USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1061 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 79 MET CE :methyl -122:sc= -0.236 (180deg=-2.61!) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -3.08! K(o=-3.3!,f=-2.2) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.91 K(o=-4.2,f=-2.7) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.3! K(o=-4.2!,f=-2.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 65:sc= 0.354 USER MOD Single : A 25 SER OG : rot -32:sc= 0.669 USER MOD Single : A 28 HIS : no HE2:sc= 0.698 K(o=0.7,f=-2.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.135 USER MOD Single : A 45 HIS : no HD1:sc= -0.0972 X(o=-0.097,f=-0.51) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 57 THR OG1 : rot -83:sc= 0.583 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 111:sc= 0.754 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.0869 K(o=0.087,f=-7.1!) USER MOD Single : A 102 HIS : no HD1:sc= -0.0656 K(o=-0.066,f=-1.4) USER MOD Single : A 103 CYS SG : rot 89:sc= -4.28! USER MOD Single : A 104 THR OG1 : rot -170:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 152:sc=-0.00751 (180deg=-0.615) USER MOD Single : A 113 CYS SG : rot 180:sc= -2.28! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : A 141 TYR OH : rot -36:sc= 0.258 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -2.635 14.017 9.716 1.00 73.34 N ATOM 21 CA ALA A 2 -2.521 13.481 8.341 1.00 50.20 C ATOM 22 C ALA A 2 -2.171 11.969 8.364 1.00 13.32 C ATOM 23 O ALA A 2 -1.008 11.565 8.223 1.00 14.52 O ATOM 24 CB ALA A 2 -1.500 14.303 7.524 1.00 52.42 C ATOM 0 HA ALA A 2 -3.487 13.576 7.846 1.00 50.20 H new ATOM 0 HB1 ALA A 2 -1.428 13.895 6.516 1.00 52.42 H new ATOM 0 HB2 ALA A 2 -1.826 15.342 7.473 1.00 52.42 H new ATOM 0 HB3 ALA A 2 -0.524 14.253 8.006 1.00 52.42 H new ATOM 30 N THR A 3 -3.210 11.144 8.608 1.00 31.40 N ATOM 31 CA THR A 3 -3.129 9.665 8.556 1.00 61.45 C ATOM 32 C THR A 3 -4.260 9.115 7.654 1.00 50.12 C ATOM 33 O THR A 3 -5.446 9.281 7.944 1.00 10.42 O ATOM 34 CB THR A 3 -3.192 9.023 9.988 1.00 1.14 C ATOM 35 OG1 THR A 3 -2.071 9.479 10.773 1.00 62.31 O ATOM 36 CG2 THR A 3 -3.172 7.482 9.944 1.00 24.13 C ATOM 0 H THR A 3 -4.140 11.487 8.849 1.00 31.40 H new ATOM 0 HA THR A 3 -2.164 9.392 8.130 1.00 61.45 H new ATOM 0 HB THR A 3 -4.135 9.335 10.438 1.00 1.14 H new ATOM 0 HG1 THR A 3 -2.113 9.079 11.667 1.00 62.31 H new ATOM 0 HG21 THR A 3 -3.217 7.088 10.959 1.00 24.13 H new ATOM 0 HG22 THR A 3 -4.031 7.123 9.377 1.00 24.13 H new ATOM 0 HG23 THR A 3 -2.254 7.144 9.464 1.00 24.13 H new ATOM 44 N LEU A 4 -3.852 8.470 6.552 1.00 43.02 N ATOM 45 CA LEU A 4 -4.732 8.061 5.435 1.00 5.14 C ATOM 46 C LEU A 4 -4.899 6.532 5.445 1.00 31.22 C ATOM 47 O LEU A 4 -3.962 5.812 5.115 1.00 5.12 O ATOM 48 CB LEU A 4 -4.113 8.520 4.081 1.00 55.32 C ATOM 49 CG LEU A 4 -4.228 10.036 3.702 1.00 54.45 C ATOM 50 CD1 LEU A 4 -3.617 10.984 4.750 1.00 12.44 C ATOM 51 CD2 LEU A 4 -3.584 10.283 2.333 1.00 4.23 C ATOM 0 H LEU A 4 -2.877 8.209 6.404 1.00 43.02 H new ATOM 0 HA LEU A 4 -5.709 8.529 5.554 1.00 5.14 H new ATOM 0 HB2 LEU A 4 -3.055 8.256 4.090 1.00 55.32 H new ATOM 0 HB3 LEU A 4 -4.580 7.939 3.285 1.00 55.32 H new ATOM 0 HG LEU A 4 -5.293 10.264 3.667 1.00 54.45 H new ATOM 0 HD11 LEU A 4 -3.734 12.016 4.419 1.00 12.44 H new ATOM 0 HD12 LEU A 4 -4.127 10.849 5.704 1.00 12.44 H new ATOM 0 HD13 LEU A 4 -2.557 10.759 4.870 1.00 12.44 H new ATOM 0 HD21 LEU A 4 -3.668 11.339 2.077 1.00 4.23 H new ATOM 0 HD22 LEU A 4 -2.532 10.001 2.370 1.00 4.23 H new ATOM 0 HD23 LEU A 4 -4.094 9.685 1.578 1.00 4.23 H new ATOM 63 N ARG A 5 -6.094 6.037 5.797 1.00 11.51 N ATOM 64 CA ARG A 5 -6.320 4.587 5.997 1.00 64.24 C ATOM 65 C ARG A 5 -7.551 4.074 5.215 1.00 25.11 C ATOM 66 O ARG A 5 -8.617 4.703 5.204 1.00 23.52 O ATOM 67 CB ARG A 5 -6.440 4.286 7.513 1.00 52.15 C ATOM 68 CG ARG A 5 -6.654 2.795 7.865 1.00 15.04 C ATOM 69 CD ARG A 5 -6.553 2.527 9.377 1.00 25.23 C ATOM 70 NE ARG A 5 -7.472 3.372 10.165 1.00 24.35 N ATOM 71 CZ ARG A 5 -7.624 3.320 11.469 1.00 70.12 C ATOM 72 NH1 ARG A 5 -7.014 2.426 12.189 1.00 20.13 N ATOM 73 NH2 ARG A 5 -8.411 4.163 12.050 1.00 52.30 N ATOM 0 H ARG A 5 -6.922 6.613 5.950 1.00 11.51 H new ATOM 0 HA ARG A 5 -5.462 4.048 5.596 1.00 64.24 H new ATOM 0 HB2 ARG A 5 -5.536 4.636 8.011 1.00 52.15 H new ATOM 0 HB3 ARG A 5 -7.271 4.863 7.919 1.00 52.15 H new ATOM 0 HG2 ARG A 5 -7.633 2.477 7.507 1.00 15.04 H new ATOM 0 HG3 ARG A 5 -5.913 2.191 7.342 1.00 15.04 H new ATOM 0 HD2 ARG A 5 -6.773 1.477 9.572 1.00 25.23 H new ATOM 0 HD3 ARG A 5 -5.529 2.705 9.706 1.00 25.23 H new ATOM 0 HE ARG A 5 -8.035 4.052 9.655 1.00 24.35 H new ATOM 0 HH11 ARG A 5 -6.401 1.744 11.743 1.00 20.13 H new ATOM 0 HH12 ARG A 5 -7.149 2.407 13.200 1.00 20.13 H new ATOM 0 HH21 ARG A 5 -8.908 4.861 11.497 1.00 52.30 H new ATOM 0 HH22 ARG A 5 -8.536 4.131 13.062 1.00 52.30 H new ATOM 87 N ARG A 6 -7.371 2.916 4.553 1.00 50.54 N ATOM 88 CA ARG A 6 -8.418 2.218 3.776 1.00 4.11 C ATOM 89 C ARG A 6 -8.400 0.708 4.075 1.00 71.31 C ATOM 90 O ARG A 6 -7.374 0.158 4.475 1.00 74.52 O ATOM 91 CB ARG A 6 -8.230 2.456 2.248 1.00 21.15 C ATOM 92 CG ARG A 6 -8.651 3.848 1.749 1.00 74.42 C ATOM 93 CD ARG A 6 -10.162 4.111 1.914 1.00 74.51 C ATOM 94 NE ARG A 6 -10.553 5.444 1.421 1.00 5.15 N ATOM 95 CZ ARG A 6 -10.556 6.550 2.130 1.00 12.20 C ATOM 96 NH1 ARG A 6 -10.184 6.570 3.378 1.00 2.43 N ATOM 97 NH2 ARG A 6 -10.931 7.646 1.568 1.00 33.42 N ATOM 0 H ARG A 6 -6.476 2.427 4.542 1.00 50.54 H new ATOM 0 HA ARG A 6 -9.383 2.627 4.076 1.00 4.11 H new ATOM 0 HB2 ARG A 6 -7.181 2.299 1.998 1.00 21.15 H new ATOM 0 HB3 ARG A 6 -8.803 1.704 1.706 1.00 21.15 H new ATOM 0 HG2 ARG A 6 -8.093 4.609 2.295 1.00 74.42 H new ATOM 0 HG3 ARG A 6 -8.382 3.949 0.697 1.00 74.42 H new ATOM 0 HD2 ARG A 6 -10.723 3.347 1.375 1.00 74.51 H new ATOM 0 HD3 ARG A 6 -10.432 4.021 2.966 1.00 74.51 H new ATOM 0 HE ARG A 6 -10.846 5.514 0.447 1.00 5.15 H new ATOM 0 HH11 ARG A 6 -9.878 5.710 3.833 1.00 2.43 H new ATOM 0 HH12 ARG A 6 -10.198 7.446 3.900 1.00 2.43 H new ATOM 0 HH21 ARG A 6 -11.219 7.645 0.589 1.00 33.42 H new ATOM 0 HH22 ARG A 6 -10.940 8.515 2.101 1.00 33.42 H new ATOM 111 N SER A 7 -9.550 0.062 3.853 1.00 2.40 N ATOM 112 CA SER A 7 -9.731 -1.398 4.023 1.00 73.30 C ATOM 113 C SER A 7 -10.691 -1.924 2.934 1.00 32.11 C ATOM 114 O SER A 7 -11.526 -1.164 2.422 1.00 50.31 O ATOM 115 CB SER A 7 -10.288 -1.712 5.431 1.00 4.12 C ATOM 116 OG SER A 7 -11.576 -1.141 5.624 1.00 74.32 O ATOM 0 H SER A 7 -10.398 0.539 3.546 1.00 2.40 H new ATOM 0 HA SER A 7 -8.766 -1.894 3.921 1.00 73.30 H new ATOM 0 HB2 SER A 7 -10.344 -2.792 5.568 1.00 4.12 H new ATOM 0 HB3 SER A 7 -9.603 -1.330 6.188 1.00 4.12 H new ATOM 0 HG SER A 7 -11.899 -1.360 6.523 1.00 74.32 H new ATOM 122 N VAL A 8 -10.578 -3.219 2.577 1.00 64.04 N ATOM 123 CA VAL A 8 -11.398 -3.814 1.492 1.00 53.31 C ATOM 124 C VAL A 8 -11.662 -5.325 1.738 1.00 62.23 C ATOM 125 O VAL A 8 -10.822 -6.019 2.308 1.00 65.12 O ATOM 126 CB VAL A 8 -10.687 -3.593 0.098 1.00 4.52 C ATOM 127 CG1 VAL A 8 -9.428 -4.489 -0.068 1.00 32.44 C ATOM 128 CG2 VAL A 8 -11.675 -3.757 -1.082 1.00 75.15 C ATOM 0 H VAL A 8 -9.932 -3.873 3.019 1.00 64.04 H new ATOM 0 HA VAL A 8 -12.365 -3.312 1.484 1.00 53.31 H new ATOM 0 HB VAL A 8 -10.338 -2.561 0.082 1.00 4.52 H new ATOM 0 HG11 VAL A 8 -8.974 -4.302 -1.041 1.00 32.44 H new ATOM 0 HG12 VAL A 8 -8.710 -4.257 0.718 1.00 32.44 H new ATOM 0 HG13 VAL A 8 -9.716 -5.538 0.002 1.00 32.44 H new ATOM 0 HG21 VAL A 8 -11.148 -3.597 -2.023 1.00 75.15 H new ATOM 0 HG22 VAL A 8 -12.095 -4.763 -1.068 1.00 75.15 H new ATOM 0 HG23 VAL A 8 -12.479 -3.027 -0.988 1.00 75.15 H new ATOM 138 N GLU A 9 -12.836 -5.819 1.300 1.00 72.03 N ATOM 139 CA GLU A 9 -13.196 -7.252 1.389 1.00 23.42 C ATOM 140 C GLU A 9 -12.685 -8.018 0.147 1.00 3.22 C ATOM 141 O GLU A 9 -13.081 -7.724 -0.987 1.00 24.11 O ATOM 142 CB GLU A 9 -14.730 -7.425 1.536 1.00 64.34 C ATOM 143 CG GLU A 9 -15.313 -6.874 2.854 1.00 52.33 C ATOM 144 CD GLU A 9 -16.813 -7.179 3.018 1.00 55.24 C ATOM 145 OE1 GLU A 9 -17.156 -8.306 3.448 1.00 20.24 O ATOM 146 OE2 GLU A 9 -17.659 -6.311 2.681 1.00 35.24 O ATOM 0 H GLU A 9 -13.561 -5.240 0.876 1.00 72.03 H new ATOM 0 HA GLU A 9 -12.717 -7.668 2.275 1.00 23.42 H new ATOM 0 HB2 GLU A 9 -15.221 -6.927 0.700 1.00 64.34 H new ATOM 0 HB3 GLU A 9 -14.972 -8.485 1.462 1.00 64.34 H new ATOM 0 HG2 GLU A 9 -14.766 -7.302 3.694 1.00 52.33 H new ATOM 0 HG3 GLU A 9 -15.160 -5.795 2.890 1.00 52.33 H new ATOM 153 N VAL A 10 -11.800 -8.992 0.392 1.00 0.03 N ATOM 154 CA VAL A 10 -11.147 -9.814 -0.646 1.00 21.13 C ATOM 155 C VAL A 10 -11.664 -11.271 -0.575 1.00 54.14 C ATOM 156 O VAL A 10 -11.544 -11.926 0.471 1.00 11.40 O ATOM 157 CB VAL A 10 -9.588 -9.796 -0.449 1.00 51.25 C ATOM 158 CG1 VAL A 10 -8.868 -10.593 -1.561 1.00 61.23 C ATOM 159 CG2 VAL A 10 -9.066 -8.342 -0.380 1.00 3.33 C ATOM 0 H VAL A 10 -11.508 -9.240 1.337 1.00 0.03 H new ATOM 0 HA VAL A 10 -11.388 -9.397 -1.624 1.00 21.13 H new ATOM 0 HB VAL A 10 -9.364 -10.286 0.499 1.00 51.25 H new ATOM 0 HG11 VAL A 10 -7.791 -10.560 -1.394 1.00 61.23 H new ATOM 0 HG12 VAL A 10 -9.206 -11.629 -1.543 1.00 61.23 H new ATOM 0 HG13 VAL A 10 -9.098 -10.153 -2.531 1.00 61.23 H new ATOM 0 HG21 VAL A 10 -7.985 -8.350 -0.243 1.00 3.33 H new ATOM 0 HG22 VAL A 10 -9.311 -7.823 -1.307 1.00 3.33 H new ATOM 0 HG23 VAL A 10 -9.534 -7.827 0.459 1.00 3.33 H new ATOM 169 N ALA A 11 -12.252 -11.760 -1.681 1.00 35.41 N ATOM 170 CA ALA A 11 -12.686 -13.168 -1.811 1.00 25.21 C ATOM 171 C ALA A 11 -11.475 -14.102 -2.087 1.00 31.43 C ATOM 172 O ALA A 11 -11.287 -14.575 -3.212 1.00 52.50 O ATOM 173 CB ALA A 11 -13.755 -13.271 -2.916 1.00 1.23 C ATOM 0 H ALA A 11 -12.441 -11.195 -2.509 1.00 35.41 H new ATOM 0 HA ALA A 11 -13.127 -13.499 -0.871 1.00 25.21 H new ATOM 0 HB1 ALA A 11 -14.077 -14.308 -3.015 1.00 1.23 H new ATOM 0 HB2 ALA A 11 -14.610 -12.648 -2.654 1.00 1.23 H new ATOM 0 HB3 ALA A 11 -13.334 -12.930 -3.862 1.00 1.23 H new ATOM 179 N ALA A 12 -10.648 -14.329 -1.043 1.00 20.15 N ATOM 180 CA ALA A 12 -9.399 -15.126 -1.141 1.00 60.34 C ATOM 181 C ALA A 12 -8.755 -15.327 0.251 1.00 64.40 C ATOM 182 O ALA A 12 -8.990 -14.520 1.162 1.00 54.40 O ATOM 183 CB ALA A 12 -8.386 -14.438 -2.072 1.00 71.22 C ATOM 0 H ALA A 12 -10.825 -13.966 -0.107 1.00 20.15 H new ATOM 0 HA ALA A 12 -9.665 -16.100 -1.552 1.00 60.34 H new ATOM 0 HB1 ALA A 12 -7.478 -15.039 -2.129 1.00 71.22 H new ATOM 0 HB2 ALA A 12 -8.818 -14.336 -3.068 1.00 71.22 H new ATOM 0 HB3 ALA A 12 -8.143 -13.451 -1.679 1.00 71.22 H new ATOM 189 N PRO A 13 -7.930 -16.408 0.433 1.00 54.23 N ATOM 190 CA PRO A 13 -7.098 -16.586 1.649 1.00 44.32 C ATOM 191 C PRO A 13 -6.051 -15.461 1.799 1.00 24.33 C ATOM 192 O PRO A 13 -5.428 -15.066 0.804 1.00 24.23 O ATOM 193 CB PRO A 13 -6.393 -17.956 1.426 1.00 15.34 C ATOM 194 CG PRO A 13 -7.204 -18.644 0.371 1.00 25.11 C ATOM 195 CD PRO A 13 -7.744 -17.546 -0.510 1.00 3.21 C ATOM 0 HA PRO A 13 -7.697 -16.553 2.559 1.00 44.32 H new ATOM 0 HB2 PRO A 13 -5.361 -17.820 1.104 1.00 15.34 H new ATOM 0 HB3 PRO A 13 -6.366 -18.540 2.346 1.00 15.34 H new ATOM 0 HG2 PRO A 13 -6.591 -19.340 -0.202 1.00 25.11 H new ATOM 0 HG3 PRO A 13 -8.013 -19.223 0.815 1.00 25.11 H new ATOM 0 HD2 PRO A 13 -7.049 -17.295 -1.311 1.00 3.21 H new ATOM 0 HD3 PRO A 13 -8.683 -17.835 -0.982 1.00 3.21 H new ATOM 203 N ALA A 14 -5.861 -14.960 3.037 1.00 33.12 N ATOM 204 CA ALA A 14 -4.819 -13.954 3.362 1.00 15.20 C ATOM 205 C ALA A 14 -3.401 -14.375 2.902 1.00 55.53 C ATOM 206 O ALA A 14 -2.560 -13.520 2.709 1.00 24.13 O ATOM 207 CB ALA A 14 -4.833 -13.653 4.871 1.00 72.05 C ATOM 0 H ALA A 14 -6.423 -15.239 3.841 1.00 33.12 H new ATOM 0 HA ALA A 14 -5.064 -13.050 2.805 1.00 15.20 H new ATOM 0 HB1 ALA A 14 -4.066 -12.914 5.102 1.00 72.05 H new ATOM 0 HB2 ALA A 14 -5.810 -13.262 5.155 1.00 72.05 H new ATOM 0 HB3 ALA A 14 -4.633 -14.569 5.427 1.00 72.05 H new ATOM 213 N ALA A 15 -3.153 -15.693 2.769 1.00 62.21 N ATOM 214 CA ALA A 15 -1.888 -16.232 2.205 1.00 13.50 C ATOM 215 C ALA A 15 -1.709 -15.891 0.708 1.00 65.44 C ATOM 216 O ALA A 15 -0.651 -15.394 0.310 1.00 3.44 O ATOM 217 CB ALA A 15 -1.811 -17.751 2.415 1.00 62.33 C ATOM 0 H ALA A 15 -3.817 -16.416 3.047 1.00 62.21 H new ATOM 0 HA ALA A 15 -1.073 -15.749 2.743 1.00 13.50 H new ATOM 0 HB1 ALA A 15 -0.879 -18.129 1.996 1.00 62.33 H new ATOM 0 HB2 ALA A 15 -1.846 -17.973 3.482 1.00 62.33 H new ATOM 0 HB3 ALA A 15 -2.654 -18.230 1.917 1.00 62.33 H new ATOM 223 N ASP A 16 -2.732 -16.207 -0.121 1.00 24.25 N ATOM 224 CA ASP A 16 -2.749 -15.855 -1.567 1.00 3.02 C ATOM 225 C ASP A 16 -2.553 -14.334 -1.787 1.00 20.22 C ATOM 226 O ASP A 16 -1.829 -13.911 -2.698 1.00 31.10 O ATOM 227 CB ASP A 16 -4.081 -16.320 -2.215 1.00 63.35 C ATOM 228 CG ASP A 16 -4.216 -17.851 -2.303 1.00 71.44 C ATOM 229 OD1 ASP A 16 -4.224 -18.524 -1.250 1.00 21.14 O ATOM 230 OD2 ASP A 16 -4.328 -18.395 -3.427 1.00 71.21 O ATOM 0 H ASP A 16 -3.564 -16.709 0.187 1.00 24.25 H new ATOM 0 HA ASP A 16 -1.916 -16.371 -2.044 1.00 3.02 H new ATOM 0 HB2 ASP A 16 -4.916 -15.922 -1.638 1.00 63.35 H new ATOM 0 HB3 ASP A 16 -4.156 -15.898 -3.217 1.00 63.35 H new ATOM 235 N VAL A 17 -3.193 -13.528 -0.919 1.00 24.42 N ATOM 236 CA VAL A 17 -3.107 -12.054 -0.959 1.00 21.10 C ATOM 237 C VAL A 17 -1.732 -11.558 -0.427 1.00 55.44 C ATOM 238 O VAL A 17 -1.194 -10.559 -0.905 1.00 32.33 O ATOM 239 CB VAL A 17 -4.275 -11.395 -0.132 1.00 22.13 C ATOM 240 CG1 VAL A 17 -4.303 -9.861 -0.338 1.00 14.14 C ATOM 241 CG2 VAL A 17 -5.646 -12.029 -0.492 1.00 52.53 C ATOM 0 H VAL A 17 -3.786 -13.881 -0.168 1.00 24.42 H new ATOM 0 HA VAL A 17 -3.205 -11.750 -2.001 1.00 21.10 H new ATOM 0 HB VAL A 17 -4.086 -11.590 0.924 1.00 22.13 H new ATOM 0 HG11 VAL A 17 -5.118 -9.431 0.244 1.00 14.14 H new ATOM 0 HG12 VAL A 17 -3.357 -9.432 -0.009 1.00 14.14 H new ATOM 0 HG13 VAL A 17 -4.454 -9.638 -1.394 1.00 14.14 H new ATOM 0 HG21 VAL A 17 -6.432 -11.554 0.095 1.00 52.53 H new ATOM 0 HG22 VAL A 17 -5.847 -11.883 -1.553 1.00 52.53 H new ATOM 0 HG23 VAL A 17 -5.623 -13.096 -0.270 1.00 52.53 H new ATOM 251 N TRP A 18 -1.178 -12.271 0.580 1.00 24.12 N ATOM 252 CA TRP A 18 0.138 -11.937 1.192 1.00 5.00 C ATOM 253 C TRP A 18 1.307 -12.223 0.213 1.00 43.31 C ATOM 254 O TRP A 18 2.355 -11.600 0.300 1.00 0.52 O ATOM 255 CB TRP A 18 0.342 -12.675 2.554 1.00 21.12 C ATOM 256 CG TRP A 18 1.613 -12.294 3.293 1.00 14.54 C ATOM 257 CD1 TRP A 18 2.610 -13.132 3.727 1.00 42.15 C ATOM 258 CD2 TRP A 18 2.036 -10.960 3.648 1.00 31.44 C ATOM 259 NE1 TRP A 18 3.611 -12.408 4.321 1.00 63.14 N ATOM 260 CE2 TRP A 18 3.286 -11.076 4.283 1.00 52.42 C ATOM 261 CE3 TRP A 18 1.477 -9.681 3.489 1.00 13.14 C ATOM 262 CZ2 TRP A 18 3.991 -9.968 4.746 1.00 42.21 C ATOM 263 CZ3 TRP A 18 2.177 -8.584 3.950 1.00 60.55 C ATOM 264 CH2 TRP A 18 3.423 -8.736 4.571 1.00 30.31 C ATOM 0 H TRP A 18 -1.624 -13.090 0.993 1.00 24.12 H new ATOM 0 HA TRP A 18 0.137 -10.867 1.399 1.00 5.00 H new ATOM 0 HB2 TRP A 18 -0.513 -12.467 3.197 1.00 21.12 H new ATOM 0 HB3 TRP A 18 0.351 -13.750 2.373 1.00 21.12 H new ATOM 0 HD1 TRP A 18 2.606 -14.206 3.616 1.00 42.15 H new ATOM 0 HE1 TRP A 18 4.462 -12.798 4.727 1.00 63.14 H new ATOM 0 HE3 TRP A 18 0.515 -9.558 3.014 1.00 13.14 H new ATOM 0 HZ2 TRP A 18 4.952 -10.077 5.226 1.00 42.21 H new ATOM 0 HZ3 TRP A 18 1.758 -7.596 3.830 1.00 60.55 H new ATOM 0 HH2 TRP A 18 3.948 -7.859 4.920 1.00 30.31 H new ATOM 275 N THR A 19 1.122 -13.183 -0.704 1.00 31.22 N ATOM 276 CA THR A 19 2.074 -13.419 -1.824 1.00 3.10 C ATOM 277 C THR A 19 2.136 -12.187 -2.779 1.00 72.35 C ATOM 278 O THR A 19 3.170 -11.899 -3.392 1.00 12.53 O ATOM 279 CB THR A 19 1.660 -14.693 -2.639 1.00 54.24 C ATOM 280 OG1 THR A 19 1.554 -15.822 -1.752 1.00 1.44 O ATOM 281 CG2 THR A 19 2.655 -15.034 -3.767 1.00 60.02 C ATOM 0 H THR A 19 0.322 -13.816 -0.701 1.00 31.22 H new ATOM 0 HA THR A 19 3.062 -13.574 -1.390 1.00 3.10 H new ATOM 0 HB THR A 19 0.699 -14.471 -3.104 1.00 54.24 H new ATOM 0 HG1 THR A 19 0.820 -15.673 -1.120 1.00 1.44 H new ATOM 0 HG21 THR A 19 2.315 -15.925 -4.295 1.00 60.02 H new ATOM 0 HG22 THR A 19 2.714 -14.199 -4.465 1.00 60.02 H new ATOM 0 HG23 THR A 19 3.640 -15.220 -3.339 1.00 60.02 H new ATOM 289 N LEU A 20 1.010 -11.459 -2.850 1.00 2.32 N ATOM 290 CA LEU A 20 0.805 -10.323 -3.771 1.00 33.02 C ATOM 291 C LEU A 20 1.337 -8.984 -3.172 1.00 32.34 C ATOM 292 O LEU A 20 2.183 -8.317 -3.783 1.00 5.11 O ATOM 293 CB LEU A 20 -0.715 -10.251 -4.089 1.00 24.10 C ATOM 294 CG LEU A 20 -1.196 -9.155 -5.082 1.00 55.24 C ATOM 295 CD1 LEU A 20 -0.559 -9.317 -6.475 1.00 5.03 C ATOM 296 CD2 LEU A 20 -2.734 -9.156 -5.176 1.00 23.13 C ATOM 0 H LEU A 20 0.200 -11.645 -2.259 1.00 2.32 H new ATOM 0 HA LEU A 20 1.374 -10.477 -4.688 1.00 33.02 H new ATOM 0 HB2 LEU A 20 -1.021 -11.219 -4.485 1.00 24.10 H new ATOM 0 HB3 LEU A 20 -1.248 -10.108 -3.149 1.00 24.10 H new ATOM 0 HG LEU A 20 -0.869 -8.191 -4.693 1.00 55.24 H new ATOM 0 HD11 LEU A 20 -0.924 -8.530 -7.136 1.00 5.03 H new ATOM 0 HD12 LEU A 20 0.525 -9.246 -6.390 1.00 5.03 H new ATOM 0 HD13 LEU A 20 -0.827 -10.290 -6.887 1.00 5.03 H new ATOM 0 HD21 LEU A 20 -3.056 -8.384 -5.875 1.00 23.13 H new ATOM 0 HD22 LEU A 20 -3.076 -10.129 -5.528 1.00 23.13 H new ATOM 0 HD23 LEU A 20 -3.159 -8.956 -4.192 1.00 23.13 H new ATOM 308 N VAL A 21 0.834 -8.603 -1.974 1.00 72.44 N ATOM 309 CA VAL A 21 1.252 -7.352 -1.275 1.00 14.12 C ATOM 310 C VAL A 21 2.541 -7.544 -0.435 1.00 63.24 C ATOM 311 O VAL A 21 3.264 -6.581 -0.183 1.00 12.04 O ATOM 312 CB VAL A 21 0.113 -6.779 -0.346 1.00 61.41 C ATOM 313 CG1 VAL A 21 -1.120 -6.356 -1.174 1.00 11.22 C ATOM 314 CG2 VAL A 21 -0.278 -7.784 0.769 1.00 33.55 C ATOM 0 H VAL A 21 0.135 -9.143 -1.465 1.00 72.44 H new ATOM 0 HA VAL A 21 1.457 -6.634 -2.069 1.00 14.12 H new ATOM 0 HB VAL A 21 0.509 -5.890 0.144 1.00 61.41 H new ATOM 0 HG11 VAL A 21 -1.889 -5.965 -0.508 1.00 11.22 H new ATOM 0 HG12 VAL A 21 -0.832 -5.584 -1.888 1.00 11.22 H new ATOM 0 HG13 VAL A 21 -1.511 -7.220 -1.712 1.00 11.22 H new ATOM 0 HG21 VAL A 21 -1.065 -7.353 1.388 1.00 33.55 H new ATOM 0 HG22 VAL A 21 -0.637 -8.708 0.316 1.00 33.55 H new ATOM 0 HG23 VAL A 21 0.593 -7.998 1.388 1.00 33.55 H new ATOM 324 N GLY A 22 2.807 -8.792 0.004 1.00 71.20 N ATOM 325 CA GLY A 22 4.011 -9.120 0.801 1.00 62.52 C ATOM 326 C GLY A 22 5.304 -9.195 -0.010 1.00 1.13 C ATOM 327 O GLY A 22 6.368 -9.494 0.545 1.00 53.34 O ATOM 0 H GLY A 22 2.203 -9.593 -0.180 1.00 71.20 H new ATOM 0 HA2 GLY A 22 4.130 -8.370 1.583 1.00 62.52 H new ATOM 0 HA3 GLY A 22 3.853 -10.077 1.299 1.00 62.52 H new ATOM 331 N ASP A 23 5.207 -8.948 -1.322 1.00 4.41 N ATOM 332 CA ASP A 23 6.357 -8.679 -2.198 1.00 64.32 C ATOM 333 C ASP A 23 6.417 -7.155 -2.511 1.00 24.24 C ATOM 334 O ASP A 23 5.447 -6.425 -2.271 1.00 63.33 O ATOM 335 CB ASP A 23 6.220 -9.531 -3.484 1.00 73.44 C ATOM 336 CG ASP A 23 7.465 -9.468 -4.383 1.00 14.03 C ATOM 337 OD1 ASP A 23 8.453 -10.164 -4.101 1.00 61.04 O ATOM 338 OD2 ASP A 23 7.473 -8.687 -5.346 1.00 70.51 O ATOM 0 H ASP A 23 4.314 -8.929 -1.814 1.00 4.41 H new ATOM 0 HA ASP A 23 7.291 -8.955 -1.709 1.00 64.32 H new ATOM 0 HB2 ASP A 23 6.031 -10.568 -3.207 1.00 73.44 H new ATOM 0 HB3 ASP A 23 5.353 -9.189 -4.049 1.00 73.44 H new ATOM 343 N PHE A 24 7.567 -6.665 -3.007 1.00 2.22 N ATOM 344 CA PHE A 24 7.755 -5.221 -3.318 1.00 52.24 C ATOM 345 C PHE A 24 7.461 -4.944 -4.814 1.00 31.24 C ATOM 346 O PHE A 24 6.745 -4.002 -5.150 1.00 55.42 O ATOM 347 CB PHE A 24 9.201 -4.765 -2.910 1.00 71.24 C ATOM 348 CG PHE A 24 9.315 -3.356 -2.299 1.00 52.22 C ATOM 349 CD1 PHE A 24 8.297 -2.832 -1.496 1.00 53.42 C ATOM 350 CD2 PHE A 24 10.456 -2.569 -2.501 1.00 74.31 C ATOM 351 CE1 PHE A 24 8.410 -1.576 -0.930 1.00 3.34 C ATOM 352 CE2 PHE A 24 10.562 -1.310 -1.932 1.00 31.42 C ATOM 353 CZ PHE A 24 9.538 -0.813 -1.150 1.00 3.43 C ATOM 0 H PHE A 24 8.385 -7.241 -3.204 1.00 2.22 H new ATOM 0 HA PHE A 24 7.045 -4.634 -2.735 1.00 52.24 H new ATOM 0 HB2 PHE A 24 9.599 -5.484 -2.194 1.00 71.24 H new ATOM 0 HB3 PHE A 24 9.838 -4.809 -3.794 1.00 71.24 H new ATOM 0 HD1 PHE A 24 7.408 -3.418 -1.315 1.00 53.42 H new ATOM 0 HD2 PHE A 24 11.264 -2.949 -3.109 1.00 74.31 H new ATOM 0 HE1 PHE A 24 7.612 -1.190 -0.313 1.00 3.34 H new ATOM 0 HE2 PHE A 24 11.448 -0.716 -2.101 1.00 31.42 H new ATOM 0 HZ PHE A 24 9.620 0.171 -0.712 1.00 3.43 H new ATOM 363 N SER A 25 7.972 -5.811 -5.701 1.00 43.12 N ATOM 364 CA SER A 25 7.853 -5.618 -7.179 1.00 13.22 C ATOM 365 C SER A 25 6.446 -5.995 -7.707 1.00 70.22 C ATOM 366 O SER A 25 6.018 -5.497 -8.746 1.00 5.21 O ATOM 367 CB SER A 25 8.928 -6.438 -7.939 1.00 71.12 C ATOM 368 OG SER A 25 8.693 -7.834 -7.861 1.00 23.10 O ATOM 0 H SER A 25 8.474 -6.657 -5.434 1.00 43.12 H new ATOM 0 HA SER A 25 8.013 -4.556 -7.365 1.00 13.22 H new ATOM 0 HB2 SER A 25 8.943 -6.132 -8.985 1.00 71.12 H new ATOM 0 HB3 SER A 25 9.912 -6.214 -7.527 1.00 71.12 H new ATOM 0 HG SER A 25 8.272 -8.047 -7.002 1.00 23.10 H new ATOM 374 N ALA A 26 5.691 -6.804 -6.936 1.00 42.01 N ATOM 375 CA ALA A 26 4.419 -7.420 -7.403 1.00 51.40 C ATOM 376 C ALA A 26 3.235 -6.425 -7.381 1.00 44.10 C ATOM 377 O ALA A 26 2.093 -6.800 -7.669 1.00 62.51 O ATOM 378 CB ALA A 26 4.102 -8.659 -6.551 1.00 33.14 C ATOM 0 H ALA A 26 5.938 -7.051 -5.978 1.00 42.01 H new ATOM 0 HA ALA A 26 4.557 -7.716 -8.443 1.00 51.40 H new ATOM 0 HB1 ALA A 26 3.170 -9.108 -6.895 1.00 33.14 H new ATOM 0 HB2 ALA A 26 4.911 -9.383 -6.647 1.00 33.14 H new ATOM 0 HB3 ALA A 26 3.999 -8.366 -5.506 1.00 33.14 H new ATOM 384 N ILE A 27 3.530 -5.148 -7.072 1.00 4.45 N ATOM 385 CA ILE A 27 2.520 -4.090 -6.972 1.00 42.31 C ATOM 386 C ILE A 27 1.887 -3.736 -8.350 1.00 31.43 C ATOM 387 O ILE A 27 0.725 -3.334 -8.411 1.00 20.11 O ATOM 388 CB ILE A 27 3.106 -2.812 -6.259 1.00 24.42 C ATOM 389 CG1 ILE A 27 1.943 -1.848 -5.874 1.00 11.10 C ATOM 390 CG2 ILE A 27 4.173 -2.111 -7.137 1.00 71.31 C ATOM 391 CD1 ILE A 27 2.299 -0.684 -4.969 1.00 40.02 C ATOM 0 H ILE A 27 4.479 -4.825 -6.885 1.00 4.45 H new ATOM 0 HA ILE A 27 1.712 -4.481 -6.353 1.00 42.31 H new ATOM 0 HB ILE A 27 3.614 -3.120 -5.345 1.00 24.42 H new ATOM 0 HG12 ILE A 27 1.514 -1.447 -6.792 1.00 11.10 H new ATOM 0 HG13 ILE A 27 1.163 -2.433 -5.387 1.00 11.10 H new ATOM 0 HG21 ILE A 27 4.555 -1.234 -6.614 1.00 71.31 H new ATOM 0 HG22 ILE A 27 4.993 -2.802 -7.335 1.00 71.31 H new ATOM 0 HG23 ILE A 27 3.723 -1.803 -8.081 1.00 71.31 H new ATOM 0 HD11 ILE A 27 1.407 -0.088 -4.774 1.00 40.02 H new ATOM 0 HD12 ILE A 27 2.695 -1.063 -4.027 1.00 40.02 H new ATOM 0 HD13 ILE A 27 3.052 -0.063 -5.454 1.00 40.02 H new ATOM 403 N HIS A 28 2.640 -3.947 -9.456 1.00 45.24 N ATOM 404 CA HIS A 28 2.134 -3.694 -10.835 1.00 62.15 C ATOM 405 C HIS A 28 0.980 -4.665 -11.231 1.00 44.25 C ATOM 406 O HIS A 28 0.268 -4.430 -12.208 1.00 73.13 O ATOM 407 CB HIS A 28 3.301 -3.765 -11.863 1.00 22.32 C ATOM 408 CG HIS A 28 3.870 -5.145 -12.104 1.00 21.51 C ATOM 409 ND1 HIS A 28 4.862 -5.704 -11.331 1.00 42.23 N ATOM 410 CD2 HIS A 28 3.576 -6.078 -13.044 1.00 45.01 C ATOM 411 CE1 HIS A 28 5.142 -6.913 -11.773 1.00 23.22 C ATOM 412 NE2 HIS A 28 4.380 -7.164 -12.813 1.00 62.24 N ATOM 0 H HIS A 28 3.600 -4.291 -9.425 1.00 45.24 H new ATOM 0 HA HIS A 28 1.715 -2.688 -10.848 1.00 62.15 H new ATOM 0 HB2 HIS A 28 2.950 -3.364 -12.814 1.00 22.32 H new ATOM 0 HB3 HIS A 28 4.105 -3.114 -11.520 1.00 22.32 H new ATOM 0 HD1 HIS A 28 5.312 -5.251 -10.536 1.00 42.23 H new ATOM 0 HD2 HIS A 28 2.842 -5.983 -13.831 1.00 45.01 H new ATOM 0 HE1 HIS A 28 5.875 -7.585 -11.351 1.00 23.22 H new ATOM 421 N ARG A 29 0.831 -5.760 -10.465 1.00 51.01 N ATOM 422 CA ARG A 29 -0.187 -6.806 -10.714 1.00 74.21 C ATOM 423 C ARG A 29 -1.589 -6.413 -10.178 1.00 53.44 C ATOM 424 O ARG A 29 -2.605 -6.690 -10.827 1.00 33.34 O ATOM 425 CB ARG A 29 0.278 -8.131 -10.063 1.00 42.54 C ATOM 426 CG ARG A 29 1.628 -8.667 -10.591 1.00 5.35 C ATOM 427 CD ARG A 29 2.141 -9.860 -9.763 1.00 14.04 C ATOM 428 NE ARG A 29 1.140 -10.935 -9.642 1.00 21.25 N ATOM 429 CZ ARG A 29 1.183 -11.936 -8.785 1.00 35.12 C ATOM 430 NH1 ARG A 29 2.201 -12.120 -7.995 1.00 12.30 N ATOM 431 NH2 ARG A 29 0.192 -12.763 -8.742 1.00 73.42 N ATOM 0 H ARG A 29 1.415 -5.949 -9.650 1.00 51.01 H new ATOM 0 HA ARG A 29 -0.284 -6.926 -11.793 1.00 74.21 H new ATOM 0 HB2 ARG A 29 0.357 -7.984 -8.986 1.00 42.54 H new ATOM 0 HB3 ARG A 29 -0.488 -8.889 -10.226 1.00 42.54 H new ATOM 0 HG2 ARG A 29 1.515 -8.970 -11.632 1.00 5.35 H new ATOM 0 HG3 ARG A 29 2.368 -7.867 -10.571 1.00 5.35 H new ATOM 0 HD2 ARG A 29 3.043 -10.259 -10.227 1.00 14.04 H new ATOM 0 HD3 ARG A 29 2.420 -9.514 -8.768 1.00 14.04 H new ATOM 0 HE ARG A 29 0.343 -10.902 -10.278 1.00 21.25 H new ATOM 0 HH11 ARG A 29 2.995 -11.480 -8.028 1.00 12.30 H new ATOM 0 HH12 ARG A 29 2.205 -12.904 -7.342 1.00 12.30 H new ATOM 0 HH21 ARG A 29 -0.606 -12.636 -9.364 1.00 73.42 H new ATOM 0 HH22 ARG A 29 0.207 -13.544 -8.086 1.00 73.42 H new ATOM 445 N TRP A 30 -1.647 -5.751 -9.004 1.00 50.21 N ATOM 446 CA TRP A 30 -2.936 -5.451 -8.316 1.00 51.14 C ATOM 447 C TRP A 30 -3.278 -3.958 -8.380 1.00 34.41 C ATOM 448 O TRP A 30 -4.452 -3.583 -8.481 1.00 42.31 O ATOM 449 CB TRP A 30 -2.918 -5.924 -6.840 1.00 31.43 C ATOM 450 CG TRP A 30 -1.869 -5.293 -5.940 1.00 21.33 C ATOM 451 CD1 TRP A 30 -0.561 -5.653 -5.827 1.00 32.52 C ATOM 452 CD2 TRP A 30 -2.061 -4.218 -5.001 1.00 31.44 C ATOM 453 NE1 TRP A 30 0.064 -4.878 -4.891 1.00 41.13 N ATOM 454 CE2 TRP A 30 -0.830 -3.995 -4.370 1.00 43.22 C ATOM 455 CE3 TRP A 30 -3.154 -3.433 -4.632 1.00 45.35 C ATOM 456 CZ2 TRP A 30 -0.653 -3.012 -3.397 1.00 61.12 C ATOM 457 CZ3 TRP A 30 -2.981 -2.459 -3.668 1.00 52.23 C ATOM 458 CH2 TRP A 30 -1.739 -2.261 -3.055 1.00 61.10 C ATOM 0 H TRP A 30 -0.823 -5.412 -8.508 1.00 50.21 H new ATOM 0 HA TRP A 30 -3.709 -6.005 -8.848 1.00 51.14 H new ATOM 0 HB2 TRP A 30 -3.900 -5.731 -6.408 1.00 31.43 H new ATOM 0 HB3 TRP A 30 -2.772 -7.004 -6.829 1.00 31.43 H new ATOM 0 HD1 TRP A 30 -0.085 -6.438 -6.396 1.00 32.52 H new ATOM 0 HE1 TRP A 30 1.046 -4.950 -4.625 1.00 41.13 H new ATOM 0 HE3 TRP A 30 -4.119 -3.584 -5.092 1.00 45.35 H new ATOM 0 HZ2 TRP A 30 0.308 -2.851 -2.932 1.00 61.12 H new ATOM 0 HZ3 TRP A 30 -3.819 -1.840 -3.383 1.00 52.23 H new ATOM 0 HH2 TRP A 30 -1.638 -1.499 -2.296 1.00 61.10 H new ATOM 469 N HIS A 31 -2.244 -3.110 -8.290 1.00 71.44 N ATOM 470 CA HIS A 31 -2.403 -1.654 -8.267 1.00 52.22 C ATOM 471 C HIS A 31 -2.363 -1.101 -9.721 1.00 1.32 C ATOM 472 O HIS A 31 -1.303 -1.131 -10.363 1.00 33.33 O ATOM 473 CB HIS A 31 -1.308 -1.016 -7.388 1.00 5.40 C ATOM 474 CG HIS A 31 -1.650 0.368 -6.939 1.00 43.35 C ATOM 475 ND1 HIS A 31 -1.557 1.450 -7.778 1.00 54.45 N ATOM 476 CD2 HIS A 31 -2.131 0.773 -5.750 1.00 60.53 C ATOM 477 CE1 HIS A 31 -1.985 2.475 -7.078 1.00 20.51 C ATOM 478 NE2 HIS A 31 -2.340 2.114 -5.844 1.00 11.22 N ATOM 0 H HIS A 31 -1.273 -3.418 -8.231 1.00 71.44 H new ATOM 0 HA HIS A 31 -3.369 -1.397 -7.832 1.00 52.22 H new ATOM 0 HB2 HIS A 31 -1.140 -1.644 -6.513 1.00 5.40 H new ATOM 0 HB3 HIS A 31 -0.372 -0.990 -7.946 1.00 5.40 H new ATOM 0 HD2 HIS A 31 -2.316 0.152 -4.886 1.00 60.53 H new ATOM 0 HE1 HIS A 31 -2.043 3.486 -7.455 1.00 20.51 H new ATOM 0 HE2 HIS A 31 -2.699 2.726 -5.111 1.00 11.22 H new ATOM 486 N PRO A 32 -3.522 -0.594 -10.265 1.00 35.52 N ATOM 487 CA PRO A 32 -3.655 -0.226 -11.710 1.00 50.31 C ATOM 488 C PRO A 32 -2.804 1.005 -12.139 1.00 53.20 C ATOM 489 O PRO A 32 -2.500 1.178 -13.322 1.00 41.44 O ATOM 490 CB PRO A 32 -5.173 0.070 -11.852 1.00 75.44 C ATOM 491 CG PRO A 32 -5.614 0.478 -10.480 1.00 75.34 C ATOM 492 CD PRO A 32 -4.786 -0.341 -9.520 1.00 11.24 C ATOM 0 HA PRO A 32 -3.285 -1.021 -12.357 1.00 50.31 H new ATOM 0 HB2 PRO A 32 -5.355 0.862 -12.578 1.00 75.44 H new ATOM 0 HB3 PRO A 32 -5.717 -0.809 -12.197 1.00 75.44 H new ATOM 0 HG2 PRO A 32 -5.457 1.545 -10.320 1.00 75.34 H new ATOM 0 HG3 PRO A 32 -6.678 0.288 -10.339 1.00 75.34 H new ATOM 0 HD2 PRO A 32 -4.601 0.198 -8.591 1.00 11.24 H new ATOM 0 HD3 PRO A 32 -5.287 -1.272 -9.254 1.00 11.24 H new ATOM 500 N GLN A 33 -2.428 1.844 -11.165 1.00 54.32 N ATOM 501 CA GLN A 33 -1.741 3.134 -11.413 1.00 32.34 C ATOM 502 C GLN A 33 -0.205 2.989 -11.497 1.00 21.04 C ATOM 503 O GLN A 33 0.480 3.907 -11.972 1.00 34.01 O ATOM 504 CB GLN A 33 -2.129 4.109 -10.286 1.00 3.14 C ATOM 505 CG GLN A 33 -3.641 4.422 -10.237 1.00 74.24 C ATOM 506 CD GLN A 33 -4.092 4.935 -8.880 1.00 32.41 C ATOM 507 OE1 GLN A 33 -4.053 6.126 -8.603 1.00 51.34 O ATOM 508 NE2 GLN A 33 -4.510 4.026 -8.021 1.00 1.24 N ATOM 0 H GLN A 33 -2.589 1.653 -10.176 1.00 54.32 H new ATOM 0 HA GLN A 33 -2.061 3.514 -12.383 1.00 32.34 H new ATOM 0 HB2 GLN A 33 -1.822 3.687 -9.329 1.00 3.14 H new ATOM 0 HB3 GLN A 33 -1.577 5.040 -10.415 1.00 3.14 H new ATOM 0 HG2 GLN A 33 -3.879 5.165 -10.998 1.00 74.24 H new ATOM 0 HG3 GLN A 33 -4.202 3.521 -10.485 1.00 74.24 H new ATOM 0 HE21 GLN A 33 -4.528 3.042 -8.288 1.00 1.24 H new ATOM 0 HE22 GLN A 33 -4.815 4.307 -7.089 1.00 1.24 H new ATOM 517 N VAL A 34 0.324 1.856 -11.007 1.00 54.35 N ATOM 518 CA VAL A 34 1.763 1.544 -11.083 1.00 61.25 C ATOM 519 C VAL A 34 2.255 1.448 -12.554 1.00 61.34 C ATOM 520 O VAL A 34 1.693 0.708 -13.367 1.00 35.14 O ATOM 521 CB VAL A 34 2.064 0.218 -10.304 1.00 32.03 C ATOM 522 CG1 VAL A 34 3.519 -0.260 -10.492 1.00 30.22 C ATOM 523 CG2 VAL A 34 1.727 0.399 -8.809 1.00 32.05 C ATOM 0 H VAL A 34 -0.230 1.133 -10.549 1.00 54.35 H new ATOM 0 HA VAL A 34 2.312 2.362 -10.616 1.00 61.25 H new ATOM 0 HB VAL A 34 1.428 -0.563 -10.722 1.00 32.03 H new ATOM 0 HG11 VAL A 34 3.674 -1.182 -9.932 1.00 30.22 H new ATOM 0 HG12 VAL A 34 3.708 -0.442 -11.550 1.00 30.22 H new ATOM 0 HG13 VAL A 34 4.204 0.506 -10.127 1.00 30.22 H new ATOM 0 HG21 VAL A 34 1.939 -0.527 -8.274 1.00 32.05 H new ATOM 0 HG22 VAL A 34 2.333 1.205 -8.394 1.00 32.05 H new ATOM 0 HG23 VAL A 34 0.671 0.647 -8.701 1.00 32.05 H new ATOM 533 N SER A 35 3.325 2.207 -12.862 1.00 65.33 N ATOM 534 CA SER A 35 3.923 2.302 -14.220 1.00 54.31 C ATOM 535 C SER A 35 5.032 1.244 -14.452 1.00 14.00 C ATOM 536 O SER A 35 5.915 1.457 -15.285 1.00 53.20 O ATOM 537 CB SER A 35 4.517 3.722 -14.409 1.00 45.33 C ATOM 538 OG SER A 35 3.535 4.730 -14.245 1.00 74.33 O ATOM 0 H SER A 35 3.808 2.780 -12.171 1.00 65.33 H new ATOM 0 HA SER A 35 3.134 2.110 -14.947 1.00 54.31 H new ATOM 0 HB2 SER A 35 5.321 3.878 -13.690 1.00 45.33 H new ATOM 0 HB3 SER A 35 4.958 3.802 -15.403 1.00 45.33 H new ATOM 0 HG SER A 35 3.946 5.611 -14.370 1.00 74.33 H new ATOM 544 N ALA A 36 4.937 0.096 -13.743 1.00 43.41 N ATOM 545 CA ALA A 36 5.981 -0.964 -13.714 1.00 13.43 C ATOM 