USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 31 CYS SG : rot -171:sc= 0.466 USER MOD Set 1.2: A 33 HIS : no HD1:sc= 0 X(o=0.47,f=0.42) USER MOD Set 2.1: A 5 TYR OH : rot 80:sc= 0.2 USER MOD Set 2.2: A 34 CYS SG : rot 105:sc= 0.356 USER MOD Single : A 6 SER OG : rot 180:sc= 0.144 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 150:sc= 0.473 USER MOD Single : A 35 GLN : amide:sc= 0.83 K(o=0.83,f=-0.029) USER MOD Single : A 38 GLN : amide:sc= 0.0202 K(o=0.02,f=-1.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 53 HIS : no HE2:sc= -0.0964 K(o=-0.096,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 69 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.26) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -170:sc=-0.00749 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 103:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.221 -2.442 6.557 1.00 0.00 N ATOM 70 CA TYR A 5 8.490 -3.502 5.857 1.00 0.00 C ATOM 71 C TYR A 5 8.462 -4.856 6.591 1.00 0.00 C ATOM 72 O TYR A 5 9.288 -5.115 7.468 1.00 0.00 O ATOM 73 CB TYR A 5 9.103 -3.680 4.458 1.00 0.00 C ATOM 74 CG TYR A 5 8.569 -2.713 3.429 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.906 -1.346 3.477 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.691 -3.193 2.444 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.383 -0.462 2.516 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.168 -2.312 1.480 1.00 0.00 C ATOM 79 CZ TYR A 5 7.547 -0.948 1.487 1.00 0.00 C ATOM 80 OH TYR A 5 7.083 -0.101 0.530 1.00 0.00 O ATOM 0 HA TYR A 5 7.450 -3.181 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.184 -3.561 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.916 -4.698 4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.564 -0.978 4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.417 -4.238 2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.621 0.590 2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.477 -2.676 0.734 1.00 0.00 H new ATOM 0 HH TYR A 5 7.779 0.043 -0.145 1.00 0.00 H new ATOM 89 N SER A 6 7.521 -5.728 6.206 1.00 0.00 N ATOM 90 CA SER A 6 7.391 -7.071 6.790 1.00 0.00 C ATOM 91 C SER A 6 7.235 -8.206 5.765 1.00 0.00 C ATOM 92 O SER A 6 6.469 -8.108 4.802 1.00 0.00 O ATOM 93 CB SER A 6 6.193 -7.112 7.745 1.00 0.00 C ATOM 94 OG SER A 6 6.131 -8.359 8.420 1.00 0.00 O ATOM 0 H SER A 6 6.830 -5.524 5.484 1.00 0.00 H new ATOM 0 HA SER A 6 8.332 -7.247 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.273 -6.303 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.271 -6.949 7.187 1.00 0.00 H new ATOM 0 HG SER A 6 5.361 -8.365 9.026 1.00 0.00 H new ATOM 99 N ALA A 7 7.928 -9.325 5.996 1.00 0.00 N ATOM 100 CA ALA A 7 7.781 -10.570 5.232 1.00 0.00 C ATOM 101 C ALA A 7 6.529 -11.382 5.628 1.00 0.00 C ATOM 102 O ALA A 7 6.119 -12.277 4.889 1.00 0.00 O ATOM 103 CB ALA A 7 9.070 -11.380 5.441 1.00 0.00 C ATOM 0 H ALA A 7 8.625 -9.393 6.738 1.00 0.00 H new ATOM 0 HA ALA A 7 7.633 -10.333 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.004 -12.317 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.923 -10.805 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.198 -11.592 6.502 1.00 0.00 H new ATOM 109 N GLU A 8 5.913 -11.082 6.778 1.00 0.00 N ATOM 110 CA GLU A 8 4.839 -11.876 7.394 1.00 0.00 C ATOM 111 C GLU A 8 3.439 -11.500 6.858 1.00 0.00 C ATOM 112 O GLU A 8 2.457 -11.441 7.603 1.00 0.00 O ATOM 113 CB GLU A 8 4.929 -11.781 8.933 1.00 0.00 C ATOM 114 CG GLU A 8 6.274 -12.283 9.473 1.00 0.00 C ATOM 115 CD GLU A 8 6.272 -12.334 11.010 1.00 0.00 C ATOM 116 OE1 GLU A 8 5.873 -13.376 11.574 1.00 0.00 O ATOM 117 OE2 GLU A 8 6.671 -11.339 11.658 1.00 0.00 O ATOM 0 H GLU A 8 6.155 -10.255 7.324 1.00 0.00 H new ATOM 0 HA GLU A 8 4.984 -12.918 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.781 -10.745 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.122 -12.363 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.481 -13.276 9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.074 -11.628 9.129 1.00 0.00 H new ATOM 122 N ALA A 9 3.337 -11.226 5.555 1.00 0.00 N ATOM 123 CA ALA A 9 2.084 -10.901 4.881 1.00 0.00 C ATOM 124 C ALA A 9 1.119 -12.107 4.772 1.00 0.00 C ATOM 125 O ALA A 9 1.578 -13.258 4.753 1.00 0.00 O ATOM 126 CB ALA A 9 2.401 -10.325 3.495 1.00 0.00 C ATOM 0 H ALA A 9 4.142 -11.225 4.929 1.00 0.00 H new ATOM 0 HA ALA A 9 1.561 -10.161 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.471 -10.078 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.005 -9.424 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.952 -11.063 2.912 1.00 0.00 H new ATOM 132 N PRO A 10 -0.202 -11.855 4.651 1.00 0.00 N ATOM 133 CA PRO A 10 -1.218 -12.886 4.452 1.00 0.00 C ATOM 134 C PRO A 10 -1.148 -13.497 3.053 1.00 0.00 C ATOM 135 O PRO A 10 -0.576 -12.922 2.124 1.00 0.00 O ATOM 136 CB PRO A 10 -2.559 -12.163 4.659 1.00 0.00 C ATOM 137 CG PRO A 10 -2.250 -10.742 4.201 1.00 0.00 C ATOM 138 CD PRO A 10 -0.841 -10.546 4.734 1.00 0.00 C ATOM 0 HA PRO A 10 -1.078 -13.717 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.357 -12.614 4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.878 -12.192 5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.295 -10.643 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.949 -10.017 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.298 -9.807 4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.858 -10.183 5.762 1.00 0.00 H new ATOM 143 N ALA A 11 -1.800 -14.650 2.891 1.00 0.00 N ATOM 144 CA ALA A 11 -2.181 -15.178 1.576 1.00 0.00 C ATOM 145 C ALA A 11 -3.397 -14.404 1.030 1.00 0.00 C ATOM 146 O ALA A 11 -4.232 -13.946 1.810 1.00 0.00 O ATOM 147 CB ALA A 11 -2.485 -16.675 1.714 1.00 0.00 C ATOM 0 H ALA A 11 -2.080 -15.247 3.669 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.364 -15.050 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.770 -17.080 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.598 -17.194 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.303 -16.817 2.420 1.00 0.00 H new ATOM 153 N ARG A 12 -3.550 -14.296 -0.299 1.00 0.00 N ATOM 154 CA ARG A 12 -4.616 -13.475 -0.904 1.00 0.00 C ATOM 155 C ARG A 12 -6.037 -13.965 -0.532 1.00 0.00 C ATOM 156 O ARG A 12 -6.963 -13.163 -0.432 1.00 0.00 O ATOM 157 CB ARG A 12 -4.415 -13.393 -2.438 1.00 0.00 C ATOM 158 CG ARG A 12 -4.600 -11.979 -3.021 1.00 0.00 C ATOM 159 CD ARG A 12 -5.973 -11.365 -2.712 1.00 0.00 C ATOM 160 NE ARG A 12 -6.191 -10.101 -3.430 1.00 0.00 N ATOM 161 CZ ARG A 12 -7.308 -9.387 -3.398 1.00 0.00 C ATOM 162 NH1 ARG A 12 -8.329 -9.719 -2.627 1.00 0.00 N ATOM 163 NH2 ARG A 12 -7.408 -8.316 -4.154 1.00 0.00 N ATOM 0 H ARG A 12 -2.950 -14.766 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.536 -12.471 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.413 -13.747 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.119 -14.069 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.822 -11.327 -2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.463 -12.019 -4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.755 -12.074 -2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.058 -11.191 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.422 -9.745 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.272 -10.546 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.174 -9.148 -2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.632 -8.043 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.262 -7.759 -4.138 1.00 0.00 H new ATOM 174 N ASP A 13 -6.211 -15.262 -0.270 1.00 0.00 N ATOM 175 CA ASP A 13 -7.476 -15.842 0.203 1.00 0.00 C ATOM 176 C ASP A 13 -7.790 -15.461 1.665 1.00 0.00 C ATOM 177 O ASP A 13 -8.937 -15.160 1.996 1.00 0.00 O ATOM 178 CB ASP A 13 -7.403 -17.363 0.032 1.00 0.00 C ATOM 179 CG ASP A 13 -8.749 -18.051 0.306 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.625 -18.013 -0.589 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.935 -18.603 1.415 1.00 0.00 O ATOM 0 H ASP A 13 -5.468 -15.952 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.293 -15.435 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.079 -17.596 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.649 -17.766 0.708 1.00 0.00 H new ATOM 185 N GLU A 14 -6.771 -15.422 2.528 1.00 0.00 N ATOM 186 CA GLU A 14 -6.890 -15.000 3.927 1.00 0.00 C ATOM 187 C GLU A 14 -7.094 -13.476 4.051 1.00 0.00 C ATOM 188 O GLU A 14 -7.843 -13.011 4.906 1.00 0.00 O ATOM 189 CB GLU A 14 -5.649 -15.472 4.700 1.00 0.00 C ATOM 190 CG GLU A 14 -5.742 -15.213 6.211 1.00 0.00 C ATOM 191 CD GLU A 14 -4.548 -15.836 6.946 1.00 0.00 C ATOM 192 OE1 GLU A 14 -3.422 -15.301 6.837 1.00 0.00 O ATOM 193 OE2 GLU A 14 -4.730 -16.868 7.638 1.00 0.00 O ATOM 0 H GLU A 14 -5.821 -15.688 2.269 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.777 -15.461 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.507 -16.539 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.768 -14.966 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.771 -14.140 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.671 -15.630 6.599 1.00 0.00 H new ATOM 198 N LEU A 15 -6.483 -12.709 3.146 1.00 0.00 N ATOM 199 CA LEU A 15 -6.687 -11.272 2.967 1.00 0.00 C ATOM 200 C LEU A 15 -8.154 -10.973 2.621 1.00 0.00 C ATOM 201 O LEU A 15 -8.731 -10.043 3.172 1.00 0.00 O ATOM 202 CB LEU A 15 -5.683 -10.814 1.893 1.00 0.00 C ATOM 203 CG LEU A 15 -5.596 -9.300 1.602 1.00 0.00 C ATOM 204 CD1 LEU A 15 -4.239 -9.032 0.937 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.699 -8.792 0.661 1.00 0.00 C ATOM 0 H LEU A 15 -5.802 -13.091 2.489 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.500 -10.711 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.692 -11.158 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.931 -11.323 0.961 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.717 -8.775 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.145 -7.968 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.438 -9.336 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.169 -9.601 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.576 -7.721 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.630 -9.312 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.675 -8.982 1.108 1.00 0.00 H new ATOM 216 N ASP A 16 -8.792 -11.793 1.782 1.00 0.00 N ATOM 217 CA ASP A 16 -10.195 -11.645 1.371 1.00 0.00 C ATOM 218 C ASP A 16 -11.194 -11.777 2.545 1.00 0.00 C ATOM 219 O ASP A 16 -12.361 -11.398 2.399 1.00 0.00 O ATOM 220 CB ASP A 16 -10.502 -12.660 0.258 1.00 0.00 C ATOM 221 CG ASP A 16 -11.765 -12.316 -0.542 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.763 -11.276 -1.242 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.738 -13.104 -0.535 1.00 0.00 O ATOM 0 H ASP A 16 -8.337 -12.601 1.357 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.326 -10.631 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.652 -12.712 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.618 -13.650 0.700 1.00 0.00 H new ATOM 227 N ARG A 17 -10.743 -12.269 3.712 1.00 0.00 N ATOM 228 CA ARG A 17 -11.532 -12.300 4.950 1.00 0.00 C ATOM 229 C ARG A 17 -11.594 -10.933 5.660 1.00 0.00 C ATOM 230 O ARG A 17 -12.468 -10.757 6.517 1.00 0.00 O ATOM 231 CB ARG A 17 -10.976 -13.350 5.935 1.00 0.00 C ATOM 232 CG ARG A 17 -10.838 -14.781 5.391 1.00 0.00 C ATOM 233 CD ARG A 17 -12.164 -15.370 4.887 1.00 0.00 C ATOM 234 NE ARG