USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 815 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 83 GLN : amide:sc= 0.415 K(o=0.37,f=-6.9!) USER MOD Set 1.2: A 85 ASN : amide:sc= -0.0438 K(o=0.37,f=-2.1) USER MOD Set 2.1: A 23 CYS SG : rot 60:sc= -2.55! USER MOD Set 2.2: A 97 CYS SG : rot 24:sc= -0.205 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -4.29! K(o=-4.3!,f=-2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -46:sc= 0.0325 USER MOD Single : A 29 THR OG1 : rot 112:sc= 0.156 USER MOD Single : A 32 SER OG : rot 40:sc= 0.176 USER MOD Single : A 33 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.039) USER MOD Single : A 35 MET CE :methyl -156:sc= -0.563 (180deg=-2.5) USER MOD Single : A 40 GLN : amide:sc= 0.483 K(o=0.48,f=-0.15) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -88:sc= 0.564 USER MOD Single : A 59 THR OG1 : rot 37:sc= 0.074 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= 0.694 (180deg=0.385) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.629 K(o=0.63,f=-3.8!) USER MOD Single : A 77 LYS NZ :NH3+ -124:sc= 0.0187 (180deg=-0.507) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 MET CE :methyl -136:sc= -0.158 (180deg=-2.13) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 139:sc= -1.25! (180deg=-4.07!) USER MOD Single : A 92 THR OG1 : rot 86:sc= 0.255 USER MOD Single : A 95 TYR OH : rot 180:sc= 0.275 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.634 K(o=-0.63,f=-4.4!) USER MOD Single : A 117 THR OG1 : rot 130:sc= 0.0151 USER MOD Single : A 118 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.67) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc=-0.00681 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 1.422 2.797 -5.902 1.00 0.00 N ATOM 38 CA LEU A 3 2.240 3.408 -6.965 1.00 0.00 C ATOM 39 C LEU A 3 2.009 4.930 -6.938 1.00 0.00 C ATOM 40 O LEU A 3 0.895 5.404 -7.177 1.00 0.00 O ATOM 41 CB LEU A 3 1.897 2.784 -8.359 1.00 0.00 C ATOM 42 CG LEU A 3 2.926 2.994 -9.535 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.007 4.456 -10.018 1.00 0.00 C ATOM 44 CD2 LEU A 3 4.325 2.460 -9.162 1.00 0.00 C ATOM 0 HA LEU A 3 3.297 3.207 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.761 1.711 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.937 3.188 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 3 2.545 2.411 -10.373 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.733 4.532 -10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.028 4.776 -10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.317 5.096 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.010 2.621 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.693 2.988 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.261 1.394 -8.945 1.00 0.00 H new ATOM 56 N GLN A 4 3.080 5.666 -6.633 1.00 0.00 N ATOM 57 CA GLN A 4 3.090 7.140 -6.560 1.00 0.00 C ATOM 58 C GLN A 4 3.765 7.687 -7.839 1.00 0.00 C ATOM 59 O GLN A 4 4.601 7.001 -8.428 1.00 0.00 O ATOM 60 CB GLN A 4 3.867 7.585 -5.281 1.00 0.00 C ATOM 61 CG GLN A 4 3.518 6.762 -4.023 1.00 0.00 C ATOM 62 CD GLN A 4 4.301 7.184 -2.783 1.00 0.00 C ATOM 63 OE1 GLN A 4 5.405 6.697 -2.536 1.00 0.00 O ATOM 64 NE2 GLN A 4 3.730 8.076 -1.987 1.00 0.00 N ATOM 0 H GLN A 4 3.988 5.250 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 4 2.076 7.534 -6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.937 7.505 -5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.656 8.636 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.451 6.858 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.710 5.708 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.814 8.458 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.206 8.381 -1.138 1.00 0.00 H new ATOM 73 N LEU A 5 3.379 8.893 -8.298 1.00 0.00 N ATOM 74 CA LEU A 5 3.991 9.543 -9.487 1.00 0.00 C ATOM 75 C LEU A 5 4.363 11.003 -9.161 1.00 0.00 C ATOM 76 O LEU A 5 3.479 11.855 -9.000 1.00 0.00 O ATOM 77 CB LEU A 5 3.029 9.466 -10.712 1.00 0.00 C ATOM 78 CG LEU A 5 2.784 8.036 -11.304 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.665 8.043 -12.365 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.095 7.432 -11.875 1.00 0.00 C ATOM 0 H LEU A 5 2.640 9.446 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 5 4.904 9.009 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.067 9.887 -10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.428 10.101 -11.503 1.00 0.00 H new ATOM 0 HG LEU A 5 2.452 7.398 -10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.524 7.034 -12.752 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.736 8.391 -11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.942 8.710 -13.182 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.893 6.440 -12.278 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.477 8.075 -12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.837 7.356 -11.080 1.00 0.00 H new ATOM 92 N VAL A 6 5.682 11.274 -9.049 1.00 0.00 N ATOM 93 CA VAL A 6 6.234 12.627 -8.813 1.00 0.00 C ATOM 94 C VAL A 6 6.923 13.114 -10.101 1.00 0.00 C ATOM 95 O VAL A 6 7.996 12.622 -10.464 1.00 0.00 O ATOM 96 CB VAL A 6 7.247 12.663 -7.600 1.00 0.00 C ATOM 97 CG1 VAL A 6 7.891 14.074 -7.436 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.544 12.221 -6.286 1.00 0.00 C ATOM 0 H VAL A 6 6.400 10.553 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 6 5.410 13.290 -8.550 1.00 0.00 H new ATOM 0 HB VAL A 6 8.050 11.958 -7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.582 14.063 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.432 14.335 -8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.109 14.812 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.258 12.253 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.714 12.895 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.166 11.205 -6.400 1.00 0.00 H new ATOM 108 N GLU A 7 6.288 14.078 -10.779 1.00 0.00 N ATOM 109 CA GLU A 7 6.720 14.584 -12.093 1.00 0.00 C ATOM 110 C GLU A 7 7.508 15.898 -11.970 1.00 0.00 C ATOM 111 O GLU A 7 7.332 16.660 -11.007 1.00 0.00 O ATOM 112 CB GLU A 7 5.489 14.796 -12.991 1.00 0.00 C ATOM 113 CG GLU A 7 4.691 13.514 -13.251 1.00 0.00 C ATOM 114 CD GLU A 7 3.443 13.765 -14.087 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.583 14.109 -15.274 1.00 0.00 O ATOM 116 OE2 GLU A 7 2.321 13.615 -13.563 1.00 0.00 O ATOM 0 H GLU A 7 5.447 14.537 -10.427 1.00 0.00 H new ATOM 0 HA GLU A 7 7.384 13.842 -12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.834 15.534 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.813 15.212 -13.945 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.327 12.791 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.403 13.069 -12.298 1.00 0.00 H new ATOM 123 N SER A 8 8.354 16.143 -12.986 1.00 0.00 N ATOM 124 CA SER A 8 9.219 17.329 -13.122 1.00 0.00 C ATOM 125 C SER A 8 9.503 17.580 -14.620 1.00 0.00 C ATOM 126 O SER A 8 9.431 16.649 -15.437 1.00 0.00 O ATOM 127 CB SER A 8 10.558 17.124 -12.355 1.00 0.00 C ATOM 128 OG SER A 8 10.352 16.997 -10.952 1.00 0.00 O ATOM 0 H SER A 8 8.458 15.494 -13.766 1.00 0.00 H new ATOM 0 HA SER A 8 8.709 18.192 -12.693 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.059 16.232 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.221 17.967 -12.550 1.00 0.00 H new ATOM 0 HG SER A 8 11.215 16.868 -10.505 1.00 0.00 H new ATOM 134 N GLY A 9 9.822 18.841 -14.964 1.00 0.00 N ATOM 135 CA GLY A 9 10.190 19.235 -16.339 1.00 0.00 C ATOM 136 C GLY A 9 9.274 20.312 -16.913 1.00 0.00 C ATOM 137 O GLY A 9 9.553 20.854 -17.986 1.00 0.00 O ATOM 0 H GLY A 9 9.832 19.615 -14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.218 19.598 -16.345 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.159 18.357 -16.984 1.00 0.00 H new ATOM 141 N GLY A 10 8.176 20.611 -16.193 1.00 0.00 N ATOM 142 CA GLY A 10 7.208 21.624 -16.615 1.00 0.00 C ATOM 143 C GLY A 10 7.742 23.049 -16.504 1.00 0.00 C ATOM 144 O GLY A 10 7.616 23.686 -15.451 1.00 0.00 O ATOM 0 H GLY A 10 7.942 20.157 -15.310 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.917 21.431 -17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.308 21.532 -16.008 1.00 0.00 H new ATOM 148 N GLY A 11 8.367 23.531 -17.595 1.00 0.00 N ATOM 149 CA GLY A 11 8.881 24.905 -17.683 1.00 0.00 C ATOM 150 C GLY A 11 8.573 25.528 -19.032 1.00 0.00 C ATOM 151 O GLY A 11 7.892 24.913 -19.864 1.00 0.00 O ATOM 0 H GLY A 11 8.528 22.978 -18.437 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.440 25.511 -16.892 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.959 24.903 -17.519 1.00 0.00 H new ATOM 155 N LEU A 12 9.080 26.755 -19.252 1.00 0.00 N ATOM 156 CA LEU A 12 8.830 27.517 -20.484 1.00 0.00 C ATOM 157 C LEU A 12 9.974 27.290 -21.485 1.00 0.00 C ATOM 158 O LEU A 12 11.133 27.617 -21.205 1.00 0.00 O ATOM 159 CB LEU A 12 8.635 29.024 -20.155 1.00 0.00 C ATOM 160 CG LEU A 12 8.068 29.953 -21.298 1.00 0.00 C ATOM 161 CD1 LEU A 12 7.330 31.183 -20.711 1.00 0.00 C ATOM 162 CD2 LEU A 12 9.172 30.419 -22.284 1.00 0.00 C ATOM 0 H LEU A 12 9.673 27.243 -18.581 1.00 0.00 H new ATOM 0 HA LEU A 12 7.910 27.163 -20.949 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.964 29.097 -19.299 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.598 29.427 -19.841 1.00 0.00 H new ATOM 0 HG LEU A 12 7.356 29.347 -21.858 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.952 31.802 -21.524 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.497 30.847 -20.093 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.021 31.766 -20.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.730 31.055 -23.051 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.932 30.980 -21.740 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.631 29.549 -22.754 1.00 0.00 H new ATOM 174 N VAL A 13 9.626 26.720 -22.647 1.00 0.00 N ATOM 175 CA VAL A 13 10.524 26.586 -23.809 1.00 0.00 C ATOM 176 C VAL A 13 9.915 27.337 -25.013 1.00 0.00 C ATOM 177 O VAL A 13 8.760 27.743 -24.975 1.00 0.00 O ATOM 178 CB VAL A 13 10.785 25.070 -24.175 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.533 24.330 -23.030 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.463 24.343 -24.540 1.00 0.00 C ATOM 0 H VAL A 13 8.697 26.332 -22.811 1.00 0.00 H new ATOM 0 HA VAL A 13 11.488 27.025 -23.552 1.00 0.00 H new ATOM 0 HB VAL A 13 11.428 25.053 -25.055 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.696 23.290 -23.314 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.494 24.813 -22.852 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.934 24.367 -22.120 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.676 23.303 -24.787 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.780 24.382 -23.691 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.003 24.833 -25.399 1.00 0.00 H new ATOM 190 N GLN A 14 10.723 27.531 -26.058 1.00 0.00 N ATOM 191 CA GLN A 14 10.287 28.144 -27.334 1.00 0.00 C ATOM 192 C GLN A 14 9.651 27.083 -28.252 1.00 0.00 C ATOM 193 O GLN A 14 9.979 25.883 -28.162 1.00 0.00 O ATOM 194 CB GLN A 14 11.482 28.838 -28.079 1.00 0.00 C ATOM 195 CG GLN A 14 12.594 27.908 -28.646 1.00 0.00 C ATOM 196 CD GLN A 14 13.396 27.150 -27.579 1.00 0.00 C ATOM 197 OE1 GLN A 14 14.398 27.646 -27.074 1.00 0.00 O ATOM 198 NE2 GLN A 14 12.925 25.977 -27.187 1.00 0.00 N ATOM 0 H GLN A 14 11.708 27.268 -26.051 1.00 0.00 H new ATOM 0 HA GLN A 14 9.546 28.906 -27.093 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.074 29.421 -28.905 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.948 29.543 -27.390 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.136 27.184 -29.320 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.282 28.507 -29.242 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.089 25.590 -27.626 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.397 25.460 -26.446 1.00 0.00 H new ATOM 207 N ALA A 15 8.740 27.541 -29.132 1.00 0.00 N ATOM 208 CA ALA A 15 8.165 26.712 -30.200 1.00 0.00 C ATOM 209 C ALA A 15 9.248 26.380 -31.238 1.00 0.00 C ATOM 210 O ALA A 15 9.886 27.284 -31.787 1.00 0.00 O ATOM 211 CB ALA A 15 6.979 27.431 -30.852 1.00 0.00 C ATOM 0 H ALA A 15 8.384 28.497 -29.119 1.00 0.00 H new ATOM 0 HA ALA A 15 7.797 25.779 -29.773 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.563 26.805 -31.