546 C ALA A 36 7.319 -0.429 -13.112 1.00 74.23 C ATOM 547 O ALA A 36 8.072 0.273 -13.798 1.00 3.23 O ATOM 548 CB ALA A 36 6.188 -1.598 -15.108 1.00 72.12 C ATOM 0 H ALA A 36 4.125 -0.127 -13.167 1.00 43.41 H new ATOM 0 HA ALA A 36 5.626 -1.756 -13.055 1.00 13.43 H new ATOM 0 HB1 ALA A 36 6.958 -2.367 -15.047 1.00 72.12 H new ATOM 0 HB2 ALA A 36 5.254 -2.045 -15.447 1.00 72.12 H new ATOM 0 HB3 ALA A 36 6.499 -0.829 -15.815 1.00 72.12 H new ATOM 554 N PRO A 37 7.633 -0.740 -11.812 1.00 73.22 N ATOM 555 CA PRO A 37 8.796 -0.148 -11.099 1.00 64.24 C ATOM 556 C PRO A 37 10.141 -0.903 -11.309 1.00 22.42 C ATOM 557 O PRO A 37 10.202 -1.919 -12.007 1.00 14.22 O ATOM 558 CB PRO A 37 8.327 -0.228 -9.633 1.00 23.02 C ATOM 559 CG PRO A 37 7.568 -1.528 -9.566 1.00 34.24 C ATOM 560 CD PRO A 37 6.898 -1.692 -10.926 1.00 0.41 C ATOM 0 HA PRO A 37 9.034 0.853 -11.459 1.00 64.24 H new ATOM 0 HB2 PRO A 37 9.171 -0.222 -8.943 1.00 23.02 H new ATOM 0 HB3 PRO A 37 7.693 0.619 -9.369 1.00 23.02 H new ATOM 0 HG2 PRO A 37 8.239 -2.362 -9.358 1.00 34.24 H new ATOM 0 HG3 PRO A 37 6.828 -1.507 -8.766 1.00 34.24 H new ATOM 0 HD2 PRO A 37 6.978 -2.717 -11.289 1.00 0.41 H new ATOM 0 HD3 PRO A 37 5.836 -1.453 -10.878 1.00 0.41 H new ATOM 568 N THR A 38 11.218 -0.352 -10.713 1.00 70.43 N ATOM 569 CA THR A 38 12.574 -0.967 -10.706 1.00 2.12 C ATOM 570 C THR A 38 13.085 -1.149 -9.258 1.00 3.40 C ATOM 571 O THR A 38 12.859 -0.290 -8.405 1.00 55.22 O ATOM 572 CB THR A 38 13.592 -0.081 -11.516 1.00 54.40 C ATOM 573 OG1 THR A 38 13.191 -0.020 -12.894 1.00 70.32 O ATOM 574 CG2 THR A 38 15.048 -0.598 -11.443 1.00 45.42 C ATOM 0 H THR A 38 11.178 0.539 -10.218 1.00 70.43 H new ATOM 0 HA THR A 38 12.498 -1.945 -11.181 1.00 2.12 H new ATOM 0 HB THR A 38 13.574 0.907 -11.056 1.00 54.40 H new ATOM 0 HG1 THR A 38 13.826 0.534 -13.395 1.00 70.32 H new ATOM 0 HG21 THR A 38 15.697 0.059 -12.023 1.00 45.42 H new ATOM 0 HG22 THR A 38 15.378 -0.610 -10.404 1.00 45.42 H new ATOM 0 HG23 THR A 38 15.096 -1.608 -11.850 1.00 45.42 H new ATOM 582 N LEU A 39 13.783 -2.272 -8.991 1.00 42.52 N ATOM 583 CA LEU A 39 14.358 -2.577 -7.655 1.00 52.13 C ATOM 584 C LEU A 39 15.842 -2.146 -7.570 1.00 45.20 C ATOM 585 O LEU A 39 16.658 -2.522 -8.419 1.00 35.41 O ATOM 586 CB LEU A 39 14.184 -4.097 -7.313 1.00 3.03 C ATOM 587 CG LEU A 39 12.862 -4.493 -6.572 1.00 5.24 C ATOM 588 CD1 LEU A 39 12.836 -3.924 -5.139 1.00 65.42 C ATOM 589 CD2 LEU A 39 11.609 -4.065 -7.369 1.00 41.21 C ATOM 0 H LEU A 39 13.966 -2.993 -9.689 1.00 42.52 H new ATOM 0 HA LEU A 39 13.810 -1.999 -6.911 1.00 52.13 H new ATOM 0 HB2 LEU A 39 14.240 -4.665 -8.241 1.00 3.03 H new ATOM 0 HB3 LEU A 39 15.028 -4.408 -6.698 1.00 3.03 H new ATOM 0 HG LEU A 39 12.842 -5.580 -6.500 1.00 5.24 H new ATOM 0 HD11 LEU A 39 11.907 -4.215 -4.649 1.00 65.42 H new ATOM 0 HD12 LEU A 39 13.682 -4.318 -4.576 1.00 65.42 H new ATOM 0 HD13 LEU A 39 12.901 -2.837 -5.178 1.00 65.42 H new ATOM 0 HD21 LEU A 39 10.713 -4.357 -6.822 1.00 41.21 H new ATOM 0 HD22 LEU A 39 11.615 -2.983 -7.504 1.00 41.21 H new ATOM 0 HD23 LEU A 39 11.614 -4.552 -8.344 1.00 41.21 H new ATOM 601 N ARG A 40 16.174 -1.334 -6.544 1.00 74.00 N ATOM 602 CA ARG A 40 17.563 -0.902 -6.264 1.00 73.11 C ATOM 603 C ARG A 40 18.132 -1.688 -5.054 1.00 72.31 C ATOM 604 O ARG A 40 17.566 -1.616 -3.957 1.00 65.10 O ATOM 605 CB ARG A 40 17.612 0.625 -5.959 1.00 55.31 C ATOM 606 CG ARG A 40 16.943 1.543 -7.006 1.00 44.41 C ATOM 607 CD ARG A 40 17.553 1.419 -8.414 1.00 72.33 C ATOM 608 NE ARG A 40 17.064 2.482 -9.310 1.00 74.42 N ATOM 609 CZ ARG A 40 17.258 2.547 -10.603 1.00 41.10 C ATOM 610 NH1 ARG A 40 17.840 1.591 -11.259 1.00 43.22 N ATOM 611 NH2 ARG A 40 16.847 3.585 -11.247 1.00 1.22 N ATOM 0 H ARG A 40 15.490 -0.959 -5.887 1.00 74.00 H new ATOM 0 HA ARG A 40 18.168 -1.106 -7.147 1.00 73.11 H new ATOM 0 HB2 ARG A 40 17.135 0.799 -4.994 1.00 55.31 H new ATOM 0 HB3 ARG A 40 18.656 0.922 -5.857 1.00 55.31 H new ATOM 0 HG2 ARG A 40 15.880 1.307 -7.058 1.00 44.41 H new ATOM 0 HG3 ARG A 40 17.024 2.578 -6.674 1.00 44.41 H new ATOM 0 HD2 ARG A 40 18.640 1.470 -8.347 1.00 72.33 H new ATOM 0 HD3 ARG A 40 17.305 0.444 -8.835 1.00 72.33 H new ATOM 0 HE ARG A 40 16.525 3.236 -8.884 1.00 74.42 H new ATOM 0 HH11 ARG A 40 18.162 0.757 -10.767 1.00 43.22 H new ATOM 0 HH12 ARG A 40 17.976 1.673 -12.267 1.00 43.22 H new ATOM 0 HH21 ARG A 40 16.378 4.341 -10.749 1.00 1.22 H new ATOM 0 HH22 ARG A 40 16.991 3.650 -12.255 1.00 1.22 H new ATOM 625 N GLY A 41 19.281 -2.370 -5.261 1.00 60.44 N ATOM 626 CA GLY A 41 19.956 -3.212 -4.248 1.00 50.41 C ATOM 627 C GLY A 41 19.091 -4.191 -3.416 1.00 11.15 C ATOM 628 O GLY A 41 17.886 -4.355 -3.646 1.00 63.13 O ATOM 0 H GLY A 41 19.774 -2.350 -6.154 1.00 60.44 H new ATOM 0 HA2 GLY A 41 20.723 -3.796 -4.758 1.00 50.41 H new ATOM 0 HA3 GLY A 41 20.470 -2.549 -3.553 1.00 50.41 H new ATOM 632 N ALA A 42 19.777 -4.888 -2.481 1.00 50.24 N ATOM 633 CA ALA A 42 19.186 -5.855 -1.524 1.00 34.35 C ATOM 634 C ALA A 42 18.296 -6.951 -2.205 1.00 30.42 C ATOM 635 O ALA A 42 18.821 -7.835 -2.889 1.00 45.34 O ATOM 636 CB ALA A 42 18.469 -5.111 -0.370 1.00 20.00 C ATOM 0 H ALA A 42 20.786 -4.791 -2.367 1.00 50.24 H new ATOM 0 HA ALA A 42 20.010 -6.419 -1.088 1.00 34.35 H new ATOM 0 HB1 ALA A 42 18.042 -5.837 0.321 1.00 20.00 H new ATOM 0 HB2 ALA A 42 19.186 -4.484 0.160 1.00 20.00 H new ATOM 0 HB3 ALA A 42 17.674 -4.487 -0.778 1.00 20.00 H new ATOM 642 N SER A 43 16.956 -6.839 -2.057 1.00 54.33 N ATOM 643 CA SER A 43 15.968 -7.851 -2.528 1.00 41.31 C ATOM 644 C SER A 43 14.536 -7.384 -2.157 1.00 54.34 C ATOM 645 O SER A 43 14.371 -6.735 -1.118 1.00 55.32 O ATOM 646 CB SER A 43 16.242 -9.242 -1.889 1.00 71.21 C ATOM 647 OG SER A 43 15.273 -10.205 -2.264 1.00 31.43 O ATOM 0 H SER A 43 16.520 -6.036 -1.603 1.00 54.33 H new ATOM 0 HA SER A 43 16.062 -7.947 -3.610 1.00 41.31 H new ATOM 0 HB2 SER A 43 17.231 -9.589 -2.189 1.00 71.21 H new ATOM 0 HB3 SER A 43 16.254 -9.145 -0.803 1.00 71.21 H new ATOM 0 HG SER A 43 15.485 -11.064 -1.842 1.00 31.43 H new ATOM 653 N PRO A 44 13.469 -7.697 -2.976 1.00 2.00 N ATOM 654 CA PRO A 44 12.055 -7.292 -2.678 1.00 31.23 C ATOM 655 C PRO A 44 11.530 -7.725 -1.275 1.00 45.21 C ATOM 656 O PRO A 44 10.571 -7.143 -0.777 1.00 0.05 O ATOM 657 CB PRO A 44 11.230 -7.968 -3.824 1.00 72.03 C ATOM 658 CG PRO A 44 12.150 -9.007 -4.388 1.00 62.12 C ATOM 659 CD PRO A 44 13.535 -8.415 -4.273 1.00 11.15 C ATOM 0 HA PRO A 44 11.968 -6.206 -2.644 1.00 31.23 H new ATOM 0 HB2 PRO A 44 10.313 -8.416 -3.441 1.00 72.03 H new ATOM 0 HB3 PRO A 44 10.938 -7.243 -4.583 1.00 72.03 H new ATOM 0 HG2 PRO A 44 12.074 -9.942 -3.834 1.00 62.12 H new ATOM 0 HG3 PRO A 44 11.902 -9.231 -5.426 1.00 62.12 H new ATOM 0 HD2 PRO A 44 14.307 -9.185 -4.272 1.00 11.15 H new ATOM 0 HD3 PRO A 44 13.758 -7.741 -5.100 1.00 11.15 H new ATOM 667 N HIS A 45 12.164 -8.746 -0.649 1.00 45.33 N ATOM 668 CA HIS A 45 11.787 -9.230 0.711 1.00 33.51 C ATOM 669 C HIS A 45 12.867 -8.898 1.784 1.00 73.25 C ATOM 670 O HIS A 45 12.722 -9.280 2.951 1.00 34.54 O ATOM 671 CB HIS A 45 11.508 -10.753 0.679 1.00 31.20 C ATOM 672 CG HIS A 45 10.348 -11.139 -0.207 1.00 64.11 C ATOM 673 ND1 HIS A 45 9.036 -11.079 0.206 1.00 23.24 N ATOM 674 CD2 HIS A 45 10.308 -11.606 -1.479 1.00 21.05 C ATOM 675 CE1 HIS A 45 8.250 -11.486 -0.763 1.00 42.54 C ATOM 676 NE2 HIS A 45 8.990 -11.812 -1.795 1.00 60.51 N ATOM 0 H HIS A 45 12.944 -9.256 -1.064 1.00 45.33 H new ATOM 0 HA HIS A 45 10.879 -8.701 1.000 1.00 33.51 H new ATOM 0 HB2 HIS A 45 12.404 -11.270 0.336 1.00 31.20 H new ATOM 0 HB3 HIS A 45 11.309 -11.098 1.694 1.00 31.20 H new ATOM 0 HD2 HIS A 45 11.156 -11.783 -2.123 1.00 21.05 H new ATOM 0 HE1 HIS A 45 7.172 -11.543 -0.718 1.00 42.54 H new ATOM 0 HE2 HIS A 45 8.642 -12.162 -2.688 1.00 60.51 H new ATOM 685 N THR A 46 13.938 -8.184 1.381 1.00 23.21 N ATOM 686 CA THR A 46 15.032 -7.746 2.294 1.00 53.41 C ATOM 687 C THR A 46 14.878 -6.243 2.657 1.00 43.11 C ATOM 688 O THR A 46 14.887 -5.398 1.751 1.00 30.41 O ATOM 689 CB THR A 46 16.445 -7.977 1.652 1.00 54.42 C ATOM 690 OG1 THR A 46 16.605 -9.367 1.330 1.00 71.02 O ATOM 691 CG2 THR A 46 17.599 -7.543 2.583 1.00 4.44 C ATOM 0 H THR A 46 14.076 -7.891 0.414 1.00 23.21 H new ATOM 0 HA THR A 46 14.955 -8.350 3.198 1.00 53.41 H new ATOM 0 HB THR A 46 16.493 -7.361 0.754 1.00 54.42 H new ATOM 0 HG1 THR A 46 17.487 -9.510 0.928 1.00 71.02 H new ATOM 0 HG21 THR A 46 18.553 -7.725 2.089 1.00 4.44 H new ATOM 0 HG22 THR A 46 17.504 -6.481 2.809 1.00 4.44 H new ATOM 0 HG23 THR A 46 17.555 -8.116 3.509 1.00 4.44 H new ATOM 699 N PRO A 47 14.700 -5.892 3.981 1.00 52.33 N ATOM 700 CA PRO A 47 14.675 -4.477 4.464 1.00 4.31 C ATOM 701 C PRO A 47 15.885 -3.636 3.965 1.00 71.23 C ATOM 702 O PRO A 47 17.012 -3.793 4.454 1.00 12.12 O ATOM 703 CB PRO A 47 14.692 -4.638 6.009 1.00 54.14 C ATOM 704 CG PRO A 47 14.007 -5.947 6.240 1.00 74.23 C ATOM 705 CD PRO A 47 14.465 -6.844 5.107 1.00 72.41 C ATOM 0 HA PRO A 47 13.810 -3.930 4.087 1.00 4.31 H new ATOM 0 HB2 PRO A 47 15.710 -4.645 6.399 1.00 54.14 H new ATOM 0 HB3 PRO A 47 14.167 -3.820 6.502 1.00 54.14 H new ATOM 0 HG2 PRO A 47 14.278 -6.367 7.208 1.00 74.23 H new ATOM 0 HG3 PRO A 47 12.923 -5.830 6.235 1.00 74.23 H new ATOM 0 HD2 PRO A 47 15.372 -7.389 5.368 1.00 72.41 H new ATOM 0 HD3 PRO A 47 13.709 -7.587 4.853 1.00 72.41 H new ATOM 713 N GLY A 48 15.636 -2.786 2.949 1.00 43.15 N ATOM 714 CA GLY A 48 16.682 -1.938 2.354 1.00 31.24 C ATOM 715 C GLY A 48 16.461 -1.639 0.867 1.00 63.31 C ATOM 716 O GLY A 48 16.850 -0.567 0.390 1.00 21.31 O ATOM 0 H GLY A 48 14.716 -2.670 2.524 1.00 43.15 H new ATOM 0 HA2 GLY A 48 16.729 -0.997 2.902 1.00 31.24 H new ATOM 0 HA3 GLY A 48 17.648 -2.428 2.477 1.00 31.24 H new ATOM 720 N ALA A 49 15.844 -2.592 0.136 1.00 33.22 N ATOM 721 CA ALA A 49 15.606 -2.466 -1.329 1.00 54.15 C ATOM 722 C ALA A 49 14.627 -1.323 -1.674 1.00 34.23 C ATOM 723 O ALA A 49 13.662 -1.090 -0.953 1.00 1.42 O ATOM 724 CB ALA A 49 15.078 -3.783 -1.896 1.00 23.32 C ATOM 0 H ALA A 49 15.498 -3.465 0.534 1.00 33.22 H new ATOM 0 HA ALA A 49 16.566 -2.224 -1.785 1.00 54.15 H new ATOM 0 HB1 ALA A 49 14.909 -3.676 -2.967 1.00 23.32 H new ATOM 0 HB2 ALA A 49 15.808 -4.573 -1.721 1.00 23.32 H new ATOM 0 HB3 ALA A 49 14.140 -4.041 -1.404 1.00 23.32 H new ATOM 730 N GLU A 50 14.868 -0.643 -2.806 1.00 5.00 N ATOM 731 CA GLU A 50 14.096 0.557 -3.217 1.00 4.14 C ATOM 732 C GLU A 50 13.214 0.275 -4.456 1.00 75.32 C ATOM 733 O GLU A 50 13.592 -0.504 -5.322 1.00 53.42 O ATOM 734 CB GLU A 50 15.068 1.736 -3.488 1.00 54.12 C ATOM 735 CG GLU A 50 15.889 2.156 -2.254 1.00 14.45 C ATOM 736 CD GLU A 50 16.842 3.334 -2.510 1.00 2.11 C ATOM 737 OE1 GLU A 50 17.989 3.095 -2.960 1.00 11.12 O ATOM 738 OE2 GLU A 50 16.455 4.503 -2.255 1.00 5.14 O ATOM 0 H GLU A 50 15.601 -0.903 -3.466 1.00 5.00 H new ATOM 0 HA GLU A 50 13.424 0.826 -2.402 1.00 4.14 H new ATOM 0 HB2 GLU A 50 15.751 1.456 -4.290 1.00 54.12 H new ATOM 0 HB3 GLU A 50 14.496 2.593 -3.842 1.00 54.12 H new ATOM 0 HG2 GLU A 50 15.205 2.424 -1.449 1.00 14.45 H new ATOM 0 HG3 GLU A 50 16.469 1.301 -1.908 1.00 14.45 H new ATOM 745 N ARG A 51 12.037 0.929 -4.524 1.00 12.32 N ATOM 746 CA ARG A 51 11.045 0.726 -5.614 1.00 62.10 C ATOM 747 C ARG A 51 10.810 2.043 -6.396 1.00 51.32 C ATOM 748 O ARG A 51 10.164 2.962 -5.896 1.00 64.30 O ATOM 749 CB ARG A 51 9.726 0.183 -5.003 1.00 71.23 C ATOM 750 CG ARG A 51 8.625 -0.172 -6.020 1.00 33.21 C ATOM 751 CD ARG A 51 7.480 -0.996 -5.399 1.00 23.13 C ATOM 752 NE ARG A 51 6.790 -0.312 -4.287 1.00 42.23 N ATOM 753 CZ ARG A 51 5.815 -0.823 -3.548 1.00 32.35 C ATOM 754 NH1 ARG A 51 5.385 -2.032 -3.716 1.00 12.00 N ATOM 755 NH2 ARG A 51 5.277 -0.103 -2.625 1.00 54.12 N ATOM 0 H ARG A 51 11.742 1.614 -3.828 1.00 12.32 H new ATOM 0 HA ARG A 51 11.429 -0.004 -6.327 1.00 62.10 H new ATOM 0 HB2 ARG A 51 9.956 -0.707 -4.417 1.00 71.23 H new ATOM 0 HB3 ARG A 51 9.332 0.928 -4.311 1.00 71.23 H new ATOM 0 HG2 ARG A 51 8.218 0.746 -6.443 1.00 33.21 H new ATOM 0 HG3 ARG A 51 9.065 -0.734 -6.844 1.00 33.21 H new ATOM 0 HD2 ARG A 51 6.752 -1.233 -6.175 1.00 23.13 H new ATOM 0 HD3 ARG A 51 7.881 -1.943 -5.038 1.00 23.13 H new ATOM 0 HE ARG A 51 7.090 0.638 -4.068 1.00 42.23 H new ATOM 0 HH11 ARG A 51 5.798 -2.625 -4.436 1.00 12.00 H new ATOM 0 HH12 ARG A 51 4.633 -2.392 -3.129 1.00 12.00 H new ATOM 0 HH21 ARG A 51 5.602 0.851 -2.468 1.00 54.12 H new ATOM 0 HH22 ARG A 51 4.526 -0.487 -2.051 1.00 54.12 H new ATOM 769 N VAL A 52 11.351 2.112 -7.634 1.00 61.41 N ATOM 770 CA VAL A 52 11.358 3.340 -8.467 1.00 1.44 C ATOM 771 C VAL A 52 10.388 3.196 -9.672 1.00 75.44 C ATOM 772 O VAL A 52 10.709 2.526 -10.658 1.00 72.51 O ATOM 773 CB VAL A 52 12.812 3.669 -8.982 1.00 1.10 C ATOM 774 CG1 VAL A 52 12.853 5.036 -9.707 1.00 11.11 C ATOM 775 CG2 VAL A 52 13.842 3.619 -7.824 1.00 25.22 C ATOM 0 H VAL A 52 11.797 1.314 -8.087 1.00 61.41 H new ATOM 0 HA VAL A 52 11.019 4.165 -7.840 1.00 1.44 H new ATOM 0 HB VAL A 52 13.088 2.901 -9.705 1.00 1.10 H new ATOM 0 HG11 VAL A 52 13.868 5.235 -10.051 1.00 11.11 H new ATOM 0 HG12 VAL A 52 12.178 5.015 -10.563 1.00 11.11 H new ATOM 0 HG13 VAL A 52 12.542 5.822 -9.019 1.00 11.11 H new ATOM 0 HG21 VAL A 52 14.835 3.850 -8.210 1.00 25.22 H new ATOM 0 HG22 VAL A 52 13.569 4.350 -7.063 1.00 25.22 H new ATOM 0 HG23 VAL A 52 13.847 2.622 -7.384 1.00 25.22 H new ATOM 785 N PHE A 53 9.209 3.833 -9.572 1.00 43.12 N ATOM 786 CA PHE A 53 8.119 3.716 -10.581 1.00 71.04 C ATOM 787 C PHE A 53 8.434 4.493 -11.890 1.00 50.24 C ATOM 788 O PHE A 53 8.151 5.691 -11.990 1.00 14.43 O ATOM 789 CB PHE A 53 6.784 4.215 -9.966 1.00 21.22 C ATOM 790 CG PHE A 53 6.312 3.410 -8.757 1.00 60.22 C ATOM 791 CD1 PHE A 53 6.757 3.704 -7.467 1.00 11.12 C ATOM 792 CD2 PHE A 53 5.423 2.355 -8.913 1.00 21.31 C ATOM 793 CE1 PHE A 53 6.322 2.967 -6.387 1.00 12.50 C ATOM 794 CE2 PHE A 53 4.994 1.623 -7.828 1.00 61.01 C ATOM 795 CZ PHE A 53 5.436 1.924 -6.570 1.00 74.03 C ATOM 0 H PHE A 53 8.975 4.447 -8.792 1.00 43.12 H new ATOM 0 HA PHE A 53 8.032 2.664 -10.852 1.00 71.04 H new ATOM 0 HB2 PHE A 53 6.900 5.258 -9.671 1.00 21.22 H new ATOM 0 HB3 PHE A 53 6.010 4.185 -10.733 1.00 21.22 H new ATOM 0 HD1 PHE A 53 7.450 4.518 -7.314 1.00 11.12 H new ATOM 0 HD2 PHE A 53 5.063 2.105 -9.900 1.00 21.31 H new ATOM 0 HE1 PHE A 53 6.675 3.206 -5.395 1.00 12.50 H new ATOM 0 HE2 PHE A 53 4.303 0.805 -7.972 1.00 61.01 H new ATOM 0 HZ PHE A 53 5.094 1.348 -5.723 1.00 74.03 H new ATOM 805 N GLY A 54 9.014 3.792 -12.887 1.00 41.41 N ATOM 806 CA GLY A 54 9.409 4.415 -14.164 1.00 10.04 C ATOM 807 C GLY A 54 10.795 5.064 -14.090 1.00 21.43 C ATOM 808 O GLY A 54 10.940 6.273 -14.295 1.00 4.40 O ATOM 0 H GLY A 54 9.218 2.794 -12.830 1.00 41.41 H new ATOM 0 HA2 GLY A 54 9.405 3.660 -14.950 1.00 10.04 H new ATOM 0 HA3 GLY A 54 8.672 5.168 -14.442 1.00 10.04 H new ATOM 812 N ALA A 55 11.817 4.242 -13.797 1.00 51.45 N ATOM 813 CA ALA A 55 13.200 4.708 -13.554 1.00 41.54 C ATOM 814 C ALA A 55 13.848 5.357 -14.807 1.00 61.53 C ATOM 815 O ALA A 55 14.192 4.659 -15.770 1.00 33.33 O ATOM 816 CB ALA A 55 14.053 3.528 -13.059 1.00 2.21 C ATOM 0 H ALA A 55 11.710 3.230 -13.721 1.00 51.45 H new ATOM 0 HA ALA A 55 13.156 5.487 -12.793 1.00 41.54 H new ATOM 0 HB1 ALA A 55 15.073 3.867 -12.879 1.00 2.21 H new ATOM 0 HB2 ALA A 55 13.631 3.137 -12.133 1.00 2.21 H new ATOM 0 HB3 ALA A 55 14.060 2.742 -13.814 1.00 2.21 H new ATOM 822 N GLY A 56 14.005 6.699 -14.784 1.00 51.40 N ATOM 823 CA GLY A 56 14.659 7.447 -15.881 1.00 61.25 C ATOM 824 C GLY A 56 13.686 8.204 -16.791 1.00 31.22 C ATOM 825 O GLY A 56 14.001 8.479 -17.958 1.00 55.02 O ATOM 0 H GLY A 56 13.686 7.288 -14.015 1.00 51.40 H new ATOM 0 HA2 GLY A 56 15.365 8.158 -15.451 1.00 61.25 H new ATOM 0 HA3 GLY A 56 15.238 6.750 -16.487 1.00 61.25 H new ATOM 829 N THR A 57 12.502 8.545 -16.257 1.00 13.15 N ATOM 830 CA THR A 57 11.489 9.346 -16.975 1.00 24.03 C ATOM 831 C THR A 57 11.599 10.847 -16.585 1.00 25.30 C ATOM 832 O THR A 57 12.204 11.637 -17.318 1.00 12.05 O ATOM 833 CB THR A 57 10.033 8.805 -16.713 1.00 75.34 C ATOM 834 OG1 THR A 57 9.718 8.826 -15.302 1.00 63.41 O ATOM 835 CG2 THR A 57 9.855 7.369 -17.243 1.00 4.35 C ATOM 0 H THR A 57 12.217 8.275 -15.316 1.00 13.15 H new ATOM 0 HA THR A 57 11.688 9.252 -18.043 1.00 24.03 H new ATOM 0 HB THR A 57 9.352 9.466 -17.249 1.00 75.34 H new ATOM 0 HG1 THR A 57 10.078 8.021 -14.874 1.00 63.41 H new ATOM 0 HG21 THR A 57 8.838 7.031 -17.044 1.00 4.35 H new ATOM 0 HG22 THR A 57 10.039 7.352 -18.317 1.00 4.35 H new ATOM 0 HG23 THR A 57 10.562 6.707 -16.744 1.00 4.35 H new ATOM 843 N GLU A 58 11.083 11.187 -15.384 1.00 62.31 N ATOM 844 CA GLU A 58 10.905 12.577 -14.872 1.00 22.34 C ATOM 845 C GLU A 58 9.915 12.539 -13.682 1.00 35.43 C ATOM 846 O GLU A 58 10.045 13.287 -12.708 1.00 23.40 O ATOM 847 CB GLU A 58 10.353 13.557 -15.961 1.00 3.31 C ATOM 848 CG GLU A 58 10.273 15.034 -15.522 1.00 44.54 C ATOM 849 CD GLU A 58 9.742 15.969 -16.630 1.00 3.04 C ATOM 850 OE1 GLU A 58 10.533 16.391 -17.507 1.00 45.23 O ATOM 851 OE2 GLU A 58 8.532 16.278 -16.636 1.00 41.35 O ATOM 0 H GLU A 58 10.766 10.483 -14.717 1.00 62.31 H new ATOM 0 HA GLU A 58 11.884 12.948 -14.569 1.00 22.34 H new ATOM 0 HB2 GLU A 58 10.987 13.489 -16.845 1.00 3.31 H new ATOM 0 HB3 GLU A 58 9.357 13.226 -16.256 1.00 3.31 H new ATOM 0 HG2 GLU A 58 9.626 15.112 -14.648 1.00 44.54 H new ATOM 0 HG3 GLU A 58 11.264 15.370 -15.216 1.00 44.54 H new ATOM 858 N GLU A 59 8.920 11.636 -13.792 1.00 51.41 N ATOM 859 CA GLU A 59 7.822 11.497 -12.809 1.00 51.10 C ATOM 860 C GLU A 59 8.005 10.266 -11.881 1.00 22.44 C ATOM 861 O GLU A 59 7.051 9.853 -11.209 1.00 53.13 O ATOM 862 CB GLU A 59 6.466 11.388 -13.572 1.00 70.21 C ATOM 863 CG GLU A 59 6.165 12.552 -14.542 1.00 74.44 C ATOM 864 CD GLU A 59 6.120 13.935 -13.860 1.00 1.44 C ATOM 865 OE1 GLU A 59 5.266 14.145 -12.966 1.00 52.11 O ATOM 866 OE2 GLU A 59 6.922 14.824 -14.227 1.00 32.22 O ATOM 0 H GLU A 59 8.854 10.978 -14.569 1.00 51.41 H new ATOM 0 HA GLU A 59 7.833 12.381 -12.171 1.00 51.10 H new ATOM 0 HB2 GLU A 59 6.458 10.455 -14.135 1.00 70.21 H new ATOM 0 HB3 GLU A 59 5.660 11.327 -12.841 1.00 70.21 H new ATOM 0 HG2 GLU A 59 6.925 12.567 -15.323 1.00 74.44 H new ATOM 0 HG3 GLU A 59 5.209 12.367 -15.031 1.00 74.44 H new ATOM 873 N GLU A 60 9.232 9.708 -11.811 1.00 2.15 N ATOM 874 CA GLU A 60 9.489 8.460 -11.045 1.00 50.22 C ATOM 875 C GLU A 60 9.430 8.685 -9.515 1.00 52.02 C ATOM 876 O GLU A 60 9.949 9.676 -8.989 1.00 14.33 O ATOM 877 CB GLU A 60 10.834 7.768 -11.443 1.00 4.52 C ATOM 878 CG GLU A 60 12.141 8.572 -11.231 1.00 53.11 C ATOM 879 CD GLU A 60 12.382 9.643 -12.308 1.00 30.12 C ATOM 880 OE1 GLU A 60 12.706 9.272 -13.453 1.00 25.24 O ATOM 881 OE2 GLU A 60 12.229 10.846 -12.025 1.00 54.33 O ATOM 0 H GLU A 60 10.057 10.094 -12.270 1.00 2.15 H new ATOM 0 HA GLU A 60 8.679 7.783 -11.318 1.00 50.22 H new ATOM 0 HB2 GLU A 60 10.915 6.839 -10.878 1.00 4.52 H new ATOM 0 HB3 GLU A 60 10.773 7.496 -12.497 1.00 4.52 H new ATOM 0 HG2 GLU A 60 12.109 9.052 -10.253 1.00 53.11 H new ATOM 0 HG3 GLU A 60 12.985 7.882 -11.220 1.00 53.11 H new ATOM 888 N LEU A 61 8.772 7.747 -8.816 1.00 14.52 N ATOM 889 CA LEU A 61 8.659 7.754 -7.344 1.00 0.52 C ATOM 890 C LEU A 61 9.657 6.741 -6.755 1.00 11.41 C ATOM 891 O LEU A 61 9.562 5.548 -7.047 1.00 70.05 O ATOM 892 CB LEU A 61 7.203 7.405 -6.909 1.00 42.53 C ATOM 893 CG LEU A 61 6.969 7.191 -5.373 1.00 10.01 C ATOM 894 CD1 LEU A 61 7.366 8.436 -4.555 1.00 4.33 C ATOM 895 CD2 LEU A 61 5.510 6.768 -5.080 1.00 72.42 C ATOM 0 H LEU A 61 8.300 6.957 -9.256 1.00 14.52 H new ATOM 0 HA LEU A 61 8.894 8.750 -6.967 1.00 0.52 H new ATOM 0 HB2 LEU A 61 6.544 8.205 -7.247 1.00 42.53 H new ATOM 0 HB3 LEU A 61 6.898 6.498 -7.431 1.00 42.53 H new ATOM 0 HG LEU A 61 7.621 6.376 -5.058 1.00 10.01 H new ATOM 0 HD11 LEU A 61 7.189 8.247 -3.496 1.00 4.33 H new ATOM 0 HD12 LEU A 61 8.422 8.654 -4.713 1.00 4.33 H new ATOM 0 HD13 LEU A 61 6.768 9.289 -4.877 1.00 4.33 H new ATOM 0 HD21 LEU A 61 5.380 6.628 -4.007 1.00 72.42 H new ATOM 0 HD22 LEU A 61 4.829 7.544 -5.429 1.00 72.42 H new ATOM 0 HD23 LEU A 61 5.291 5.834 -5.597 1.00 72.42 H new ATOM 907 N VAL A 62 10.607 7.221 -5.934 1.00 40.15 N ATOM 908 CA VAL A 62 11.595 6.354 -5.263 1.00 52.22 C ATOM 909 C VAL A 62 11.120 6.048 -3.828 1.00 41.33 C ATOM 910 O VAL A 62 11.034 6.951 -2.993 1.00 61.35 O ATOM 911 CB VAL A 62 13.031 7.011 -5.225 1.00 75.11 C ATOM 912 CG1 VAL A 62 14.076 6.065 -4.563 1.00 50.11 C ATOM 913 CG2 VAL A 62 13.488 7.450 -6.642 1.00 63.21 C ATOM 0 H VAL A 62 10.713 8.212 -5.717 1.00 40.15 H new ATOM 0 HA VAL A 62 11.673 5.430 -5.837 1.00 52.22 H new ATOM 0 HB VAL A 62 12.963 7.906 -4.606 1.00 75.11 H new ATOM 0 HG11 VAL A 62 15.052 6.550 -4.554 1.00 50.11 H new ATOM 0 HG12 VAL A 62 13.771 5.845 -3.540 1.00 50.11 H new ATOM 0 HG13 VAL A 62 14.137 5.137 -5.131 1.00 50.11 H new ATOM 0 HG21 VAL A 62 14.480 7.898 -6.582 1.00 63.21 H new ATOM 0 HG22 VAL A 62 13.522 6.581 -7.299 1.00 63.21 H new ATOM 0 HG23 VAL A 62 12.784 8.180 -7.042 1.00 63.21 H new ATOM 923 N GLU A 63 10.792 4.773 -3.575 1.00 1.23 N ATOM 924 CA GLU A 63 10.420 4.256 -2.238 1.00 61.54 C ATOM 925 C GLU A 63 11.547 3.370 -1.683 1.00 43.30 C ATOM 926 O GLU A 63 12.471 3.043 -2.404 1.00 72.52 O ATOM 927 CB GLU A 63 9.091 3.472 -2.307 1.00 4.11 C ATOM 928 CG GLU A 63 7.910 4.290 -2.866 1.00 72.23 C ATOM 929 CD GLU A 63 6.567 3.549 -2.792 1.00 74.42 C ATOM 930 OE1 GLU A 63 6.529 2.356 -3.160 1.00 62.03 O ATOM 931 OE2 GLU A 63 5.547 4.149 -2.385 1.00 10.25 O ATOM 0 H GLU A 63 10.776 4.056 -4.300 1.00 1.23 H new ATOM 0 HA GLU A 63 10.278 5.101 -1.564 1.00 61.54 H new ATOM 0 HB2 GLU A 63 9.234 2.588 -2.929 1.00 4.11 H new ATOM 0 HB3 GLU A 63 8.836 3.121 -1.307 1.00 4.11 H new ATOM 0 HG2 GLU A 63 7.831 5.226 -2.313 1.00 72.23 H new ATOM 0 HG3 GLU A 63 8.117 4.550 -3.904 1.00 72.23 H new ATOM 938 N ARG A 64 11.466 2.995 -0.396 1.00 45.01 N ATOM 939 CA ARG A 64 12.550 2.270 0.305 1.00 11.52 C ATOM 940 C ARG A 64 11.964 1.366 1.412 1.00 54.25 C ATOM 941 O ARG A 64 11.285 1.852 2.323 1.00 73.45 O ATOM 942 CB ARG A 64 13.560 3.297 0.897 1.00 20.44 C ATOM 943 CG ARG A 64 14.934 2.719 1.320 1.00 11.41 C ATOM 944 CD ARG A 64 15.953 3.839 1.624 1.00 64.24 C ATOM 945 NE ARG A 64 17.337 3.332 1.739 1.00 74.42 N ATOM 946 CZ ARG A 64 18.374 3.787 1.060 1.00 24.12 C ATOM 947 NH1 ARG A 64 18.238 4.681 0.128 1.00 4.30 N ATOM 948 NH2 ARG A 64 19.550 3.321 1.300 1.00 70.25 N ATOM 0 H ARG A 64 10.653 3.183 0.190 1.00 45.01 H new ATOM 0 HA ARG A 64 13.076 1.629 -0.403 1.00 11.52 H new ATOM 0 HB2 ARG A 64 13.728 4.081 0.159 1.00 20.44 H new ATOM 0 HB3 ARG A 64 13.102 3.770 1.766 1.00 20.44 H new ATOM 0 HG2 ARG A 64 14.809 2.091 2.202 1.00 11.41 H new ATOM 0 HG3 ARG A 64 15.321 2.080 0.526 1.00 11.41 H new ATOM 0 HD2 ARG A 64 15.909 4.589 0.834 1.00 64.24 H new ATOM 0 HD3 ARG A 64 15.674 4.337 2.553 1.00 64.24 H new ATOM 0 HE ARG A 64 17.504 2.570 2.396 1.00 74.42 H new ATOM 0 HH11 ARG A 64 17.313 5.049 -0.095 1.00 4.30 H new ATOM 0 HH12 ARG A 64 19.056 5.015 -0.381 1.00 4.30 H new ATOM 0 HH21 ARG A 64 19.678 2.603 2.013 1.00 70.25 H new ATOM 0 HH22 ARG A 64 20.353 3.670 0.777 1.00 70.25 H new ATOM 962 N LEU A 65 12.237 0.059 1.313 1.00 14.40 N ATOM 963 CA LEU A 65 11.686 -0.973 2.214 1.00 52.11 C ATOM 964 C LEU A 65 12.318 -0.904 3.625 1.00 44.03 C ATOM 965 O LEU A 65 13.537 -1.019 3.779 1.00 34.11 O ATOM 966 CB LEU A 65 11.893 -2.379 1.579 1.00 72.05 C ATOM 967 CG LEU A 65 11.412 -3.612 2.408 1.00 23.01 C ATOM 968 CD1 LEU A 65 9.943 -3.455 2.844 1.00 4.54 C ATOM 969 CD2 LEU A 65 11.615 -4.922 1.613 1.00 22.55 C ATOM 0 H LEU A 65 12.855 -0.321 0.596 1.00 14.40 H new ATOM 0 HA LEU A 65 10.619 -0.787 2.338 1.00 52.11 H new ATOM 0 HB2 LEU A 65 11.378 -2.395 0.619 1.00 72.05 H new ATOM 0 HB3 LEU A 65 12.956 -2.504 1.373 1.00 72.05 H new ATOM 0 HG LEU A 65 12.021 -3.664 3.310 1.00 23.01 H new ATOM 0 HD11 LEU A 65 9.639 -4.330 3.419 1.00 4.54 H new ATOM 0 HD12 LEU A 65 9.840 -2.562 3.460 1.00 4.54 H new ATOM 0 HD13 LEU A 65 9.310 -3.362 1.962 1.00 4.54 H new ATOM 0 HD21 LEU A 65 11.273 -5.767 2.211 1.00 22.55 H new ATOM 0 HD22 LEU A 65 11.043 -4.878 0.686 1.00 22.55 H new ATOM 0 HD23 LEU A 65 12.673 -5.046 1.381 1.00 22.55 H new ATOM 981 N VAL A 66 11.461 -0.712 4.643 1.00 51.44 N ATOM 982 CA VAL A 66 11.882 -0.614 6.059 1.00 1.23 C ATOM 983 C VAL A 66 11.871 -2.000 6.755 1.00 21.34 C ATOM 984 O VAL A 66 12.848 -2.371 7.411 1.00 65.52 O ATOM 985 CB VAL A 66 10.960 0.394 6.855 1.00 0.20 C ATOM 986 CG1 VAL A 66 11.289 0.425 8.377 1.00 53.22 C ATOM 987 CG2 VAL A 66 11.041 1.817 6.245 1.00 21.34 C ATOM 0 H VAL A 66 10.454 -0.620 4.511 1.00 51.44 H new ATOM 0 HA VAL A 66 12.905 -0.237 6.064 1.00 1.23 H new ATOM 0 HB VAL A 66 9.937 0.031 6.758 1.00 0.20 H new ATOM 0 HG11 VAL A 66 10.628 1.132 8.878 1.00 53.22 H new ATOM 0 HG12 VAL A 66 11.145 -0.569 8.801 1.00 53.22 H new ATOM 0 HG13 VAL A 66 12.325 0.733 8.519 1.00 53.22 H new ATOM 0 HG21 VAL A 66 10.398 2.492 6.810 1.00 21.34 H new ATOM 0 HG22 VAL A 66 12.070 2.174 6.289 1.00 21.34 H new ATOM 0 HG23 VAL A 66 10.712 1.787 5.206 1.00 21.34 H new ATOM 997 N GLU A 67 10.769 -2.761 6.595 1.00 42.21 N ATOM 998 CA GLU A 67 10.529 -3.998 7.385 1.00 51.02 C ATOM 999 C GLU A 67 9.376 -4.850 6.786 1.00 35.50 C ATOM 1000 O GLU A 67 8.485 -4.317 6.122 1.00 50.15 O ATOM 1001 CB GLU A 67 10.209 -3.593 8.855 1.00 2.14 C ATOM 1002 CG GLU A 67 10.014 -4.755 9.839 1.00 64.22 C ATOM 1003 CD GLU A 67 9.875 -4.279 11.288 1.00 32.43 C ATOM 1004 OE1 GLU A 67 8.819 -3.715 11.638 1.00 61.44 O ATOM 1005 OE2 GLU A 67 10.822 -4.457 12.089 1.00 15.43 O ATOM 0 H GLU A 67 10.028 -2.545 5.928 1.00 42.21 H new ATOM 0 HA GLU A 67 11.425 -4.618 7.354 1.00 51.02 H new ATOM 0 HB2 GLU A 67 11.018 -2.962 9.223 1.00 2.14 H new ATOM 0 HB3 GLU A 67 9.305 -2.985 8.856 1.00 2.14 H new ATOM 0 HG2 GLU A 67 9.125 -5.319 9.558 1.00 64.22 H new ATOM 0 HG3 GLU A 67 10.861 -5.437 9.764 1.00 64.22 H new ATOM 1012 N ARG A 68 9.418 -6.186 7.015 1.00 44.34 N ATOM 1013 CA ARG A 68 8.329 -7.127 6.626 1.00 51.34 C ATOM 1014 C ARG A 68 8.009 -8.115 7.773 1.00 0.31 C ATOM 1015 O ARG A 68 8.873 -8.877 8.216 1.00 24.21 O ATOM 1016 CB ARG A 68 8.688 -7.926 5.340 1.00 64.11 C ATOM 1017 CG ARG A 68 8.778 -7.072 4.061 1.00 1.20 C ATOM 1018 CD ARG A 68 8.955 -7.920 2.795 1.00 75.23 C ATOM 1019 NE ARG A 68 8.983 -7.093 1.582 1.00 60.02 N ATOM 1020 CZ ARG A 68 7.932 -6.597 0.968 1.00 63.44 C ATOM 1021 NH1 ARG A 68 6.725 -6.850 1.362 1.00 11.12 N ATOM 1022 NH2 ARG A 68 8.105 -5.833 -0.044 1.00 32.11 N ATOM 0 H ARG A 68 10.205 -6.645 7.474 1.00 44.34 H new ATOM 0 HA ARG A 68 7.448 -6.519 6.421 1.00 51.34 H new ATOM 0 HB2 ARG A 68 9.643 -8.428 5.494 1.00 64.11 H new ATOM 0 HB3 ARG A 68 7.939 -8.704 5.190 1.00 64.11 H new ATOM 0 HG2 ARG A 68 7.874 -6.470 3.967 1.00 1.20 H new ATOM 0 HG3 ARG A 68 9.615 -6.379 4.150 1.00 1.20 H new ATOM 0 HD2 ARG A 68 9.881 -8.491 2.867 1.00 75.23 H new ATOM 0 HD3 ARG A 68 8.141 -8.641 2.724 1.00 75.23 H new ATOM 0 HE ARG A 68 9.898 -6.885 1.181 1.00 60.02 H new ATOM 0 HH11 ARG A 68 6.568 -7.450 2.172 1.00 11.12 H new ATOM 0 HH12 ARG A 68 5.931 -6.449 0.863 1.00 11.12 H new ATOM 0 HH21 ARG A 68 9.049 -5.616 -0.364 1.00 32.11 H new ATOM 0 HH22 ARG A 68 7.299 -5.441 -0.531 1.00 32.11 H new ATOM 1036 N ASP A 69 6.760 -8.076 8.243 1.00 2.22 N ATOM 1037 CA ASP A 69 6.209 -9.026 9.224 1.00 32.32 C ATOM 1038 C ASP A 69 5.449 -10.154 8.485 1.00 44.25 C ATOM 1039 O ASP A 69 4.309 -9.964 8.065 1.00 71.42 O ATOM 1040 CB ASP A 69 5.276 -8.273 10.199 1.00 61.24 C ATOM 1041 CG ASP A 69 6.021 -7.199 11.006 1.00 12.05 C ATOM 1042 OD1 ASP A 69 6.349 -6.129 10.444 1.00 62.52 O ATOM 1043 OD2 ASP A 69 6.294 -7.424 12.201 1.00 54.41 O ATOM 0 H ASP A 69 6.086 -7.370 7.949 1.00 2.22 H new ATOM 0 HA ASP A 69 7.017 -9.479 9.799 1.00 32.32 H new ATOM 0 HB2 ASP A 69 4.467 -7.806 9.637 1.00 61.24 H new ATOM 0 HB3 ASP A 69 4.818 -8.986 10.884 1.00 61.24 H new ATOM 1048 N GLU A 70 6.100 -11.323 8.315 1.00 42.15 N ATOM 1049 CA GLU A 70 5.539 -12.459 7.541 1.00 4.10 C ATOM 1050 C GLU A 70 4.277 -13.054 8.222 1.00 21.12 C ATOM 1051 O GLU A 70 3.192 -13.090 7.626 1.00 11.21 O ATOM 1052 CB GLU A 70 6.617 -13.562 7.355 1.00 1.13 C ATOM 1053 CG GLU A 70 6.138 -14.819 6.593 1.00 12.30 C ATOM 1054 CD GLU A 70 7.201 -15.933 6.530 1.00 0.41 C ATOM 1055 OE1 GLU A 70 7.311 -16.728 7.493 1.00 64.15 O ATOM 1056 OE2 GLU A 70 7.946 -16.010 5.532 1.00 74.21 O ATOM 0 H GLU A 70 7.023 -11.510 8.706 1.00 42.15 H new ATOM 0 HA GLU A 70 5.238 -12.078 6.565 1.00 4.10 H new ATOM 0 HB2 GLU A 70 7.466 -13.134 6.822 1.00 1.13 H new ATOM 0 HB3 GLU A 70 6.978 -13.866 8.338 1.00 1.13 H new ATOM 0 HG2 GLU A 70 5.241 -15.208 7.075 1.00 12.30 H new ATOM 0 HG3 GLU A 70 5.857 -14.536 5.579 1.00 12.30 H new ATOM 1063 N SER A 71 4.438 -13.501 9.485 1.00 63.33 N ATOM 1064 CA SER A 71 3.359 -14.182 10.251 1.00 41.40 C ATOM 1065 C SER A 71 2.230 -13.202 10.647 1.00 63.45 C ATOM 1066 O SER A 71 1.047 -13.561 10.639 1.00 75.23 O ATOM 1067 CB SER A 71 3.938 -14.870 11.509 1.00 52.14 C ATOM 1068 OG SER A 71 2.951 -15.637 12.185 1.00 42.54 O ATOM 0 H SER A 71 5.311 -13.404 10.004 1.00 63.33 H new ATOM 0 HA SER A 71 2.925 -14.941 9.600 1.00 41.40 H new ATOM 0 HB2 SER A 71 4.768 -15.515 11.222 1.00 52.14 H new ATOM 0 HB3 SER A 71 4.340 -14.115 12.185 1.00 52.14 H new ATOM 0 HG SER A 71 3.349 -16.060 12.974 1.00 42.54 H new ATOM 1074 N ALA A 72 2.613 -11.959 10.977 1.00 30.43 N ATOM 1075 CA ALA A 72 1.658 -10.877 11.317 1.00 0.12 C ATOM 1076 C ALA A 72 1.026 -10.236 10.053 1.00 33.11 C ATOM 1077 O ALA A 72 0.129 -9.392 10.169 1.00 24.33 O ATOM 1078 CB ALA A 72 2.366 -9.811 12.161 1.00 14.24 C ATOM 0 H ALA A 72 3.590 -11.669 11.018 1.00 30.43 H new ATOM 0 HA ALA A 72 0.844 -11.318 11.892 1.00 0.12 H new ATOM 0 HB1 ALA A 72 1.662 -9.017 12.410 1.00 14.24 H new ATOM 0 HB2 ALA A 72 2.741 -10.264 13.079 1.00 14.24 H new ATOM 0 HB3 ALA A 72 3.199 -9.393 11.596 1.00 14.24 H new ATOM 1084 N ARG A 73 1.542 -10.630 8.860 1.00 13.10 N ATOM 1085 CA ARG A 73 1.006 -10.233 7.533 1.00 71.45 C ATOM 1086 C ARG A 73 0.988 -8.693 7.342 1.00 14.43 C ATOM 1087 O ARG A 73 0.041 -8.119 6.793 1.00 64.34 O ATOM 1088 CB ARG A 73 -0.395 -10.859 7.309 1.00 65.32 C ATOM 1089 CG ARG A 73 -0.450 -12.396 7.467 1.00 21.10 C ATOM 1090 CD ARG A 73 -1.851 -12.968 7.180 1.00 2.24 C ATOM 1091 NE ARG A 73 -1.974 -14.384 7.571 1.00 71.54 N ATOM 1092 CZ ARG A 73 -1.826 -15.423 6.778 1.00 33.14 C ATOM 1093 NH1 ARG A 73 -1.506 -15.286 5.525 1.00 71.11 N ATOM 1094 NH2 ARG A 73 -1.991 -16.611 7.261 1.00 32.13 N ATOM 0 H ARG