A 17 -12.140 -16.848 4.849 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.461 -17.628 4.008 1.00 0.00 C ATOM 236 NH1 ARG A 17 -10.668 -17.153 3.075 1.00 0.00 N ATOM 237 NH2 ARG A 17 -11.567 -18.934 4.099 1.00 0.00 N ATOM 0 H ARG A 17 -9.808 -12.661 3.820 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.544 -12.569 4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.996 -13.016 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.625 -13.377 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.114 -14.784 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.438 -15.423 6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.976 -15.038 5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.374 -14.986 3.889 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.709 -17.326 5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.550 -16.145 2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.170 -17.792 2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.168 -19.348 4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.049 -19.534 3.457 1.00 0.00 H new ATOM 248 N LEU A 18 -10.695 -9.979 5.359 1.00 0.00 N ATOM 249 CA LEU A 18 -10.731 -8.644 6.001 1.00 0.00 C ATOM 250 C LEU A 18 -11.942 -7.811 5.541 1.00 0.00 C ATOM 251 O LEU A 18 -12.576 -8.139 4.540 1.00 0.00 O ATOM 252 CB LEU A 18 -9.361 -7.926 5.912 1.00 0.00 C ATOM 253 CG LEU A 18 -8.974 -7.211 4.590 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.543 -5.788 4.463 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.445 -7.129 4.468 1.00 0.00 C ATOM 0 H LEU A 18 -9.941 -10.101 4.683 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.896 -8.784 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.325 -7.185 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.588 -8.664 6.126 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.410 -7.811 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.229 -5.354 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.632 -5.827 4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.172 -5.173 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.181 -6.626 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.042 -6.568 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.025 -8.135 4.468 1.00 0.00 H new ATOM 266 N ALA A 19 -12.262 -6.730 6.263 1.00 0.00 N ATOM 267 CA ALA A 19 -13.399 -5.852 5.936 1.00 0.00 C ATOM 268 C ALA A 19 -13.102 -4.340 5.952 1.00 0.00 C ATOM 269 O ALA A 19 -13.773 -3.585 5.243 1.00 0.00 O ATOM 270 CB ALA A 19 -14.542 -6.209 6.895 1.00 0.00 C ATOM 0 H ALA A 19 -11.742 -6.437 7.090 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.665 -6.037 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.405 -5.578 6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.816 -7.255 6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.218 -6.048 7.923 1.00 0.00 H new ATOM 276 N GLY A 20 -12.116 -3.880 6.726 1.00 0.00 N ATOM 277 CA GLY A 20 -11.837 -2.446 6.895 1.00 0.00 C ATOM 278 C GLY A 20 -11.060 -1.818 5.724 1.00 0.00 C ATOM 279 O GLY A 20 -10.567 -2.549 4.857 1.00 0.00 O ATOM 0 H GLY A 20 -11.488 -4.487 7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.781 -1.915 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.268 -2.303 7.814 1.00 0.00 H new ATOM 283 N PRO A 21 -10.926 -0.476 5.696 1.00 0.00 N ATOM 284 CA PRO A 21 -10.097 0.222 4.719 1.00 0.00 C ATOM 285 C PRO A 21 -8.623 -0.065 5.029 1.00 0.00 C ATOM 286 O PRO A 21 -8.103 0.385 6.050 1.00 0.00 O ATOM 287 CB PRO A 21 -10.473 1.700 4.844 1.00 0.00 C ATOM 288 CG PRO A 21 -10.931 1.838 6.299 1.00 0.00 C ATOM 289 CD PRO A 21 -11.554 0.476 6.608 1.00 0.00 C ATOM 0 HA PRO A 21 -10.256 -0.102 3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.624 2.349 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.266 1.971 4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.095 2.057 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.653 2.646 6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.378 0.194 7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.634 0.500 6.463 1.00 0.00 H new ATOM 294 N THR A 22 -7.963 -0.823 4.147 1.00 0.00 N ATOM 295 CA THR A 22 -6.573 -1.277 4.320 1.00 0.00 C ATOM 296 C THR A 22 -5.784 -1.070 3.039 1.00 0.00 C ATOM 297 O THR A 22 -6.125 -1.612 1.994 1.00 0.00 O ATOM 298 CB THR A 22 -6.534 -2.755 4.734 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.139 -2.878 6.004 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.101 -3.297 4.854 1.00 0.00 C ATOM 0 H THR A 22 -8.385 -1.146 3.276 1.00 0.00 H new ATOM 0 HA THR A 22 -6.116 -0.684 5.112 1.00 0.00 H new ATOM 0 HB THR A 22 -7.055 -3.324 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.124 -3.817 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.132 -4.346 5.149 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.596 -3.205 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.557 -2.725 5.606 1.00 0.00 H new ATOM 308 N LEU A 23 -4.685 -0.327 3.115 1.00 0.00 N ATOM 309 CA LEU A 23 -3.726 -0.176 2.031 1.00 0.00 C ATOM 310 C LEU A 23 -2.665 -1.281 2.097 1.00 0.00 C ATOM 311 O LEU A 23 -1.993 -1.424 3.113 1.00 0.00 O ATOM 312 CB LEU A 23 -3.109 1.231 2.136 1.00 0.00 C ATOM 313 CG LEU A 23 -2.160 1.578 0.971 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.849 1.380 -0.371 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.624 2.996 1.138 1.00 0.00 C ATOM 0 H LEU A 23 -4.432 0.198 3.952 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.216 -0.277 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.911 1.968 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.561 1.309 3.075 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.310 0.896 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.158 1.632 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.159 0.340 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.725 2.027 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.955 3.232 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.455 3.701 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.078 3.070 2.079 1.00 0.00 H new ATOM 326 N VAL A 24 -2.494 -2.039 1.014 1.00 0.00 N ATOM 327 CA VAL A 24 -1.475 -3.099 0.888 1.00 0.00 C ATOM 328 C VAL A 24 -0.368 -2.625 -0.050 1.00 0.00 C ATOM 329 O VAL A 24 -0.605 -2.421 -1.237 1.00 0.00 O ATOM 330 CB VAL A 24 -2.095 -4.425 0.392 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.058 -5.558 0.364 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.273 -4.874 1.271 1.00 0.00 C ATOM 0 H VAL A 24 -3.069 -1.937 0.178 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.051 -3.297 1.872 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.453 -4.227 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.530 -6.475 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.242 -5.288 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.665 -5.717 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.678 -5.810 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.928 -5.022 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.050 -4.109 1.257 1.00 0.00 H new ATOM 342 N GLU A 25 0.820 -2.426 0.507 1.00 0.00 N ATOM 343 CA GLU A 25 2.000 -1.801 -0.102 1.00 0.00 C ATOM 344 C GLU A 25 3.063 -2.857 -0.430 1.00 0.00 C ATOM 345 O GLU A 25 3.485 -3.593 0.459 1.00 0.00 O ATOM 346 CB GLU A 25 2.506 -0.725 0.893 1.00 0.00 C ATOM 347 CG GLU A 25 3.946 -0.226 0.751 1.00 0.00 C ATOM 348 CD GLU A 25 4.164 0.659 -0.482 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.165 0.121 -1.608 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.356 1.885 -0.311 1.00 0.00 O ATOM 0 H GLU A 25 1.003 -2.717 1.467 1.00 0.00 H new ATOM 0 HA GLU A 25 1.757 -1.327 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.845 0.138 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.390 -1.123 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.218 0.335 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.616 -1.084 0.697 1.00 0.00 H new ATOM 355 N PHE A 26 3.506 -2.910 -1.690 1.00 0.00 N ATOM 356 CA PHE A 26 4.507 -3.852 -2.191 1.00 0.00 C ATOM 357 C PHE A 26 5.858 -3.158 -2.416 1.00 0.00 C ATOM 358 O PHE A 26 5.958 -2.186 -3.168 1.00 0.00 O ATOM 359 CB PHE A 26 3.990 -4.493 -3.489 1.00 0.00 C ATOM 360 CG PHE A 26 2.652 -5.184 -3.310 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.585 -6.398 -2.603 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.467 -4.587 -3.788 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.338 -6.996 -2.347 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.227 -5.204 -3.553 1.00 0.00 C ATOM 365 CZ PHE A 26 0.159 -6.396 -2.820 1.00 0.00 C ATOM 0 H PHE A 26 3.165 -2.276 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 26 4.668 -4.631 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.897 -3.725 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.722 -5.216 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.492 -6.871 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.513 -3.656 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.287 -7.918 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.678 -4.758 -3.939 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.799 -6.853 -2.619 1.00 0.00 H new ATOM 374 N GLY A 27 6.908 -3.680 -1.777 1.00 0.00 N ATOM 375 CA GLY A 27 8.234 -3.073 -1.768 1.00 0.00 C ATOM 376 C GLY A 27 9.208 -3.790 -0.840 1.00 0.00 C ATOM 377 O GLY A 27 9.016 -4.975 -0.559 1.00 0.00 O ATOM 0 H GLY A 27 6.856 -4.549 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.636 -3.076 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.149 -2.030 -1.462 1.00 0.00 H new ATOM 381 N THR A 28 10.228 -3.083 -0.349 1.00 0.00 N ATOM 382 CA THR A 28 11.156 -3.511 0.712 1.00 0.00 C ATOM 383 C THR A 28 11.603 -2.281 1.505 1.00 0.00 C ATOM 384 O THR A 28 11.283 -1.153 1.145 1.00 0.00 O ATOM 385 CB THR A 28 12.379 -4.253 0.156 1.00 0.00 C ATOM 386 OG1 THR A 28 13.091 -3.400 -0.712 1.00 0.00 O ATOM 387 CG2 THR A 28 12.020 -5.552 -0.573 1.00 0.00 C ATOM 0 H THR A 28 10.444 -2.148 -0.695 1.00 0.00 H new ATOM 0 HA THR A 28 10.629 -4.212 1.360 1.00 0.00 H new ATOM 0 HB THR A 28 12.995 -4.535 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.043 -3.629 -0.687 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.930 -6.026 -0.941 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.512 -6.227 0.116 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.362 -5.328 -1.413 1.00 0.00 H new ATOM 395 N ASP A 29 12.360 -2.469 2.594 1.00 0.00 N ATOM 396 CA ASP A 29 12.876 -1.330 3.368 1.00 0.00 C ATOM 397 C ASP A 29 14.179 -0.757 2.775 1.00 0.00 C ATOM 398 O ASP A 29 14.737 0.202 3.312 1.00 0.00 O ATOM 399 CB ASP A 29 13.014 -1.732 4.844 1.00 0.00 C ATOM 400 CG ASP A 29 13.116 -0.505 5.767 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.221 0.370 5.690 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.056 -0.451 6.598 1.00 0.00 O ATOM 0 H ASP A 29 12.626 -3.385 2.956 1.00 0.00 H new ATOM 0 HA ASP A 29 12.158 -0.512 3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.155 -2.336 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.900 -2.355 4.969 1.00 0.00 H new ATOM 406 N TRP A 30 14.671 -1.334 1.672 1.00 0.00 N ATOM 407 CA TRP A 30 16.011 -1.098 1.130 1.00 0.00 C ATOM 408 C TRP A 30 16.075 -0.700 -0.361 1.00 0.00 C ATOM 409 O TRP A 30 17.109 -0.169 -0.775 1.00 0.00 O ATOM 410 CB TRP A 30 16.869 -2.337 1.426 1.00 0.00 C ATOM 