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.213 27.624 -30.101 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.316 28.376 -31.278 1.00 0.00 H new ATOM 217 N GLY A 16 9.474 25.082 -31.441 1.00 0.00 N ATOM 218 CA GLY A 16 10.498 24.560 -32.346 1.00 0.00 C ATOM 219 C GLY A 16 11.591 23.828 -31.581 1.00 0.00 C ATOM 220 O GLY A 16 12.269 22.958 -32.138 1.00 0.00 O ATOM 0 H GLY A 16 8.940 24.350 -30.972 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.039 23.882 -33.066 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.936 25.380 -32.915 1.00 0.00 H new ATOM 224 N GLY A 17 11.723 24.159 -30.277 1.00 0.00 N ATOM 225 CA GLY A 17 12.715 23.536 -29.396 1.00 0.00 C ATOM 226 C GLY A 17 12.272 22.186 -28.840 1.00 0.00 C ATOM 227 O GLY A 17 11.297 21.594 -29.303 1.00 0.00 O ATOM 0 H GLY A 17 11.145 24.862 -29.816 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.647 23.405 -29.946 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.927 24.210 -28.566 1.00 0.00 H new ATOM 231 N SER A 18 13.000 21.697 -27.832 1.00 0.00 N ATOM 232 CA SER A 18 12.763 20.376 -27.221 1.00 0.00 C ATOM 233 C SER A 18 12.618 20.496 -25.692 1.00 0.00 C ATOM 234 O SER A 18 13.115 21.454 -25.080 1.00 0.00 O ATOM 235 CB SER A 18 13.925 19.427 -27.593 1.00 0.00 C ATOM 236 OG SER A 18 15.180 19.985 -27.246 1.00 0.00 O ATOM 0 H SER A 18 13.777 22.206 -27.411 1.00 0.00 H new ATOM 0 HA SER A 18 11.829 19.966 -27.606 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.795 18.473 -27.082 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.900 19.221 -28.663 1.00 0.00 H new ATOM 0 HG SER A 18 15.895 19.361 -27.492 1.00 0.00 H new ATOM 242 N LEU A 19 11.931 19.514 -25.093 1.00 0.00 N ATOM 243 CA LEU A 19 11.730 19.419 -23.638 1.00 0.00 C ATOM 244 C LEU A 19 11.544 17.946 -23.265 1.00 0.00 C ATOM 245 O LEU A 19 10.793 17.229 -23.934 1.00 0.00 O ATOM 246 CB LEU A 19 10.497 20.256 -23.196 1.00 0.00 C ATOM 247 CG LEU A 19 10.190 20.299 -21.663 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.373 20.897 -20.860 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.867 21.056 -21.388 1.00 0.00 C ATOM 0 H LEU A 19 11.493 18.752 -25.611 1.00 0.00 H new ATOM 0 HA LEU A 19 12.602 19.821 -23.122 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.638 21.279 -23.544 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.618 19.864 -23.708 1.00 0.00 H new ATOM 0 HG LEU A 19 10.062 19.273 -21.318 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.123 20.911 -19.799 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.263 20.287 -21.015 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.566 21.914 -21.200 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.674 21.073 -20.315 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.949 22.078 -21.758 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.046 20.550 -21.896 1.00 0.00 H new ATOM 261 N ARG A 20 12.249 17.499 -22.215 1.00 0.00 N ATOM 262 CA ARG A 20 12.119 16.132 -21.686 1.00 0.00 C ATOM 263 C ARG A 20 11.500 16.177 -20.282 1.00 0.00 C ATOM 264 O ARG A 20 12.006 16.867 -19.390 1.00 0.00 O ATOM 265 CB ARG A 20 13.489 15.406 -21.649 1.00 0.00 C ATOM 266 CG ARG A 20 13.402 13.917 -21.215 1.00 0.00 C ATOM 267 CD ARG A 20 14.764 13.201 -21.242 1.00 0.00 C ATOM 268 NE ARG A 20 15.408 13.297 -22.568 1.00 0.00 N ATOM 269 CZ ARG A 20 16.455 12.576 -22.991 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.000 11.639 -22.229 1.00 0.00 N ATOM 271 NH2 ARG A 20 16.948 12.800 -24.198 1.00 0.00 N ATOM 0 H ARG A 20 12.924 18.073 -21.709 1.00 0.00 H new ATOM 0 HA ARG A 20 11.465 15.568 -22.352 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.944 15.460 -22.638 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.151 15.936 -20.964 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.989 13.862 -20.208 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.709 13.393 -21.873 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.419 13.637 -20.487 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.628 12.152 -20.979 1.00 0.00 H new ATOM 0 HE ARG A 20 15.019 13.976 -23.223 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.623 11.454 -21.299 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.797 11.102 -22.572 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.531 13.515 -24.795 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.745 12.258 -24.532 1.00 0.00 H new ATOM 285 N LEU A 21 10.391 15.452 -20.116 1.00 0.00 N ATOM 286 CA LEU A 21 9.722 15.267 -18.828 1.00 0.00 C ATOM 287 C LEU A 21 10.340 14.065 -18.099 1.00 0.00 C ATOM 288 O LEU A 21 10.933 13.178 -18.730 1.00 0.00 O ATOM 289 CB LEU A 21 8.184 15.064 -19.022 1.00 0.00 C ATOM 290 CG LEU A 21 7.368 16.280 -19.583 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.621 17.549 -18.751 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.631 16.524 -21.088 1.00 0.00 C ATOM 0 H LEU A 21 9.926 14.970 -20.885 1.00 0.00 H new ATOM 0 HA LEU A 21 9.863 16.163 -18.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.037 14.219 -19.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.756 14.784 -18.059 1.00 0.00 H new ATOM 0 HG LEU A 21 6.312 16.024 -19.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.042 18.376 -19.163 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.319 17.374 -17.719 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.682 17.798 -18.781 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.042 17.376 -21.427 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.690 16.730 -21.244 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.346 15.638 -21.655 1.00 0.00 H new ATOM 304 N SER A 22 10.190 14.054 -16.777 1.00 0.00 N ATOM 305 CA SER A 22 10.725 13.013 -15.896 1.00 0.00 C ATOM 306 C SER A 22 9.711 12.745 -14.779 1.00 0.00 C ATOM 307 O SER A 22 9.164 13.685 -14.210 1.00 0.00 O ATOM 308 CB SER A 22 12.089 13.466 -15.318 1.00 0.00 C ATOM 309 OG SER A 22 11.997 14.744 -14.693 1.00 0.00 O ATOM 0 H SER A 22 9.683 14.783 -16.275 1.00 0.00 H new ATOM 0 HA SER A 22 10.888 12.091 -16.454 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.440 12.731 -14.594 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.829 13.504 -16.118 1.00 0.00 H new ATOM 0 HG SER A 22 12.874 14.999 -14.338 1.00 0.00 H new ATOM 315 N CYS A 23 9.457 11.462 -14.476 1.00 0.00 N ATOM 316 CA CYS A 23 8.463 11.051 -13.466 1.00 0.00 C ATOM 317 C CYS A 23 8.999 9.870 -12.650 1.00 0.00 C ATOM 318 O CYS A 23 9.233 8.793 -13.194 1.00 0.00 O ATOM 319 CB CYS A 23 7.135 10.658 -14.151 1.00 0.00 C ATOM 320 SG CYS A 23 5.833 10.146 -13.007 1.00 0.00 S ATOM 0 H CYS A 23 9.934 10.679 -14.923 1.00 0.00 H new ATOM 0 HA CYS A 23 8.279 11.891 -12.796 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.777 11.505 -14.736 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.327 9.846 -14.852 1.00 0.00 H new ATOM 0 HG CYS A 23 5.567 11.120 -12.188 1.00 0.00 H new ATOM 326 N VAL A 24 9.185 10.076 -11.340 1.00 0.00 N ATOM 327 CA VAL A 24 9.684 9.041 -10.430 1.00 0.00 C ATOM 328 C VAL A 24 8.500 8.160 -9.989 1.00 0.00 C ATOM 329 O VAL A 24 7.500 8.666 -9.460 1.00 0.00 O ATOM 330 CB VAL A 24 10.390 9.667 -9.171 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.053 8.571 -8.288 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.410 10.766 -9.588 1.00 0.00 C ATOM 0 H VAL A 24 8.993 10.967 -10.882 1.00 0.00 H new ATOM 0 HA VAL A 24 10.428 8.442 -10.955 1.00 0.00 H new ATOM 0 HB VAL A 24 9.623 10.147 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.532 9.038 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.292 7.871 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.801 8.036 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.882 11.181 -8.698 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.172 10.329 -10.233 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.891 11.559 -10.126 1.00 0.00 H new ATOM 342 N ALA A 25 8.619 6.854 -10.244 1.00 0.00 N ATOM 343 CA ALA A 25 7.583 5.863 -9.946 1.00 0.00 C ATOM 344 C ALA A 25 7.781 5.283 -8.531 1.00 0.00 C ATOM 345 O ALA A 25 8.714 4.494 -8.292 1.00 0.00 O ATOM 346 CB ALA A 25 7.595 4.745 -11.006 1.00 0.00 C ATOM 0 H ALA A 25 9.453 6.450 -10.671 1.00 0.00 H new ATOM 0 HA ALA A 25 6.610 6.353 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.820 4.015 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.405 5.174 -11.990 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.568 4.254 -11.006 1.00 0.00 H new ATOM 352 N SER A 26 6.949 5.774 -7.598 1.00 0.00 N ATOM 353 CA SER A 26 6.771 5.232 -6.237 1.00 0.00 C ATOM 354 C SER A 26 8.014 5.478 -5.351 1.00 0.00 C ATOM 355 O SER A 26 8.204 4.805 -4.333 1.00 0.00 O ATOM 356 CB SER A 26 6.363 3.731 -6.298 1.00 0.00 C ATOM 357 OG SER A 26 5.935 3.244 -5.038 1.00 0.00 O ATOM 0 H SER A 26 6.360 6.588 -7.775 1.00 0.00 H new ATOM 0 HA SER A 26 5.954 5.772 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.563 3.603 -7.027 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.210 3.139 -6.646 1.00 0.00 H new ATOM 0 HG SER A 26 6.567 3.528 -4.345 1.00 0.00 H new ATOM 363 N GLY A 27 8.818 6.494 -5.723 1.00 0.00 N ATOM 364 CA GLY A 27 10.073 6.791 -5.034 1.00 0.00 C ATOM 365 C GLY A 27 11.100 5.687 -5.235 1.00 0.00 C ATOM 366 O GLY A 27 11.561 5.080 -4.264 1.00 0.00 O ATOM 0 H GLY A 27 8.612 7.121 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.476 7.734 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.882 6.920 -3.969 1.00 0.00 H new ATOM 370 N ARG A 28 11.400 5.407 -6.524 1.00 0.00 N ATOM 371 CA ARG A 28 12.402 4.404 -6.950 1.00 0.00 C ATOM 372 C ARG A 28 12.021 2.994 -6.446 1.00 0.00 C ATOM 373 O ARG A 28 12.779 2.334 -5.722 1.00 0.00 O ATOM 374 CB ARG A 28 13.833 4.838 -6.510 1.00 0.00 C ATOM 375 CG ARG A 28 14.249 6.232 -7.046 1.00 0.00 C ATOM 376 CD ARG A 28 15.654 6.661 -6.608 1.00 0.00 C ATOM 377 NE ARG A 28 15.744 6.841 -5.153 1.00 0.00 N ATOM 378 CZ ARG A 28 16.852 7.136 -4.469 1.00 0.00 C ATOM 379 NH1 ARG A 28 18.019 7.292 -5.081 1.00 0.00 N ATOM 380 NH2 ARG A 28 16.784 7.267 -3.158 1.00 0.00 N ATOM 0 H ARG A 28 10.947 5.878 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 28 12.409 4.351 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.883 4.847 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.552 4.095 -6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.204 6.222 -8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.528 6.974 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.378 5.911 -6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.921 7.593 -7.106 1.00 0.00 H new ATOM 0 HE ARG A 28 14.883 6.731 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.082 7.187 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.853 7.517 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.892 7.143 -2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.623 7.492 -2.624 1.00 0.00 H new ATOM 394 N THR A 29 10.806 2.574 -6.823 1.00 0.00 N ATOM 395 CA THR A 29 10.223 1.274 -6.448 1.00 0.00 C ATOM 396 C THR A 29 9.530 0.663 -7.686 1.00 0.00 C ATOM 397 O THR A 29 9.009 1.401 -8.538 1.00 