A 73 2.355 -11.242 8.793 1.00 13.10 H new ATOM 0 HA ARG A 73 1.680 -10.624 6.771 1.00 71.45 H new ATOM 0 HB2 ARG A 73 -1.095 -10.410 8.013 1.00 65.32 H new ATOM 0 HB3 ARG A 73 -0.738 -10.598 6.308 1.00 65.32 H new ATOM 0 HG2 ARG A 73 0.272 -12.854 6.790 1.00 21.10 H new ATOM 0 HG3 ARG A 73 -0.152 -12.665 8.480 1.00 21.10 H new ATOM 0 HD2 ARG A 73 -2.596 -12.380 7.716 1.00 2.24 H new ATOM 0 HD3 ARG A 73 -2.070 -12.868 6.117 1.00 2.24 H new ATOM 0 HE ARG A 73 -2.195 -14.576 8.548 1.00 71.54 H new ATOM 0 HH11 ARG A 73 -1.363 -14.355 5.134 1.00 71.11 H new ATOM 0 HH12 ARG A 73 -1.398 -16.110 4.933 1.00 71.11 H new ATOM 0 HH21 ARG A 73 -2.233 -16.733 8.244 1.00 32.13 H new ATOM 0 HH22 ARG A 73 -1.880 -17.426 6.659 1.00 32.13 H new ATOM 1108 N ARG A 74 2.092 -8.054 7.754 1.00 41.43 N ATOM 1109 CA ARG A 74 2.255 -6.588 7.743 1.00 0.55 C ATOM 1110 C ARG A 74 3.524 -6.196 6.942 1.00 63.45 C ATOM 1111 O ARG A 74 4.526 -6.895 6.986 1.00 11.22 O ATOM 1112 CB ARG A 74 2.362 -6.079 9.204 1.00 51.11 C ATOM 1113 CG ARG A 74 2.309 -4.543 9.372 1.00 42.23 C ATOM 1114 CD ARG A 74 2.669 -4.090 10.799 1.00 0.02 C ATOM 1115 NE ARG A 74 4.112 -4.193 11.069 1.00 1.24 N ATOM 1116 CZ ARG A 74 4.799 -3.413 11.873 1.00 22.22 C ATOM 1117 NH1 ARG A 74 4.249 -2.409 12.486 1.00 21.30 N ATOM 1118 NH2 ARG A 74 6.058 -3.629 12.027 1.00 33.14 N ATOM 0 H ARG A 74 2.911 -8.546 8.110 1.00 41.43 H new ATOM 0 HA ARG A 74 1.392 -6.129 7.262 1.00 0.55 H new ATOM 0 HB2 ARG A 74 1.553 -6.520 9.786 1.00 51.11 H new ATOM 0 HB3 ARG A 74 3.296 -6.443 9.631 1.00 51.11 H new ATOM 0 HG2 ARG A 74 2.996 -4.080 8.664 1.00 42.23 H new ATOM 0 HG3 ARG A 74 1.309 -4.188 9.124 1.00 42.23 H new ATOM 0 HD2 ARG A 74 2.347 -3.059 10.943 1.00 0.02 H new ATOM 0 HD3 ARG A 74 2.122 -4.698 11.520 1.00 0.02 H new ATOM 0 HE ARG A 74 4.623 -4.934 10.590 1.00 1.24 H new ATOM 0 HH11 ARG A 74 3.258 -2.209 12.349 1.00 21.30 H new ATOM 0 HH12 ARG A 74 4.808 -1.821 13.104 1.00 21.30 H new ATOM 0 HH21 ARG A 74 6.508 -4.397 11.529 1.00 33.14 H new ATOM 0 HH22 ARG A 74 6.606 -3.033 12.647 1.00 33.14 H new ATOM 1132 N LEU A 75 3.461 -5.082 6.217 1.00 35.35 N ATOM 1133 CA LEU A 75 4.557 -4.558 5.374 1.00 72.02 C ATOM 1134 C LEU A 75 4.775 -3.069 5.694 1.00 21.32 C ATOM 1135 O LEU A 75 3.846 -2.293 5.623 1.00 3.21 O ATOM 1136 CB LEU A 75 4.217 -4.759 3.858 1.00 44.43 C ATOM 1137 CG LEU A 75 5.034 -3.905 2.821 1.00 11.10 C ATOM 1138 CD1 LEU A 75 6.551 -4.072 3.004 1.00 72.34 C ATOM 1139 CD2 LEU A 75 4.621 -4.234 1.372 1.00 40.32 C ATOM 0 H LEU A 75 2.627 -4.495 6.192 1.00 35.35 H new ATOM 0 HA LEU A 75 5.476 -5.104 5.587 1.00 72.02 H new ATOM 0 HB2 LEU A 75 4.360 -5.812 3.616 1.00 44.43 H new ATOM 0 HB3 LEU A 75 3.159 -4.540 3.717 1.00 44.43 H new ATOM 0 HG LEU A 75 4.793 -2.860 3.015 1.00 11.10 H new ATOM 0 HD11 LEU A 75 7.076 -3.464 2.267 1.00 72.34 H new ATOM 0 HD12 LEU A 75 6.834 -3.751 4.006 1.00 72.34 H new ATOM 0 HD13 LEU A 75 6.821 -5.119 2.869 1.00 72.34 H new ATOM 0 HD21 LEU A 75 5.205 -3.626 0.680 1.00 40.32 H new ATOM 0 HD22 LEU A 75 4.805 -5.290 1.172 1.00 40.32 H new ATOM 0 HD23 LEU A 75 3.561 -4.019 1.238 1.00 40.32 H new ATOM 1151 N VAL A 76 6.018 -2.691 6.032 1.00 64.32 N ATOM 1152 CA VAL A 76 6.400 -1.291 6.321 1.00 33.13 C ATOM 1153 C VAL A 76 7.469 -0.789 5.311 1.00 22.14 C ATOM 1154 O VAL A 76 8.484 -1.449 5.087 1.00 15.35 O ATOM 1155 CB VAL A 76 6.962 -1.149 7.786 1.00 31.40 C ATOM 1156 CG1 VAL A 76 7.293 0.328 8.125 1.00 53.31 C ATOM 1157 CG2 VAL A 76 5.982 -1.753 8.824 1.00 71.04 C ATOM 0 H VAL A 76 6.794 -3.348 6.114 1.00 64.32 H new ATOM 0 HA VAL A 76 5.501 -0.682 6.224 1.00 33.13 H new ATOM 0 HB VAL A 76 7.892 -1.715 7.836 1.00 31.40 H new ATOM 0 HG11 VAL A 76 7.678 0.390 9.143 1.00 53.31 H new ATOM 0 HG12 VAL A 76 8.044 0.701 7.429 1.00 53.31 H new ATOM 0 HG13 VAL A 76 6.389 0.932 8.042 1.00 53.31 H new ATOM 0 HG21 VAL A 76 6.397 -1.640 9.825 1.00 71.04 H new ATOM 0 HG22 VAL A 76 5.026 -1.233 8.767 1.00 71.04 H new ATOM 0 HG23 VAL A 76 5.833 -2.811 8.611 1.00 71.04 H new ATOM 1167 N TYR A 77 7.224 0.393 4.721 1.00 72.30 N ATOM 1168 CA TYR A 77 8.195 1.092 3.844 1.00 72.31 C ATOM 1169 C TYR A 77 7.966 2.625 3.885 1.00 54.30 C ATOM 1170 O TYR A 77 7.051 3.102 4.556 1.00 22.41 O ATOM 1171 CB TYR A 77 8.143 0.541 2.386 1.00 21.51 C ATOM 1172 CG TYR A 77 6.792 0.686 1.658 1.00 60.42 C ATOM 1173 CD1 TYR A 77 5.769 -0.252 1.835 1.00 12.54 C ATOM 1174 CD2 TYR A 77 6.551 1.749 0.780 1.00 51.11 C ATOM 1175 CE1 TYR A 77 4.559 -0.129 1.173 1.00 74.41 C ATOM 1176 CE2 TYR A 77 5.345 1.869 0.118 1.00 61.34 C ATOM 1177 CZ TYR A 77 4.353 0.932 0.315 1.00 72.14 C ATOM 1178 OH TYR A 77 3.149 1.051 -0.357 1.00 45.34 O ATOM 0 H TYR A 77 6.345 0.897 4.836 1.00 72.30 H new ATOM 0 HA TYR A 77 9.197 0.895 4.225 1.00 72.31 H new ATOM 0 HB2 TYR A 77 8.907 1.051 1.798 1.00 21.51 H new ATOM 0 HB3 TYR A 77 8.410 -0.516 2.408 1.00 21.51 H new ATOM 0 HD1 TYR A 77 5.926 -1.088 2.501 1.00 12.54 H new ATOM 0 HD2 TYR A 77 7.321 2.488 0.617 1.00 51.11 H new ATOM 0 HE1 TYR A 77 3.780 -0.860 1.328 1.00 74.41 H new ATOM 0 HE2 TYR A 77 5.179 2.697 -0.555 1.00 61.34 H new ATOM 0 HH TYR A 77 3.166 1.853 -0.920 1.00 45.34 H new ATOM 1188 N THR A 78 8.817 3.384 3.176 1.00 12.03 N ATOM 1189 CA THR A 78 8.734 4.871 3.102 1.00 3.03 C ATOM 1190 C THR A 78 9.382 5.378 1.804 1.00 2.32 C ATOM 1191 O THR A 78 10.306 4.756 1.297 1.00 53.23 O ATOM 1192 CB THR A 78 9.438 5.573 4.320 1.00 45.41 C ATOM 1193 OG1 THR A 78 9.386 7.003 4.160 1.00 53.45 O ATOM 1194 CG2 THR A 78 10.908 5.136 4.484 1.00 32.44 C ATOM 0 H THR A 78 9.587 2.993 2.633 1.00 12.03 H new ATOM 0 HA THR A 78 7.674 5.124 3.125 1.00 3.03 H new ATOM 0 HB THR A 78 8.898 5.270 5.217 1.00 45.41 H new ATOM 0 HG1 THR A 78 8.789 7.386 4.836 1.00 53.45 H new ATOM 0 HG21 THR A 78 11.347 5.650 5.339 1.00 32.44 H new ATOM 0 HG22 THR A 78 10.951 4.059 4.647 1.00 32.44 H new ATOM 0 HG23 THR A 78 11.466 5.390 3.582 1.00 32.44 H new ATOM 1202 N MET A 79 8.906 6.518 1.276 1.00 1.41 N ATOM 1203 CA MET A 79 9.480 7.133 0.056 1.00 62.25 C ATOM 1204 C MET A 79 10.469 8.290 0.407 1.00 2.31 C ATOM 1205 O MET A 79 10.039 9.364 0.838 1.00 42.05 O ATOM 1206 CB MET A 79 8.343 7.581 -0.920 1.00 50.32 C ATOM 1207 CG MET A 79 7.178 8.374 -0.309 1.00 13.01 C ATOM 1208 SD MET A 79 5.904 8.741 -1.546 1.00 24.54 S ATOM 1209 CE MET A 79 4.632 9.537 -0.572 1.00 12.11 C ATOM 0 H MET A 79 8.123 7.038 1.673 1.00 1.41 H new ATOM 0 HA MET A 79 10.072 6.380 -0.465 1.00 62.25 H new ATOM 0 HB2 MET A 79 8.791 8.187 -1.707 1.00 50.32 H new ATOM 0 HB3 MET A 79 7.934 6.690 -1.397 1.00 50.32 H new ATOM 0 HG2 MET A 79 6.738 7.804 0.510 1.00 13.01 H new ATOM 0 HG3 MET A 79 7.553 9.305 0.116 1.00 13.01 H new ATOM 0 HE1 MET A 79 3.698 8.983 -0.670 1.00 12.11 H new ATOM 0 HE2 MET A 79 4.934 9.556 0.475 1.00 12.11 H new ATOM 0 HE3 MET A 79 4.487 10.557 -0.927 1.00 12.11 H new ATOM 1219 N PRO A 80 11.833 8.068 0.255 1.00 20.33 N ATOM 1220 CA PRO A 80 12.869 9.122 0.488 1.00 63.15 C ATOM 1221 C PRO A 80 12.797 10.271 -0.551 1.00 70.52 C ATOM 1222 O PRO A 80 13.215 11.403 -0.272 1.00 4.01 O ATOM 1223 CB PRO A 80 14.214 8.345 0.375 1.00 72.14 C ATOM 1224 CG PRO A 80 13.890 7.170 -0.499 1.00 11.41 C ATOM 1225 CD PRO A 80 12.478 6.775 -0.118 1.00 22.43 C ATOM 0 HA PRO A 80 12.735 9.617 1.450 1.00 63.15 H new ATOM 0 HB2 PRO A 80 14.996 8.964 -0.065 1.00 72.14 H new ATOM 0 HB3 PRO A 80 14.573 8.026 1.354 1.00 72.14 H new ATOM 0 HG2 PRO A 80 13.955 7.434 -1.555 1.00 11.41 H new ATOM 0 HG3 PRO A 80 14.588 6.350 -0.332 1.00 11.41 H new ATOM 0 HD2 PRO A 80 11.960 6.295 -0.948 1.00 22.43 H new ATOM 0 HD3 PRO A 80 12.471 6.070 0.713 1.00 22.43 H new ATOM 1233 N ASP A 81 12.267 9.969 -1.756 1.00 42.50 N ATOM 1234 CA ASP A 81 12.058 10.968 -2.828 1.00 3.22 C ATOM 1235 C ASP A 81 10.568 10.995 -3.276 1.00 1.30 C ATOM 1236 O ASP A 81 10.198 10.346 -4.268 1.00 1.52 O ATOM 1237 CB ASP A 81 13.006 10.676 -4.025 1.00 24.41 C ATOM 1238 CG ASP A 81 14.496 10.736 -3.635 1.00 22.41 C ATOM 1239 OD1 ASP A 81 15.064 9.692 -3.236 1.00 45.00 O ATOM 1240 OD2 ASP A 81 15.096 11.833 -3.707 1.00 53.45 O ATOM 0 H ASP A 81 11.972 9.027 -2.013 1.00 42.50 H new ATOM 0 HA ASP A 81 12.300 11.957 -2.438 1.00 3.22 H new ATOM 0 HB2 ASP A 81 12.780 9.689 -4.429 1.00 24.41 H new ATOM 0 HB3 ASP A 81 12.814 11.397 -4.819 1.00 24.41 H new ATOM 1245 N PRO A 82 9.665 11.692 -2.502 1.00 44.10 N ATOM 1246 CA PRO A 82 8.266 11.921 -2.916 1.00 35.14 C ATOM 1247 C PRO A 82 8.101 13.214 -3.776 1.00 73.53 C ATOM 1248 O PRO A 82 8.698 14.249 -3.463 1.00 35.50 O ATOM 1249 CB PRO A 82 7.537 12.046 -1.553 1.00 40.03 C ATOM 1250 CG PRO A 82 8.548 12.671 -0.626 1.00 44.04 C ATOM 1251 CD PRO A 82 9.926 12.267 -1.147 1.00 62.12 C ATOM 0 HA PRO A 82 7.876 11.129 -3.555 1.00 35.14 H new ATOM 0 HB2 PRO A 82 6.644 12.665 -1.638 1.00 40.03 H new ATOM 0 HB3 PRO A 82 7.215 11.071 -1.187 1.00 40.03 H new ATOM 0 HG2 PRO A 82 8.442 13.756 -0.612 1.00 44.04 H new ATOM 0 HG3 PRO A 82 8.403 12.323 0.397 1.00 44.04 H new ATOM 0 HD2 PRO A 82 10.596 13.125 -1.203 1.00 62.12 H new ATOM 0 HD3 PRO A 82 10.399 11.536 -0.491 1.00 62.12 H new ATOM 1259 N PRO A 83 7.289 13.180 -4.887 1.00 73.23 N ATOM 1260 CA PRO A 83 6.922 14.418 -5.643 1.00 35.14 C ATOM 1261 C PRO A 83 5.969 15.342 -4.828 1.00 51.44 C ATOM 1262 O PRO A 83 5.771 16.512 -5.171 1.00 35.21 O ATOM 1263 CB PRO A 83 6.235 13.859 -6.915 1.00 1.34 C ATOM 1264 CG PRO A 83 5.688 12.526 -6.489 1.00 64.22 C ATOM 1265 CD PRO A 83 6.708 11.963 -5.517 1.00 61.21 C ATOM 0 HA PRO A 83 7.782 15.050 -5.864 1.00 35.14 H new ATOM 0 HB2 PRO A 83 5.442 14.521 -7.262 1.00 1.34 H new ATOM 0 HB3 PRO A 83 6.944 13.754 -7.736 1.00 1.34 H new ATOM 0 HG2 PRO A 83 4.712 12.635 -6.015 1.00 64.22 H new ATOM 0 HG3 PRO A 83 5.554 11.865 -7.345 1.00 64.22 H new ATOM 0 HD2 PRO A 83 6.242 11.311 -4.778 1.00 61.21 H new ATOM 0 HD3 PRO A 83 7.468 11.373 -6.029 1.00 61.21 H new ATOM 1273 N PHE A 84 5.392 14.780 -3.745 1.00 74.34 N ATOM 1274 CA PHE A 84 4.499 15.489 -2.810 1.00 52.24 C ATOM 1275 C PHE A 84 5.317 16.409 -1.854 1.00 60.31 C ATOM 1276 O PHE A 84 6.456 16.067 -1.502 1.00 24.54 O ATOM 1277 CB PHE A 84 3.683 14.444 -1.998 1.00 23.51 C ATOM 1278 CG PHE A 84 2.941 13.429 -2.877 1.00 63.11 C ATOM 1279 CD1 PHE A 84 1.757 13.776 -3.527 1.00 61.30 C ATOM 1280 CD2 PHE A 84 3.441 12.136 -3.071 1.00 21.51 C ATOM 1281 CE1 PHE A 84 1.093 12.867 -4.336 1.00 52.13 C ATOM 1282 CE2 PHE A 84 2.775 11.229 -3.877 1.00 13.25 C ATOM 1283 CZ PHE A 84 1.605 11.595 -4.511 1.00 12.12 C ATOM 0 H PHE A 84 5.538 13.802 -3.493 1.00 74.34 H new ATOM 0 HA PHE A 84 3.816 16.123 -3.375 1.00 52.24 H new ATOM 0 HB2 PHE A 84 4.357 13.909 -1.329 1.00 23.51 H new ATOM 0 HB3 PHE A 84 2.960 14.967 -1.371 1.00 23.51 H new ATOM 0 HD1 PHE A 84 1.351 14.768 -3.398 1.00 61.30 H new ATOM 0 HD2 PHE A 84 4.359 11.842 -2.585 1.00 21.51 H new ATOM 0 HE1 PHE A 84 0.176 13.153 -4.829 1.00 52.13 H new ATOM 0 HE2 PHE A 84 3.172 10.233 -4.010 1.00 13.25 H new ATOM 0 HZ PHE A 84 1.090 10.888 -5.144 1.00 12.12 H new ATOM 1293 N PRO A 85 4.754 17.590 -1.410 1.00 5.34 N ATOM 1294 CA PRO A 85 5.465 18.554 -0.505 1.00 71.25 C ATOM 1295 C PRO A 85 5.509 18.108 0.997 1.00 62.15 C ATOM 1296 O PRO A 85 5.411 18.946 1.899 1.00 31.35 O ATOM 1297 CB PRO A 85 4.646 19.884 -0.694 1.00 70.41 C ATOM 1298 CG PRO A 85 3.674 19.611 -1.810 1.00 43.15 C ATOM 1299 CD PRO A 85 3.418 18.124 -1.777 1.00 52.34 C ATOM 0 HA PRO A 85 6.521 18.643 -0.762 1.00 71.25 H new ATOM 0 HB2 PRO A 85 4.123 20.155 0.223 1.00 70.41 H new ATOM 0 HB3 PRO A 85 5.304 20.717 -0.943 1.00 70.41 H new ATOM 0 HG2 PRO A 85 2.749 20.170 -1.669 1.00 43.15 H new ATOM 0 HG3 PRO A 85 4.087 19.916 -2.772 1.00 43.15 H new ATOM 0 HD2 PRO A 85 2.656 17.857 -1.044 1.00 52.34 H new ATOM 0 HD3 PRO A 85 3.078 17.747 -2.742 1.00 52.34 H new ATOM 1307 N ILE A 86 5.713 16.796 1.246 1.00 5.20 N ATOM 1308 CA ILE A 86 5.686 16.191 2.607 1.00 44.13 C ATOM 1309 C ILE A 86 7.125 15.905 3.122 1.00 33.20 C ATOM 1310 O ILE A 86 8.036 15.670 2.319 1.00 70.20 O ATOM 1311 CB ILE A 86 4.841 14.860 2.601 1.00 21.21 C ATOM 1312 CG1 ILE A 86 5.518 13.752 1.726 1.00 44.33 C ATOM 1313 CG2 ILE A 86 3.403 15.137 2.104 1.00 11.53 C ATOM 1314 CD1 ILE A 86 4.761 12.440 1.661 1.00 35.44 C ATOM 0 H ILE A 86 5.903 16.118 0.508 1.00 5.20 H new ATOM 0 HA ILE A 86 5.217 16.907 3.282 1.00 44.13 H new ATOM 0 HB ILE A 86 4.796 14.491 3.626 1.00 21.21 H new ATOM 0 HG12 ILE A 86 5.641 14.134 0.713 1.00 44.33 H new ATOM 0 HG13 ILE A 86 6.517 13.560 2.118 1.00 44.33 H new ATOM 0 HG21 ILE A 86 2.832 14.208 2.106 1.00 11.53 H new ATOM 0 HG22 ILE A 86 2.923 15.859 2.764 1.00 11.53 H new ATOM 0 HG23 ILE A 86 3.439 15.539 1.091 1.00 11.53 H new ATOM 0 HD11 ILE A 86 5.307 11.736 1.033 1.00 35.44 H new ATOM 0 HD12 ILE A 86 4.660 12.028 2.665 1.00 35.44 H new ATOM 0 HD13 ILE A 86 3.771 12.612 1.238 1.00 35.44 H new ATOM 1326 N THR A 87 7.324 15.917 4.461 1.00 12.12 N ATOM 1327 CA THR A 87 8.659 15.652 5.077 1.00 21.15 C ATOM 1328 C THR A 87 8.866 14.135 5.349 1.00 71.13 C ATOM 1329 O THR A 87 9.416 13.419 4.504 1.00 51.54 O ATOM 1330 CB THR A 87 8.872 16.493 6.394 1.00 42.52 C ATOM 1331 OG1 THR A 87 8.646 17.886 6.137 1.00 64.23 O ATOM 1332 CG2 THR A 87 10.290 16.318 6.990 1.00 63.50 C ATOM 0 H THR A 87 6.585 16.106 5.138 1.00 12.12 H new ATOM 0 HA THR A 87 9.412 15.971 4.357 1.00 21.15 H new ATOM 0 HB THR A 87 8.152 16.118 7.121 1.00 42.52 H new ATOM 0 HG1 THR A 87 8.780 18.397 6.963 1.00 64.23 H new ATOM 0 HG21 THR A 87 10.381 16.919 7.895 1.00 63.50 H new ATOM 0 HG22 THR A 87 10.455 15.268 7.233 1.00 63.50 H new ATOM 0 HG23 THR A 87 11.033 16.643 6.262 1.00 63.50 H new ATOM 1340 N ASN A 88 8.402 13.635 6.519 1.00 22.25 N ATOM 1341 CA ASN A 88 8.609 12.225 6.927 1.00 74.32 C ATOM 1342 C ASN A 88 7.358 11.368 6.607 1.00 23.42 C ATOM 1343 O ASN A 88 6.301 11.521 7.229 1.00 4.20 O ATOM 1344 CB ASN A 88 9.003 12.129 8.436 1.00 52.20 C ATOM 1345 CG ASN A 88 7.982 12.730 9.414 1.00 62.40 C ATOM 1346 OD1 ASN A 88 7.285 13.678 9.094 1.00 33.24 O ATOM 1347 ND2 ASN A 88 7.876 12.169 10.603 1.00 2.21 N ATOM 0 H ASN A 88 7.881 14.189 7.198 1.00 22.25 H new ATOM 0 HA ASN A 88 9.440 11.822 6.348 1.00 74.32 H new ATOM 0 HB2 ASN A 88 9.153 11.080 8.691 1.00 52.20 H new ATOM 0 HB3 ASN A 88 9.960 12.632 8.579 1.00 52.20 H new ATOM 0 HD21 ASN A 88 7.200 12.527 11.278 1.00 2.21 H new ATOM 0 HD22 ASN A 88 8.470 11.377 10.848 1.00 2.21 H new ATOM 1354 N HIS A 89 7.478 10.493 5.598 1.00 43.32 N ATOM 1355 CA HIS A 89 6.382 9.587 5.184 1.00 33.44 C ATOM 1356 C HIS A 89 6.502 8.185 5.851 1.00 1.20 C ATOM 1357 O HIS A 89 7.581 7.769 6.277 1.00 53.13 O ATOM 1358 CB HIS A 89 6.359 9.459 3.638 1.00 14.32 C ATOM 1359 CG HIS A 89 5.143 8.737 3.117 1.00 52.35 C ATOM 1360 ND1 HIS A 89 5.223 7.481 2.572 1.00 31.22 N ATOM 1361 CD2 HIS A 89 3.846 9.138 3.103 1.00 54.43 C ATOM 1362 CE1 HIS A 89 3.988 7.146 2.253 1.00 65.14 C ATOM 1363 NE2 HIS A 89 3.121 8.119 2.555 1.00 20.12 N ATOM 0 H HIS A 89 8.329 10.389 5.045 1.00 43.32 H new ATOM 0 HA HIS A 89 5.442 10.022 5.522 1.00 33.44 H new ATOM 0 HB2 HIS A 89 6.398 10.455 3.197 1.00 14.32 H new ATOM 0 HB3 HIS A 89 7.254 8.931 3.311 1.00 14.32 H new ATOM 0 HD1 HIS A 89 6.065 6.921 2.440 1.00 31.22 H new ATOM 0 HD2 HIS A 89 3.461 10.083 3.458 1.00 54.43 H new ATOM 0 HE1 HIS A 89 3.711 6.204 1.804 