411 CG TRP A 30 16.331 -3.671 1.005 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.764 -4.584 1.825 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.342 -4.280 -0.323 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.430 -5.715 1.101 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.741 -5.575 -0.234 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.795 -3.866 -1.591 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.580 -6.404 -1.350 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.654 -4.696 -2.717 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.044 -5.958 -2.604 1.00 0.00 C ATOM 0 H TRP A 30 14.130 -1.997 1.117 1.00 0.00 H new ATOM 0 HA TRP A 30 16.403 -0.213 1.632 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.837 -2.198 0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.050 -2.372 2.500 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.597 -4.451 2.884 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.006 -6.550 1.506 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.258 -2.896 -1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.108 -7.370 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.017 -4.361 -3.677 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.931 -6.584 -3.477 1.00 0.00 H new ATOM 429 N CYS A 31 15.019 -0.890 -1.167 1.00 0.00 N ATOM 430 CA CYS A 31 14.992 -0.410 -2.561 1.00 0.00 C ATOM 431 C CYS A 31 14.948 1.132 -2.625 1.00 0.00 C ATOM 432 O CYS A 31 14.267 1.768 -1.814 1.00 0.00 O ATOM 433 CB CYS A 31 13.803 -1.021 -3.317 1.00 0.00 C ATOM 434 SG CYS A 31 13.766 -0.392 -5.029 1.00 0.00 S ATOM 0 H CYS A 31 14.169 -1.374 -0.878 1.00 0.00 H new ATOM 0 HA CYS A 31 15.914 -0.734 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.884 -2.108 -3.321 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.871 -0.772 -2.809 1.00 0.00 H new ATOM 0 HG CYS A 31 12.657 -0.756 -5.601 1.00 0.00 H new ATOM 439 N GLY A 32 15.640 1.725 -3.605 1.00 0.00 N ATOM 440 CA GLY A 32 15.655 3.172 -3.868 1.00 0.00 C ATOM 441 C GLY A 32 14.314 3.735 -4.337 1.00 0.00 C ATOM 442 O GLY A 32 14.060 4.911 -4.101 1.00 0.00 O ATOM 0 H GLY A 32 16.222 1.198 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.957 3.692 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.411 3.385 -4.624 1.00 0.00 H new ATOM 446 N HIS A 33 13.417 2.913 -4.903 1.00 0.00 N ATOM 447 CA HIS A 33 12.016 3.314 -5.098 1.00 0.00 C ATOM 448 C HIS A 33 11.321 3.516 -3.740 1.00 0.00 C ATOM 449 O HIS A 33 10.651 4.517 -3.491 1.00 0.00 O ATOM 450 CB HIS A 33 11.244 2.208 -5.840 1.00 0.00 C ATOM 451 CG HIS A 33 11.602 1.937 -7.281 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.799 0.690 -7.827 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.524 2.829 -8.316 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.791 0.821 -9.163 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.646 2.112 -9.519 1.00 0.00 N ATOM 0 H HIS A 33 13.635 1.972 -5.232 1.00 0.00 H new ATOM 0 HA HIS A 33 12.016 4.240 -5.672 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.374 1.280 -5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.184 2.457 -5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.392 3.897 -8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.888 0.001 -9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.628 2.491 -10.466 1.00 0.00 H new ATOM 463 N CYS A 34 11.517 2.553 -2.838 1.00 0.00 N ATOM 464 CA CYS A 34 10.923 2.556 -1.509 1.00 0.00 C ATOM 465 C CYS A 34 11.424 3.695 -0.633 1.00 0.00 C ATOM 466 O CYS A 34 10.641 4.233 0.143 1.00 0.00 O ATOM 467 CB CYS A 34 11.205 1.210 -0.859 1.00 0.00 C ATOM 468 SG CYS A 34 9.960 0.056 -1.495 1.00 0.00 S ATOM 0 H CYS A 34 12.103 1.738 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 34 9.850 2.717 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.211 0.866 -1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.146 1.284 0.227 1.00 0.00 H new ATOM 0 HG CYS A 34 10.505 -0.727 -2.378 1.00 0.00 H new ATOM 473 N GLN A 35 12.683 4.101 -0.772 1.00 0.00 N ATOM 474 CA GLN A 35 13.214 5.210 0.027 1.00 0.00 C ATOM 475 C GLN A 35 12.518 6.541 -0.301 1.00 0.00 C ATOM 476 O GLN A 35 12.482 7.446 0.532 1.00 0.00 O ATOM 477 CB GLN A 35 14.728 5.390 -0.185 1.00 0.00 C ATOM 478 CG GLN A 35 15.577 4.150 0.050 1.00 0.00 C ATOM 479 CD GLN A 35 15.240 3.358 1.304 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.461 3.789 2.428 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.706 2.167 1.146 1.00 0.00 N ATOM 0 H GLN A 35 13.351 3.686 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 35 13.018 4.947 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.895 5.735 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.078 6.180 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.476 3.492 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.623 4.451 0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.523 1.811 0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.475 1.600 1.961 1.00 0.00 H new ATOM 488 N ALA A 36 11.963 6.656 -1.510 1.00 0.00 N ATOM 489 CA ALA A 36 11.169 7.795 -1.972 1.00 0.00 C ATOM 490 C ALA A 36 9.681 7.667 -1.593 1.00 0.00 C ATOM 491 O ALA A 36 9.060 8.663 -1.224 1.00 0.00 O ATOM 492 CB ALA A 36 11.369 7.927 -3.489 1.00 0.00 C ATOM 0 H ALA A 36 12.059 5.930 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 36 11.512 8.702 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.787 8.770 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.425 8.092 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.037 7.012 -3.981 1.00 0.00 H new ATOM 498 N ALA A 37 9.103 6.458 -1.650 1.00 0.00 N ATOM 499 CA ALA A 37 7.692 6.228 -1.324 1.00 0.00 C ATOM 500 C ALA A 37 7.424 6.141 0.188 1.00 0.00 C ATOM 501 O ALA A 37 6.346 6.527 0.636 1.00 0.00 O ATOM 502 CB ALA A 37 7.187 4.981 -2.046 1.00 0.00 C ATOM 0 H ALA A 37 9.603 5.613 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 37 7.137 7.098 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.138 4.817 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.289 5.118 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.773 4.117 -1.733 1.00 0.00 H new ATOM 508 N GLN A 38 8.393 5.680 0.988 1.00 0.00 N ATOM 509 CA GLN A 38 8.290 5.602 2.451 1.00 0.00 C ATOM 510 C GLN A 38 7.898 6.950 3.099 1.00 0.00 C ATOM 511 O GLN A 38 6.867 6.996 3.781 1.00 0.00 O ATOM 512 CB GLN A 38 9.602 5.061 3.055 1.00 0.00 C ATOM 513 CG GLN A 38 9.699 3.522 3.122 1.00 0.00 C ATOM 514 CD GLN A 38 8.963 2.918 4.325 1.00 0.00 C ATOM 515 OE1 GLN A 38 7.815 3.241 4.600 1.00 0.00 O ATOM 516 NE2 GLN A 38 9.564 2.024 5.086 1.00 0.00 N ATOM 0 H GLN A 38 9.287 5.344 0.630 1.00 0.00 H new ATOM 0 HA GLN A 38 7.482 4.906 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.439 5.438 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.714 5.462 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.289 3.099 2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.749 3.233 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.521 1.738 4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.072 1.619 5.882 1.00 0.00 H new ATOM 523 N PRO A 39 8.639 8.060 2.878 1.00 0.00 N ATOM 524 CA PRO A 39 8.276 9.374 3.404 1.00 0.00 C ATOM 525 C PRO A 39 7.070 9.982 2.680 1.00 0.00 C ATOM 526 O PRO A 39 6.420 10.867 3.234 1.00 0.00 O ATOM 527 CB PRO A 39 9.522 10.244 3.249 1.00 0.00 C ATOM 528 CG PRO A 39 10.199 9.654 2.018 1.00 0.00 C ATOM 529 CD PRO A 39 9.910 8.160 2.171 1.00 0.00 C ATOM 0 HA PRO A 39 7.967 9.299 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.266 11.294 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.164 10.190 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.784 10.056 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.269 9.862 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.853 7.673 1.197 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.705 7.665 2.729 1.00 0.00 H new ATOM 534 N LEU A 40 6.721 9.497 1.477 1.00 0.00 N ATOM 535 CA LEU A 40 5.523 9.936 0.753 1.00 0.00 C ATOM 536 C LEU A 40 4.291 9.483 1.525 1.00 0.00 C ATOM 537 O LEU A 40 3.475 10.322 1.921 1.00 0.00 O ATOM 538 CB LEU A 40 5.508 9.336 -0.669 1.00 0.00 C ATOM 539 CG LEU A 40 5.149 10.278 -1.825 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.940 11.165 -1.516 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.339 11.132 -2.282 1.00 0.00 C ATOM 0 H LEU A 40 7.263 8.790 0.981 1.00 0.00 H new ATOM 0 HA LEU A 40 5.525 11.022 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.494 8.917 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.801 8.506 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 40 4.873 9.623 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.734 11.810 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.071 10.539 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.153 11.779 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.028 11.780 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.690 11.743 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.146 10.481 -2.619 1.00 0.00 H new ATOM 552 N LEU A 41 4.196 8.167 1.770 1.00 0.00 N ATOM 553 CA LEU A 41 3.121 7.563 2.548 1.00 0.00 C ATOM 554 C LEU A 41 3.085 8.206 3.926 1.00 0.00 C ATOM 555 O LEU A 41 2.026 8.644 4.345 1.00 0.00 O ATOM 556 CB LEU A 41 3.228 6.019 2.623 1.00 0.00 C ATOM 557 CG LEU A 41 2.526 5.219 1.496 1.00 0.00 C ATOM 558 CD1 LEU A 41 1.069 5.622 1.267 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.349 5.262 0.204 1.00 0.00 C ATOM 0 H LEU A 41 4.876 7.490 1.425 1.00 0.00 H new ATOM 0 HA LEU A 41 2.176 7.755 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.284 5.750 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.816 5.695 3.579 1.00 0.00 H new ATOM 0 HG LEU A 41 2.479 4.185 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.646 5.018 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.499 5.460 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.022 6.676 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.837 4.694 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.465 6.296 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.332 4.826 0.384 1.00 0.00 H new ATOM 570 N ALA A 42 4.237 8.384 4.574 1.00 0.00 N ATOM 571 CA ALA A 42 4.319 9.022 5.890 1.00 0.00 C ATOM 572 C ALA A 42 3.724 10.441 5.942 1.00 0.00 C ATOM 573 O ALA A 42 3.105 10.801 6.945 1.00 0.00 O ATOM 574 CB ALA A 42 5.775 9.004 6.360 1.00 0.00 C ATOM 0 H ALA A 42 5.140 8.090 4.202 1.00 0.00 H new ATOM 0 HA ALA A 42 3.697 8.442 6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.847 9.477 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.123 7.973 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.394 9.549 5.647 1.00 0.00 H new ATOM 580 N GLU A 43 3.865 11.228 4.875 1.00 0.00 N ATOM 581 CA GLU A 43 3.277 12.568 4.787 1.00 0.00 C ATOM 582 C GLU A 43 1.748 12.505 4.628 1.00 0.00 C ATOM 583 O GLU A 43 1.034 13.206 5.347 1.00 0.00 O ATOM 584 CB GLU A 43 3.912 13.361 3.630 1.00 0.00 C ATOM 585 CG GLU A 43 5.325 13.855 3.963 1.00 0.00 C ATOM 586 CD GLU A 43 5.299 15.129 4.831 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.118 16.238 4.274 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.491 15.036 6.065 1.00 0.00 O ATOM 0 H GLU A 43 4.391 10.955 4.045 1.00 0.00 H new ATOM 0 HA GLU A 43 3.489 13.086 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.951 12.732 