0.00 O ATOM 398 CB THR A 29 9.193 1.460 -5.272 1.00 0.00 C ATOM 399 OG1 THR A 29 9.836 2.131 -4.176 1.00 0.00 O ATOM 400 CG2 THR A 29 8.590 0.131 -4.766 1.00 0.00 C ATOM 0 H THR A 29 10.188 3.137 -7.408 1.00 0.00 H new ATOM 0 HA THR A 29 11.009 0.601 -6.105 1.00 0.00 H new ATOM 0 HB THR A 29 8.369 2.053 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.457 3.029 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.889 0.334 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.066 -0.365 -5.583 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.388 -0.515 -4.401 1.00 0.00 H new ATOM 408 N PHE A 30 9.489 -0.677 -7.756 1.00 0.00 N ATOM 409 CA PHE A 30 8.910 -1.420 -8.886 1.00 0.00 C ATOM 410 C PHE A 30 7.531 -1.948 -8.471 1.00 0.00 C ATOM 411 O PHE A 30 7.387 -2.618 -7.440 1.00 0.00 O ATOM 412 CB PHE A 30 9.847 -2.589 -9.302 1.00 0.00 C ATOM 413 CG PHE A 30 9.236 -3.544 -10.336 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.022 -3.134 -11.652 1.00 0.00 C ATOM 415 CD2 PHE A 30 8.860 -4.850 -9.989 1.00 0.00 C ATOM 416 CE1 PHE A 30 8.454 -3.987 -12.578 1.00 0.00 C ATOM 417 CE2 PHE A 30 8.296 -5.700 -10.922 1.00 0.00 C ATOM 418 CZ PHE A 30 8.094 -5.269 -12.216 1.00 0.00 C ATOM 0 H PHE A 30 9.861 -1.281 -7.023 1.00 0.00 H new ATOM 0 HA PHE A 30 8.802 -0.760 -9.747 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.770 -2.174 -9.707 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.117 -3.158 -8.412 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.304 -2.135 -11.951 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.013 -5.197 -8.978 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.291 -3.649 -13.591 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.013 -6.703 -10.637 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.655 -5.934 -12.945 1.00 0.00 H new ATOM 428 N ARG A 31 6.532 -1.637 -9.311 1.00 0.00 N ATOM 429 CA ARG A 31 5.114 -1.913 -9.046 1.00 0.00 C ATOM 430 C ARG A 31 4.289 -1.640 -10.316 1.00 0.00 C ATOM 431 O ARG A 31 3.310 -2.338 -10.594 1.00 0.00 O ATOM 432 CB ARG A 31 4.625 -1.036 -7.858 1.00 0.00 C ATOM 433 CG ARG A 31 3.126 -1.166 -7.505 1.00 0.00 C ATOM 434 CD ARG A 31 2.765 -0.408 -6.220 1.00 0.00 C ATOM 435 NE ARG A 31 3.462 -0.969 -5.048 1.00 0.00 N ATOM 436 CZ ARG A 31 4.215 -0.280 -4.171 1.00 0.00 C ATOM 437 NH1 ARG A 31 4.449 1.008 -4.338 1.00 0.00 N ATOM 438 NH2 ARG A 31 4.750 -0.896 -3.138 1.00 0.00 N ATOM 0 H ARG A 31 6.691 -1.179 -10.208 1.00 0.00 H new ATOM 0 HA ARG A 31 4.984 -2.960 -8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.211 -1.292 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.836 0.008 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.526 -0.784 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.872 -2.219 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.027 0.644 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.688 -0.453 -6.060 1.00 0.00 H new ATOM 0 HE ARG A 31 3.364 -1.972 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.057 1.498 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.022 1.514 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.594 -1.895 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.321 -0.374 -2.473 1.00 0.00 H new ATOM 452 N SER A 32 4.702 -0.611 -11.082 1.00 0.00 N ATOM 453 CA SER A 32 4.050 -0.234 -12.343 1.00 0.00 C ATOM 454 C SER A 32 4.336 -1.289 -13.438 1.00 0.00 C ATOM 455 O SER A 32 5.460 -1.382 -13.956 1.00 0.00 O ATOM 456 CB SER A 32 4.524 1.177 -12.768 1.00 0.00 C ATOM 457 OG SER A 32 5.943 1.272 -12.785 1.00 0.00 O ATOM 0 H SER A 32 5.498 -0.020 -10.840 1.00 0.00 H new ATOM 0 HA SER A 32 2.970 -0.203 -12.200 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.132 1.410 -13.758 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.118 1.920 -12.081 1.00 0.00 H new ATOM 0 HG SER A 32 6.322 0.446 -13.152 1.00 0.00 H new ATOM 463 N ASN A 33 3.322 -2.130 -13.719 1.00 0.00 N ATOM 464 CA ASN A 33 3.364 -3.133 -14.808 1.00 0.00 C ATOM 465 C ASN A 33 3.083 -2.442 -16.149 1.00 0.00 C ATOM 466 O ASN A 33 3.642 -2.803 -17.184 1.00 0.00 O ATOM 467 CB ASN A 33 2.312 -4.256 -14.553 1.00 0.00 C ATOM 468 CG ASN A 33 2.583 -5.155 -13.327 1.00 0.00 C ATOM 469 OD1 ASN A 33 2.194 -6.323 -13.316 1.00 0.00 O ATOM 470 ND2 ASN A 33 3.224 -4.640 -12.279 1.00 0.00 N ATOM 0 H ASN A 33 2.446 -2.135 -13.197 1.00 0.00 H new ATOM 0 HA ASN A 33 4.354 -3.588 -14.836 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.333 -3.792 -14.432 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.258 -4.887 -15.440 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.398 -5.215 -11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.541 -3.671 -12.301 1.00 0.00 H new ATOM 477 N ALA A 34 2.211 -1.430 -16.092 1.00 0.00 N ATOM 478 CA ALA A 34 1.827 -0.591 -17.233 1.00 0.00 C ATOM 479 C ALA A 34 1.812 0.877 -16.789 1.00 0.00 C ATOM 480 O ALA A 34 1.572 1.174 -15.617 1.00 0.00 O ATOM 481 CB ALA A 34 0.453 -1.014 -17.773 1.00 0.00 C ATOM 0 H ALA A 34 1.740 -1.164 -15.227 1.00 0.00 H new ATOM 0 HA ALA A 34 2.551 -0.715 -18.039 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.184 -0.381 -18.619 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.494 -2.054 -18.096 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.295 -0.907 -16.988 1.00 0.00 H new ATOM 487 N MET A 35 2.100 1.771 -17.738 1.00 0.00 N ATOM 488 CA MET A 35 2.180 3.240 -17.554 1.00 0.00 C ATOM 489 C MET A 35 1.799 3.919 -18.875 1.00 0.00 C ATOM 490 O MET A 35 1.664 3.248 -19.914 1.00 0.00 O ATOM 491 CB MET A 35 3.611 3.708 -17.111 1.00 0.00 C ATOM 492 CG MET A 35 4.023 3.298 -15.689 1.00 0.00 C ATOM 493 SD MET A 35 5.742 3.687 -15.293 1.00 0.00 S ATOM 494 CE MET A 35 6.608 2.806 -16.589 1.00 0.00 C ATOM 0 H MET A 35 2.293 1.489 -18.699 1.00 0.00 H new ATOM 0 HA MET A 35 1.491 3.523 -16.758 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.341 3.306 -17.814 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.660 4.794 -17.187 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.372 3.799 -14.973 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.865 2.226 -15.569 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.625 2.586 -16.263 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.087 1.873 -16.806 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.640 3.421 -17.488 1.00 0.00 H new ATOM 504 N GLY A 36 1.588 5.235 -18.817 1.00 0.00 N ATOM 505 CA GLY A 36 1.374 6.050 -20.010 1.00 0.00 C ATOM 506 C GLY A 36 1.671 7.514 -19.752 1.00 0.00 C ATOM 507 O GLY A 36 2.035 7.892 -18.636 1.00 0.00 O ATOM 0 H GLY A 36 1.561 5.763 -17.944 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.010 5.687 -20.817 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.342 5.942 -20.344 1.00 0.00 H new ATOM 511 N TRP A 37 1.563 8.330 -20.803 1.00 0.00 N ATOM 512 CA TRP A 37 1.568 9.793 -20.706 1.00 0.00 C ATOM 513 C TRP A 37 0.271 10.308 -21.325 1.00 0.00 C ATOM 514 O TRP A 37 -0.170 9.824 -22.373 1.00 0.00 O ATOM 515 CB TRP A 37 2.789 10.432 -21.431 1.00 0.00 C ATOM 516 CG TRP A 37 4.123 10.200 -20.750 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.048 9.246 -21.049 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.679 10.957 -19.656 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.133 9.350 -20.218 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.932 10.390 -19.352 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.237 12.055 -18.908 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.749 10.880 -18.335 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.049 12.545 -17.899 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.293 11.956 -17.619 1.00 0.00 C ATOM 0 H TRP A 37 1.468 7.989 -21.760 1.00 0.00 H new ATOM 0 HA TRP A 37 1.645 10.073 -19.655 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.840 10.035 -22.445 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.622 11.506 -21.517 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.941 8.510 -21.832 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.957 8.749 -20.241 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.280 12.511 -19.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.706 10.429 -18.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.720 13.394 -17.318 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.902 12.359 -16.824 1.00 0.00 H new ATOM 535 N PHE A 38 -0.346 11.253 -20.632 1.00 0.00 N ATOM 536 CA PHE A 38 -1.499 12.023 -21.099 1.00 0.00 C ATOM 537 C PHE A 38 -1.139 13.513 -21.042 1.00 0.00 C ATOM 538 O PHE A 38 -0.153 13.907 -20.406 1.00 0.00 O ATOM 539 CB PHE A 38 -2.759 11.751 -20.222 1.00 0.00 C ATOM 540 CG PHE A 38 -3.321 10.331 -20.308 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.759 9.285 -19.579 1.00 0.00 C ATOM 542 CD2 PHE A 38 -4.433 10.048 -21.105 1.00 0.00 C ATOM 543 CE1 PHE A 38 -3.280 8.005 -19.655 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.952 8.771 -21.178 1.00 0.00 C ATOM 545 CZ PHE A 38 -4.377 7.750 -20.448 1.00 0.00 C ATOM 0 H PHE A 38 -0.049 11.518 -19.693 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.737 11.723 -22.119 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.510 11.963 -19.182 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.542 12.452 -20.512 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.905 9.476 -18.946 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.894 10.842 -21.674 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.825 7.204 -19.091 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.808 8.571 -21.806 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.787 6.752 -20.499 1.00 0.00 H new ATOM 555 N ARG A 39 -1.936 14.330 -21.723 1.00 0.00 N ATOM 556 CA ARG A 39 -1.845 15.796 -21.656 1.00 0.00 C ATOM 557 C ARG A 39 -3.261 16.357 -21.592 1.00 0.00 C ATOM 558 O ARG A 39 -4.190 15.747 -22.117 1.00 0.00 O ATOM 559 CB ARG A 39 -1.073 16.359 -22.873 1.00 0.00 C ATOM 560 CG ARG A 39 -1.822 16.307 -24.227 1.00 0.00 C ATOM 561 CD ARG A 39 -0.979 16.851 -25.386 1.00 0.00 C ATOM 562 NE ARG A 39 -1.799 17.205 -26.554 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.456 18.109 -27.485 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.261 18.688 -27.467 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.314 18.428 -28.432 1.00 0.00 N ATOM 0 H ARG A 39 -2.672 13.996 -22.345 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.291 16.095 -20.766 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.809 17.396 -22.664 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.139 15.807 -22.974 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.107 15.277 -24.442 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.744 16.883 -24.151 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.429 17.730 -25.051 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.240 16.104 -25.677 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.694 16.729 -26.665 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.411 18.448 -26.739 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.015 19.373 -28.182 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.234 17.989 -28.456 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.058 19.114 -29.142 1.00 0.00 H new ATOM 579 N GLN A 40 -3.427 17.512 -20.964 1.00 0.00 N ATOM 580 CA GLN A 40 -4.752 18.094 -20.728 1.00 0.00 C ATOM 581 C GLN A 40 -4.624 19.614 -20.605 1.00 0.00 C ATOM 582 O GLN A 40 -3.577 20.123 -20.216 1.00 0.00 O ATOM 583 CB GLN A 40 -5.355 17.444 -19.442 1.00 0.00 C ATOM 584 CG GLN A 40 -6.831 17.769 -19.163 1.00 0.00 C ATOM 585 CD GLN A 40 -7.440 16.926 -18.035 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.756 16.534 -17.086 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.726 