1.00 65.14 H new ATOM 1371 N ARG A 90 5.355 7.491 5.964 1.00 53.10 N ATOM 1372 CA ARG A 90 5.262 6.097 6.450 1.00 1.32 C ATOM 1373 C ARG A 90 4.113 5.379 5.688 1.00 72.33 C ATOM 1374 O ARG A 90 2.983 5.850 5.722 1.00 30.03 O ATOM 1375 CB ARG A 90 4.952 6.116 7.980 1.00 33.51 C ATOM 1376 CG ARG A 90 5.137 4.768 8.728 1.00 1.14 C ATOM 1377 CD ARG A 90 6.598 4.500 9.128 1.00 62.00 C ATOM 1378 NE ARG A 90 6.748 3.269 9.936 1.00 62.43 N ATOM 1379 CZ ARG A 90 7.855 2.868 10.533 1.00 33.03 C ATOM 1380 NH1 ARG A 90 8.960 3.543 10.438 1.00 54.23 N ATOM 1381 NH2 ARG A 90 7.835 1.772 11.225 1.00 65.21 N ATOM 0 H ARG A 90 4.449 7.888 5.716 1.00 53.10 H new ATOM 0 HA ARG A 90 6.200 5.569 6.277 1.00 1.32 H new ATOM 0 HB2 ARG A 90 5.593 6.861 8.451 1.00 33.51 H new ATOM 0 HB3 ARG A 90 3.923 6.447 8.118 1.00 33.51 H new ATOM 0 HG2 ARG A 90 4.515 4.767 9.623 1.00 1.14 H new ATOM 0 HG3 ARG A 90 4.785 3.955 8.093 1.00 1.14 H new ATOM 0 HD2 ARG A 90 7.208 4.417 8.229 1.00 62.00 H new ATOM 0 HD3 ARG A 90 6.978 5.351 9.694 1.00 62.00 H new ATOM 0 HE ARG A 90 5.923 2.678 10.041 1.00 62.43 H new ATOM 0 HH11 ARG A 90 8.986 4.404 9.892 1.00 54.23 H new ATOM 0 HH12 ARG A 90 9.802 3.212 10.909 1.00 54.23 H new ATOM 0 HH21 ARG A 90 6.972 1.233 11.302 1.00 65.21 H new ATOM 0 HH22 ARG A 90 8.682 1.448 11.692 1.00 65.21 H new ATOM 1395 N ALA A 91 4.397 4.260 4.999 1.00 31.32 N ATOM 1396 CA ALA A 91 3.373 3.497 4.224 1.00 64.12 C ATOM 1397 C ALA A 91 3.345 2.009 4.638 1.00 51.52 C ATOM 1398 O ALA A 91 4.379 1.335 4.620 1.00 62.12 O ATOM 1399 CB ALA A 91 3.638 3.627 2.718 1.00 21.51 C ATOM 0 H ALA A 91 5.331 3.853 4.956 1.00 31.32 H new ATOM 0 HA ALA A 91 2.396 3.925 4.450 1.00 64.12 H new ATOM 0 HB1 ALA A 91 2.884 3.066 2.166 1.00 21.51 H new ATOM 0 HB2 ALA A 91 3.592 4.677 2.430 1.00 21.51 H new ATOM 0 HB3 ALA A 91 4.627 3.230 2.487 1.00 21.51 H new ATOM 1405 N VAL A 92 2.149 1.499 5.002 1.00 15.23 N ATOM 1406 CA VAL A 92 1.975 0.123 5.533 1.00 12.45 C ATOM 1407 C VAL A 92 0.838 -0.661 4.806 1.00 41.33 C ATOM 1408 O VAL A 92 -0.280 -0.172 4.692 1.00 41.33 O ATOM 1409 CB VAL A 92 1.676 0.155 7.091 1.00 54.42 C ATOM 1410 CG1 VAL A 92 1.471 -1.272 7.673 1.00 75.54 C ATOM 1411 CG2 VAL A 92 2.790 0.911 7.872 1.00 72.11 C ATOM 0 H VAL A 92 1.277 2.025 4.938 1.00 15.23 H new ATOM 0 HA VAL A 92 2.914 -0.399 5.347 1.00 12.45 H new ATOM 0 HB VAL A 92 0.742 0.702 7.219 1.00 54.42 H new ATOM 0 HG11 VAL A 92 1.269 -1.203 8.742 1.00 75.54 H new ATOM 0 HG12 VAL A 92 0.628 -1.751 7.174 1.00 75.54 H new ATOM 0 HG13 VAL A 92 2.372 -1.864 7.511 1.00 75.54 H new ATOM 0 HG21 VAL A 92 2.552 0.913 8.936 1.00 72.11 H new ATOM 0 HG22 VAL A 92 3.747 0.412 7.715 1.00 72.11 H new ATOM 0 HG23 VAL A 92 2.853 1.938 7.513 1.00 72.11 H new ATOM 1421 N LEU A 93 1.150 -1.895 4.350 1.00 4.31 N ATOM 1422 CA LEU A 93 0.150 -2.892 3.865 1.00 21.21 C ATOM 1423 C LEU A 93 -0.093 -3.928 4.982 1.00 22.15 C ATOM 1424 O LEU A 93 0.865 -4.441 5.531 1.00 40.32 O ATOM 1425 CB LEU A 93 0.664 -3.636 2.575 1.00 42.23 C ATOM 1426 CG LEU A 93 0.266 -3.036 1.195 1.00 61.02 C ATOM 1427 CD1 LEU A 93 -1.260 -3.034 1.016 1.00 12.04 C ATOM 1428 CD2 LEU A 93 0.864 -1.638 0.982 1.00 62.15 C ATOM 0 H LEU A 93 2.110 -2.237 4.305 1.00 4.31 H new ATOM 0 HA LEU A 93 -0.772 -2.369 3.612 1.00 21.21 H new ATOM 0 HB2 LEU A 93 1.752 -3.679 2.622 1.00 42.23 H new ATOM 0 HB3 LEU A 93 0.302 -4.664 2.612 1.00 42.23 H new ATOM 0 HG LEU A 93 0.691 -3.679 0.424 1.00 61.02 H new ATOM 0 HD11 LEU A 93 -1.512 -2.610 0.044 1.00 12.04 H new ATOM 0 HD12 LEU A 93 -1.634 -4.056 1.074 1.00 12.04 H new ATOM 0 HD13 LEU A 93 -1.718 -2.435 1.803 1.00 12.04 H new ATOM 0 HD21 LEU A 93 0.561 -1.257 0.007 1.00 62.15 H new ATOM 0 HD22 LEU A 93 0.505 -0.966 1.761 1.00 62.15 H new ATOM 0 HD23 LEU A 93 1.952 -1.697 1.026 1.00 62.15 H new ATOM 1440 N GLU A 94 -1.352 -4.253 5.313 1.00 52.43 N ATOM 1441 CA GLU A 94 -1.638 -5.306 6.318 1.00 22.44 C ATOM 1442 C GLU A 94 -2.894 -6.118 5.949 1.00 32.33 C ATOM 1443 O GLU A 94 -4.009 -5.604 5.998 1.00 53.41 O ATOM 1444 CB GLU A 94 -1.784 -4.680 7.731 1.00 75.25 C ATOM 1445 CG GLU A 94 -1.910 -5.715 8.863 1.00 42.10 C ATOM 1446 CD GLU A 94 -1.965 -5.066 10.253 1.00 42.03 C ATOM 1447 OE1 GLU A 94 -0.900 -4.674 10.777 1.00 52.04 O ATOM 1448 OE2 GLU A 94 -3.061 -4.935 10.826 1.00 14.12 O ATOM 0 H GLU A 94 -2.181 -3.814 4.911 1.00 52.43 H new ATOM 0 HA GLU A 94 -0.794 -5.996 6.326 1.00 22.44 H new ATOM 0 HB2 GLU A 94 -0.920 -4.045 7.927 1.00 75.25 H new ATOM 0 HB3 GLU A 94 -2.663 -4.035 7.743 1.00 75.25 H new ATOM 0 HG2 GLU A 94 -2.810 -6.310 8.708 1.00 42.10 H new ATOM 0 HG3 GLU A 94 -1.064 -6.400 8.819 1.00 42.10 H new ATOM 1455 N VAL A 95 -2.708 -7.411 5.613 1.00 64.41 N ATOM 1456 CA VAL A 95 -3.828 -8.306 5.259 1.00 64.24 C ATOM 1457 C VAL A 95 -4.282 -9.125 6.496 1.00 35.21 C ATOM 1458 O VAL A 95 -3.561 -9.982 7.012 1.00 4.44 O ATOM 1459 CB VAL A 95 -3.482 -9.225 4.016 1.00 25.05 C ATOM 1460 CG1 VAL A 95 -3.255 -8.354 2.763 1.00 24.30 C ATOM 1461 CG2 VAL A 95 -2.260 -10.142 4.253 1.00 12.42 C ATOM 0 H VAL A 95 -1.792 -7.858 5.580 1.00 64.41 H new ATOM 0 HA VAL A 95 -4.670 -7.688 4.948 1.00 64.24 H new ATOM 0 HB VAL A 95 -4.339 -9.882 3.866 1.00 25.05 H new ATOM 0 HG11 VAL A 95 -3.018 -8.994 1.913 1.00 24.30 H new ATOM 0 HG12 VAL A 95 -4.159 -7.785 2.547 1.00 24.30 H new ATOM 0 HG13 VAL A 95 -2.428 -7.667 2.942 1.00 24.30 H new ATOM 0 HG21 VAL A 95 -2.079 -10.744 3.363 1.00 12.42 H new ATOM 0 HG22 VAL A 95 -1.382 -9.531 4.463 1.00 12.42 H new ATOM 0 HG23 VAL A 95 -2.457 -10.798 5.101 1.00 12.42 H new ATOM 1471 N VAL A 96 -5.490 -8.816 6.982 1.00 13.02 N ATOM 1472 CA VAL A 96 -6.093 -9.468 8.162 1.00 42.02 C ATOM 1473 C VAL A 96 -7.185 -10.492 7.717 1.00 40.42 C ATOM 1474 O VAL A 96 -8.181 -10.112 7.088 1.00 53.13 O ATOM 1475 CB VAL A 96 -6.673 -8.400 9.181 1.00 52.13 C ATOM 1476 CG1 VAL A 96 -5.529 -7.684 9.946 1.00 53.22 C ATOM 1477 CG2 VAL A 96 -7.582 -7.359 8.481 1.00 1.14 C ATOM 0 H VAL A 96 -6.086 -8.100 6.567 1.00 13.02 H new ATOM 0 HA VAL A 96 -5.311 -10.015 8.688 1.00 42.02 H new ATOM 0 HB VAL A 96 -7.287 -8.947 9.896 1.00 52.13 H new ATOM 0 HG11 VAL A 96 -5.954 -6.957 10.638 1.00 53.22 H new ATOM 0 HG12 VAL A 96 -4.948 -8.419 10.503 1.00 53.22 H new ATOM 0 HG13 VAL A 96 -4.880 -7.172 9.235 1.00 53.22 H new ATOM 0 HG21 VAL A 96 -7.956 -6.648 9.218 1.00 1.14 H new ATOM 0 HG22 VAL A 96 -7.008 -6.827 7.722 1.00 1.14 H new ATOM 0 HG23 VAL A 96 -8.422 -7.868 8.009 1.00 1.14 H new ATOM 1487 N PRO A 97 -6.994 -11.827 8.002 1.00 65.23 N ATOM 1488 CA PRO A 97 -7.938 -12.883 7.560 1.00 13.41 C ATOM 1489 C PRO A 97 -9.275 -12.884 8.355 1.00 45.24 C ATOM 1490 O PRO A 97 -9.313 -13.206 9.552 1.00 75.21 O ATOM 1491 CB PRO A 97 -7.137 -14.194 7.773 1.00 21.32 C ATOM 1492 CG PRO A 97 -6.186 -13.880 8.893 1.00 2.42 C ATOM 1493 CD PRO A 97 -5.840 -12.406 8.752 1.00 53.52 C ATOM 0 HA PRO A 97 -8.258 -12.737 6.528 1.00 13.41 H new ATOM 0 HB2 PRO A 97 -7.795 -15.023 8.033 1.00 21.32 H new ATOM 0 HB3 PRO A 97 -6.602 -14.483 6.868 1.00 21.32 H new ATOM 0 HG2 PRO A 97 -6.644 -14.082 9.861 1.00 2.42 H new ATOM 0 HG3 PRO A 97 -5.291 -14.498 8.829 1.00 2.42 H new ATOM 0 HD2 PRO A 97 -5.719 -11.931 9.725 1.00 53.52 H new ATOM 0 HD3 PRO A 97 -4.904 -12.267 8.211 1.00 53.52 H new ATOM 1501 N ARG A 98 -10.359 -12.476 7.677 1.00 12.41 N ATOM 1502 CA ARG A 98 -11.746 -12.576 8.199 1.00 24.05 C ATOM 1503 C ARG A 98 -12.173 -14.062 8.343 1.00 43.14 C ATOM 1504 O ARG A 98 -12.953 -14.425 9.227 1.00 35.34 O ATOM 1505 CB ARG A 98 -12.714 -11.838 7.237 1.00 54.32 C ATOM 1506 CG ARG A 98 -12.424 -10.329 7.028 1.00 1.25 C ATOM 1507 CD ARG A 98 -12.926 -9.425 8.183 1.00 62.23 C ATOM 1508 NE ARG A 98 -12.237 -9.669 9.469 1.00 45.21 N ATOM 1509 CZ ARG A 98 -12.812 -9.723 10.657 1.00 3.03 C ATOM 1510 NH1 ARG A 98 -14.099 -9.620 10.791 1.00 12.20 N ATOM 1511 NH2 ARG A 98 -12.079 -9.889 11.707 1.00 30.43 N ATOM 0 H ARG A 98 -10.306 -12.064 6.745 1.00 12.41 H new ATOM 0 HA ARG A 98 -11.785 -12.112 9.184 1.00 24.05 H new ATOM 0 HB2 ARG A 98 -12.683 -12.334 6.267 1.00 54.32 H new ATOM 0 HB3 ARG A 98 -13.730 -11.946 7.618 1.00 54.32 H new ATOM 0 HG2 ARG A 98 -11.349 -10.189 6.911 1.00 1.25 H new ATOM 0 HG3 ARG A 98 -12.891 -10.005 6.098 1.00 1.25 H new ATOM 0 HD2 ARG A 98 -12.791 -8.381 7.901 1.00 62.23 H new ATOM 0 HD3 ARG A 98 -13.996 -9.583 8.318 1.00 62.23 H new ATOM 0 HE ARG A 98 -11.227 -9.808 9.435 1.00 45.21 H new ATOM 0 HH11 ARG A 98 -14.689 -9.494 9.968 1.00 12.20 H new ATOM 0 HH12 ARG A 98 -14.520 -9.665 11.719 1.00 12.20 H new ATOM 0 HH21 ARG A 98 -11.067 -9.977 11.614 1.00 30.43 H new ATOM 0 HH22 ARG A 98 -12.512 -9.932 12.630 1.00 30.43 H new ATOM 1525 N ASP A 99 -11.614 -14.891 7.456 1.00 64.52 N ATOM 1526 CA ASP A 99 -11.897 -16.329 7.345 1.00 3.13 C ATOM 1527 C ASP A 99 -10.702 -17.014 6.613 1.00 63.32 C ATOM 1528 O ASP A 99 -9.766 -16.329 6.171 1.00 13.51 O ATOM 1529 CB ASP A 99 -13.243 -16.499 6.583 1.00 34.03 C ATOM 1530 CG ASP A 99 -13.675 -17.948 6.341 1.00 40.31 C ATOM 1531 OD1 ASP A 99 -14.117 -18.609 7.297 1.00 50.13 O ATOM 1532 OD2 ASP A 99 -13.565 -18.430 5.192 1.00 44.45 O ATOM 0 H ASP A 99 -10.929 -14.571 6.772 1.00 64.52 H new ATOM 0 HA ASP A 99 -12.000 -16.804 8.321 1.00 3.13 H new ATOM 0 HB2 ASP A 99 -14.027 -15.992 7.145 1.00 34.03 H new ATOM 0 HB3 ASP A 99 -13.164 -15.994 5.620 1.00 34.03 H new ATOM 1537 N ASP A 100 -10.717 -18.358 6.523 1.00 53.32 N ATOM 1538 CA ASP A 100 -9.719 -19.141 5.747 1.00 3.32 C ATOM 1539 C ASP A 100 -9.626 -18.679 4.270 1.00 52.42 C ATOM 1540 O ASP A 100 -8.539 -18.653 3.695 1.00 0.42 O ATOM 1541 CB ASP A 100 -10.070 -20.646 5.791 1.00 64.13 C ATOM 1542 CG ASP A 100 -9.968 -21.229 7.207 1.00 30.54 C ATOM 1543 OD1 ASP A 100 -10.915 -21.048 8.012 1.00 40.51 O ATOM 1544 OD2 ASP A 100 -8.933 -21.847 7.535 1.00 63.15 O ATOM 0 H ASP A 100 -11.419 -18.937 6.984 1.00 53.32 H new ATOM 0 HA ASP A 100 -8.749 -18.969 6.213 1.00 3.32 H new ATOM 0 HB2 ASP A 100 -11.082 -20.792 5.413 1.00 64.13 H new ATOM 0 HB3 ASP A 100 -9.400 -21.192 5.127 1.00 64.13 H new ATOM 1549 N ARG A 101 -10.781 -18.322 3.672 1.00 20.24 N ATOM 1550 CA ARG A 101 -10.855 -17.862 2.266 1.00 44.35 C ATOM 1551 C ARG A 101 -11.521 -16.447 2.157 1.00 30.54 C ATOM 1552 O ARG A 101 -12.111 -16.075 1.132 1.00 35.10 O ATOM 1553 CB ARG A 101 -11.597 -18.938 1.426 1.00 53.12 C ATOM 1554 CG ARG A 101 -11.496 -18.751 -0.104 1.00 55.23 C ATOM 1555 CD ARG A 101 -12.324 -19.772 -0.899 1.00 40.33 C ATOM 1556 NE ARG A 101 -12.444 -19.395 -2.320 1.00 44.44 N ATOM 1557 CZ ARG A 101 -13.433 -19.739 -3.116 1.00 41.15 C ATOM 1558 NH1 ARG A 101 -14.397 -20.504 -2.708 1.00 13.35 N ATOM 1559 NH2 ARG A 101 -13.446 -19.301 -4.328 1.00 74.22 N ATOM 0 H ARG A 101 -11.685 -18.343 4.145 1.00 20.24 H new ATOM 0 HA ARG A 101 -9.848 -17.743 1.866 1.00 44.35 H new ATOM 0 HB2 ARG A 101 -11.198 -19.919 1.685 1.00 53.12 H new ATOM 0 HB3 ARG A 101 -12.650 -18.937 1.709 1.00 53.12 H new ATOM 0 HG2 ARG A 101 -11.827 -17.745 -0.362 1.00 55.23 H new ATOM 0 HG3 ARG A 101 -10.451 -18.829 -0.404 1.00 55.23 H new ATOM 0 HD2 ARG A 101 -11.859 -20.755 -0.822 1.00 40.33 H new ATOM 0 HD3 ARG A 101 -13.318 -19.854 -0.460 1.00 40.33 H new ATOM 0 HE ARG A 101 -11.700 -18.821 -2.717 1.00 44.44 H new ATOM 0 HH11 ARG A 101 -14.400 -20.854 -1.750 1.00 13.35 H new ATOM 0 HH12 ARG A 101 -15.152 -20.756 -3.345 1.00 13.35 H new ATOM 0 HH21 ARG A 101 -12.695 -18.695 -4.659 1.00 74.22 H new ATOM 0 HH22 ARG A 101 -14.207 -19.560 -4.956 1.00 74.22 H new ATOM 1573 N HIS A 102 -11.383 -15.633 3.219 1.00 41.04 N ATOM 1574 CA HIS A 102 -11.791 -14.201 3.208 1.00 35.53 C ATOM 1575 C HIS A 102 -10.718 -13.355 3.922 1.00 40.40 C ATOM 1576 O HIS A 102 -10.299 -13.682 5.033 1.00 41.11 O ATOM 1577 CB HIS A 102 -13.175 -13.989 3.875 1.00 64.42 C ATOM 1578 CG HIS A 102 -14.319 -14.679 3.177 1.00 72.41 C ATOM 1579 ND1 HIS A 102 -14.911 -15.831 3.653 1.00 4.43 N ATOM 1580 CD2 HIS A 102 -14.976 -14.375 2.029 1.00 64.14 C ATOM 1581 CE1 HIS A 102 -15.870 -16.206 2.837 1.00 50.40 C ATOM 1582 NE2 HIS A 102 -15.932 -15.342 1.848 1.00 52.25 N ATOM 0 H HIS A 102 -10.989 -15.939 4.108 1.00 41.04 H new ATOM 0 HA HIS A 102 -11.880 -13.882 2.169 1.00 35.53 H new ATOM 0 HB2 HIS A 102 -13.126 -14.345 4.904 1.00 64.42 H new ATOM 0 HB3 HIS A 102 -13.384 -12.920 3.917 1.00 64.42 H new ATOM 0 HD2 HIS A 102 -14.783 -13.532 1.381 1.00 64.14 H new ATOM 0 HE1 HIS A 102 -16.500 -17.075 2.958 1.00 50.40 H new ATOM 0 HE2 HIS A 102 -16.588 -15.384 1.068 1.00 52.25 H new ATOM 1591 N CYS A 103 -10.282 -12.265 3.274 1.00 44.31 N ATOM 1592 CA CYS A 103 -9.214 -11.372 3.785 1.00 2.04 C ATOM 1593 C CYS A 103 -9.648 -9.893 3.721 1.00 14.11 C ATOM 1594 O CYS A 103 -10.603 -9.544 3.026 1.00 3.15 O ATOM 1595 CB CYS A 103 -7.930 -11.580 2.948 1.00 20.01 C ATOM 1596 SG CYS A 103 -6.541 -10.533 3.438 1.00 3.43 S ATOM 0 H CYS A 103 -10.659 -11.970 2.373 1.00 44.31 H new ATOM 0 HA CYS A 103 -9.021 -11.622 4.828 1.00 2.04 H new ATOM 0 HB2 CYS A 103 -7.627 -12.624 3.024 1.00 20.01 H new ATOM 0 HB3 CYS A 103 -8.160 -11.390 1.899 1.00 20.01 H new ATOM 0 HG CYS A 103 -5.848 -11.134 4.359 1.00 3.43 H new ATOM 1602 N THR A 104 -8.941 -9.025 4.466 1.00 64.01 N ATOM 1603 CA THR A 104 -9.147 -7.558 4.425 1.00 1.21 C ATOM 1604 C THR A 104 -7.788 -6.836 4.334 1.00 33.32 C ATOM 1605 O THR A 104 -6.973 -6.927 5.248 1.00 53.51 O ATOM 1606 CB THR A 104 -9.970 -7.050 5.665 1.00 71.43 C ATOM 1607 OG1 THR A 104 -11.282 -7.642 5.652 1.00 14.33 O ATOM 1608 CG2 THR A 104 -10.114 -5.511 5.703 1.00 53.33 C ATOM 0 H THR A 104 -8.210 -9.316 5.115 1.00 64.01 H new ATOM 0 HA THR A 104 -9.731 -7.325 3.535 1.00 1.21 H new ATOM 0 HB THR A 104 -9.416 -7.350 6.554 1.00 71.43 H new ATOM 0 HG1 THR A 104 -11.843 -7.208 6.328 1.00 14.33 H new ATOM 0 HG21 THR A 104 -10.691 -5.221 6.581 1.00 53.33 H new ATOM 0 HG22 THR A 104 -9.126 -5.054 5.752 1.00 53.33 H new ATOM 0 HG23 THR A 104 -10.627 -5.171 4.803 1.00 53.33 H new ATOM 1616 N VAL A 105 -7.541 -6.132 3.210 1.00 71.12 N ATOM 1617 CA VAL A 105 -6.261 -5.418 2.983 1.00 61.10 C ATOM 1618 C VAL A 105 -6.370 -3.975 3.520 1.00 34.31 C ATOM 1619 O VAL A 105 -7.152 -3.172 3.003 1.00 32.33 O ATOM 1620 CB VAL A 105 -5.847 -5.383 1.466 1.00 12.33 C ATOM 1621 CG1 VAL A 105 -4.393 -4.867 1.291 1.00 51.34 C ATOM 1622 CG2 VAL A 105 -6.021 -6.764 0.805 1.00 32.42 C ATOM 0 H VAL A 105 -8.209 -6.041 2.444 1.00 71.12 H new ATOM 0 HA VAL A 105 -5.487 -5.967 3.518 1.00 61.10 H new ATOM 0 HB VAL A 105 -6.515 -4.684 0.962 1.00 12.33 H new ATOM 0 HG11 VAL A 105 -4.136 -4.854 0.232 1.00 51.34 H new ATOM 0 HG12 VAL A 105 -4.314 -3.858 1.696 1.00 51.34 H new ATOM 0 HG13 VAL A 105 -3.707 -5.526 1.823 1.00 51.34 H new ATOM 0 HG21 VAL A 105 -5.726 -6.706 -0.243 1.00 32.42 H new ATOM 0 HG22 VAL A 105 -5.395 -7.494 1.318 1.00 32.42 H new ATOM 0 HG23 VAL A 105 -7.065 -7.070 0.872 1.00 32.42 H new ATOM 1632 N VAL A 106 -5.581 -3.671 4.556 1.00 34.51 N ATOM 1633 CA VAL A 106 -5.583 -2.364 5.234 1.00 64.24 C ATOM 1634 C VAL A 106 -4.304 -1.589 4.851 1.00 64.24 C ATOM 1635 O VAL A 106 -3.197 -1.976 5.243 1.00 65.33 O ATOM 1636 CB VAL A 106 -5.673 -2.526 6.804 1.00 12.43 C ATOM 1637 CG1 VAL A 106 -5.761 -1.145 7.520 1.00 33.22 C ATOM 1638 CG2 VAL A 106 -6.861 -3.440 7.208 1.00 44.03 C ATOM 0 H VAL A 106 -4.914 -4.332 4.954 1.00 34.51 H new