 1.00 0.00 C ATOM 1173 C LYS A 81 3.790 -7.399 -5.496 1.00 0.00 C ATOM 1174 O LYS A 81 4.596 -6.913 -6.288 1.00 0.00 O ATOM 1175 CB LYS A 81 1.971 -9.038 -6.251 1.00 0.00 C ATOM 1176 CG LYS A 81 2.913 -9.588 -7.325 1.00 0.00 C ATOM 1177 CD LYS A 81 2.395 -9.262 -8.727 1.00 0.00 C ATOM 1178 CE LYS A 81 3.209 -9.995 -9.796 1.00 0.00 C ATOM 1179 NZ LYS A 81 2.901 -9.458 -11.140 1.00 0.00 N ATOM 0 H LYS A 81 2.722 -6.671 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 81 1.720 -7.342 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.031 -9.659 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.941 -9.088 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.908 -9.163 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.010 -10.668 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.345 -9.545 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.449 -8.187 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.274 -9.886 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.986 -11.061 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.462 -9.966 -11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.888 -9.584 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.136 -8.445 -11.172 1.00 0.00 H new ATOM 1193 N VAL A 82 4.088 -7.789 -4.265 1.00 0.00 N ATOM 1194 CA VAL A 82 5.440 -7.665 -3.748 1.00 0.00 C ATOM 1195 C VAL A 82 5.934 -9.038 -3.288 1.00 0.00 C ATOM 1196 O VAL A 82 5.376 -9.623 -2.361 1.00 0.00 O ATOM 1197 CB VAL A 82 5.481 -6.612 -2.638 1.00 0.00 C ATOM 1198 CG1 VAL A 82 6.908 -6.413 -2.124 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.881 -5.288 -3.116 1.00 0.00 C ATOM 0 H VAL A 82 3.416 -8.191 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 82 6.118 -7.321 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 82 4.874 -6.975 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.909 -5.660 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.286 -7.355 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.547 -6.082 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.922 -4.557 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.449 -4.918 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.843 -5.444 -3.411 1.00 0.00 H new ATOM 1209 N LYS A 83 6.975 -9.511 -3.956 1.00 0.00 N ATOM 1210 CA LYS A 83 7.550 -10.804 -3.627 1.00 0.00 C ATOM 1211 C LYS A 83 6.468 -11.881 -3.734 1.00 0.00 C ATOM 1212 O LYS A 83 6.491 -12.864 -2.994 1.00 0.00 O ATOM 1213 CB LYS A 83 8.235 -10.754 -2.260 1.00 0.00 C ATOM 1214 CG LYS A 83 9.723 -10.429 -2.404 1.00 0.00 C ATOM 1215 CD LYS A 83 10.133 -9.304 -1.451 1.00 0.00 C ATOM 1216 CE LYS A 83 10.817 -9.865 -0.203 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.444 -8.776 0.579 1.00 0.00 N ATOM 0 H LYS A 83 7.435 -9.022 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 83 8.332 -11.065 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.754 -10.002 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.116 -11.712 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.315 -11.320 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.937 -10.136 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.808 -8.617 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.253 -8.730 -1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.087 -10.390 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.573 -10.595 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.904 -9.175 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.155 -8.293 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.715 -8.094 0.872 1.00 0.00 H new ATOM 1231 N GLY A 84 5.547 -11.659 -4.660 1.00 0.00 N ATOM 1232 CA GLY A 84 4.458 -12.598 -4.872 1.00 0.00 C ATOM 1233 C GLY A 84 3.235 -12.218 -4.035 1.00 0.00 C ATOM 1234 O GLY A 84 2.118 -12.636 -4.336 1.00 0.00 O ATOM 0 H GLY A 84 5.532 -10.843 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.189 -12.616 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.784 -13.604 -4.609 1.00 0.00 H new ATOM 1238 N ARG A 85 3.488 -11.430 -3.000 1.00 0.00 N ATOM 1239 CA ARG A 85 2.422 -10.990 -2.117 1.00 0.00 C ATOM 1240 C ARG A 85 1.628 -9.855 -2.768 1.00 0.00 C ATOM 1241 O ARG A 85 2.024 -8.693 -2.694 1.00 0.00 O ATOM 1242 CB ARG A 85 2.980 -10.508 -0.776 1.00 0.00 C ATOM 1243 CG ARG A 85 2.322 -11.248 0.390 1.00 0.00 C ATOM 1244 CD ARG A 85 2.990 -12.604 0.627 1.00 0.00 C ATOM 1245 NE ARG A 85 1.961 -13.645 0.841 1.00 0.00 N ATOM 1246 CZ ARG A 85 2.193 -14.962 0.745 1.00 0.00 C ATOM 1247 NH1 ARG A 85 3.419 -15.405 0.437 1.00 0.00 N ATOM 1248 NH2 ARG A 85 1.198 -15.834 0.956 1.00 0.00 N ATOM 0 H ARG A 85 4.416 -11.085 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 85 1.766 -11.842 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.058 -10.665 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.812 -9.436 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.390 -10.643 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.262 -11.392 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.612 -12.867 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.648 -12.548 1.494 1.00 0.00 H new ATOM 0 HE ARG A 85 1.016 -13.342 1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.176 -14.740 0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.596 -16.407 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.264 -15.496 1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.374 -16.836 0.883 1.00 0.00 H new ATOM 1262 N ALA A 86 0.521 -10.232 -3.392 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.332 -9.261 -4.055 1.00 0.00 C ATOM 1264 C ALA A 86 -0.917 -8.306 -3.013 1.00 0.00 C ATOM 1265 O ALA A 86 -1.539 -8.743 -2.046 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.416 -9.992 -4.850 1.00 0.00 C ATOM 0 H ALA A 86 0.196 -11.197 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 86 0.244 -8.664 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.056 -9.263 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.949 -10.634 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.016 -10.600 -4.173 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.696 -7.020 -3.245 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.194 -6.000 -2.338 1.00 0.00 C ATOM 1274 C VAL A 87 -2.505 -5.432 -2.886 1.00 0.00 C ATOM 1275 O VAL A 87 -2.666 -5.292 -4.098 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.124 -4.929 -2.118 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.988 -5.444 -1.202 1.00 0.00 C ATOM 1278 CG2 VAL A 87 0.446 -4.441 -3.452 1.00 0.00 C ATOM 0 H VAL A 87 -0.179 -6.661 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.410 -6.431 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.597 -4.080 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.735 -4.663 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.565 -5.719 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.457 -6.318 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.204 -3.680 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.895 -5.279 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.355 -4.015 -4.056 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.407 -5.120 -1.968 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.698 -4.570 -2.344 1.00 0.00 C ATOM 1290 C LYS A 88 -4.875 -3.200 -1.687 1.00 0.00 C ATOM 1291 O LYS A 88 -5.205 -3.112 -0.505 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.818 -5.559 -2.015 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.992 -5.401 -2.983 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.864 -6.658 -2.998 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.147 -6.426 -3.799 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.960 -7.662 -3.844 1.00 0.00 N ATOM 0 H LYS A 88 -3.270 -5.238 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.747 -4.416 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.435 -6.578 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.161 -5.399 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.594 -4.540 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.616 -5.203 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.305 -7.487 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.115 -6.943 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.725 -5.620 -3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.898 -6.110 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.827 -7.488 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.412 -8.422 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.213 -7.947 -2.876 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.649 -2.164 -2.482 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.780 -0.802 -1.992 1.00 0.00 C ATOM 1312 C ILE A 89 -6.211 -0.316 -2.227 1.00 0.00 C ATOM 1313 O ILE A 89 -6.710 -0.362 -3.350 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.713 0.097 -2.620 