16.629 -18.137 1.00 0.00 N ATOM 0 H GLN A 40 -2.656 18.074 -20.603 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.426 17.892 -21.561 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.248 16.362 -19.519 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.763 17.762 -18.584 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.920 18.824 -18.906 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.408 17.613 -20.075 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.266 16.968 -18.933 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.177 16.062 -17.419 1.00 0.00 H new ATOM 596 N ALA A 41 -5.674 20.334 -20.989 1.00 0.00 N ATOM 597 CA ALA A 41 -5.766 21.786 -20.790 1.00 0.00 C ATOM 598 C ALA A 41 -6.757 22.054 -19.629 1.00 0.00 C ATOM 599 O ALA A 41 -7.695 21.267 -19.465 1.00 0.00 O ATOM 600 CB ALA A 41 -6.194 22.458 -22.106 1.00 0.00 C ATOM 0 H ALA A 41 -6.490 19.930 -21.449 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.801 22.214 -20.517 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.262 23.536 -21.959 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.457 22.244 -22.880 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.166 22.071 -22.413 1.00 0.00 H new ATOM 606 N PRO A 42 -6.536 23.116 -18.772 1.00 0.00 N ATOM 607 CA PRO A 42 -7.439 23.451 -17.626 1.00 0.00 C ATOM 608 C PRO A 42 -8.926 23.626 -18.043 1.00 0.00 C ATOM 609 O PRO A 42 -9.289 24.635 -18.661 1.00 0.00 O ATOM 610 CB PRO A 42 -6.837 24.779 -17.068 1.00 0.00 C ATOM 611 CG PRO A 42 -5.396 24.738 -17.482 1.00 0.00 C ATOM 612 CD PRO A 42 -5.376 24.053 -18.830 1.00 0.00 C ATOM 0 HA PRO A 42 -7.474 22.647 -16.891 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.345 25.650 -17.482 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.938 24.836 -15.984 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.979 25.743 -17.547 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.796 24.190 -16.756 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.481 24.770 -19.644 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.439 23.520 -18.994 1.00 0.00 H new ATOM 620 N GLY A 43 -9.766 22.613 -17.731 1.00 0.00 N ATOM 621 CA GLY A 43 -11.209 22.644 -18.040 1.00 0.00 C ATOM 622 C GLY A 43 -11.594 21.758 -19.224 1.00 0.00 C ATOM 623 O GLY A 43 -12.781 21.498 -19.452 1.00 0.00 O ATOM 0 H GLY A 43 -9.464 21.759 -17.262 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.769 22.326 -17.160 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.506 23.671 -18.252 1.00 0.00 H new ATOM 627 N LYS A 44 -10.585 21.292 -19.975 1.00 0.00 N ATOM 628 CA LYS A 44 -10.767 20.423 -21.156 1.00 0.00 C ATOM 629 C LYS A 44 -10.548 18.944 -20.789 1.00 0.00 C ATOM 630 O LYS A 44 -10.175 18.618 -19.658 1.00 0.00 O ATOM 631 CB LYS A 44 -9.791 20.861 -22.286 1.00 0.00 C ATOM 632 CG LYS A 44 -9.923 22.344 -22.769 1.00 0.00 C ATOM 633 CD LYS A 44 -11.069 22.613 -23.793 1.00 0.00 C ATOM 634 CE LYS A 44 -12.492 22.539 -23.211 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.521 22.870 -24.226 1.00 0.00 N ATOM 0 H LYS A 44 -9.607 21.508 -19.780 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.791 20.528 -21.513 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.770 20.702 -21.939 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.942 20.205 -23.144 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.080 22.980 -21.898 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.978 22.648 -23.219 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.922 23.601 -24.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.987 21.891 -24.605 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.674 21.537 -22.823 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.577 23.227 -22.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.466 22.809 -23.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.363 23.836 -24.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.457 22.198 -25.017 1.00 0.00 H new ATOM 649 N GLU A 45 -10.822 18.053 -21.761 1.00 0.00 N ATOM 650 CA GLU A 45 -10.589 16.598 -21.636 1.00 0.00 C ATOM 651 C GLU A 45 -9.094 16.273 -21.834 1.00 0.00 C ATOM 652 O GLU A 45 -8.311 17.150 -22.220 1.00 0.00 O ATOM 653 CB GLU A 45 -11.473 15.842 -22.666 1.00 0.00 C ATOM 654 CG GLU A 45 -12.992 16.073 -22.500 1.00 0.00 C ATOM 655 CD GLU A 45 -13.521 15.636 -21.122 1.00 0.00 C ATOM 656 OE1 GLU A 45 -13.731 16.494 -20.237 1.00 0.00 O ATOM 657 OE2 GLU A 45 -13.689 14.416 -20.906 1.00 0.00 O ATOM 0 H GLU A 45 -11.214 18.323 -22.663 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.866 16.270 -20.634 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.180 16.147 -23.670 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.270 14.774 -22.585 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.211 17.130 -22.648 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.524 15.525 -23.278 1.00 0.00 H new ATOM 664 N ARG A 46 -8.694 15.016 -21.546 1.00 0.00 N ATOM 665 CA ARG A 46 -7.287 14.582 -21.672 1.00 0.00 C ATOM 666 C ARG A 46 -7.075 13.795 -22.981 1.00 0.00 C ATOM 667 O ARG A 46 -7.996 13.145 -23.495 1.00 0.00 O ATOM 668 CB ARG A 46 -6.796 13.752 -20.434 1.00 0.00 C ATOM 669 CG ARG A 46 -7.256 12.263 -20.330 1.00 0.00 C ATOM 670 CD ARG A 46 -8.568 12.033 -19.538 1.00 0.00 C ATOM 671 NE ARG A 46 -9.769 12.579 -20.192 1.00 0.00 N ATOM 672 CZ ARG A 46 -10.458 11.985 -21.186 1.00 0.00 C ATOM 673 NH1 ARG A 46 -9.990 10.898 -21.801 1.00 0.00 N ATOM 674 NH2 ARG A 46 -11.602 12.505 -21.588 1.00 0.00 N ATOM 0 H ARG A 46 -9.327 14.284 -21.224 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.679 15.486 -21.703 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.706 13.767 -20.431 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.125 14.268 -19.532 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.384 11.868 -21.338 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.460 11.685 -19.860 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.705 10.962 -19.386 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.468 12.485 -18.551 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.108 13.484 -19.865 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.094 10.500 -21.521 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.529 10.465 -22.551 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.960 13.352 -21.147 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.128 12.060 -22.340 1.00 0.00 H new ATOM 688 N GLU A 47 -5.837 13.870 -23.487 1.00 0.00 N ATOM 689 CA GLU A 47 -5.385 13.250 -24.737 1.00 0.00 C ATOM 690 C GLU A 47 -4.319 12.193 -24.414 1.00 0.00 C ATOM 691 O GLU A 47 -3.453 12.426 -23.566 1.00 0.00 O ATOM 692 CB GLU A 47 -4.785 14.341 -25.669 1.00 0.00 C ATOM 693 CG GLU A 47 -4.181 13.839 -27.003 1.00 0.00 C ATOM 694 CD GLU A 47 -5.209 13.150 -27.911 1.00 0.00 C ATOM 695 OE1 GLU A 47 -5.918 13.857 -28.656 1.00 0.00 O ATOM 696 OE2 GLU A 47 -5.327 11.905 -27.880 1.00 0.00 O ATOM 0 H GLU A 47 -5.093 14.386 -23.016 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.226 12.775 -25.242 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.567 15.065 -25.897 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.008 14.873 -25.119 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.743 14.683 -27.536 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.371 13.142 -26.788 1.00 0.00 H new ATOM 703 N PHE A 48 -4.387 11.053 -25.113 1.00 0.00 N ATOM 704 CA PHE A 48 -3.451 9.932 -24.953 1.00 0.00 C ATOM 705 C PHE A 48 -2.185 10.205 -25.794 1.00 0.00 C ATOM 706 O PHE A 48 -2.239 10.194 -27.030 1.00 0.00 O ATOM 707 CB PHE A 48 -4.151 8.614 -25.391 1.00 0.00 C ATOM 708 CG PHE A 48 -3.375 7.334 -25.070 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.643 6.658 -26.046 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.385 6.804 -23.781 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.955 5.500 -25.738 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.697 5.647 -23.478 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.981 4.999 -24.456 1.00 0.00 C ATOM 0 H PHE A 48 -5.105 10.880 -25.817 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.153 9.829 -23.910 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.127 8.560 -24.908 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.329 8.654 -26.466 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.614 7.044 -27.054 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.942 7.308 -23.005 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.395 4.986 -26.505 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.721 5.251 -22.473 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.438 4.096 -24.219 1.00 0.00 H new ATOM 723 N VAL A 49 -1.065 10.479 -25.104 1.00 0.00 N ATOM 724 CA VAL A 49 0.232 10.797 -25.739 1.00 0.00 C ATOM 725 C VAL A 49 1.045 9.509 -25.967 1.00 0.00 C ATOM 726 O VAL A 49 1.483 9.226 -27.090 1.00 0.00 O ATOM 727 CB VAL A 49 1.071 11.808 -24.852 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.453 12.156 -25.489 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.252 13.088 -24.545 1.00 0.00 C ATOM 0 H VAL A 49 -1.030 10.487 -24.085 1.00 0.00 H new ATOM 0 HA VAL A 49 0.026 11.269 -26.700 1.00 0.00 H new ATOM 0 HB VAL A 49 1.282 11.304 -23.909 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.987 12.852 -24.842 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.040 11.245 -25.605 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.298 12.615 -26.465 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.850 13.765 -23.935 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.016 13.582 -25.479 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.655 12.818 -24.004 1.00 0.00 H new ATOM 739 N ALA A 50 1.211 8.717 -24.889 1.00 0.00 N ATOM 740 CA ALA A 50 2.151 7.583 -24.866 1.00 0.00 C ATOM 741 C ALA A 50 1.663 6.445 -23.954 1.00 0.00 C ATOM 742 O ALA A 50 0.702 6.606 -23.197 1.00 0.00 O ATOM 743 CB ALA A 50 3.541 8.076 -24.425 1.00 0.00 C ATOM 0 H ALA A 50 0.700 8.846 -24.016 1.00 0.00 H new ATOM 0 HA ALA A 50 2.212 7.174 -25.875 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.236 7.237 -24.408 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.899 8.830 -25.126 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.473 8.511 -23.428 1.00 0.00 H new ATOM 749 N ALA A 51 2.362 5.293 -24.051 1.00 0.00 N ATOM 750 CA ALA A 51 2.131 4.102 -23.217 1.00 0.00 C ATOM 751 C ALA A 51 3.455 3.345 -23.025 1.00 0.00 C ATOM 752 O ALA A 51 4.069 2.893 -24.005 1.00 0.00 O ATOM 753 CB ALA A 51 1.075 3.184 -23.859 1.00 0.00 C ATOM 0 H ALA A 51 3.116 5.167 -24.726 1.00 0.00 H new ATOM 0 HA ALA A 51 1.755 4.419 -22.244 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.920 2.310 -23.226 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.136 3.727 -23.964 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.421 2.864 -24.842 1.00 0.00 H new ATOM 759 N ILE A 52 3.893 3.218 -21.755 1.00 0.00 N ATOM 760 CA ILE A 52 5.126 2.509 -21.382 1.00 0.00 C ATOM 761 C ILE A 52 4.783 1.364 -20.426 1.00 0.00 C ATOM 762 O ILE A 52 4.322 1.593 -19.324 1.00 0.00 O ATOM 763 CB ILE A 52 6.222 3.417 -20.681 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.502 4.752 -21.454 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.529 2.604 -20.510 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.461 5.846 -21.268 1.00 0.00 C ATOM 0 H ILE A 52 3.394 3.609 -20.956 1.00 0.00 H new ATOM 0 HA ILE A 52 5.555 2.156 -22.320 1.00 0.00 H new ATOM 0 HB ILE A 52 5.830 3.708 -19.706 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.471 5.139 -21.138 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.581 4.526 -22.517 