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.279 14.215 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.870 13.070 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.866 14.056 3.039 1.00 0.00 H new ATOM 593 N VAL A 44 1.230 11.656 3.725 1.00 0.00 N ATOM 594 CA VAL A 44 -0.221 11.498 3.509 1.00 0.00 C ATOM 595 C VAL A 44 -0.929 10.869 4.725 1.00 0.00 C ATOM 596 O VAL A 44 -1.935 11.401 5.186 1.00 0.00 O ATOM 597 CB VAL A 44 -0.551 10.762 2.186 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.165 9.449 1.969 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.047 10.477 2.045 1.00 0.00 C ATOM 0 H VAL A 44 1.802 11.061 3.125 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.625 12.505 3.403 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.197 11.468 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.140 9.022 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.242 9.618 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.089 8.759 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.232 9.960 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.378 9.851 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.599 11.417 2.058 1.00 0.00 H new ATOM 609 N PHE A 45 -0.394 9.765 5.261 1.00 0.00 N ATOM 610 CA PHE A 45 -0.989 8.984 6.356 1.00 0.00 C ATOM 611 C PHE A 45 -1.161 9.774 7.662 1.00 0.00 C ATOM 612 O PHE A 45 -1.999 9.404 8.484 1.00 0.00 O ATOM 613 CB PHE A 45 -0.181 7.696 6.616 1.00 0.00 C ATOM 614 CG PHE A 45 -0.978 6.427 6.427 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.095 6.198 7.246 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.636 5.490 5.435 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.866 5.044 7.077 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.403 4.322 5.278 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.525 4.099 6.093 1.00 0.00 C ATOM 0 H PHE A 45 0.492 9.378 4.936 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.993 8.725 6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.679 7.677 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.208 7.721 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.359 6.915 8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.215 5.668 4.794 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.728 4.877 7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.129 3.594 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.122 3.208 5.965 1.00 0.00 H new ATOM 628 N SER A 46 -0.427 10.877 7.838 1.00 0.00 N ATOM 629 CA SER A 46 -0.577 11.779 8.989 1.00 0.00 C ATOM 630 C SER A 46 -1.990 12.399 9.097 1.00 0.00 C ATOM 631 O SER A 46 -2.397 12.812 10.187 1.00 0.00 O ATOM 632 CB SER A 46 0.494 12.881 8.896 1.00 0.00 C ATOM 633 OG SER A 46 0.688 13.562 10.128 1.00 0.00 O ATOM 0 H SER A 46 0.295 11.173 7.181 1.00 0.00 H new ATOM 0 HA SER A 46 -0.441 11.189 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.438 12.439 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.204 13.600 8.130 1.00 0.00 H new ATOM 0 HG SER A 46 1.378 14.249 10.017 1.00 0.00 H new ATOM 638 N ASP A 47 -2.753 12.454 7.993 1.00 0.00 N ATOM 639 CA ASP A 47 -4.134 12.958 7.945 1.00 0.00 C ATOM 640 C ASP A 47 -5.212 11.852 7.901 1.00 0.00 C ATOM 641 O ASP A 47 -6.393 12.143 8.094 1.00 0.00 O ATOM 642 CB ASP A 47 -4.266 13.900 6.740 1.00 0.00 C ATOM 643 CG ASP A 47 -5.493 14.829 6.854 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.601 15.565 7.867 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.323 14.859 5.915 1.00 0.00 O ATOM 0 H ASP A 47 -2.415 12.140 7.083 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.320 13.490 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.363 14.504 6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.344 13.310 5.827 1.00 0.00 H new ATOM 649 N TYR A 48 -4.815 10.589 7.680 1.00 0.00 N ATOM 650 CA TYR A 48 -5.708 9.411 7.587 1.00 0.00 C ATOM 651 C TYR A 48 -5.287 8.206 8.477 1.00 0.00 C ATOM 652 O TYR A 48 -5.396 7.061 8.020 1.00 0.00 O ATOM 653 CB TYR A 48 -5.854 8.995 6.108 1.00 0.00 C ATOM 654 CG TYR A 48 -6.095 10.135 5.130 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.388 10.661 4.934 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.003 10.692 4.437 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.581 11.746 4.059 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.190 11.798 3.590 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.476 12.333 3.397 1.00 0.00 C ATOM 660 OH TYR A 48 -6.642 13.415 2.585 1.00 0.00 O ATOM 0 H TYR A 48 -3.832 10.346 7.556 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.674 9.719 7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.950 8.465 5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.680 8.288 6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.231 10.231 5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.017 10.267 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.576 12.132 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.343 12.239 3.086 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.775 13.684 2.217 1.00 0.00 H new ATOM 669 N PRO A 49 -4.819 8.399 9.733 1.00 0.00 N ATOM 670 CA PRO A 49 -4.248 7.328 10.556 1.00 0.00 C ATOM 671 C PRO A 49 -5.238 6.198 10.892 1.00 0.00 C ATOM 672 O PRO A 49 -4.803 5.114 11.270 1.00 0.00 O ATOM 673 CB PRO A 49 -3.731 8.018 11.819 1.00 0.00 C ATOM 674 CG PRO A 49 -4.637 9.243 11.949 1.00 0.00 C ATOM 675 CD PRO A 49 -4.855 9.641 10.495 1.00 0.00 C ATOM 0 HA PRO A 49 -3.457 6.818 10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.806 7.368 12.691 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.683 8.302 11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.575 9.004 12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.164 10.040 12.522 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.810 10.150 10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.080 10.329 10.158 1.00 0.00 H new ATOM 680 N GLU A 50 -6.551 6.416 10.718 1.00 0.00 N ATOM 681 CA GLU A 50 -7.587 5.387 10.872 1.00 0.00 C ATOM 682 C GLU A 50 -7.581 4.320 9.750 1.00 0.00 C ATOM 683 O GLU A 50 -8.174 3.258 9.934 1.00 0.00 O ATOM 684 CB GLU A 50 -8.973 6.056 10.988 1.00 0.00 C ATOM 685 CG GLU A 50 -9.422 6.814 9.729 1.00 0.00 C ATOM 686 CD GLU A 50 -10.773 7.507 9.961 1.00 0.00 C ATOM 687 OE1 GLU A 50 -10.790 8.626 10.530 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.824 6.939 9.578 1.00 0.00 O ATOM 0 H GLU A 50 -6.927 7.329 10.462 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.358 4.845 11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.714 5.291 11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.958 6.750 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.670 7.555 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.503 6.121 8.892 1.00 0.00 H new ATOM 693 N VAL A 51 -6.913 4.567 8.609 1.00 0.00 N ATOM 694 CA VAL A 51 -6.721 3.569 7.537 1.00 0.00 C ATOM 695 C VAL A 51 -5.632 2.558 7.961 1.00 0.00 C ATOM 696 O VAL A 51 -4.684 2.915 8.660 1.00 0.00 O ATOM 697 CB VAL A 51 -6.395 4.256 6.176 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.213 3.270 5.008 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.523 5.223 5.782 1.00 0.00 C ATOM 0 H VAL A 51 -6.488 5.471 8.402 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.651 3.021 7.386 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.450 4.774 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.989 3.824 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.391 2.590 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.130 2.698 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.281 5.695 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.458 4.671 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.630 5.989 6.550 1.00 0.00 H new ATOM 709 N GLY A 52 -5.761 1.285 7.569 1.00 0.00 N ATOM 710 CA GLY A 52 -4.749 0.245 7.818 1.00 0.00 C ATOM 711 C GLY A 52 -3.626 0.311 6.779 1.00 0.00 C ATOM 712 O GLY A 52 -3.881 0.658 5.633 1.00 0.00 O ATOM 0 H GLY A 52 -6.578 0.942 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.332 0.370 8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.218 -0.738 7.789 1.00 0.00 H new ATOM 716 N HIS A 53 -2.399 -0.057 7.139 1.00 0.00 N ATOM 717 CA HIS A 53 -1.281 -0.156 6.188 1.00 0.00 C ATOM 718 C HIS A 53 -0.517 -1.481 6.374 1.00 0.00 C ATOM 719 O HIS A 53 -0.134 -1.828 7.493 1.00 0.00 O ATOM 720 CB HIS A 53 -0.348 1.055 6.354 1.00 0.00 C ATOM 721 CG HIS A 53 0.571 1.332 5.183 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.753 2.050 5.237 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.375 1.001 3.868 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.251 2.123 3.989 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.440 1.504 3.116 1.00 0.00 N ATOM 0 H HIS A 53 -2.146 -0.296 8.098 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.678 -0.150 5.173 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.958 1.940 6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.262 0.903 7.245 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.173 2.453 6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.464 0.444 3.477 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.177 2.613 3.725 1.00 0.00 H new ATOM 733 N LEU A 54 -0.302 -2.209 5.276 1.00 0.00 N ATOM 734 CA LEU A 54 0.345 -3.517 5.261 1.00 0.00 C ATOM 735 C LEU A 54 1.515 -3.483 4.262 1.00 0.00 C ATOM 736 O LEU A 54 1.339 -3.631 3.053 1.00 0.00 O ATOM 737 CB LEU A 54 -0.740 -4.572 4.941 1.00 0.00 C ATOM 738 CG LEU A 54 -0.452 -6.006 5.434 1.00 0.00 C ATOM 739 CD1 LEU A 54 -1.705 -6.876 5.220 1.00 0.00 C ATOM 740 CD2 LEU A 54 0.746 -6.652 4.727 1.00 0.00 C ATOM 0 H LEU A 54 -0.582 -1.893 4.348 1.00 0.00 H new ATOM 0 HA LEU A 54 0.782 -3.786 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.682 -4.240 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.883 -4.602 3.861 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.200 -5.940 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.507 -7.890 5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.539 -6.457 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.956 -6.897 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.899 -7.659 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.552 -6.703 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.640 -6.054 4.906 1.00 0.00 H new ATOM 751 N LYS A 55 2.720 -3.268 4.785 1.00 0.00 N ATOM 752 CA LYS A 55 3.960 -3.239 3.999 1.00 0.00 C ATOM 753 C LYS A 55 4.498 -4.656 3.739 1.00 0.00 C ATOM 754 O LYS A 55 5.157 -5.249 4.594 1.00 0.00 O ATOM 755 CB LYS A 55 4.986 -2.371 4.735 1.00 0.00 C ATOM 756 CG LYS A 55 4.930 -0.919 4.273 1.00 0.00 C ATOM 757 CD LYS A 55 5.620 0.067 5.211 1.00 0.00 C ATOM 758 CE LYS A 55 4.871 0.181 6.541 1.00 0.00 C ATOM 759 NZ LYS A 55 5.419 1.290 7.347 1.00 0.00 N ATOM 0 H LYS A 55 2.869 -3.106 5.781 1.00 0.00 H new ATOM 0 HA LYS A 55 3.758 -2.806 3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.801 -2.419 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.987 -2.768 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.389 -0.846 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.886 -0.626 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.645 -0.257 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.675 1.047 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.810 0.348 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.954 -0.755 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.901 1.355 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.426 1.115 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.317 2.183 6.824 1.00 0.00 H new ATOM 769 N VAL A 56 4.238 -5.163 2.542 1.00 0.00 N ATOM 770 CA VAL A 56 4.638 -6.479 2.045 1.00 0.00 C ATOM 771 C VAL A 56 6.046 -6.402 1.485 1.00 0.00 C ATOM 772 O VAL A 56 6.301 -5.758 0.468 1.00 0.00 O ATOM 773 CB VAL A 56 3.681 -6.974 0.932 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.059 -8.390 0.471 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.213 -6.958 1.369 1.00 0.00 C ATOM 0 H VAL A 56 3.710 -4.636 1.846 1.00 0.00 H new ATOM 0 HA VAL A 56 4.597 -7.181 2.877 1.00 0.00 H new ATOM 0 HB VAL A 56 3.793 -6.276 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.372 -8.714 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.077 -8.386 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.997 -9.076 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.586 -7.314 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.084 -7.608 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.923 -5.941 1.632 1.00 0.00 H new ATOM 785 N GLU A 57 6.943 -7.092 2.178 1.00 0.00 N ATOM 786 CA GLU A 57 8.307 -7.302 1.741 1.00 0.00 C ATOM 787 C GLU A 57 8.341 -8.301 0.565 1.00 0.00 C ATOM 788 O GLU A 57 8.046 -9.481 0.735 1.00 0.00 O ATOM 789 CB GLU A 57 9.154 -7.769 2.928 1.00 0.00 C ATOM 790 CG GLU A 57 10.620 -7.533 2.622 1.00 0.00 C ATOM 791 CD GLU A 57 11.519 -8.038 3.762 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.608 -7.363 4.816 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.157 -9.109 3.606 1.00 0.00 O ATOM 0 H GLU A 57 6.733 -7.528 3.076 1.00 0.00 H new ATOM 0 HA GLU A 57 8.732 -6.367 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.867 -7.227 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.977 -8.827 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.886 -8.040 1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.794 -6.469 2.464 1.00 0.00 H new ATOM 894 N GLY A 65 2.112 -9.550 -4.280 1.00 0.00 N ATOM 895 CA GLY A 65 1.945 -8.571 -5.373 1.00 0.00 C ATOM 896 C GLY A 65 1.794 -9.211 -6.762 1.00 0.00 C ATOM 897 O GLY A 65 1.202 -8.612 -7.664 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.067 -7.958 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.805 -7.902 -5.383 1.00 0.00 H new ATOM 901 N ARG A 66 2.254 -10.460 -6.907 1.00 0.00 N ATOM 902 CA ARG A 66 1.960 -11.366 -8.021 1.00 0.00 C ATOM 903 C ARG A 66 0.447 -11.579 -8.186 1.00 0.00 C ATOM 904 O ARG A 66 -0.101 -11.381 -9.263 1.00 0.00 O ATOM 905 CB ARG A 66 2.669 -12.709 -7.756 1.00 0.00 C ATOM 906 CG ARG A 66 2.527 -13.723 -8.908 1.00 0.00 C ATOM 907 CD ARG A 66 2.786 -15.160 -8.433 1.00 0.00 C ATOM 908 NE ARG A 66 1.696 -15.615 -7.551 1.00 0.00 N ATOM 909 CZ ARG A 66 1.686 -16.708 -6.802 1.00 0.00 C ATOM 910 NH1 ARG A 66 2.682 -17.567 -6.788 1.00 0.00 N ATOM 911 NH2 ARG A 66 0.638 -16.948 -6.043 1.00 0.00 N ATOM 0 H ARG A 66 2.872 -10.886 -6.216 1.00 0.00 H new ATOM 0 HA ARG A 66 2.325 -10.925 -8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.728 -12.522 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.265 -13.149 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.525 -13.655 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.228 -13.471 -9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.868 -15.825 -9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.736 -15.208 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 66 0.863 -15.027 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.504 -17.404 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.632 -18.396 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.148 -16.298 -6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.612 -17.784 -5.459 1.00 0.00 H new ATOM 922 N SER A 67 -0.253 -11.916 -7.099 1.00 0.00 N ATOM 923 CA SER A 67 -1.695 -12.215 -7.069 1.00 0.00 C ATOM 924 C SER A 67 -2.577 -10.945 -7.055 1.00 0.00 C ATOM 925 O SER A 67 -3.796 -11.014 -7.242 1.00 0.00 O ATOM 926 CB SER A 67 -2.001 -13.076 -5.834 1.00 0.00 C ATOM 927 OG SER A 67 -1.174 -14.235 -5.780 1.00 0.00 O ATOM 0 H SER A 67 0.182 -11.992 -6.179 1.00 0.00 H new ATOM 0 HA SER A 67 -1.937 -12.752 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.855 -12.482 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.048 -13.377 -5.851 1.00 0.00 H new ATOM 0 HG SER A 67 -1.395 -14.758 -4.981 1.00 0.00 H new ATOM 932 N PHE A 68 -1.961 -9.773 -6.875 1.00 0.00 N ATOM 933 CA PHE A 68 -2.531 -8.466 -7.207 1.00 0.00 C ATOM 934 C PHE A 68 -2.223 -8.024 -8.648 1.00 0.00 C ATOM 935 O PHE A 68 -2.779 -7.016 -9.094 1.00 0.00 O ATOM 936 CB PHE A 68 -2.025 -7.428 -6.201 1.00 0.00 C ATOM 937 CG PHE A 68 -2.796 -7.460 -4.906 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.394 -8.310 -3.867 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.920 -6.639 -4.744 1.00 0.00 C ATOM 940 CE1 PHE A 68 -3.079 -8.302 -2.638 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.620 -6.630 -3.527 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.195 -7.460 -2.473 1.00 0.00 C ATOM 0 H PHE A 68 -1.022 -9.707 -6.482 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.616 -8.551 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.970 -7.608 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.099 -6.433 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.555 -8.974 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.249 -6.011 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.751 -8.937 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.480 -5.989 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.727 -7.451 -1.533 1.00 0.00 H new ATOM 951 N GLN A 69 -1.360 -8.743 -9.372 1.00 0.00 N ATOM 952 CA GLN A 69 -0.962 -8.457 -10.755 1.00 0.00 C ATOM 953 C GLN A 69 -0.354 -7.042 -10.858 1.00 0.00 C ATOM 954 O GLN A 69 -0.726 -6.256 -11.731 1.00 0.00 O ATOM 955 CB GLN A 69 -2.131 -8.738 -11.728 1.00 0.00 C ATOM 956 CG GLN A 69 -2.530 -10.228 -11.782 1.00 0.00 C ATOM 957 CD GLN A 69 -3.348 -10.781 -10.607 1.00 0.00 C ATOM 958 OE1 GLN A 69 -3.194 -11.932 -10.215 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.233 -10.030 -9.980 1.00 0.00 N ATOM 0 H GLN A 69 -0.901 -9.573 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.167 -9.135 -11.065 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.996 -8.147 -11.427 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.851 -8.407 -12.728 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.100 -10.391 -12.696 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.618 -10.819 -11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.388 -9.067 -10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.762 -10.412 -9.196 1.00 0.00 H new ATOM 966 N VAL A 70 0.534 -6.696 -9.913 1.00 0.00 N ATOM 967 CA VAL A 70 1.175 -5.374 -9.810 1.00 0.00 C ATOM 968 C VAL A 70 1.961 -5.022 -11.086 1.00 0.00 C ATOM 969 O VAL A 70 2.731 -5.830 -11.612 1.00 0.00 O ATOM 970 CB VAL A 70 2.032 -5.283 -8.526 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.082 -4.160 -8.551 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.093 -5.068 -7.330 1.00 0.00 C ATOM 0 H VAL A 70 0.834 -7.342 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 70 0.395 -4.618 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 70 2.588 -6.217 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.641 -4.163 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.767 -4.321 -9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.583 -3.198 -8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.680 -5.001 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.532 -4.144 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.400 -5.906 -7.256 1.00 0.00 H new ATOM 982 N LYS A 71 1.742 -3.795 -11.573 1.00 0.00 N ATOM 983 CA LYS A 71 2.153 -3.328 -12.906 1.00 0.00 C ATOM 984 C LYS A 71 3.636 -2.920 -12.989 1.00 0.00 C ATOM 985 O LYS A 71 4.362 -3.349 -13.889 1.00 0.00 O ATOM 986 CB LYS A 71 1.258 -2.139 -13.298 1.00 0.00 C ATOM 987 CG LYS A 71 -0.207 -2.580 -13.363 1.00 0.00 C ATOM 988 CD LYS A 71 -1.076 -1.562 -14.100 1.00 0.00 C ATOM 989 CE LYS A 71 -1.224 -0.261 -13.296 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.090 0.722 -13.995 1.00 0.00 N ATOM 0 H LYS A 71 1.259 -3.076 -11.035 1.00 0.00 H new ATOM 0 HA LYS A 71 2.035 -4.162 -13.598 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.371 -1.334 -12.572 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.570 -1.743 -14.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.274 -3.545 -13.865 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.589 -2.719 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.635 -1.342 -15.072 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.061 -1.990 -14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.645 -0.485 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.240 0.176 -13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.166 1.587 -13.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.675 0.955 -14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.037 0.314 -14.133 1.00 0.00 H new ATOM 1000 N LEU A 72 4.048 -2.072 -12.042 1.00 0.00 N ATOM 1001 CA LEU A 72 5.410 -1.572 -11.860 1.00 0.00 C ATOM 1002 C LEU A 72 6.087 -2.451 -10.791 1.00 0.00 C ATOM 1003 O LEU A 72 6.100 -3.674 -10.923 1.00 0.00 O ATOM 1004 CB LEU A 72 5.294 -0.060 -11.547 1.00 0.00 C ATOM 1005 CG LEU A 72 6.595 0.765 -11.612 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.188 0.789 -13.031 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.318 2.197 -11.154 1.00 0.00 C ATOM 0 H LEU A 72 3.404 -1.697 -11.345 1.00 0.00 H new ATOM 0 HA LEU A 72 6.054 -1.645 -12.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.579 0.377 -12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.872 0.049 -10.548 1.00 0.00 H new ATOM 0 HG LEU A 72 7.322 0.291 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.103 1.381 -13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.413 -0.229 -13.348 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.468 1.233 -13.719 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.239 2.778 -11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.570 2.649 -11.805 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.947 2.186 -10.129 1.00 0.00 H new ATOM 1018 N TRP A 73 6.583 -1.849 -9.712 1.00 0.00 N ATOM 1019 CA TRP A 73 6.918 -2.536 -8.469 1.00 0.00 C ATOM 1020 C TRP A 73 6.573 -1.709 -7.216 1.00 0.00 C ATOM 1021 O TRP A 73 5.877 -2.264 -6.359 1.00 0.00 O ATOM 1022 CB TRP A 73 8.386 -2.946 -8.488 1.00 0.00 C ATOM 1023 CG TRP A 73 8.789 -3.829 -7.359 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.525 -5.150 -7.242 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.535 -3.467 -6.162 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.068 -5.629 -6.065 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.742 -4.642 -5.378 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.060 -2.256 -5.665 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.490 -4.632 -4.193 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.783 -2.235 -4.460 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.030 -3.418 -3.741 1.00 0.00 C ATOM 0 H TRP A 73 6.767 -0.846 -9.678 1.00 0.00 H new ATOM 0 HA TRP A 73 6.300 -3.432 -8.407 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.596 -3.458 -9.427 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.003 -2.047 -8.469 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.974 -5.741 -7.959 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.981 -6.593 -5.744 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.905 -1.339 -6.