ATOM 0 HA VAL A 106 -6.463 -1.808 4.910 1.00 64.24 H new ATOM 0 HB VAL A 106 -4.752 -3.008 7.133 1.00 12.43 H new ATOM 0 HG11 VAL A 106 -5.821 -1.297 8.598 1.00 33.22 H new ATOM 0 HG12 VAL A 106 -4.874 -0.557 7.286 1.00 33.22 H new ATOM 0 HG13 VAL A 106 -6.649 -0.614 7.178 1.00 33.22 H new ATOM 0 HG21 VAL A 106 -6.896 -3.532 8.294 1.00 44.03 H new ATOM 0 HG22 VAL A 106 -7.794 -3.004 6.850 1.00 44.03 H new ATOM 0 HG23 VAL A 106 -6.728 -4.427 6.764 1.00 44.03 H new ATOM 1648 N TRP A 107 -4.460 -0.506 4.074 1.00 73.14 N ATOM 1649 CA TRP A 107 -3.330 0.337 3.624 1.00 71.54 C ATOM 1650 C TRP A 107 -3.391 1.703 4.351 1.00 21.32 C ATOM 1651 O TRP A 107 -4.398 2.412 4.265 1.00 72.13 O ATOM 1652 CB TRP A 107 -3.378 0.501 2.077 1.00 1.25 C ATOM 1653 CG TRP A 107 -2.095 0.991 1.421 1.00 22.24 C ATOM 1654 CD1 TRP A 107 -0.920 1.374 2.020 1.00 15.51 C ATOM 1655 CD2 TRP A 107 -1.877 1.135 0.013 1.00 64.24 C ATOM 1656 NE1 TRP A 107 -0.001 1.739 1.072 1.00 2.03 N ATOM 1657 CE2 TRP A 107 -0.563 1.605 -0.168 1.00 21.04 C ATOM 1658 CE3 TRP A 107 -2.676 0.917 -1.109 1.00 41.02 C ATOM 1659 CZ2 TRP A 107 -0.026 1.853 -1.428 1.00 74.33 C ATOM 1660 CZ3 TRP A 107 -2.147 1.165 -2.357 1.00 52.42 C ATOM 1661 CH2 TRP A 107 -0.832 1.631 -2.511 1.00 73.02 C ATOM 0 H TRP A 107 -5.369 -0.187 3.738 1.00 73.14 H new ATOM 0 HA TRP A 107 -2.382 -0.138 3.875 1.00 71.54 H new ATOM 0 HB2 TRP A 107 -3.644 -0.460 1.637 1.00 1.25 H new ATOM 0 HB3 TRP A 107 -4.179 1.198 1.829 1.00 1.25 H new ATOM 0 HD1 TRP A 107 -0.746 1.386 3.086 1.00 15.51 H new ATOM 0 HE1 TRP A 107 0.949 2.059 1.260 1.00 2.03 H new ATOM 0 HE3 TRP A 107 -3.690 0.561 -1.002 1.00 41.02 H new ATOM 0 HZ2 TRP A 107 0.988 2.207 -1.546 1.00 74.33 H new ATOM 0 HZ3 TRP A 107 -2.756 0.998 -3.233 1.00 52.42 H new ATOM 0 HH2 TRP A 107 -0.449 1.818 -3.503 1.00 73.02 H new ATOM 1672 N THR A 108 -2.303 2.061 5.062 1.00 51.14 N ATOM 1673 CA THR A 108 -2.260 3.254 5.947 1.00 2.30 C ATOM 1674 C THR A 108 -1.008 4.125 5.646 1.00 13.34 C ATOM 1675 O THR A 108 0.093 3.592 5.494 1.00 4.30 O ATOM 1676 CB THR A 108 -2.267 2.815 7.457 1.00 13.53 C ATOM 1677 OG1 THR A 108 -3.335 1.874 7.693 1.00 5.13 O ATOM 1678 CG2 THR A 108 -2.445 4.009 8.416 1.00 33.33 C ATOM 0 H THR A 108 -1.429 1.536 5.043 1.00 51.14 H new ATOM 0 HA THR A 108 -3.148 3.854 5.750 1.00 2.30 H new ATOM 0 HB THR A 108 -1.298 2.358 7.656 1.00 13.53 H new ATOM 0 HG1 THR A 108 -3.331 1.604 8.635 1.00 5.13 H new ATOM 0 HG21 THR A 108 -2.443 3.652 9.446 1.00 33.33 H new ATOM 0 HG22 THR A 108 -1.626 4.714 8.275 1.00 33.33 H new ATOM 0 HG23 THR A 108 -3.392 4.506 8.206 1.00 33.33 H new ATOM 1686 N ALA A 109 -1.185 5.467 5.577 1.00 73.21 N ATOM 1687 CA ALA A 109 -0.100 6.425 5.235 1.00 72.44 C ATOM 1688 C ALA A 109 -0.039 7.608 6.224 1.00 24.30 C ATOM 1689 O ALA A 109 -0.958 8.419 6.301 1.00 1.41 O ATOM 1690 CB ALA A 109 -0.262 6.954 3.803 1.00 32.22 C ATOM 0 H ALA A 109 -2.082 5.917 5.756 1.00 73.21 H new ATOM 0 HA ALA A 109 0.838 5.874 5.308 1.00 72.44 H new ATOM 0 HB1 ALA A 109 0.545 7.652 3.580 1.00 32.22 H new ATOM 0 HB2 ALA A 109 -0.226 6.121 3.101 1.00 32.22 H new ATOM 0 HB3 ALA A 109 -1.220 7.465 3.710 1.00 32.22 H new ATOM 1696 N MET A 110 1.077 7.697 6.948 1.00 51.31 N ATOM 1697 CA MET A 110 1.367 8.781 7.901 1.00 64.21 C ATOM 1698 C MET A 110 2.366 9.758 7.263 1.00 1.54 C ATOM 1699 O MET A 110 3.357 9.322 6.678 1.00 43.03 O ATOM 1700 CB MET A 110 1.986 8.195 9.198 1.00 70.22 C ATOM 1701 CG MET A 110 1.021 7.413 10.099 1.00 11.32 C ATOM 1702 SD MET A 110 0.134 6.069 9.271 1.00 32.24 S ATOM 1703 CE MET A 110 1.429 4.886 8.886 1.00 45.51 C ATOM 0 H MET A 110 1.824 7.005 6.891 1.00 51.31 H new ATOM 0 HA MET A 110 0.441 9.300 8.148 1.00 64.21 H new ATOM 0 HB2 MET A 110 2.810 7.537 8.921 1.00 70.22 H new ATOM 0 HB3 MET A 110 2.413 9.014 9.777 1.00 70.22 H new ATOM 0 HG2 MET A 110 1.583 6.998 10.936 1.00 11.32 H new ATOM 0 HG3 MET A 110 0.292 8.108 10.517 1.00 11.32 H new ATOM 0 HE1 MET A 110 1.007 3.882 8.854 1.00 45.51 H new ATOM 0 HE2 MET A 110 1.866 5.127 7.917 1.00 45.51 H new ATOM 0 HE3 MET A 110 2.202 4.930 9.653 1.00 45.51 H new ATOM 1713 N PHE A 111 2.109 11.069 7.369 1.00 13.32 N ATOM 1714 CA PHE A 111 3.070 12.096 6.915 1.00 2.50 C ATOM 1715 C PHE A 111 2.827 13.446 7.615 1.00 21.44 C ATOM 1716 O PHE A 111 1.684 13.818 7.886 1.00 62.03 O ATOM 1717 CB PHE A 111 3.080 12.236 5.353 1.00 71.12 C ATOM 1718 CG PHE A 111 1.712 12.386 4.668 1.00 35.41 C ATOM 1719 CD1 PHE A 111 1.073 13.621 4.595 1.00 62.04 C ATOM 1720 CD2 PHE A 111 1.081 11.290 4.072 1.00 61.34 C ATOM 1721 CE1 PHE A 111 -0.145 13.761 3.954 1.00 35.30 C ATOM 1722 CE2 PHE A 111 -0.132 11.431 3.428 1.00 75.52 C ATOM 1723 CZ PHE A 111 -0.744 12.667 3.369 1.00 61.51 C ATOM 0 H PHE A 111 1.248 11.447 7.763 1.00 13.32 H new ATOM 0 HA PHE A 111 4.065 11.760 7.206 1.00 2.50 H new ATOM 0 HB2 PHE A 111 3.689 13.102 5.092 1.00 71.12 H new ATOM 0 HB3 PHE A 111 3.576 11.360 4.935 1.00 71.12 H new ATOM 0 HD1 PHE A 111 1.537 14.485 5.047 1.00 62.04 H new ATOM 0 HD2 PHE A 111 1.550 10.318 4.116 1.00 61.34 H new ATOM 0 HE1 PHE A 111 -0.626 14.727 3.912 1.00 35.30 H new ATOM 0 HE2 PHE A 111 -0.603 10.574 2.970 1.00 75.52 H new ATOM 0 HZ PHE A 111 -1.692 12.776 2.864 1.00 61.51 H new ATOM 1733 N ASP A 112 3.919 14.175 7.919 1.00 0.12 N ATOM 1734 CA ASP A 112 3.836 15.507 8.543 1.00 54.21 C ATOM 1735 C ASP A 112 3.817 16.589 7.443 1.00 40.31 C ATOM 1736 O ASP A 112 4.859 17.128 7.036 1.00 24.34 O ATOM 1737 CB ASP A 112 4.995 15.712 9.548 1.00 43.12 C ATOM 1738 CG ASP A 112 4.887 17.016 10.352 1.00 24.43 C ATOM 1739 OD1 ASP A 112 3.875 17.200 11.065 1.00 75.31 O ATOM 1740 OD2 ASP A 112 5.810 17.856 10.292 1.00 44.23 O ATOM 0 H ASP A 112 4.873 13.860 7.741 1.00 0.12 H new ATOM 0 HA ASP A 112 2.910 15.589 9.112 1.00 54.21 H new ATOM 0 HB2 ASP A 112 5.019 14.870 10.239 1.00 43.12 H new ATOM 0 HB3 ASP A 112 5.941 15.706 9.006 1.00 43.12 H new ATOM 1745 N CYS A 113 2.615 16.807 6.904 1.00 41.53 N ATOM 1746 CA CYS A 113 2.350 17.815 5.857 1.00 73.11 C ATOM 1747 C CYS A 113 1.497 18.976 6.397 1.00 32.21 C ATOM 1748 O CYS A 113 0.823 18.839 7.427 1.00 55.13 O ATOM 1749 CB CYS A 113 1.627 17.138 4.679 1.00 3.44 C ATOM 1750 SG CYS A 113 1.158 18.248 3.337 1.00 60.35 S ATOM 0 H CYS A 113 1.783 16.285 7.181 1.00 41.53 H new ATOM 0 HA CYS A 113 3.302 18.229 5.525 1.00 73.11 H new ATOM 0 HB2 CYS A 113 2.272 16.357 4.276 1.00 3.44 H new ATOM 0 HB3 CYS A 113 0.729 16.648 5.056 1.00 3.44 H new ATOM 0 HG CYS A 113 0.560 17.570 2.402 1.00 60.35 H new ATOM 1756 N SER A 114 1.534 20.115 5.684 1.00 2.21 N ATOM 1757 CA SER A 114 0.708 21.303 5.993 1.00 4.32 C ATOM 1758 C SER A 114 -0.796 20.973 5.801 1.00 35.21 C ATOM 1759 O SER A 114 -1.146 20.370 4.790 1.00 71.44 O ATOM 1760 CB SER A 114 1.118 22.481 5.082 1.00 64.44 C ATOM 1761 OG SER A 114 2.489 22.813 5.256 1.00 54.11 O ATOM 0 H SER A 114 2.139 20.241 4.873 1.00 2.21 H new ATOM 0 HA SER A 114 0.872 21.588 7.032 1.00 4.32 H new ATOM 0 HB2 SER A 114 0.934 22.219 4.040 1.00 64.44 H new ATOM 0 HB3 SER A 114 0.499 23.350 5.306 1.00 64.44 H new ATOM 0 HG SER A 114 2.722 23.560 4.666 1.00 54.11 H new ATOM 1767 N PRO A 115 -1.700 21.376 6.760 1.00 61.01 N ATOM 1768 CA PRO A 115 -3.115 20.882 6.825 1.00 73.54 C ATOM 1769 C PRO A 115 -3.941 21.067 5.516 1.00 22.44 C ATOM 1770 O PRO A 115 -4.668 20.149 5.120 1.00 25.51 O ATOM 1771 CB PRO A 115 -3.729 21.678 8.013 1.00 60.15 C ATOM 1772 CG PRO A 115 -2.801 22.836 8.231 1.00 43.13 C ATOM 1773 CD PRO A 115 -1.425 22.335 7.865 1.00 72.21 C ATOM 0 HA PRO A 115 -3.136 19.801 6.960 1.00 73.54 H new ATOM 0 HB2 PRO A 115 -4.737 22.020 7.779 1.00 60.15 H new ATOM 0 HB3 PRO A 115 -3.802 21.058 8.907 1.00 60.15 H new ATOM 0 HG2 PRO A 115 -3.085 23.687 7.611 1.00 43.13 H new ATOM 0 HG3 PRO A 115 -2.832 23.172 9.267 1.00 43.13 H new ATOM 0 HD2 PRO A 115 -0.773 23.146 7.542 1.00 72.21 H new ATOM 0 HD3 PRO A 115 -0.935 21.849 8.709 1.00 72.21 H new ATOM 1781 N GLU A 116 -3.821 22.240 4.860 1.00 23.34 N ATOM 1782 CA GLU A 116 -4.527 22.519 3.572 1.00 41.21 C ATOM 1783 C GLU A 116 -4.055 21.575 2.438 1.00 52.55 C ATOM 1784 O GLU A 116 -4.854 21.134 1.603 1.00 63.30 O ATOM 1785 CB GLU A 116 -4.327 23.990 3.139 1.00 20.03 C ATOM 1786 CG GLU A 116 -4.867 25.034 4.125 1.00 63.14 C ATOM 1787 CD GLU A 116 -4.568 26.476 3.682 1.00 31.04 C ATOM 1788 OE1 GLU A 116 -5.274 26.991 2.786 1.00 44.42 O ATOM 1789 OE2 GLU A 116 -3.622 27.096 4.221 1.00 33.34 O ATOM 0 H GLU A 116 -3.245 23.014 5.192 1.00 23.34 H new ATOM 0 HA GLU A 116 -5.587 22.337 3.748 1.00 41.21 H new ATOM 0 HB2 GLU A 116 -3.262 24.168 2.991 1.00 20.03 H new ATOM 0 HB3 GLU A 116 -4.812 24.138 2.174 1.00 20.03 H new ATOM 0 HG2 GLU A 116 -5.944 24.906 4.230 1.00 63.14 H new ATOM 0 HG3 GLU A 116 -4.428 24.861 5.108 1.00 63.14 H new ATOM 1796 N THR A 117 -2.746 21.275 2.422 1.00 23.24 N ATOM 1797 CA THR A 117 -2.150 20.316 1.462 1.00 33.03 C ATOM 1798 C THR A 117 -2.509 18.853 1.849 1.00 73.42 C ATOM 1799 O THR A 117 -2.730 18.014 0.983 1.00 22.41 O ATOM 1800 CB THR A 117 -0.588 20.487 1.380 1.00 61.01 C ATOM 1801 OG1 THR A 117 -0.253 21.861 1.096 1.00 41.50 O ATOM 1802 CG2 THR A 117 0.058 19.587 0.307 1.00 20.01 C ATOM 0 H THR A 117 -2.070 21.684 3.067 1.00 23.24 H new ATOM 0 HA THR A 117 -2.569 20.531 0.479 1.00 33.03 H new ATOM 0 HB THR A 117 -0.193 20.186 2.351 1.00 61.01 H new ATOM 0 HG1 THR A 117 0.721 21.957 1.049 1.00 41.50 H new ATOM 0 HG21 THR A 117 1.136 19.749 0.297 1.00 20.01 H new ATOM 0 HG22 THR A 117 -0.150 18.542 0.536 1.00 20.01 H new ATOM 0 HG23 THR A 117 -0.355 19.834 -0.671 1.00 20.01 H new ATOM 1810 N ALA A 118 -2.626 18.587 3.165 1.00 24.32 N ATOM 1811 CA ALA A 118 -2.834 17.222 3.720 1.00 24.32 C ATOM 1812 C ALA A 118 -4.262 16.688 3.424 1.00 42.24 C ATOM 1813 O ALA A 118 -4.427 15.520 3.091 1.00 22.23 O ATOM 1814 CB ALA A 118 -2.566 17.231 5.234 1.00 3.34 C ATOM 0 H ALA A 118 -2.580 19.312 3.881 1.00 24.32 H new ATOM 0 HA ALA A 118 -2.130 16.549 3.231 1.00 24.32 H new ATOM 0 HB1 ALA A 118 -2.719 16.230 5.637 1.00 3.34 H new ATOM 0 HB2 ALA A 118 -1.538 17.543 5.420 1.00 3.34 H new ATOM 0 HB3 ALA A 118 -3.250 17.926 5.720 1.00 3.34 H new ATOM 1820 N ARG A 119 -5.277 17.567 3.567 1.00 60.25 N ATOM 1821 CA ARG A 119 -6.695 17.269 3.219 1.00 75.23 C ATOM 1822 C ARG A 119 -6.899 17.097 1.687 1.00 34.34 C ATOM 1823 O ARG A 119 -7.820 16.390 1.252 1.00 25.52 O ATOM 1824 CB ARG A 119 -7.637 18.372 3.805 1.00 10.50 C ATOM 1825 CG ARG A 119 -7.374 19.829 3.313 1.00 71.43 C ATOM 1826 CD ARG A 119 -8.273 20.271 2.140 1.00 14.13 C ATOM 1827 NE ARG A 119 -9.682 20.409 2.549 1.00 13.13 N ATOM 1828 CZ ARG A 119 -10.644 20.950 1.829 1.00 74.20 C ATOM 1829 NH1 ARG A 119 -10.434 21.384 0.625 1.00 42.51 N ATOM 1830 NH2 ARG A 119 -11.827 21.057 2.337 1.00 30.15 N ATOM 0 H ARG A 119 -5.141 18.511 3.929 1.00 60.25 H new ATOM 0 HA ARG A 119 -6.958 16.313 3.673 1.00 75.23 H new ATOM 0 HB2 ARG A 119 -8.667 18.108 3.563 1.00 10.50 H new ATOM 0 HB3 ARG A 119 -7.551 18.356 4.891 1.00 10.50 H new ATOM 0 HG2 ARG A 119 -7.521 20.515 4.147 1.00 71.43 H new ATOM 0 HG3 ARG A 119 -6.331 19.916 3.009 1.00 71.43 H new ATOM 0 HD2 ARG A 119 -7.915 21.222 1.746 1.00 14.13 H new ATOM 0 HD3 ARG A 119 -8.199 19.543 1.332 1.00 14.13 H new ATOM 0 HE ARG A 119 -9.935 20.054 3.471 1.00 13.13 H new ATOM 0 HH11 ARG A 119 -9.504 21.311 0.212 1.00 42.51 H new ATOM 0 HH12 ARG A 119 -11.198 21.798 0.092 1.00 42.51 H new ATOM 0 HH21 ARG A 119 -12.007 20.725 3.284 1.00 30.15 H new ATOM 0 HH22 ARG A 119 -12.581 21.474 1.791 1.00 30.15 H new ATOM 1844 N GLU A 120 -6.051 17.766 0.879 1.00 34.45 N ATOM 1845 CA GLU A 120 -6.009 17.547 -0.589 1.00 51.31 C ATOM 1846 C GLU A 120 -5.420 16.153 -0.897 1.00 50.21 C ATOM 1847 O GLU A 120 -6.003 15.373 -1.651 1.00 52.12 O ATOM 1848 CB GLU A 120 -5.186 18.661 -1.294 1.00 23.11 C ATOM 1849 CG GLU A 120 -5.023 18.487 -2.827 1.00 61.22 C ATOM 1850 CD GLU A 120 -6.360 18.403 -3.596 1.00 25.21 C ATOM 1851 OE1 GLU A 120 -7.104 19.404 -3.641 1.00 51.12 O ATOM 1852 OE2 GLU A 120 -6.681 17.331 -4.148 1.00 1.51 O ATOM 0 H GLU A 120 -5.385 18.462 1.214 1.00 34.45 H new ATOM 0 HA GLU A 120 -7.027 17.591 -0.976 1.00 51.31 H new ATOM 0 HB2 GLU A 120 -5.664 19.622 -1.102 1.00 23.11 H new ATOM 0 HB3 GLU A 120 -4.195 18.701 -0.841 1.00 23.11 H new ATOM 0 HG2 GLU A 120 -4.443 19.323 -3.217 1.00 61.22 H new ATOM 0 HG3 GLU A 120 -4.447 17.582 -3.020 1.00 61.22 H new ATOM 1859 N LEU A 121 -4.300 15.827 -0.223 1.00 1.41 N ATOM 1860 CA LEU A 121 -3.593 14.537 -0.395 1.00 62.34 C ATOM 1861 C LEU A 121 -4.400 13.380 0.226 1.00 33.23 C ATOM 1862 O LEU A 121 -4.216 12.229 -0.141 1.00 63.21 O ATOM 1863 CB LEU A 121 -2.158 14.600 0.199 1.00 12.31 C ATOM 1864 CG LEU A 121 -1.181 15.614 -0.481 1.00 41.11 C ATOM 1865 CD1 LEU A 121 0.230 15.539 0.144 1.00 74.45 C ATOM 1866 CD2 LEU A 121 -1.133 15.414 -2.012 1.00 73.24 C ATOM 0 H LEU A 121 -3.858 16.447 0.456 1.00 1.41 H new ATOM 0 HA LEU A 121 -3.501 14.346 -1.464 1.00 62.34 H new ATOM 0 HB2 LEU A 121 -2.234 14.852 1.257 1.00 12.31 H new ATOM 0 HB3 LEU A 121 -1.717 13.605 0.140 1.00 12.31 H new ATOM 0 HG LEU A 121 -1.568 16.616 -0.297 1.00 41.11 H new ATOM 0 HD11 LEU A 121 0.886 16.256 -0.350 1.00 74.45 H new ATOM 0 HD12 LEU A 121 0.170 15.775 1.207 1.00 74.45 H new ATOM 0 HD13 LEU A 121 0.631 14.533 0.017 1.00 74.45 H new ATOM 0 HD21 LEU A 121 -0.444 16.135 -2.452 1.00 73.24 H new ATOM 0 HD22 LEU A 121 -0.792 14.403 -2.236 1.00 73.24 H new ATOM 0 HD23 LEU A 121 -2.129 15.562 -2.430 1.00 73.24 H new ATOM 1878 N GLU A 122 -5.285 13.711 1.180 1.00 75.42 N ATOM 1879 CA GLU A 122 -6.244 12.768 1.787 1.00 45.00 C ATOM 1880 C GLU A 122 -7.128 12.111 0.692 1.00 54.31 C ATOM 1881 O GLU A 122 -7.340 10.894 0.686 1.00 22.35 O ATOM 1882 CB GLU A 122 -7.121 13.549 2.801 1.00 62.12 C ATOM 1883 CG GLU A 122 -7.985 12.693 3.739 1.00 71.30 C ATOM 1884 CD GLU A 122 -9.019 13.522 4.524 1.00 5.30 C ATOM 1885 OE1 GLU A 122 -10.092 13.833 3.957 1.00 15.32 O ATOM 1886 OE2 GLU A 122 -8.764 13.879 5.698 1.00 51.33 O ATOM 0 H GLU A 122 -5.357 14.655 1.559 1.00 75.42 H new ATOM 0 HA GLU A 122 -5.707 11.970 2.300 1.00 45.00 H new ATOM 0 HB2 GLU A 122 -6.469 14.175 3.410 1.00 62.12 H new ATOM 0 HB3 GLU A 122 -7.777 14.219 2.245 1.00 62.12 H new ATOM 0 HG2 GLU A 122 -8.504 11.933 3.154 1.00 71.30 H new ATOM 0 HG3 GLU A 122 -7.338 12.168 4.442 1.00 71.30 H new ATOM 1893 N SER A 123 -7.642 12.955 -0.220 1.00 24.02 N ATOM 1894 CA SER A 123 -8.387 12.509 -1.419 1.00 63.21 C ATOM 1895 C SER A 123 -7.468 11.839 -2.482 1.00 53.14 C ATOM 1896 O SER A 123 -7.772 10.745 -2.954 1.00 73.42 O ATOM 1897 CB SER A 123 -9.130 13.709 -2.043 1.00 51.42 C ATOM 1898 OG SER A 123 -10.011 14.324 -1.114 1.00 35.25 O ATOM 0 H SER A 123 -7.554 13.969 -0.150 1.00 24.02 H new ATOM 0 HA SER A 123 -9.101 11.752 -1.095 1.00 63.21 H new ATOM 0 HB2 SER A 123 -8.405 14.442 -2.396 1.00 51.42 H new ATOM 0 HB3 SER A 123 -9.695 13.374 -2.913 1.00 51.42 H new ATOM 0 HG SER A 123 -10.463 15.080 -1.543 1.00 35.25 H new ATOM 1904 N VAL A 124 -6.344 12.507 -2.843 1.00 2.24 N ATOM 1905 CA VAL A 124 -5.425 12.045 -3.929 1.00 73.04 C ATOM 1906 C VAL A 124 -4.772 10.673 -3.608 1.00 54.10 C ATOM 1907 O VAL A 124 -4.909 9.706 -4.359 1.00 23.43 O ATOM 1908 CB VAL A 124 -4.283 13.114 -4.179 1.00 32.22 C ATOM 1909 CG1 VAL A 124 -3.268 