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.284 3.226 -20.029 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.334 1.727 -19.893 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.891 2.286 -21.488 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.750 6.725 -21.844 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.491 5.488 -21.614 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.395 6.110 -20.212 1.00 0.00 H new ATOM 778 N ARG A 53 5.033 0.134 -20.846 1.00 0.00 N ATOM 779 CA ARG A 53 4.857 -1.056 -20.005 1.00 0.00 C ATOM 780 C ARG A 53 6.214 -1.416 -19.375 1.00 0.00 C ATOM 781 O ARG A 53 7.226 -0.729 -19.601 1.00 0.00 O ATOM 782 CB ARG A 53 4.287 -2.252 -20.842 1.00 0.00 C ATOM 783 CG ARG A 53 2.831 -2.091 -21.371 1.00 0.00 C ATOM 784 CD ARG A 53 2.671 -0.971 -22.419 1.00 0.00 C ATOM 785 NE ARG A 53 1.307 -0.867 -22.949 1.00 0.00 N ATOM 786 CZ ARG A 53 0.309 -0.139 -22.425 1.00 0.00 C ATOM 787 NH1 ARG A 53 0.460 0.527 -21.278 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.842 -0.072 -23.063 1.00 0.00 N ATOM 0 H ARG A 53 5.367 -0.076 -21.787 1.00 0.00 H new ATOM 0 HA ARG A 53 4.135 -0.845 -19.216 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.945 -2.417 -21.695 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.330 -3.151 -20.228 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.507 -3.035 -21.809 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.169 -1.886 -20.530 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.953 -0.019 -21.970 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.361 -1.152 -23.243 1.00 0.00 H new ATOM 0 HE ARG A 53 1.098 -1.398 -23.795 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.349 0.489 -20.780 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.314 1.074 -20.900 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.966 -0.570 -23.944 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.609 0.478 -22.675 1.00 0.00 H new ATOM 851 N SER A 58 5.673 -0.740 -24.466 1.00 0.00 N ATOM 852 CA SER A 58 6.606 0.275 -23.924 1.00 0.00 C ATOM 853 C SER A 58 6.934 1.408 -24.920 1.00 0.00 C ATOM 854 O SER A 58 7.911 2.146 -24.738 1.00 0.00 O ATOM 855 CB SER A 58 7.882 -0.412 -23.384 1.00 0.00 C ATOM 856 OG SER A 58 7.540 -1.397 -22.418 1.00 0.00 O ATOM 0 HA SER A 58 6.096 0.769 -23.097 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.430 -0.873 -24.205 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.542 0.331 -22.937 1.00 0.00 H new ATOM 0 HG SER A 58 7.498 -0.984 -21.530 1.00 0.00 H new ATOM 862 N THR A 59 6.055 1.590 -25.916 1.00 0.00 N ATOM 863 CA THR A 59 6.254 2.521 -27.033 1.00 0.00 C ATOM 864 C THR A 59 4.871 2.981 -27.506 1.00 0.00 C ATOM 865 O THR A 59 4.002 2.134 -27.760 1.00 0.00 O ATOM 866 CB THR A 59 7.039 1.865 -28.241 1.00 0.00 C ATOM 867 OG1 THR A 59 6.466 0.585 -28.560 1.00 0.00 O ATOM 868 CG2 THR A 59 8.553 1.699 -27.968 1.00 0.00 C ATOM 0 H THR A 59 5.170 1.085 -25.968 1.00 0.00 H new ATOM 0 HA THR A 59 6.860 3.358 -26.686 1.00 0.00 H new ATOM 0 HB THR A 59 6.940 2.549 -29.084 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.493 0.626 -28.452 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.031 1.244 -28.835 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.998 2.676 -27.779 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.698 1.060 -27.097 1.00 0.00 H new ATOM 876 N TYR A 60 4.657 4.303 -27.566 1.00 0.00 N ATOM 877 CA TYR A 60 3.453 4.887 -28.151 1.00 0.00 C ATOM 878 C TYR A 60 3.666 6.388 -28.368 1.00 0.00 C ATOM 879 O TYR A 60 4.139 7.092 -27.473 1.00 0.00 O ATOM 880 CB TYR A 60 2.192 4.638 -27.273 1.00 0.00 C ATOM 881 CG TYR A 60 0.876 4.717 -28.058 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.339 5.944 -28.465 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.198 3.555 -28.426 1.00 0.00 C ATOM 884 CE1 TYR A 60 -0.820 6.007 -29.206 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.968 3.617 -29.160 1.00 0.00 C ATOM 886 CZ TYR A 60 -1.470 4.841 -29.553 1.00 0.00 C ATOM 887 OH TYR A 60 -2.621 4.899 -30.305 1.00 0.00 O ATOM 0 H TYR A 60 5.317 4.993 -27.209 1.00 0.00 H new ATOM 0 HA TYR A 60 3.275 4.398 -29.109 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.271 3.655 -26.808 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.170 5.371 -26.467 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.844 6.859 -28.193 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.592 2.593 -28.132 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.217 6.963 -29.513 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.488 2.709 -29.427 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.954 3.991 -30.464 1.00 0.00 H new ATOM 897 N TYR A 61 3.352 6.831 -29.588 1.00 0.00 N ATOM 898 CA TYR A 61 3.287 8.245 -29.997 1.00 0.00 C ATOM 899 C TYR A 61 2.510 8.325 -31.320 1.00 0.00 C ATOM 900 O TYR A 61 2.513 7.365 -32.102 1.00 0.00 O ATOM 901 CB TYR A 61 4.710 8.907 -30.113 1.00 0.00 C ATOM 902 CG TYR A 61 5.845 7.955 -30.548 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.997 7.536 -31.871 1.00 0.00 C ATOM 904 CD2 TYR A 61 6.760 7.462 -29.609 1.00 0.00 C ATOM 905 CE1 TYR A 61 7.012 6.670 -32.233 1.00 0.00 C ATOM 906 CE2 TYR A 61 7.773 6.602 -29.970 1.00 0.00 C ATOM 907 CZ TYR A 61 7.896 6.206 -31.279 1.00 0.00 C ATOM 908 OH TYR A 61 8.909 5.341 -31.640 1.00 0.00 O ATOM 0 H TYR A 61 3.126 6.193 -30.351 1.00 0.00 H new ATOM 0 HA TYR A 61 2.768 8.816 -29.227 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.654 9.729 -30.827 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.971 9.340 -29.148 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.311 7.894 -32.624 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.669 7.764 -28.576 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.114 6.356 -33.261 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.468 6.240 -29.227 1.00 0.00 H new ATOM 0 HH TYR A 61 9.441 5.113 -30.850 1.00 0.00 H new ATOM 918 N ALA A 62 1.829 9.462 -31.548 1.00 0.00 N ATOM 919 CA ALA A 62 1.038 9.702 -32.772 1.00 0.00 C ATOM 920 C ALA A 62 1.960 9.815 -34.005 1.00 0.00 C ATOM 921 O ALA A 62 3.129 10.178 -33.871 1.00 0.00 O ATOM 922 CB ALA A 62 0.180 10.971 -32.601 1.00 0.00 C ATOM 0 H ALA A 62 1.810 10.241 -30.890 1.00 0.00 H new ATOM 0 HA ALA A 62 0.373 8.854 -32.935 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.401 11.142 -33.507 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.496 10.842 -31.756 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.829 11.827 -32.419 1.00 0.00 H new ATOM 928 N ASP A 63 1.414 9.519 -35.197 1.00 0.00 N ATOM 929 CA ASP A 63 2.183 9.515 -36.466 1.00 0.00 C ATOM 930 C ASP A 63 2.711 10.925 -36.810 1.00 0.00 C ATOM 931 O ASP A 63 3.785 11.075 -37.412 1.00 0.00 O ATOM 932 CB ASP A 63 1.295 8.984 -37.618 1.00 0.00 C ATOM 933 CG ASP A 63 2.063 8.812 -38.943 1.00 0.00 C ATOM 934 OD1 ASP A 63 2.759 7.787 -39.105 1.00 0.00 O ATOM 935 OD2 ASP A 63 1.989 9.701 -39.820 1.00 0.00 O ATOM 0 H ASP A 63 0.430 9.276 -35.314 1.00 0.00 H new ATOM 0 HA ASP A 63 3.043 8.858 -36.338 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.867 8.025 -37.326 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.463 9.671 -37.774 1.00 0.00 H new ATOM 940 N SER A 64 1.940 11.945 -36.409 1.00 0.00 N ATOM 941 CA SER A 64 2.272 13.361 -36.639 1.00 0.00 C ATOM 942 C SER A 64 3.486 13.811 -35.791 1.00 0.00 C ATOM 943 O SER A 64 4.286 14.651 -36.226 1.00 0.00 O ATOM 944 CB SER A 64 1.040 14.231 -36.318 1.00 0.00 C ATOM 945 OG SER A 64 1.268 15.600 -36.618 1.00 0.00 O ATOM 0 H SER A 64 1.060 11.811 -35.911 1.00 0.00 H new ATOM 0 HA SER A 64 2.548 13.483 -37.686 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.183 13.872 -36.888 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.787 14.127 -35.263 1.00 0.00 H new ATOM 0 HG SER A 64 0.466 16.120 -36.403 1.00 0.00 H new ATOM 951 N VAL A 65 3.611 13.241 -34.574 1.00 0.00 N ATOM 952 CA VAL A 65 4.694 13.576 -33.614 1.00 0.00 C ATOM 953 C VAL A 65 5.799 12.491 -33.595 1.00 0.00 C ATOM 954 O VAL A 65 6.790 12.630 -32.874 1.00 0.00 O ATOM 955 CB VAL A 65 4.118 13.793 -32.163 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.072 14.938 -32.139 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.540 12.486 -31.556 1.00 0.00 C ATOM 0 H VAL A 65 2.964 12.534 -34.225 1.00 0.00 H new ATOM 0 HA VAL A 65 5.145 14.509 -33.953 1.00 0.00 H new ATOM 0 HB VAL A 65 4.955 14.089 -31.531 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.693 15.063 -31.125 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.540 15.865 -32.469 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.247 14.691 -32.807 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.156 12.688 -30.556 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.732 12.118 -32.188 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.326 11.733 -31.497 1.00 0.00 H new ATOM 967 N LYS A 66 5.603 11.440 -34.414 1.00 0.00 N ATOM 968 CA LYS A 66 6.479 10.248 -34.493 1.00 0.00 C ATOM 969 C LYS A 66 7.937 10.615 -34.825 1.00 0.00 C ATOM 970 O LYS A 66 8.190 11.444 -35.703 1.00 0.00 O ATOM 971 CB LYS A 66 5.914 9.301 -35.583 1.00 0.00 C ATOM 972 CG LYS A 66 6.739 8.022 -35.880 1.00 0.00 C ATOM 973 CD LYS A 66 6.189 7.227 -37.091 1.00 0.00 C ATOM 974 CE LYS A 66 6.191 8.057 -38.396 1.00 0.00 C ATOM 975 NZ LYS A 66 5.644 7.307 -39.548 1.00 0.00 N ATOM 0 H LYS A 66 4.812 11.392 -35.056 1.00 0.00 H new ATOM 0 HA LYS A 66 6.489 9.761 -33.518 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.910 8.999 -35.286 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.815 9.867 -36.509 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.776 8.299 -36.072 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.739 7.381 -34.999 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.790 6.329 -37.235 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.172 6.899 -36.875 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.605 8.964 -38.246 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.210 8.370 -38.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.020 7.706 -40.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.920 6.307 -39.