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.648 -5.544 -3.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.155 -1.295 -4.080 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.633 -3.392 -2.845 1.00 0.00 H new ATOM 1041 N PRO A 74 6.960 -0.413 -7.097 1.00 0.00 N ATOM 1042 CA PRO A 74 6.452 0.440 -6.034 1.00 0.00 C ATOM 1043 C PRO A 74 4.981 0.768 -6.326 1.00 0.00 C ATOM 1044 O PRO A 74 4.666 1.609 -7.169 1.00 0.00 O ATOM 1045 CB PRO A 74 7.345 1.678 -6.004 1.00 0.00 C ATOM 1046 CG PRO A 74 7.781 1.815 -7.464 1.00 0.00 C ATOM 1047 CD PRO A 74 7.919 0.353 -7.890 1.00 0.00 C ATOM 0 HA PRO A 74 6.478 -0.036 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.804 2.559 -5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.197 1.546 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.042 2.347 -8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.721 2.359 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.716 0.240 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.934 -0.005 -7.719 1.00 0.00 H new ATOM 1052 N THR A 75 4.080 0.046 -5.657 1.00 0.00 N ATOM 1053 CA THR A 75 2.639 0.042 -5.917 1.00 0.00 C ATOM 1054 C THR A 75 1.935 -0.392 -4.647 1.00 0.00 C ATOM 1055 O THR A 75 2.346 -1.349 -3.997 1.00 0.00 O ATOM 1056 CB THR A 75 2.291 -0.926 -7.056 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.899 -0.476 -8.241 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.790 -1.042 -7.329 1.00 0.00 C ATOM 0 H THR A 75 4.343 -0.575 -4.891 1.00 0.00 H new ATOM 0 HA THR A 75 2.319 1.040 -6.216 1.00 0.00 H new ATOM 0 HB THR A 75 2.651 -1.906 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.558 -0.993 -9.000 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.622 -1.743 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.284 -1.401 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.393 -0.064 -7.603 1.00 0.00 H new ATOM 1066 N PHE A 76 0.847 0.299 -4.326 1.00 0.00 N ATOM 1067 CA PHE A 76 0.047 0.052 -3.144 1.00 0.00 C ATOM 1068 C PHE A 76 -1.438 0.058 -3.522 1.00 0.00 C ATOM 1069 O PHE A 76 -1.936 0.993 -4.151 1.00 0.00 O ATOM 1070 CB PHE A 76 0.404 1.053 -2.024 1.00 0.00 C ATOM 1071 CG PHE A 76 0.872 2.415 -2.477 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.192 2.606 -2.923 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.023 3.492 -2.458 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.615 3.856 -3.391 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.418 4.750 -2.878 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.718 4.929 -3.373 1.00 0.00 C ATOM 0 H PHE A 76 0.492 1.065 -4.899 1.00 0.00 H new ATOM 0 HA PHE A 76 0.270 -0.935 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.472 1.185 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.184 0.611 -1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.887 1.780 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.040 3.352 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.621 3.990 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.251 5.596 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.027 5.896 -3.741 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.122 -1.028 -3.158 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.518 -1.329 -3.508 1.00 0.00 C ATOM 1087 C VAL A 77 -4.401 -1.034 -2.301 1.00 0.00 C ATOM 1088 O VAL A 77 -4.170 -1.565 -1.217 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.681 -2.790 -3.986 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.108 -3.054 -4.494 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.688 -3.109 -5.126 1.00 0.00 C ATOM 0 H VAL A 77 -1.701 -1.758 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.824 -0.697 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.478 -3.431 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.191 -4.090 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.820 -2.870 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.325 -2.389 -5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.821 -4.142 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.874 -2.442 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.668 -2.968 -4.770 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.388 -0.159 -2.486 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.370 0.205 -1.463 1.00 0.00 C ATOM 1103 C PHE A 78 -7.499 -0.835 -1.474 1.00 0.00 C ATOM 1104 O PHE A 78 -8.213 -1.006 -2.469 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.901 1.637 -1.671 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.859 2.749 -1.552 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.929 2.933 -2.594 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.782 3.574 -0.405 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.910 3.893 -2.480 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.778 4.565 -0.314 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.848 4.720 -1.356 1.00 0.00 C ATOM 0 H PHE A 78 -5.531 0.328 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.893 0.202 -0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.359 1.696 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.690 1.823 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.000 2.331 -3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.490 3.447 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.173 3.992 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.726 5.203 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.084 5.480 -1.288 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.659 -1.545 -0.359 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.705 -2.537 -0.125 1.00 0.00 C ATOM 1122 C LEU A 79 -9.764 -1.944 0.805 1.00 0.00 C ATOM 1123 O LEU A 79 -9.482 -1.074 1.633 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.153 -3.825 0.530 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.253 -4.764 -0.285 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -8.001 -5.644 -1.280 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -6.140 -4.049 -1.029 1.00 0.00 C ATOM 0 H LEU A 79 -7.035 -1.439 0.441 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.128 -2.798 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.594 -3.526 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.007 -4.408 0.873 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.820 -5.401 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.290 -6.276 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.715 -6.271 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.533 -5.015 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.546 -4.777 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.571 -3.329 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.502 -3.527 -0.316 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.961 -2.508 0.697 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.134 -2.240 1.542 1.00 0.00 C ATOM 1140 C ARG A 80 -13.201 -3.302 1.272 1.00 0.00 C ATOM 1141 O ARG A 80 -13.413 -3.695 0.129 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.670 -0.807 1.327 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.400 -0.253 2.562 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.695 1.251 2.406 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.295 1.802 3.632 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.208 3.049 4.085 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.537 3.996 3.461 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.805 3.369 5.213 1.00 0.00 N ATOM 0 H ARG A 80 -11.157 -3.205 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.843 -2.300 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.840 -0.147 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.351 -0.802 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.333 -0.796 2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.791 -0.417 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.772 1.784 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.370 1.407 1.565 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.840 1.153 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.053 3.787 2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.501 4.938 3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.328 2.663 5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.744 4.323 5.569 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.798 -3.842 2.337 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.663 -5.043 2.310 1.00 0.00 C ATOM 1161 C ASP A 81 -13.884 -6.316 1.886 1.00 0.00 C ATOM 1162 O ASP A 81 -14.460 -7.287 1.394 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.920 -4.801 1.453 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.061 -5.799 1.746 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.361 -6.058 2.937 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.694 -6.285 0.777 1.00 0.00 O ATOM 0 H ASP A 81 -13.695 -3.451 3.273 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.003 -5.229 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.280 -3.787 1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.651 -4.867 0.399 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.550 -6.284 2.032 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.623 -7.355 1.651 1.00 0.00 C ATOM 1172 C GLY A 82 -11.177 -7.352 0.191 1.00 0.00 C ATOM 1173 O GLY A 82 -10.370 -8.201 -0.191 1.00 0.00 O ATOM 0 H GLY A 82 -12.071 -5.478 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.738 -7.287 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.095 -8.314 1.866 1.00 0.00 H new ATOM 1177 N ARG A 83 -11.681 -6.417 -0.629 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.463 -6.351 -2.079 1.00 0.00 C ATOM 1179 C ARG A 83 -11.035 -4.950 -2.526 1.00 0.00 C ATOM 1180 O ARG A 83 -11.199 -3.963 -1.817 1.00 0.00 O ATOM 1181 CB ARG A 83 -12.707 -6.873 -2.829 1.00 0.00 C ATOM 1182 CG ARG A 83 -12.778 -8.396 -2.632 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.010 -9.073 -3.222 1.00 0.00 C ATOM 1184 NE ARG A 83 -14.015 -10.477 -2.787 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.917 -11.411 -3.038 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -15.962 -11.189 -3.811 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -14.773 -12.601 -2.494 1.00 0.00 N ATOM 0 H ARG A 83 -12.272 -5.660 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.631 -7.006 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.610 -6.397 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.643 -6.629 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.890 -8.845 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.743 -8.610 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.917 -8.569 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.993 -9.012 -4.310 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.220 -10.769 -2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.095 -10.272 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.637 -11.934 -3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.974 -12.792 -1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.460 -13.332 -2.678 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.390 -4.891 -3.681 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.736 -3.688 -4.193 1.00 0.00 C ATOM 1200 C GLU A 84 -10.776 -2.609 -4.533 1.00 0.00 C ATOM 1201 O GLU A 84 -11.672 -2.842 -5.354 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.834 -4.042 -5.388 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.291 -2.813 -6.136 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.284 -3.163 -7.246 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.033 -4.361 -7.514 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.733 -2.232 -7.869 1.00 0.00 O ATOM 0 H GLU A 84 -10.303 -5.693 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.093 -3.269 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.995 -4.641 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.397 -4.662 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.126 -2.266 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.812 -2.145 -5.420 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.625 -1.429 -3.925 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.377 -0.208 -4.266 1.00 0.00 C ATOM 1213 C VAL A 85 -10.583 0.717 -5.200 1.00 0.00 C ATOM 1214 O VAL A 85 -11.183 1.473 -5.961 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.831 0.563 -3.003 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.966 -0.190 -2.298 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.698 0.812 -1.987 1.00 0.00 C ATOM 0 H VAL A 85 -9.962 -1.288 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.268 -0.538 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.170 1.536 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.275 0.364 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.813 -0.290 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.618 -1.180 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.092 1.357 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.291 -0.143 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.909 1.398 -2.458 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.250 0.612 -5.181 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.313 1.386 -5.998 1.00 0.00 C ATOM 1229 C ALA A 86 -6.889 0.850 -5.847 1.00 0.00 C ATOM 1230 O ALA A 86 -6.623 -0.005 -5.002 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.349 2.854 -5.546 1.00 0.00 C ATOM 0 H ALA A 86 -8.774 -0.047 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.608 1.302 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.654 3.438 -6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.357 3.248 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.061 2.919 -4.497 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.945 1.462 -6.565 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.516 1.388 -6.275 1.00 0.00 C ATOM 1239 C ARG A 87 -3.783 2.624 -6.788 1.00 0.00 C ATOM 1240 O ARG A 87 -4.248 3.283 -7.718 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.930 0.082 -6.812 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.932 -0.025 -8.342 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.191 -1.303 -8.740 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.017 -2.506 -8.557 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.647 -3.763 -8.773 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.448 -4.089 -9.210 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.488 -4.742 -8.553 1.00 0.00 N ATOM 0 H ARG A 87 -6.160 2.035 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.376 1.380 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.906 -0.018 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.495 -0.754 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.955 -0.047 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.448 0.846 -8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.882 -1.232 -9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.283 -1.394 -8.144 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.972 -2.360 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.758 -3.361 -9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.209 -5.069 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.429 -4.540 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.202 -5.707 -8.719 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.632 2.912 -6.192 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.724 3.991 -6.613 1.00 0.00 C ATOM 1260 C VAL A 88 -0.363 3.370 -6.921 1.00 0.00 C ATOM 1261 O VAL A 88 0.090 2.463 -6.223 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.605 5.076 -5.521 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.535 6.144 -5.832 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.929 5.812 -5.246 1.00 0.00 C ATOM 0 H VAL A 88 -2.289 2.394 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.119 4.482 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.310 4.510 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.505 6.875 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.440 5.666 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.784 6.647 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.775 6.560 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.270 6.301 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.682 5.096 -4.916 1.00 0.00 H new ATOM 1274 N VAL A 89 0.269 3.855 -7.989 1.00 0.00 N ATOM 1275 CA VAL A 89 1.564 3.379 -8.500 1.00 0.00 C ATOM 1276 C VAL A 89 2.397 4.585 -8.949 1.00 0.00 C ATOM 1277 O VAL A 89 1.871 5.488 -9.601 1.00 0.00 O ATOM 1278 CB VAL A 89 1.379 2.335 -9.630 1.00 0.00 C ATOM 1279 CG1 VAL A 89 0.336 2.724 -10.691 1.00 0.00 C ATOM 1280 CG2 VAL A 89 2.701 2.006 -10.338 1.00 0.00 C ATOM 0 H VAL A 89 -0.116 4.618 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 89 2.102 2.864 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 89 1.005 1.454 -9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.271 1.938 -11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.636 2.852 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.633 3.658 -11.168 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.521 1.270 -11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.113 2.913 -10.780 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.409 1.601 -9.616 1.00 0.00 H new ATOM 1290 N ARG A 90 3.677 4.603 -8.566 1.00 0.00 N ATOM 1291 CA ARG A 90 4.651 5.666 -8.873 1.00 0.00 C ATOM 1292 C ARG A 90 4.154 7.061 -8.390 1.00 0.00 C ATOM 1293 O ARG A 90 3.756 7.875 -9.228 1.00 0.00 O ATOM 1294 CB ARG A 90 5.000 5.634 -10.375 1.00 0.00 C ATOM 1295 CG ARG A 90 6.326 6.348 -10.667 1.00 0.00 C ATOM 1296 CD ARG A 90 6.642 6.330 -12.165 1.00 0.00 C ATOM 1297 NE ARG A 90 7.952 6.952 -12.434 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.421 7.323 -13.618 1.00 0.00 C ATOM 1299 NH1 ARG A 90 7.722 7.170 -14.729 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.616 7.866 -13.708 1.00 0.00 N ATOM 0 H ARG A 90 4.084 3.850 -8.011 1.00 0.00 H new ATOM 0 HA ARG A 90 5.570 5.479 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.063 4.599 -10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.200 6.107 -10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.273 7.378 -10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.132 5.864 -10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.641 5.302 -12.529 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.863 6.862 -12.711 1.00 0.00 H new ATOM 0 HE ARG A 90 8.558 7.113 -11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.791 6.755 -14.693 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.114 7.467 -15.623 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.179 8.001 -12.869 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.979 8.152 -14.617 1.00 0.00 H new ATOM 1311 N PRO A 91 4.101 7.327 -7.064 1.00 0.00 N ATOM 1312 CA PRO A 91 3.367 8.465 -6.491 1.00 0.00 C ATOM 1313 C PRO A 91 3.841 9.842 -6.978 1.00 0.00 C ATOM 1314 O PRO A 91 3.006 10.693 -7.277 1.00 0.00 O ATOM 1315 CB PRO A 91 3.502 8.336 -4.971 1.00 0.00 C ATOM 1316 CG PRO A 91 4.700 7.411 -4.770 1.00 0.00 C ATOM 1317 CD PRO A 91 4.652 6.502 -5.999 1.00 0.00 C ATOM 0 HA PRO A 91 2.329 8.420 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.667 9.307 -4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.599 7.918 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.635 7.969 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.618 6.841 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.646 6.137 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.029 5.626 -5.817 1.00 0.00 H new ATOM 1322 N GLY A 92 5.155 10.078 -7.062 1.00 0.00 N ATOM 1323 CA GLY A 92 5.750 11.319 -7.586 1.00 0.00 C ATOM 1324 C GLY A 92 5.733 12.490 -6.597 1.00 0.00 C ATOM 1325 O GLY A 92 6.769 13.118 -6.377 1.00 0.00 O ATOM 0 H GLY A 92 5.853 9.398 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.781 11.119 -7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.214 11.613 -8.489 1.00 0.00 H new ATOM 1329 N SER A 93 4.581 12.773 -5.984 1.00 0.00 N ATOM 1330 CA SER A 93 4.404 13.807 -4.953 1.00 0.00 C ATOM 1331 C SER A 93 3.128 13.585 -4.135 1.00 0.00 C ATOM 1332 O SER A 93 2.154 12.992 -4.612 1.00 0.00 O ATOM 1333 CB SER A 93 4.383 15.206 -5.573 1.00 0.00 C ATOM 1334 OG SER A 93 4.545 16.195 -4.564 1.00 0.00 O ATOM 0 H SER A 93 3.716 12.275 -6.196 1.00 0.00 H new ATOM 0 HA SER A 93 5.258 13.729 -4.280 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.180 15.296 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.442 15.364 -6.099 1.00 0.00 H new ATOM 0 HG SER A 93 4.532 17.085 -4.973 1.00 0.00 H new ATOM 1339 N ALA A 94 3.121 14.111 -2.905 1.00 0.00 N ATOM 1340 CA ALA A 94 2.040 13.982 -1.930 1.00 0.00 C ATOM 1341 C ALA A 94 0.678 14.392 -2.496 1.00 0.00 C ATOM 1342 O ALA A 94 -0.314 13.739 -2.200 1.00 0.00 O ATOM 1343 CB ALA A 94 2.430 14.828 -0.715 1.00 0.00 C ATOM 0 H ALA A 94 3.903 14.661 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 94 1.919 12.936 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.648 14.761 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.368 14.459 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.552 15.868 -1.019 1.00 0.00 H new ATOM 1349 N SER A 95 0.621 15.380 -3.391 1.00 0.00 N ATOM 1350 CA SER A 95 -0.614 15.822 -4.047 1.00 0.00 C ATOM 1351 C SER A 95 -1.336 14.705 -4.823 1.00 0.00 C ATOM 1352 O SER A 95 -2.561 14.742 -4.915 1.00 0.00 O ATOM 1353 CB SER A 95 -0.310 16.984 -5.006 1.00 0.00 C ATOM 1354 OG SER A 95 0.427 18.024 -4.372 1.00 0.00 O ATOM 0 H SER A 95 1.444 15.905 -3.686 1.00 0.00 H new ATOM 0 HA SER A 95 -1.284 16.140 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.254 16.610 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.245 17.388 -5.393 1.00 0.00 H new ATOM 0 HG SER A 95 0.601 18.742 -5.016 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.613 13.697 -5.336 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.198 12.532 -6.028 1.00 0.00 C ATOM 1361 C VAL A 96 -1.621 11.453 -5.023 1.00 0.00 C ATOM 1362 O VAL A 96 -2.699 10.862 -5.155 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.184 11.943 -7.042 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.743 10.726 -7.794 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.249 13.002 -8.077 1.00 0.00 C ATOM 0 H VAL A 96 0.405 13.665 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.084 