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.309 -0.350 -2.211 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.968 1.568 -2.282 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.659 -1.192 -3.311 1.00 0.00 C ATOM 0 H ILE A 89 -4.376 -2.240 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.603 -0.764 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.778 -0.001 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.691 0.524 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.362 -0.929 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.196 2.186 -2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.945 1.865 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.946 1.702 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.661 -1.497 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.267 -2.077 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.585 -0.602 -4.225 1.00 0.00 H new ATOM 1329 N SER A 90 -6.832 0.140 -1.149 1.00 0.00 N ATOM 1330 CA SER A 90 -8.196 0.635 -1.223 1.00 0.00 C ATOM 1331 C SER A 90 -8.237 2.115 -0.837 1.00 0.00 C ATOM 1332 O SER A 90 -7.195 2.743 -0.660 1.00 0.00 O ATOM 1333 CB SER A 90 -9.126 -0.176 -0.319 1.00 0.00 C ATOM 1334 OG SER A 90 -10.204 -0.759 -1.046 1.00 0.00 O ATOM 0 H SER A 90 -6.415 0.177 -0.219 1.00 0.00 H new ATOM 0 HA SER A 90 -8.545 0.524 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.556 -0.962 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.524 0.470 0.464 1.00 0.00 H new ATOM 0 HG SER A 90 -10.773 -1.270 -0.433 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.453 2.628 -0.718 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.644 4.023 -0.356 1.00 0.00 C ATOM 1342 C GLY A 91 -10.636 4.158 0.801 1.00 0.00 C ATOM 1343 O GLY A 91 -11.771 3.695 0.707 1.00 0.00 O ATOM 0 H GLY A 91 -10.315 2.103 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.688 4.463 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.009 4.580 -1.219 1.00 0.00 H new ATOM 1347 N PRO A 92 -10.158 4.812 1.894 1.00 0.00 N ATOM 1348 CA PRO A 92 -10.990 5.014 3.068 1.00 0.00 C ATOM 1349 C PRO A 92 -12.028 6.111 2.822 1.00 0.00 C ATOM 1350 O PRO A 92 -11.887 7.227 3.320 1.00 0.00 O ATOM 1351 CB PRO A 92 -10.018 5.355 4.185 1.00 0.00 C ATOM 1352 CG PRO A 92 -8.731 5.787 3.501 1.00 0.00 C ATOM 1353 CD PRO A 92 -8.819 5.373 2.041 1.00 0.00 C ATOM 0 HA PRO A 92 -11.577 4.132 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.412 6.152 4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.847 4.493 4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.597 6.866 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.869 5.321 3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.672 6.226 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.053 4.639 1.791 1.00 0.00 H new ATOM 1361 N SER A 93 -13.048 5.755 2.055 1.00 0.00 N ATOM 1362 CA SER A 93 -14.109 6.696 1.737 1.00 0.00 C ATOM 1363 C SER A 93 -15.310 6.459 2.655 1.00 0.00 C ATOM 1364 O SER A 93 -15.645 5.316 2.963 1.00 0.00 O ATOM 1365 CB SER A 93 -14.530 6.576 0.271 1.00 0.00 C ATOM 1366 OG SER A 93 -13.457 6.875 -0.618 1.00 0.00 O ATOM 0 H SER A 93 -13.162 4.828 1.644 1.00 0.00 H new ATOM 0 HA SER A 93 -13.731 7.706 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.890 5.565 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.362 7.253 0.076 1.00 0.00 H new ATOM 0 HG SER A 93 -13.765 6.786 -1.544 1.00 0.00 H new ATOM 1372 N SER A 94 -15.926 7.558 3.066 1.00 0.00 N ATOM 1373 CA SER A 94 -17.082 7.484 3.942 1.00 0.00 C ATOM 1374 C SER A 94 -17.857 8.803 3.897 1.00 0.00 C ATOM 1375 O SER A 94 -19.085 8.803 3.814 1.00 0.00 O ATOM 1376 CB SER A 94 -16.666 7.162 5.378 1.00 0.00 C ATOM 1377 OG SER A 94 -15.806 8.160 5.922 1.00 0.00 O ATOM 0 H SER A 94 -15.646 8.504 2.808 1.00 0.00 H new ATOM 0 HA SER A 94 -17.726 6.678 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.556 7.071 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.161 6.196 5.401 1.00 0.00 H new ATOM 0 HG SER A 94 -15.564 7.918 6.841 1.00 0.00 H new ATOM 1383 N GLY A 95 -17.109 9.894 3.955 1.00 0.00 N ATOM 1384 CA GLY A 95 -17.710 11.217 3.922 1.00 0.00 C ATOM 1385 C GLY A 95 -18.062 11.694 5.332 1.00 0.00 C ATOM 1386 O GLY A 95 -17.386 11.341 6.297 1.00 0.00 O ATOM 0 H GLY A 95 -16.091 9.890 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.021 11.922 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.609 11.197 3.306 1.00 0.00 H new TER 1390 GLY A 95