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.607 7.380 -39.549 1.00 0.00 H new ATOM 989 N GLY A 67 8.879 9.998 -34.088 1.00 0.00 N ATOM 990 CA GLY A 67 10.321 10.191 -34.293 1.00 0.00 C ATOM 991 C GLY A 67 10.898 11.365 -33.509 1.00 0.00 C ATOM 992 O GLY A 67 12.073 11.343 -33.133 1.00 0.00 O ATOM 0 H GLY A 67 8.658 9.350 -33.332 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.845 9.280 -34.005 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.511 10.346 -35.355 1.00 0.00 H new ATOM 996 N ARG A 68 10.064 12.383 -33.262 1.00 0.00 N ATOM 997 CA ARG A 68 10.428 13.566 -32.465 1.00 0.00 C ATOM 998 C ARG A 68 10.102 13.300 -30.992 1.00 0.00 C ATOM 999 O ARG A 68 10.927 13.493 -30.094 1.00 0.00 O ATOM 1000 CB ARG A 68 9.647 14.801 -32.977 1.00 0.00 C ATOM 1001 CG ARG A 68 9.877 15.131 -34.466 1.00 0.00 C ATOM 1002 CD ARG A 68 9.093 16.368 -34.923 1.00 0.00 C ATOM 1003 NE ARG A 68 7.632 16.181 -34.835 1.00 0.00 N ATOM 1004 CZ ARG A 68 6.722 17.168 -34.745 1.00 0.00 C ATOM 1005 NH1 ARG A 68 7.088 18.442 -34.665 1.00 0.00 N ATOM 1006 NH2 ARG A 68 5.439 16.866 -34.745 1.00 0.00 N ATOM 0 H ARG A 68 9.107 12.411 -33.613 1.00 0.00 H new ATOM 0 HA ARG A 68 11.495 13.765 -32.564 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.582 14.634 -32.815 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.929 15.667 -32.378 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.941 15.295 -34.638 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.584 14.275 -35.074 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.383 17.223 -34.312 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.364 16.605 -35.952 1.00 0.00 H new ATOM 0 HE ARG A 68 7.282 15.223 -34.843 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.077 18.690 -34.671 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.380 19.173 -34.598 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.144 15.892 -34.813 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.741 17.606 -34.677 1.00 0.00 H new ATOM 1020 N PHE A 69 8.852 12.875 -30.774 1.00 0.00 N ATOM 1021 CA PHE A 69 8.340 12.466 -29.465 1.00 0.00 C ATOM 1022 C PHE A 69 8.673 10.978 -29.278 1.00 0.00 C ATOM 1023 O PHE A 69 8.329 10.147 -30.123 1.00 0.00 O ATOM 1024 CB PHE A 69 6.806 12.713 -29.371 1.00 0.00 C ATOM 1025 CG PHE A 69 6.353 14.192 -29.368 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.292 14.611 -28.553 1.00 0.00 C ATOM 1027 CD2 PHE A 69 6.958 15.156 -30.186 1.00 0.00 C ATOM 1028 CE1 PHE A 69 4.862 15.930 -28.559 1.00 0.00 C ATOM 1029 CE2 PHE A 69 6.528 16.473 -30.186 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.482 16.859 -29.373 1.00 0.00 C ATOM 0 H PHE A 69 8.157 12.805 -31.517 1.00 0.00 H new ATOM 0 HA PHE A 69 8.805 13.055 -28.674 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.325 12.209 -30.209 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.438 12.240 -28.461 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.801 13.895 -27.910 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.776 14.866 -30.829 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.041 16.232 -27.926 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.012 17.198 -30.823 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.148 17.886 -29.373 1.00 0.00 H new ATOM 1040 N THR A 70 9.399 10.676 -28.199 1.00 0.00 N ATOM 1041 CA THR A 70 9.876 9.333 -27.855 1.00 0.00 C ATOM 1042 C THR A 70 9.877 9.206 -26.321 1.00 0.00 C ATOM 1043 O THR A 70 10.042 10.205 -25.612 1.00 0.00 O ATOM 1044 CB THR A 70 11.318 9.075 -28.441 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.327 9.324 -29.861 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.815 7.635 -28.188 1.00 0.00 C ATOM 0 H THR A 70 9.680 11.382 -27.518 1.00 0.00 H new ATOM 0 HA THR A 70 9.217 8.583 -28.292 1.00 0.00 H new ATOM 0 HB THR A 70 11.991 9.760 -27.925 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.226 9.163 -30.216 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.812 7.514 -28.612 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.852 7.446 -27.115 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.132 6.927 -28.658 1.00 0.00 H new ATOM 1054 N ILE A 71 9.680 7.981 -25.818 1.00 0.00 N ATOM 1055 CA ILE A 71 9.588 7.688 -24.377 1.00 0.00 C ATOM 1056 C ILE A 71 10.663 6.680 -23.967 1.00 0.00 C ATOM 1057 O ILE A 71 11.155 5.902 -24.796 1.00 0.00 O ATOM 1058 CB ILE A 71 8.167 7.151 -23.941 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.712 5.878 -24.747 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.112 8.271 -24.021 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.234 6.121 -26.170 1.00 0.00 C ATOM 0 H ILE A 71 9.578 7.153 -26.405 1.00 0.00 H new ATOM 0 HA ILE A 71 9.747 8.636 -23.863 1.00 0.00 H new ATOM 0 HB ILE A 71 8.259 6.832 -22.903 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.546 5.177 -24.781 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.909 5.391 -24.194 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.142 7.879 -23.717 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.398 9.088 -23.358 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.049 8.639 -25.045 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.947 5.173 -26.624 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.374 6.791 -26.156 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.037 6.574 -26.751 1.00 0.00 H new ATOM 1073 N SER A 72 11.030 6.718 -22.677 1.00 0.00 N ATOM 1074 CA SER A 72 12.056 5.844 -22.103 1.00 0.00 C ATOM 1075 C SER A 72 11.705 5.511 -20.642 1.00 0.00 C ATOM 1076 O SER A 72 11.338 6.398 -19.879 1.00 0.00 O ATOM 1077 CB SER A 72 13.431 6.554 -22.177 1.00 0.00 C ATOM 1078 OG SER A 72 13.789 6.874 -23.519 1.00 0.00 O ATOM 0 H SER A 72 10.618 7.362 -22.001 1.00 0.00 H new ATOM 0 HA SER A 72 12.101 4.913 -22.669 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.402 7.466 -21.581 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.196 5.912 -21.740 1.00 0.00 H new ATOM 0 HG SER A 72 14.661 7.322 -23.527 1.00 0.00 H new ATOM 1084 N ARG A 73 11.812 4.234 -20.262 1.00 0.00 N ATOM 1085 CA ARG A 73 11.678 3.786 -18.861 1.00 0.00 C ATOM 1086 C ARG A 73 13.039 3.284 -18.377 1.00 0.00 C ATOM 1087 O ARG A 73 13.690 2.499 -19.066 1.00 0.00 O ATOM 1088 CB ARG A 73 10.626 2.650 -18.737 1.00 0.00 C ATOM 1089 CG ARG A 73 10.524 1.985 -17.336 1.00 0.00 C ATOM 1090 CD ARG A 73 9.564 0.778 -17.310 1.00 0.00 C ATOM 1091 NE ARG A 73 9.556 0.101 -15.993 1.00 0.00 N ATOM 1092 CZ ARG A 73 8.474 -0.438 -15.404 1.00 0.00 C ATOM 1093 NH1 ARG A 73 7.286 -0.409 -16.002 1.00 0.00 N ATOM 1094 NH2 ARG A 73 8.591 -1.032 -14.226 1.00 0.00 N ATOM 0 H ARG A 73 11.995 3.473 -20.917 1.00 0.00 H new ATOM 0 HA ARG A 73 11.342 4.623 -18.250 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.648 3.053 -19.001 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.861 1.879 -19.470 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.516 1.660 -17.021 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.186 2.726 -16.612 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.555 1.113 -17.551 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.857 0.066 -18.081 1.00 0.00 H new ATOM 0 HE ARG A 73 10.443 0.039 -15.492 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.187 0.026 -16.919 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.474 -0.822 -15.543 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.501 -1.080 -13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.771 -1.441 -13.778 1.00 0.00 H new ATOM 1108 N ASP A 74 13.469 3.752 -17.211 1.00 0.00 N ATOM 1109 CA ASP A 74 14.662 3.237 -16.524 1.00 0.00 C ATOM 1110 C ASP A 74 14.200 2.622 -15.202 1.00 0.00 C ATOM 1111 O ASP A 74 13.685 3.339 -14.359 1.00 0.00 O ATOM 1112 CB ASP A 74 15.678 4.388 -16.282 1.00 0.00 C ATOM 1113 CG ASP A 74 17.018 3.881 -15.731 1.00 0.00 C ATOM 1114 OD1 ASP A 74 18.022 3.847 -16.471 1.00 0.00 O ATOM 1115 OD2 ASP A 74 17.076 3.510 -14.551 1.00 0.00 O ATOM 0 H ASP A 74 13.001 4.505 -16.707 1.00 0.00 H new ATOM 0 HA ASP A 74 15.166 2.483 -17.129 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.851 4.919 -17.218 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.249 5.106 -15.583 1.00 0.00 H new ATOM 1120 N ASN A 75 14.374 1.306 -15.028 1.00 0.00 N ATOM 1121 CA ASN A 75 13.892 0.592 -13.822 1.00 0.00 C ATOM 1122 C ASN A 75 14.944 0.623 -12.679 1.00 0.00 C ATOM 1123 O ASN A 75 14.624 0.279 -11.536 1.00 0.00 O ATOM 1124 CB ASN A 75 13.472 -0.866 -14.190 1.00 0.00 C ATOM 1125 CG ASN A 75 12.558 -1.509 -13.134 1.00 0.00 C ATOM 1126 OD1 ASN A 75 11.331 -1.369 -13.195 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.137 -2.201 -12.160 1.00 0.00 N ATOM 0 H ASN A 75 14.845 0.706 -15.705 1.00 0.00 H new ATOM 0 HA ASN A 75 13.011 1.111 -13.445 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.959 -0.859 -15.152 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.366 -1.477 -14.310 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.567 -2.635 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.152 -2.298 -12.137 1.00 0.00 H new ATOM 1134 N ALA A 76 16.195 1.051 -12.997 1.00 0.00 N ATOM 1135 CA ALA A 76 17.300 1.140 -12.006 1.00 0.00 C ATOM 1136 C ALA A 76 17.002 2.194 -10.923 1.00 0.00 C ATOM 1137 O ALA A 76 17.292 1.975 -9.744 1.00 0.00 O ATOM 1138 CB ALA A 76 18.650 1.437 -12.688 1.00 0.00 C ATOM 0 H ALA A 76 16.463 1.341 -13.937 1.00 0.00 H new ATOM 0 HA ALA A 76 17.372 0.166 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.434 1.495 -11.933 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.884 0.640 -13.394 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.588 2.386 -13.220 1.00 0.00 H new ATOM 1144 N LYS A 77 16.446 3.357 -11.331 1.00 0.00 N ATOM 1145 CA LYS A 77 15.909 4.363 -10.373 1.00 0.00 C ATOM 1146 C LYS A 77 14.401 4.603 -10.611 1.00 0.00 C ATOM 1147 O LYS A 77 13.846 5.586 -10.103 1.00 0.00 O ATOM 1148 CB LYS A 77 16.708 5.708 -10.400 1.00 0.00 C ATOM 1149 CG LYS A 77 16.799 6.445 -11.762 1.00 0.00 C ATOM 1150 CD LYS A 77 17.959 5.942 -12.649 1.00 0.00 C ATOM 1151 CE LYS A 77 18.125 6.771 -13.934 1.00 0.00 C ATOM 1152 NZ LYS A 77 19.177 6.209 -14.819 1.00 0.00 N ATOM 0 H LYS A 77 16.355 3.626 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 77 16.037 3.947 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.254 6.386 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.722 5.507 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.859 6.320 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.924 7.513 -11.582 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.887 5.973 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.783 4.899 -12.914 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.177 6.803 -14.471 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.379 7.798 -13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.889 6.940 -15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.632 5.401 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.747 5.892 -15.711 1.00 0.00 H new ATOM 1166 N ASN A 78 13.760 3.679 -11.366 1.00 0.00 N ATOM 1167 CA ASN A 78 12.299 3.676 -11.658 1.00 0.00 C ATOM 1168 C ASN A 78 11.785 5.073 -12.032 1.00 0.00 C ATOM 1169 O ASN A 78 11.034 5.689 -11.285 1.00 0.00 O ATOM 1170 CB ASN A 78 11.490 3.062 -10.488 1.00 0.00 C ATOM 1171 CG ASN A 78 11.900 1.625 -10.171 1.00 0.00 C ATOM 1172 OD1 ASN A 78 12.776 1.396 -9.353 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.271 0.649 -10.814 1.00 0.00 N ATOM 0 H ASN A 78 14.251 2.897 -11.800 1.00 0.00 H new ATOM 0 HA ASN A 78 12.147 3.040 -12.530 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.624 3.677 -9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.429 3.085 -10.735 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.516 -0.324 -10.630 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.543 0.872 -11.492 1.00 0.00 H new ATOM 1180 N THR A 79 12.290 5.598 -13.151 1.00 0.00 N ATOM 1181 CA THR A 79 11.939 6.932 -13.646 1.00 0.00 C ATOM 1182 C THR A 79 11.577 6.854 -15.140 1.00 0.00 C ATOM 1183 O THR A 79 12.295 6.233 -15.935 1.00 0.00 O ATOM 1184 CB THR A 79 13.114 7.944 -13.405 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.496 7.920 -12.014 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.730 9.388 -13.795 1.00 0.00 C ATOM 0 H THR A 79 12.959 5.106 -13.744 1.00 0.00 H new ATOM 0 HA THR A 79 11.072 7.296 -13.094 1.00 0.00 H new ATOM 0 HB THR A 79 13.945 7.634 -14.038 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.231 8.551 -11.866 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.575 10.052 -13.610 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.466 9.421 -14.852 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.877 9.712 -13.198 1.00 0.00 H new ATOM 1194 N VAL A 80 10.451 7.486 -15.496 1.00 0.00 N ATOM 1195 CA VAL A 80 9.901 7.505 -16.858 1.00 0.00 C ATOM 1196 C VAL A 80 10.222 8.862 -17.497 1.00 0.00 C ATOM 1197 O VAL A 80 10.220 9.885 -16.811 1.00 0.00 O ATOM 1198 CB VAL A 80 8.339 7.285 -16.844 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.778 7.028 -18.273 1.00 0.00 C ATOM 1200 CG2 VAL A 80 7.956 6.147 -15.871 1.00 0.00 C ATOM 0 H VAL A 80 9.884 8.010 -14.830 1.00 0.00 H new ATOM 0 HA