12.868 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 96 0.675 11.624 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.007 10.353 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.997 9.942 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.637 11.018 -8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.960 12.560 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.625 13.354 -8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.718 13.841 -7.564 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.792 11.210 -4.000 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.034 10.191 -2.980 1.00 0.00 C ATOM 1377 C LEU A 97 -2.201 10.579 -2.057 1.00 0.00 C ATOM 1378 O LEU A 97 -3.135 9.799 -1.905 1.00 0.00 O ATOM 1379 CB LEU A 97 0.286 9.920 -2.221 1.00 0.00 C ATOM 1380 CG LEU A 97 0.647 8.415 -2.197 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.985 8.158 -1.517 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.477 7.659 -1.496 1.00 0.00 C ATOM 0 H LEU A 97 0.077 11.725 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.347 9.260 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.095 10.479 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.197 10.287 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 97 0.752 8.061 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.197 7.089 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.773 8.687 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.944 8.514 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.239 6.596 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.586 8.032 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.410 7.809 -2.039 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.179 11.795 -1.508 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.267 12.373 -0.710 1.00 0.00 C ATOM 1395 C GLU A 98 -4.614 12.353 -1.450 1.00 0.00 C ATOM 1396 O GLU A 98 -5.612 11.926 -0.873 1.00 0.00 O ATOM 1397 CB GLU A 98 -2.924 13.817 -0.304 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.736 13.927 0.669 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.410 15.382 1.065 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.663 16.326 0.277 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -0.885 15.592 2.183 1.00 0.00 O ATOM 0 H GLU A 98 -1.382 12.424 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.370 11.752 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.700 14.393 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.801 14.273 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.957 13.353 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.856 13.476 0.211 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.635 12.751 -2.730 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.832 12.743 -3.586 1.00 0.00 C ATOM 1408 C GLU A 99 -6.491 11.364 -3.662 1.00 0.00 C ATOM 1409 O GLU A 99 -7.718 11.253 -3.648 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.453 13.235 -4.992 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.554 13.025 -6.039 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.304 13.865 -7.298 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.762 15.033 -7.360 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.667 13.359 -8.255 1.00 0.00 O ATOM 0 H GLU A 99 -3.803 13.095 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.566 13.414 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.210 14.296 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.551 12.716 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.604 11.970 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.520 13.290 -5.610 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.699 10.296 -3.732 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.231 8.942 -3.680 1.00 0.00 C ATOM 1421 C ALA A 100 -6.651 8.545 -2.254 1.00 0.00 C ATOM 1422 O ALA A 100 -7.683 7.902 -2.082 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.182 7.995 -4.257 1.00 0.00 C ATOM 0 H ALA A 100 -4.684 10.346 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.140 8.882 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.559 6.973 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.968 8.274 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.268 8.061 -3.667 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.921 8.954 -1.214 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.248 8.588 0.168 1.00 0.00 C ATOM 1431 C PHE A 101 -7.624 9.131 0.559 1.00 0.00 C ATOM 1432 O PHE A 101 -8.476 8.359 1.003 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.161 9.072 1.128 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.173 7.997 1.545 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.218 7.484 0.646 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.204 7.504 2.867 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.285 6.529 1.078 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.272 6.542 3.292 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.308 6.060 2.396 1.00 0.00 C ATOM 0 H PHE A 101 -5.093 9.543 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.289 7.501 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.614 9.889 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.636 9.479 2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.204 7.826 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.950 7.869 3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.544 6.153 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.298 6.175 4.307 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.584 5.328 2.722 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.881 10.420 0.331 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.208 11.012 0.577 1.00 0.00 C ATOM 1450 C GLU A 102 -10.304 10.347 -0.262 1.00 0.00 C ATOM 1451 O GLU A 102 -11.403 10.090 0.227 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.233 12.542 0.394 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.558 13.119 -0.841 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.254 14.389 -1.358 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -9.160 15.447 -0.687 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -9.876 14.347 -2.442 1.00 0.00 O ATOM 0 H GLU A 102 -7.189 11.080 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.421 10.814 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.275 12.862 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.768 12.992 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.518 13.349 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.549 12.367 -1.630 1.00 0.00 H new ATOM 1461 N SER A 103 -9.995 9.989 -1.503 1.00 0.00 N ATOM 1462 CA SER A 103 -10.932 9.329 -2.407 1.00 0.00 C ATOM 1463 C SER A 103 -11.346 7.914 -1.941 1.00 0.00 C ATOM 1464 O SER A 103 -12.447 7.464 -2.277 1.00 0.00 O ATOM 1465 CB SER A 103 -10.306 9.270 -3.803 1.00 0.00 C ATOM 1466 OG SER A 103 -10.232 10.552 -4.405 1.00 0.00 O ATOM 0 H SER A 103 -9.076 10.150 -1.915 1.00 0.00 H new ATOM 0 HA SER A 103 -11.850 9.917 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.305 8.843 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.893 8.605 -4.436 1.00 0.00 H new ATOM 0 HG SER A 103 -9.311 10.884 -4.355 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.504 7.226 -1.152 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.757 5.858 -0.663 1.00 0.00 C ATOM 1473 C LEU A 104 -11.122 5.796 0.827 1.00 0.00 C ATOM 1474 O LEU A 104 -11.823 4.868 1.238 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.557 4.952 -0.986 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.428 4.485 -2.457 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.782 4.063 -3.045 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.778 5.502 -3.396 1.00 0.00 C ATOM 0 H LEU A 104 -9.615 7.609 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.637 5.491 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.644 5.482 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.614 4.069 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.758 3.627 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.646 3.743 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.192 3.239 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.471 4.907 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.730 5.088 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.370 6.417 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.770 5.726 -3.048 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.710 6.782 1.620 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.174 6.958 3.003 1.00 0.00 C ATOM 1491 C VAL A 105 -12.657 7.373 3.036 1.00 0.00 C ATOM 1492 O VAL A 105 -13.363 7.048 3.987 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.271 7.968 3.758 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.743 9.423 3.662 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.121 7.609 5.231 1.00 0.00 C ATOM 0 H VAL A 105 -10.039 7.490 1.323 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.097 6.002 3.520 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.309 7.892 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.058 10.065 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.763 9.731 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.744 9.510 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.481 8.343 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.102 7.608 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.673 6.619 5.321 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.123 8.053 1.971 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.493 8.544 1.800 1.00 0.00 C ATOM 1507 C GLY A 106 -14.656 10.059 1.987 1.00 0.00 C ATOM 1508 O GLY A 106 -15.784 10.530 2.150 1.00 0.00 O ATOM 0 H GLY A 106 -12.526 8.282 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.840 8.275 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.140 8.031 2.512 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.554 10.817 1.969 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.508 12.280 2.112 1.00 0.00 C ATOM 1514 C GLU A 107 -13.419 13.029 0.764 1.00 0.00 C ATOM 1515 O GLU A 107 -13.510 14.256 0.739 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.319 12.645 3.025 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.627 12.435 4.510 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.646 13.453 5.046 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.287 14.633 5.237 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.807 13.067 5.320 1.00 0.00 O ATOM 0 H GLU A 107 -12.626 10.410 1.849 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.449 12.603 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.455 12.041 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.045 13.687 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.012 11.426 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.704 12.512 5.084 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.250 12.316 -0.362 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.075 12.891 -1.702 1.00 0.00 C ATOM 1527 C GLY A 108 -14.311 13.635 -2.219 1.00 0.00 C ATOM 1528 O GLY A 108 -15.452 13.301 -1.896 1.00 0.00 O ATOM 0 H GLY A 108 -13.231 11.296 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.229 13.578 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.824 12.093 -2.400 1.00 0.00 H new