12.655 -5.259 1.00 3.13 C ATOM 1910 CG2 VAL A 124 -4.880 14.489 -4.548 1.00 71.31 C ATOM 0 H VAL A 124 -6.045 13.375 -2.398 1.00 2.24 H new ATOM 0 HA VAL A 124 -6.034 11.929 -4.825 1.00 73.04 H new ATOM 0 HB VAL A 124 -3.736 13.210 -3.241 1.00 32.22 H new ATOM 0 HG11 VAL A 124 -2.506 13.423 -5.392 1.00 3.13 H new ATOM 0 HG12 VAL A 124 -2.795 11.726 -4.942 1.00 3.13 H new ATOM 0 HG13 VAL A 124 -3.789 12.493 -6.203 1.00 3.13 H new ATOM 0 HG21 VAL A 124 -4.073 15.203 -4.714 1.00 71.31 H new ATOM 0 HG22 VAL A 124 -5.475 14.395 -5.457 1.00 71.31 H new ATOM 0 HG23 VAL A 124 -5.514 14.841 -3.734 1.00 71.31 H new ATOM 1920 N ILE A 125 -4.092 10.617 -2.463 1.00 52.32 N ATOM 1921 CA ILE A 125 -3.362 9.423 -1.998 1.00 3.14 C ATOM 1922 C ILE A 125 -4.333 8.415 -1.329 1.00 65.11 C ATOM 1923 O ILE A 125 -4.410 7.257 -1.737 1.00 42.02 O ATOM 1924 CB ILE A 125 -2.213 9.845 -0.997 1.00 14.11 C ATOM 1925 CG1 ILE A 125 -1.220 10.852 -1.672 1.00 1.34 C ATOM 1926 CG2 ILE A 125 -1.459 8.620 -0.416 1.00 50.52 C ATOM 1927 CD1 ILE A 125 -0.141 11.410 -0.746 1.00 74.55 C ATOM 0 H ILE A 125 -4.028 11.406 -1.820 1.00 52.32 H new ATOM 0 HA ILE A 125 -2.909 8.932 -2.859 1.00 3.14 H new ATOM 0 HB ILE A 125 -2.692 10.349 -0.157 1.00 14.11 H new ATOM 0 HG12 ILE A 125 -0.735 10.354 -2.512 1.00 1.34 H new ATOM 0 HG13 ILE A 125 -1.792 11.684 -2.082 1.00 1.34 H new ATOM 0 HG21 ILE A 125 -0.680 8.962 0.265 1.00 50.52 H new ATOM 0 HG22 ILE A 125 -2.160 7.984 0.124 1.00 50.52 H new ATOM 0 HG23 ILE A 125 -1.006 8.052 -1.229 1.00 50.52 H new ATOM 0 HD11 ILE A 125 0.497 12.097 -1.303 1.00 74.55 H new ATOM 0 HD12 ILE A 125 -0.611 11.941 0.082 1.00 74.55 H new ATOM 0 HD13 ILE A 125 0.462 10.591 -0.355 1.00 74.55 H new ATOM 1939 N GLY A 126 -5.096 8.892 -0.326 1.00 12.11 N ATOM 1940 CA GLY A 126 -5.950 8.023 0.507 1.00 62.42 C ATOM 1941 C GLY A 126 -7.093 7.311 -0.230 1.00 60.25 C ATOM 1942 O GLY A 126 -7.447 6.192 0.128 1.00 12.32 O ATOM 0 H GLY A 126 -5.138 9.879 -0.072 1.00 12.11 H new ATOM 0 HA2 GLY A 126 -5.320 7.268 0.978 1.00 62.42 H new ATOM 0 HA3 GLY A 126 -6.378 8.625 1.308 1.00 62.42 H new ATOM 1946 N ASP A 127 -7.686 7.946 -1.253 1.00 42.00 N ATOM 1947 CA ASP A 127 -8.825 7.343 -1.991 1.00 3.03 C ATOM 1948 C ASP A 127 -8.474 7.088 -3.482 1.00 53.52 C ATOM 1949 O ASP A 127 -8.781 6.019 -4.031 1.00 21.10 O ATOM 1950 CB ASP A 127 -10.074 8.253 -1.842 1.00 4.14 C ATOM 1951 CG ASP A 127 -11.384 7.483 -2.068 1.00 5.42 C ATOM 1952 OD1 ASP A 127 -11.857 6.816 -1.118 1.00 21.13 O ATOM 1953 OD2 ASP A 127 -11.930 7.509 -3.185 1.00 22.22 O ATOM 0 H ASP A 127 -7.405 8.867 -1.591 1.00 42.00 H new ATOM 0 HA ASP A 127 -9.047 6.368 -1.558 1.00 3.03 H new ATOM 0 HB2 ASP A 127 -10.082 8.696 -0.846 1.00 4.14 H new ATOM 0 HB3 ASP A 127 -10.010 9.075 -2.555 1.00 4.14 H new ATOM 1958 N GLY A 128 -7.807 8.070 -4.110 1.00 31.43 N ATOM 1959 CA GLY A 128 -7.437 8.004 -5.533 1.00 11.04 C ATOM 1960 C GLY A 128 -6.349 6.971 -5.845 1.00 32.22 C ATOM 1961 O GLY A 128 -6.344 6.376 -6.920 1.00 33.00 O ATOM 0 H GLY A 128 -7.510 8.929 -3.647 1.00 31.43 H new ATOM 0 HA2 GLY A 128 -8.326 7.769 -6.119 1.00 11.04 H new ATOM 0 HA3 GLY A 128 -7.094 8.987 -5.855 1.00 11.04 H new ATOM 1965 N VAL A 129 -5.410 6.777 -4.906 1.00 71.42 N ATOM 1966 CA VAL A 129 -4.362 5.739 -5.015 1.00 75.21 C ATOM 1967 C VAL A 129 -4.777 4.454 -4.256 1.00 14.44 C ATOM 1968 O VAL A 129 -4.845 3.368 -4.847 1.00 52.42 O ATOM 1969 CB VAL A 129 -2.978 6.273 -4.481 1.00 0.33 C ATOM 1970 CG1 VAL A 129 -1.874 5.184 -4.488 1.00 30.44 C ATOM 1971 CG2 VAL A 129 -2.516 7.521 -5.278 1.00 44.30 C ATOM 0 H VAL A 129 -5.352 7.331 -4.051 1.00 71.42 H new ATOM 0 HA VAL A 129 -4.247 5.492 -6.070 1.00 75.21 H new ATOM 0 HB VAL A 129 -3.138 6.560 -3.442 1.00 0.33 H new ATOM 0 HG11 VAL A 129 -0.943 5.607 -4.111 1.00 30.44 H new ATOM 0 HG12 VAL A 129 -2.179 4.353 -3.852 1.00 30.44 H new ATOM 0 HG13 VAL A 129 -1.723 4.826 -5.506 1.00 30.44 H new ATOM 0 HG21 VAL A 129 -1.559 7.868 -4.888 1.00 44.30 H new ATOM 0 HG22 VAL A 129 -2.406 7.260 -6.331 1.00 44.30 H new ATOM 0 HG23 VAL A 129 -3.258 8.313 -5.176 1.00 44.30 H new ATOM 1981 N PHE A 130 -5.080 4.600 -2.947 1.00 70.04 N ATOM 1982 CA PHE A 130 -5.307 3.451 -2.033 1.00 12.02 C ATOM 1983 C PHE A 130 -6.619 2.716 -2.330 1.00 73.22 C ATOM 1984 O PHE A 130 -6.587 1.553 -2.721 1.00 34.44 O ATOM 1985 CB PHE A 130 -5.280 3.891 -0.533 1.00 24.13 C ATOM 1986 CG PHE A 130 -3.932 4.338 0.031 1.00 11.30 C ATOM 1987 CD1 PHE A 130 -2.847 4.642 -0.793 1.00 65.44 C ATOM 1988 CD2 PHE A 130 -3.753 4.444 1.412 1.00 22.04 C ATOM 1989 CE1 PHE A 130 -1.639 5.034 -0.263 1.00 62.31 C ATOM 1990 CE2 PHE A 130 -2.542 4.833 1.939 1.00 21.20 C ATOM 1991 CZ PHE A 130 -1.487 5.127 1.100 1.00 31.22 C ATOM 0 H PHE A 130 -5.174 5.509 -2.494 1.00 70.04 H new ATOM 0 HA PHE A 130 -4.483 2.760 -2.214 1.00 12.02 H new ATOM 0 HB2 PHE A 130 -5.989 4.709 -0.406 1.00 24.13 H new ATOM 0 HB3 PHE A 130 -5.642 3.059 0.071 1.00 24.13 H new ATOM 0 HD1 PHE A 130 -2.957 4.568 -1.865 1.00 65.44 H new ATOM 0 HD2 PHE A 130 -4.575 4.218 2.075 1.00 22.04 H new ATOM 0 HE1 PHE A 130 -0.812 5.268 -0.917 1.00 62.31 H new ATOM 0 HE2 PHE A 130 -2.418 4.908 3.009 1.00 21.20 H new ATOM 0 HZ PHE A 130 -0.538 5.431 1.516 1.00 31.22 H new ATOM 2001 N ALA A 131 -7.765 3.406 -2.151 1.00 50.11 N ATOM 2002 CA ALA A 131 -9.106 2.781 -2.310 1.00 14.33 C ATOM 2003 C ALA A 131 -9.283 2.162 -3.718 1.00 25.44 C ATOM 2004 O ALA A 131 -9.862 1.089 -3.866 1.00 20.32 O ATOM 2005 CB ALA A 131 -10.210 3.800 -2.020 1.00 40.02 C ATOM 0 H ALA A 131 -7.794 4.393 -1.897 1.00 50.11 H new ATOM 0 HA ALA A 131 -9.183 1.970 -1.586 1.00 14.33 H new ATOM 0 HB1 ALA A 131 -11.184 3.326 -2.141 1.00 40.02 H new ATOM 0 HB2 ALA A 131 -10.109 4.165 -0.998 1.00 40.02 H new ATOM 0 HB3 ALA A 131 -10.125 4.636 -2.714 1.00 40.02 H new ATOM 2011 N VAL A 132 -8.718 2.842 -4.725 1.00 64.11 N ATOM 2012 CA VAL A 132 -8.643 2.346 -6.114 1.00 3.51 C ATOM 2013 C VAL A 132 -7.861 1.001 -6.220 1.00 51.24 C ATOM 2014 O VAL A 132 -8.384 0.010 -6.750 1.00 3.21 O ATOM 2015 CB VAL A 132 -7.991 3.453 -7.026 1.00 35.15 C ATOM 2016 CG1 VAL A 132 -7.433 2.883 -8.343 1.00 64.43 C ATOM 2017 CG2 VAL A 132 -8.990 4.602 -7.302 1.00 50.24 C ATOM 0 H VAL A 132 -8.295 3.762 -4.601 1.00 64.11 H new ATOM 0 HA VAL A 132 -9.656 2.140 -6.458 1.00 3.51 H new ATOM 0 HB VAL A 132 -7.143 3.855 -6.472 1.00 35.15 H new ATOM 0 HG11 VAL A 132 -6.996 3.689 -8.932 1.00 64.43 H new ATOM 0 HG12 VAL A 132 -6.668 2.139 -8.122 1.00 64.43 H new ATOM 0 HG13 VAL A 132 -8.240 2.417 -8.909 1.00 64.43 H new ATOM 0 HG21 VAL A 132 -8.515 5.353 -7.934 1.00 50.24 H new ATOM 0 HG22 VAL A 132 -9.870 4.205 -7.809 1.00 50.24 H new ATOM 0 HG23 VAL A 132 -9.289 5.058 -6.358 1.00 50.24 H new ATOM 2027 N GLY A 133 -6.617 0.987 -5.696 1.00 53.32 N ATOM 2028 CA GLY A 133 -5.743 -0.198 -5.753 1.00 0.43 C ATOM 2029 C GLY A 133 -6.297 -1.405 -4.983 1.00 72.44 C ATOM 2030 O GLY A 133 -6.186 -2.547 -5.433 1.00 43.11 O ATOM 0 H GLY A 133 -6.196 1.789 -5.227 1.00 53.32 H new ATOM 0 HA2 GLY A 133 -5.593 -0.480 -6.795 1.00 0.43 H new ATOM 0 HA3 GLY A 133 -4.764 0.062 -5.350 1.00 0.43 H new ATOM 2034 N LEU A 134 -6.925 -1.121 -3.832 1.00 63.05 N ATOM 2035 CA LEU A 134 -7.536 -2.140 -2.955 1.00 30.35 C ATOM 2036 C LEU A 134 -8.813 -2.750 -3.579 1.00 51.23 C ATOM 2037 O LEU A 134 -9.065 -3.946 -3.428 1.00 21.21 O ATOM 2038 CB LEU A 134 -7.856 -1.528 -1.568 1.00 55.53 C ATOM 2039 CG LEU A 134 -6.632 -1.022 -0.736 1.00 3.34 C ATOM 2040 CD1 LEU A 134 -7.061 -0.620 0.687 1.00 42.42 C ATOM 2041 CD2 LEU A 134 -5.496 -2.062 -0.716 1.00 22.42 C ATOM 0 H LEU A 134 -7.026 -0.170 -3.478 1.00 63.05 H new ATOM 0 HA LEU A 134 -6.813 -2.947 -2.836 1.00 30.35 H new ATOM 0 HB2 LEU A 134 -8.541 -0.692 -1.712 1.00 55.53 H new ATOM 0 HB3 LEU A 134 -8.386 -2.276 -0.978 1.00 55.53 H new ATOM 0 HG LEU A 134 -6.241 -0.130 -1.226 1.00 3.34 H new ATOM 0 HD11 LEU A 134 -6.191 -0.272 1.244 1.00 42.42 H new ATOM 0 HD12 LEU A 134 -7.800 0.179 0.632 1.00 42.42 H new ATOM 0 HD13 LEU A 134 -7.495 -1.482 1.193 1.00 42.42 H new ATOM 0 HD21 LEU A 134 -4.661 -1.678 -0.129 1.00 22.42 H new ATOM 0 HD22 LEU A 134 -5.858 -2.988 -0.269 1.00 22.42 H new ATOM 0 HD23 LEU A 134 -5.163 -2.257 -1.735 1.00 22.42 H new ATOM 2053 N ASN A 135 -9.607 -1.914 -4.287 1.00 44.33 N ATOM 2054 CA ASN A 135 -10.822 -2.379 -5.005 1.00 41.32 C ATOM 2055 C ASN A 135 -10.438 -3.270 -6.208 1.00 31.31 C ATOM 2056 O ASN A 135 -11.082 -4.287 -6.452 1.00 45.12 O ATOM 2057 CB ASN A 135 -11.729 -1.184 -5.454 1.00 51.33 C ATOM 2058 CG ASN A 135 -12.832 -0.852 -4.439 1.00 14.04 C ATOM 2059 OD1 ASN A 135 -13.942 -1.366 -4.524 1.00 23.44 O ATOM 2060 ND2 ASN A 135 -12.540 -0.021 -3.459 1.00 31.12 N ATOM 0 H ASN A 135 -9.430 -0.914 -4.378 1.00 44.33 H new ATOM 0 HA ASN A 135 -11.406 -2.978 -4.307 1.00 41.32 H new ATOM 0 HB2 ASN A 135 -11.108 -0.302 -5.608 1.00 51.33 H new ATOM 0 HB3 ASN A 135 -12.187 -1.423 -6.414 1.00 51.33 H new ATOM 0 HD21 ASN A 135 -13.243 0.204 -2.755 1.00 31.12 H new ATOM 0 HD22 ASN A 135 -11.611 0.397 -3.404 1.00 31.12 H new ATOM 2067 N ALA A 136 -9.368 -2.887 -6.930 1.00 30.21 N ATOM 2068 CA ALA A 136 -8.820 -3.687 -8.050 1.00 60.42 C ATOM 2069 C ALA A 136 -8.272 -5.049 -7.563 1.00 31.31 C ATOM 2070 O ALA A 136 -8.440 -6.074 -8.236 1.00 33.20 O ATOM 2071 CB ALA A 136 -7.725 -2.895 -8.773 1.00 54.25 C ATOM 0 H ALA A 136 -8.859 -2.020 -6.758 1.00 30.21 H new ATOM 0 HA ALA A 136 -9.633 -3.892 -8.747 1.00 60.42 H new ATOM 0 HB1 ALA A 136 -7.328 -3.491 -9.595 1.00 54.25 H new ATOM 0 HB2 ALA A 136 -8.145 -1.969 -9.166 1.00 54.25 H new ATOM 0 HB3 ALA A 136 -6.923 -2.661 -8.073 1.00 54.25 H new ATOM 2077 N LEU A 137 -7.626 -5.040 -6.381 1.00 1.24 N ATOM 2078 CA LEU A 137 -7.151 -6.267 -5.700 1.00 74.20 C ATOM 2079 C LEU A 137 -8.357 -7.167 -5.304 1.00 30.43 C ATOM 2080 O LEU A 137 -8.328 -8.391 -5.480 1.00 40.01 O ATOM 2081 CB LEU A 137 -6.269 -5.877 -4.470 1.00 4.21 C ATOM 2082 CG LEU A 137 -5.479 -7.032 -3.743 1.00 4.13 C ATOM 2083 CD1 LEU A 137 -4.251 -6.490 -2.980 1.00 44.33 C ATOM 2084 CD2 LEU A 137 -6.366 -7.845 -2.775 1.00 15.41 C ATOM 0 H LEU A 137 -7.417 -4.183 -5.869 1.00 1.24 H new ATOM 0 HA LEU A 137 -6.530 -6.850 -6.380 1.00 74.20 H new ATOM 0 HB2 LEU A 137 -5.546 -5.130 -4.798 1.00 4.21 H new ATOM 0 HB3 LEU A 137 -6.913 -5.395 -3.734 1.00 4.21 H new ATOM 0 HG LEU A 137 -5.143 -7.701 -4.535 1.00 4.13 H new ATOM 0 HD11 LEU A 137 -3.732 -7.315 -2.492 1.00 44.33 H new ATOM 0 HD12 LEU A 137 -3.575 -6.000 -3.680 1.00 44.33 H new ATOM 0 HD13 LEU A 137 -4.578 -5.772 -2.228 1.00 44.33 H new ATOM 0 HD21 LEU A 137 -5.769 -8.626 -2.303 1.00 15.41 H new ATOM 0 HD22 LEU A 137 -6.769 -7.183 -2.008 1.00 15.41 H new ATOM 0 HD23 LEU A 137 -7.187 -8.301 -3.329 1.00 15.41 H new ATOM 2096 N ALA A 138 -9.414 -6.536 -4.779 1.00 61.43 N ATOM 2097 CA ALA A 138 -10.651 -7.237 -4.375 1.00 21.01 C ATOM 2098 C ALA A 138 -11.390 -7.849 -5.593 1.00 4.22 C ATOM 2099 O ALA A 138 -12.033 -8.883 -5.466 1.00 33.52 O ATOM 2100 CB ALA A 138 -11.568 -6.276 -3.619 1.00 43.44 C ATOM 0 H ALA A 138 -9.442 -5.529 -4.620 1.00 61.43 H new ATOM 0 HA ALA A 138 -10.372 -8.061 -3.718 1.00 21.01 H new ATOM 0 HB1 ALA A 138 -12.478 -6.798 -3.324 1.00 43.44 H new ATOM 0 HB2 ALA A 138 -11.056 -5.908 -2.730 1.00 43.44 H new ATOM 0 HB3 ALA A 138 -11.825 -5.435 -4.264 1.00 43.44 H new ATOM 2106 N GLU A 139 -11.293 -7.184 -6.765 1.00 44.55 N ATOM 2107 CA GLU A 139 -11.923 -7.650 -8.023 1.00 32.24 C ATOM 2108 C GLU A 139 -11.159 -8.826 -8.677 1.00 14.05 C ATOM 2109 O GLU A 139 -11.791 -9.755 -9.194 1.00 2.41 O ATOM 2110 CB GLU A 139 -12.084 -6.478 -9.030 1.00 20.22 C ATOM 2111 CG GLU A 139 -13.126 -5.422 -8.612 1.00 23.13 C ATOM 2112 CD GLU A 139 -13.327 -4.333 -9.677 1.00 52.31 C ATOM 2113 OE1 GLU A 139 -12.486 -3.409 -9.770 1.00 52.51 O ATOM 2114 OE2 GLU A 139 -14.312 -4.410 -10.450 1.00 23.12 O ATOM 0 H GLU A 139 -10.777 -6.310 -6.867 1.00 44.55 H new ATOM 0 HA GLU A 139 -12.911 -8.024 -7.754 1.00 32.24 H new ATOM 0 HB2 GLU A 139 -11.119 -5.988 -9.157 1.00 20.22 H new ATOM 0 HB3 GLU A 139 -12.366 -6.885 -10.001 1.00 20.22 H new ATOM 0 HG2 GLU A 139 -14.079 -5.915 -8.418 1.00 23.13 H new ATOM 0 HG3 GLU A 139 -12.811 -4.957 -7.678 1.00 23.13 H new ATOM 2121 N ARG A 140 -9.806 -8.789 -8.665 1.00 75.14 N ATOM 2122 CA ARG A 140 -8.984 -9.873 -9.274 1.00 10.01 C ATOM 2123 C ARG A 140 -9.115 -11.214 -8.501 1.00 30.22 C ATOM 2124 O ARG A 140 -8.971 -12.283 -9.092 1.00 11.23 O ATOM 2125 CB ARG A 140 -7.482 -9.479 -9.430 1.00 70.53 C ATOM 2126 CG ARG A 140 -6.765 -9.015 -8.133 1.00 41.24 C ATOM 2127 CD ARG A 140 -5.239 -9.285 -8.124 1.00 22.32 C ATOM 2128 NE ARG A 140 -4.567 -8.894 -9.384 1.00 33.13 N ATOM 2129 CZ ARG A 140 -4.046 -9.733 -10.264 1.00 23.30 C ATOM 2130 NH1 ARG A 140 -4.145 -11.023 -10.117 1.00 24.10 N ATOM 2131 NH2 ARG A 140 -3.468 -9.270 -11.323 1.00 43.30 N ATOM 0 H ARG A 140 -9.262 -8.034 -8.248 1.00 75.14 H new ATOM 0 HA ARG A 140 -9.390 -10.018 -10.275 1.00 10.01 H new ATOM 0 HB2 ARG A 140 -6.942 -10.335 -9.834 1.00 70.53 H new ATOM 0 HB3 ARG A 140 -7.411 -8.680 -10.168 1.00 70.53 H new ATOM 0 HG2 ARG A 140 -6.935 -7.947 -7.999 1.00 41.24 H new ATOM 0 HG3 ARG A 140 -7.218 -9.520 -7.280 1.00 41.24 H new ATOM 0 HD2 ARG A 140 -4.786 -8.741 -7.295 1.00 22.32 H new ATOM 0 HD3 ARG A 140 -5.066 -10.346 -7.942 1.00 22.32 H new ATOM 0 HE ARG A 140 -4.500 -7.897 -9.590 1.00 33.13 H new ATOM 0 HH11 ARG A 140 -4.633 -11.408 -9.309 1.00 24.10 H new ATOM 0 HH12 ARG A 140 -3.734 -11.648 -10.810 1.00 24.10 H new ATOM 0 HH21 ARG A 140 -3.416 -8.263 -11.476 1.00 43.30 H new ATOM 0 HH22 ARG A 140 -3.064 -9.912 -12.005 1.00 43.30 H new ATOM 2145 N TYR A 141 -9.366 -11.153 -7.184 1.00 71.32 N ATOM 2146 CA TYR A 141 -9.714 -12.355 -6.382 1.00 45.23 C ATOM 2147 C TYR A 141 -11.238 -12.592 -6.357 1.00 24.04 C ATOM 2148 O TYR A 141 -11.699 -13.737 -6.241 1.00 4.32 O ATOM 2149 CB TYR A 141 -9.184 -12.211 -4.948 1.00 61.01 C ATOM 2150 CG TYR A 141 -7.654 -12.238 -4.832 1.00 31.10 C ATOM 2151 CD1 TYR A 141 -6.934 -13.426 -5.013 1.00 71.31 C ATOM 2152 CD2 TYR A 141 -6.935 -11.098 -4.499 1.00 61.14 C ATOM 2153 CE1 TYR A 141 -5.563 -13.464 -4.862 1.00 40.43 C ATOM 2154 CE2 TYR A 141 -5.575 -11.127 -4.354 1.00 63.03 C ATOM 2155 CZ TYR A 141 -4.887 -12.310 -4.532 1.00 23.11 C ATOM 2156 OH TYR A 141 -3.521 -12.332 -4.385 1.00 23.12 O ATOM 0 H TYR A 141 -9.337 -10.288 -6.644 1.00 71.32 H new ATOM 0 HA TYR A 141 -9.243 -13.217 -6.855 1.00 45.23 H new ATOM 0 HB2 TYR A 141 -9.551 -11.274 -4.530 1.00 61.01 H new ATOM 0 HB3 TYR A 141 -9.597 -13.015 -4.339 1.00 61.01 H new ATOM 0 HD1 TYR A 141 -7.463 -14.330 -5.276 1.00 71.31 H new ATOM 0 HD2 TYR A 141 -7.462 -10.167 -4.351 1.00 61.14 H new ATOM 0 HE1 TYR A 141 -5.025 -14.390 -5.001 1.00 40.43 H new ATOM 0 HE2 TYR A 141 -5.040 -10.224 -4.100 1.00 63.03 H new ATOM 0 HH TYR A 141 -3.249 -13.183 -3.983 1.00 23.12 H new ATOM 2166 N GLY A 142 -12.011 -11.499 -6.469 1.00 3.44 N ATOM 2167 CA GLY A 142 -13.481 -11.558 -6.457 1.00 50.11 C ATOM 2168 C GLY A 142 -14.068 -11.893 -7.827 1.00 13.42 C ATOM 2169 O GLY A 142 -14.784 -11.088 -8.430 1.00 25.30 O ATOM 0 H GLY A 142 -11.637 -10.555 -6.570 1.00 3.44 H new ATOM 0 HA2 GLY A 142 -13.805 -12.307 -5.734 1.00 50.11 H new ATOM 0 HA3 GLY A 142 -13.876 -10.599 -6.121 1.00 50.11 H new