VAL A 80 10.351 6.695 -17.433 1.00 0.00 H new ATOM 0 HB VAL A 80 7.878 8.205 -16.485 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.699 6.881 -18.219 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.997 7.886 -18.909 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.245 6.137 -18.692 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.874 6.012 -15.877 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.439 5.222 -16.185 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.284 6.404 -14.864 1.00 0.00 H new ATOM 1210 N TYR A 81 10.505 8.853 -18.798 1.00 0.00 N ATOM 1211 CA TYR A 81 10.913 10.049 -19.550 1.00 0.00 C ATOM 1212 C TYR A 81 10.000 10.243 -20.765 1.00 0.00 C ATOM 1213 O TYR A 81 9.590 9.262 -21.399 1.00 0.00 O ATOM 1214 CB TYR A 81 12.394 9.916 -19.998 1.00 0.00 C ATOM 1215 CG TYR A 81 13.368 9.650 -18.835 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.800 10.688 -18.000 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.828 8.356 -18.552 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.653 10.445 -16.940 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.684 8.114 -17.496 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.091 9.159 -16.691 1.00 0.00 C ATOM 1221 OH TYR A 81 15.938 8.913 -15.626 1.00 0.00 O ATOM 0 H TYR A 81 10.459 8.010 -19.370 1.00 0.00 H new ATOM 0 HA TYR A 81 10.822 10.923 -18.905 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.475 9.105 -20.721 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.694 10.830 -20.510 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.461 11.696 -18.188 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.506 7.532 -19.172 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.976 11.259 -16.308 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.034 7.111 -17.301 1.00 0.00 H new ATOM 0 HH TYR A 81 15.763 9.562 -14.913 1.00 0.00 H new ATOM 1231 N LEU A 82 9.679 11.510 -21.070 1.00 0.00 N ATOM 1232 CA LEU A 82 8.934 11.897 -22.280 1.00 0.00 C ATOM 1233 C LEU A 82 9.746 12.978 -23.011 1.00 0.00 C ATOM 1234 O LEU A 82 9.688 14.157 -22.658 1.00 0.00 O ATOM 1235 CB LEU A 82 7.521 12.423 -21.884 1.00 0.00 C ATOM 1236 CG LEU A 82 6.595 12.923 -23.042 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.264 11.799 -24.047 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.308 13.586 -22.483 1.00 0.00 C ATOM 0 H LEU A 82 9.931 12.302 -20.479 1.00 0.00 H new ATOM 0 HA LEU A 82 8.793 11.041 -22.940 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.000 11.626 -21.355 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.651 13.243 -21.177 1.00 0.00 H new ATOM 0 HG LEU A 82 7.149 13.683 -23.593 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.619 12.192 -24.833 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.187 11.423 -24.489 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.752 10.988 -23.530 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.684 13.924 -23.310 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.756 12.861 -21.884 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.579 14.439 -21.861 1.00 0.00 H new ATOM 1250 N GLN A 83 10.527 12.561 -24.013 1.00 0.00 N ATOM 1251 CA GLN A 83 11.343 13.472 -24.831 1.00 0.00 C ATOM 1252 C GLN A 83 10.521 13.941 -26.034 1.00 0.00 C ATOM 1253 O GLN A 83 10.256 13.170 -26.947 1.00 0.00 O ATOM 1254 CB GLN A 83 12.658 12.781 -25.293 1.00 0.00 C ATOM 1255 CG GLN A 83 13.560 13.649 -26.207 1.00 0.00 C ATOM 1256 CD GLN A 83 13.995 14.978 -25.568 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.030 15.053 -24.909 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.223 16.043 -25.785 1.00 0.00 N ATOM 0 H GLN A 83 10.613 11.581 -24.282 1.00 0.00 H new ATOM 0 HA GLN A 83 11.624 14.336 -24.229 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.229 12.492 -24.411 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.403 11.863 -25.823 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.449 13.077 -26.474 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.026 13.860 -27.134 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.370 15.951 -26.336 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.486 16.950 -25.400 1.00 0.00 H new ATOM 1267 N MET A 84 10.108 15.206 -26.002 1.00 0.00 N ATOM 1268 CA MET A 84 9.320 15.838 -27.066 1.00 0.00 C ATOM 1269 C MET A 84 10.211 16.834 -27.826 1.00 0.00 C ATOM 1270 O MET A 84 10.735 17.776 -27.225 1.00 0.00 O ATOM 1271 CB MET A 84 8.096 16.561 -26.448 1.00 0.00 C ATOM 1272 CG MET A 84 7.215 15.689 -25.545 1.00 0.00 C ATOM 1273 SD MET A 84 5.690 16.517 -25.039 1.00 0.00 S ATOM 1274 CE MET A 84 6.284 18.000 -24.216 1.00 0.00 C ATOM 0 H MET A 84 10.313 15.834 -25.225 1.00 0.00 H new ATOM 0 HA MET A 84 8.958 15.082 -27.763 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.451 17.414 -25.869 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.481 16.958 -27.256 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.965 14.767 -26.070 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.781 15.406 -24.657 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.723 18.154 -23.295 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.342 17.887 -23.981 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.148 18.860 -24.872 1.00 0.00 H new ATOM 1284 N ASN A 85 10.403 16.606 -29.138 1.00 0.00 N ATOM 1285 CA ASN A 85 11.256 17.464 -30.002 1.00 0.00 C ATOM 1286 C ASN A 85 10.391 18.211 -31.028 1.00 0.00 C ATOM 1287 O ASN A 85 9.357 17.684 -31.468 1.00 0.00 O ATOM 1288 CB ASN A 85 12.335 16.610 -30.718 1.00 0.00 C ATOM 1289 CG ASN A 85 13.263 15.866 -29.754 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.524 16.321 -28.644 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.774 14.715 -30.174 1.00 0.00 N ATOM 0 H ASN A 85 9.975 15.825 -29.635 1.00 0.00 H new ATOM 0 HA ASN A 85 11.761 18.198 -29.374 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.842 15.886 -31.367 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.933 17.258 -31.359 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.401 14.185 -29.569 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.540 14.361 -31.101 1.00 0.00 H new ATOM 1298 N SER A 86 10.842 19.431 -31.401 1.00 0.00 N ATOM 1299 CA SER A 86 10.122 20.345 -32.307 1.00 0.00 C ATOM 1300 C SER A 86 8.709 20.637 -31.756 1.00 0.00 C ATOM 1301 O SER A 86 7.687 20.167 -32.282 1.00 0.00 O ATOM 1302 CB SER A 86 10.099 19.808 -33.763 1.00 0.00 C ATOM 1303 OG SER A 86 9.431 20.697 -34.648 1.00 0.00 O ATOM 0 H SER A 86 11.730 19.810 -31.074 1.00 0.00 H new ATOM 0 HA SER A 86 10.660 21.292 -32.347 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.121 19.653 -34.108 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.605 18.837 -33.783 1.00 0.00 H new ATOM 0 HG SER A 86 9.439 20.324 -35.554 1.00 0.00 H new ATOM 1309 N LEU A 87 8.691 21.373 -30.639 1.00 0.00 N ATOM 1310 CA LEU A 87 7.470 21.698 -29.896 1.00 0.00 C ATOM 1311 C LEU A 87 6.698 22.834 -30.560 1.00 0.00 C ATOM 1312 O LEU A 87 7.220 23.573 -31.392 1.00 0.00 O ATOM 1313 CB LEU A 87 7.814 21.997 -28.418 1.00 0.00 C ATOM 1314 CG LEU A 87 8.125 20.732 -27.558 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.596 21.106 -26.145 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.894 19.795 -27.518 1.00 0.00 C ATOM 0 H LEU A 87 9.535 21.764 -30.221 1.00 0.00 H new ATOM 0 HA LEU A 87 6.807 20.833 -29.912 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.676 22.663 -28.386 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.980 22.533 -27.965 1.00 0.00 H new ATOM 0 HG LEU A 87 8.948 20.196 -28.030 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.802 20.198 -25.578 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.503 21.707 -26.211 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.817 21.679 -25.642 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.125 18.917 -26.915 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.048 20.324 -27.080 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.641 19.483 -28.531 1.00 0.00 H new ATOM 1328 N LYS A 88 5.426 22.925 -30.205 1.00 0.00 N ATOM 1329 CA LYS A 88 4.447 23.789 -30.872 1.00 0.00 C ATOM 1330 C LYS A 88 3.755 24.655 -29.804 1.00 0.00 C ATOM 1331 O LYS A 88 3.601 24.188 -28.680 1.00 0.00 O ATOM 1332 CB LYS A 88 3.450 22.865 -31.624 1.00 0.00 C ATOM 1333 CG LYS A 88 4.128 21.888 -32.628 1.00 0.00 C ATOM 1334 CD LYS A 88 3.205 20.774 -33.191 1.00 0.00 C ATOM 1335 CE LYS A 88 2.795 19.703 -32.151 1.00 0.00 C ATOM 1336 NZ LYS A 88 1.819 20.212 -31.164 1.00 0.00 N ATOM 0 H LYS A 88 5.031 22.392 -29.430 1.00 0.00 H new ATOM 0 HA LYS A 88 4.907 24.464 -31.594 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.886 22.285 -30.893 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.733 23.484 -32.163 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.523 22.467 -33.463 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.979 21.418 -32.135 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.304 21.235 -33.596 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.712 20.283 -34.021 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.368 18.844 -32.669 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.684 19.350 -31.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.098 19.485 -30.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.310 20.443 -30.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.361 21.067 -31.538 1.00 0.00 H new ATOM 1350 N PRO A 89 3.340 25.931 -30.118 1.00 0.00 N ATOM 1351 CA PRO A 89 2.820 26.902 -29.101 1.00 0.00 C ATOM 1352 C PRO A 89 1.586 26.393 -28.313 1.00 0.00 C ATOM 1353 O PRO A 89 1.389 26.759 -27.143 1.00 0.00 O ATOM 1354 CB PRO A 89 2.460 28.157 -29.951 1.00 0.00 C ATOM 1355 CG PRO A 89 2.321 27.639 -31.348 1.00 0.00 C ATOM 1356 CD PRO A 89 3.355 26.546 -31.467 1.00 0.00 C ATOM 0 HA PRO A 89 3.560 27.087 -28.323 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.535 28.618 -29.605 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.239 28.917 -29.886 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.317 27.253 -31.527 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.495 28.428 -32.080 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.095 25.826 -32.243 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.338 26.945 -31.719 1.00 0.00 H new ATOM 1364 N GLU A 90 0.781 25.530 -28.968 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.454 24.967 -28.382 1.00 0.00 C ATOM 1366 C GLU A 90 -0.149 23.808 -27.396 1.00 0.00 C ATOM 1367 O GLU A 90 -1.066 23.273 -26.755 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.442 24.495 -29.496 1.00 0.00 C ATOM 1369 CG GLU A 90 -1.012 23.245 -30.328 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.077 23.481 -31.537 1.00 0.00 C ATOM 1371 OE1 GLU A 90 0.402 24.608 -31.761 1.00 0.00 O ATOM 1372 OE2 GLU A 90 0.185 22.501 -32.270 1.00 0.00 O ATOM 0 H GLU A 90 0.968 25.204 -29.916 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.932 25.766 -27.815 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.403 24.280 -29.030 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.600 25.325 -30.185 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.520 22.545 -29.653 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.916 22.756 -30.692 1.00 0.00 H new ATOM 1379 N ASP A 91 1.151 23.446 -27.262 1.00 0.00 N ATOM 1380 CA ASP A 91 1.640 22.454 -26.267 1.00 0.00 C ATOM 1381 C ASP A 91 1.937 23.137 -24.915 1.00 0.00 C ATOM 1382 O ASP A 91 2.771 22.671 -24.133 1.00 0.00 O ATOM 1383 CB ASP A 91 2.909 21.710 -26.794 1.00 0.00 C ATOM 1384 CG ASP A 91 2.705 20.979 -28.130 1.00 0.00 C ATOM 1385 OD1 ASP A 91 1.566 20.582 -28.443 1.00 0.00 O ATOM 1386 OD2 ASP A 91 3.691 20.789 -28.878 1.00 0.00 O ATOM 0 H ASP A 91 1.894 23.835 -27.843 1.00 0.00 H new ATOM 0 HA ASP A 91 0.852 21.716 -26.115 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.718 22.432 -26.908 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.230 20.988 -26.043 1.00 0.00 H new ATOM 1391 N THR A 92 1.263 24.264 -24.653 1.00 0.00 N ATOM 1392 CA THR A 92 1.199 24.859 -23.320 1.00 0.00 C ATOM 1393 C THR A 92 0.007 24.220 -22.574 1.00 0.00 C ATOM 1394 O THR A 92 -1.144 24.665 -22.706 1.00 0.00 O ATOM 1395 CB THR A 92 1.062 26.409 -23.412 1.00 0.00 C ATOM 1396 OG1 THR A 92 2.179 26.935 -24.147 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.993 27.075 -22.025 1.00 0.00 C ATOM 0 H THR A 92 0.748 24.786 -25.362 1.00 0.00 H new ATOM 0 HA THR A 92 2.119 24.663 -22.769 1.00 0.00 H new ATOM 0 HB THR A 92 0.126 26.633 -23.923 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.984 26.902 -25.107 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.898 28.154 -22.144 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.130 26.693 -21.480 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.902 26.850 -21.468 1.00 0.00 H new ATOM 1405 N ALA A 93 0.304 23.143 -21.826 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.716 22.294 -21.188 1.00 0.00 C ATOM 1407 C ALA A 93 -0.103 21.497 -20.024 1.00 0.00 C ATOM 1408 O ALA A 93 1.121 21.469 -19.853 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.348 21.346 -22.237 1.00 0.00 C ATOM 0 H ALA A 93 1.260 22.837 -21.647 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.502 22.931 -20.781 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.101 20.722 -21.756 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.815 21.936 -23.026 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.573 20.712 -22.668 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.966 20.878 -19.206 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.539 20.011 -18.104 1.00 0.00 C ATOM 1417 C VAL A 94 -0.371 18.559 -18.615 1.00 0.00 C ATOM 1418 O VAL A 94 -1.343 17.876 -18.953 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.529 20.112 -16.867 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -3.000 19.744 -17.199 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -1.013 19.293 -15.672 1.00 0.00 C ATOM 0 H VAL A 94 -1.979 20.966 -19.291 1.00 0.00 H new ATOM 0 HA VAL A 94 0.431 20.351 -17.740 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.544 21.167 -16.594 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.610 19.839 -16.301 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.379 20.417 -17.968 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.045 18.717 -17.562 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.712 19.382 -14.841 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.923 18.246 -15.960 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.037 19.670 -15.367 1.00 0.00 H new ATOM 1431 N TYR A 95 0.892 18.128 -18.744 1.00 0.00 N ATOM 1432 CA TYR A 95 1.245 16.756 -19.128 1.00 0.00 C ATOM 1433 C TYR A 95 1.368 15.918 -17.854 1.00 0.00 C ATOM 1434 O TYR A 95 2.226 16.190 -17.015 1.00 0.00 O ATOM 1435 CB TYR A 95 2.572 16.738 -19.945 1.00 0.00 C ATOM 1436 CG TYR A 95 2.428 17.205 -21.409 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.712 16.345 -22.481 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.999 18.501 -21.723 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.577 16.764 -23.795 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.865 18.918 -23.039 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.155 18.049 -24.067 1.00 0.00 C ATOM 1442 OH TYR A 95 2.015 18.464 -25.375 1.00 0.00 O ATOM 0 H TYR A 95 1.702 18.727 -18.583 1.00 0.00 H new ATOM 0 HA TYR A 95 0.469 16.335 -19.768 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.301 17.375 -19.444 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.975 15.725 -19.938 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.042 15.337 -22.278 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.768 19.190 -20.924 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.802 16.086 -24.605 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.534 19.923 -23.257 1.00 0.00 H new ATOM 0 HH TYR A 95 1.709 19.395 -25.392 1.00 0.00 H new ATOM 1452 N LEU A 96 0.467 14.937 -17.695 1.00 0.00 N ATOM 1453 CA LEU A 96 0.437 14.055 -16.519 1.00 0.00 C ATOM 1454 C LEU A 96 0.827 12.634 -16.931 1.00 0.00 C ATOM 1455 O LEU A 96 0.553 12.203 -18.052 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.962 14.125 -15.822 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.231 13.644 -16.634 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.484 12.119 -16.493 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.502 14.449 -16.244 1.00 0.00 C ATOM 0 H LEU A 96 -0.262 14.733 -18.379 1.00 0.00 H new ATOM 0 HA LEU A 96 1.168 14.390 -15.783 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.908 13.533 -14.909 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.132 15.159 -15.522 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.012 13.841 -17.684 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.366 11.842 -17.070 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.619 11.571 -16.867 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.644 11.872 -15.443 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.352 14.089 -16.823 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.705 14.317 -15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.341 15.507 -16.454 1.00 0.00 H new ATOM 1471 N CYS A 97 1.488 11.921 -16.025 1.00 0.00 N ATOM 1472 CA CYS A 97 1.849 10.515 -16.209 1.00 0.00 C ATOM 1473 C CYS A 97 0.721 9.635 -15.658 1.00 0.00 C ATOM 1474 O CYS A 97 -0.105 10.091 -14.865 1.00 0.00 O ATOM 1475 CB CYS A 97 3.186 10.206 -15.504 1.00 0.00 C ATOM 1476 SG CYS A 97 3.801 8.524 -15.771 1.00 0.00 S ATOM 0 H CYS A 97 1.793 12.306 -15.131 1.00 0.00 H new ATOM 0 HA CYS A 97 1.980 10.305 -17.271 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.938 10.914 -15.851 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.065 10.370 -14.433 1.00 0.00 H new ATOM 0 HG CYS A 97 3.310 8.053 -16.879 1.00 0.00 H new ATOM 1482 N ALA A 98 0.674 8.388 -16.106 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.316 7.398 -15.668 1.00 0.00 C ATOM 1484 C ALA A 98 0.392 6.079 -15.379 1.00 0.00 C ATOM 1485 O ALA A 98 1.515 5.864 -15.849 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.412 7.219 -16.726 1.00 0.00 C ATOM 0 H ALA A 98 1.331 8.024 -16.796 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.801 7.748 -14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.135 6.480 -16.380 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.917 8.171 -16.892 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.964 6.878 -17.660 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.256 5.219 -14.591 1.00 0.00 N ATOM 1493 CA ALA A 99 0.281 3.904 -14.205 1.00 0.00 C ATOM 1494 C ALA A 99 -0.858 2.924 -13.904 1.00 0.00 C ATOM 1495 O ALA A 99 -2.021 3.313 -13.867 1.00 0.00 O ATOM 1496 CB ALA A 99 1.229 4.038 -13.005 1.00 0.00 C ATOM 0 H ALA A 99 -1.177 5.413 -14.197 1.00 0.00 H new ATOM 0 HA ALA A 99 0.854 3.505 -15.042 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.615 3.055 -12.735 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.059 4.694 -13.268 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.687 4.460 -12.159 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.512 1.641 -13.743 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.469 0.606 -13.384 1.00 0.00 C ATOM 1504 C GLY A 100 -1.071 -0.746 -13.930 1.00 0.00 C ATOM 1505 O GLY A 100 0.118 -1.023 -14.118 1.00 0.00 O ATOM 0 H GLY A 100 0.442 1.299 -13.860 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.551 0.549 -12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.454 0.875 -13.765 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.428 3.395 -16.987 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.696 4.229 -16.006 1.00 0.00 C ATOM 1654 C PRO A 110 -5.300 4.087 -14.583 1.00 0.00 C ATOM 1655 O PRO A 110 -6.149 4.879 -14.165 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.833 5.667 -16.581 1.00 0.00 C ATOM 1657 CG PRO A 110 -6.107 5.640 -17.378 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.223 4.233 -17.934 1.00 0.00 C ATOM 0 HA PRO A 110 -3.653 3.939 -15.882 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.880 6.409 -15.784 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.979 5.926 -17.208 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.965 5.884 -16.751 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.080 6.376 -18.182 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.262 3.907 -17.977 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.827 4.172 -18.948 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.871 3.028 -13.874 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.314 2.720 -12.492 1.00 0.00 C ATOM 1668 C ASP A 111 -4.768 3.765 -11.488 1.00 0.00 C ATOM 1669 O ASP A 111 -5.280 3.912 -10.377 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.854 1.281 -12.131 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.310 0.786 -10.743 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -4.453 0.521 -9.872 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -6.530 0.650 -10.523 1.00 0.00 O ATOM 0 H ASP A 111 -4.201 2.353 -14.242 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.401 2.771 -12.434 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.231 0.593 -12.888 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.766 1.240 -12.176 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.725 4.490 -11.917 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.115 5.608 -11.186 1.00 0.00 C ATOM 1680 C TYR A 112 -2.886 6.764 -12.169 1.00 0.00 C ATOM 1681 O TYR A 112 -2.709 6.537 -13.375 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.757 5.202 -10.546 1.00 0.00 C ATOM 1683 CG TYR A 112 -1.850 4.074 -9.511 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.286 4.325 -8.203 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -1.510 2.760 -9.838 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -2.377 3.308 -7.271 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -1.598 1.746 -8.906 1.00 0.00 C ATOM 1688 CZ TYR A 112 -2.032 2.019 -7.630 1.00 0.00 C ATOM 1689 OH TYR A 112 -2.124 1.000 -6.708 1.00 0.00 O ATOM 0 H TYR A 112 -3.269 4.308 -12.811 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.787 5.906 -10.381 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.075 4.895 -11.338 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.318 6.079 -10.070 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.556 5.331 -7.918 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.172 2.533 -10.838 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.716 3.520 -6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -1.326 0.737 -9.179 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.845 0.157 -7.123 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.906 7.997 -11.651 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.544 9.215 -12.405 1.00 0.00 C ATOM 1701 C TRP A 113 -1.463 9.984 -11.635 1.00 0.00 C ATOM 1702 O TRP A 113 -1.251 9.756 -10.433 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.786 10.120 -12.655 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.843 9.495 -13.543 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.917 9.552 -14.909 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.970 8.716 -13.118 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -6.027 8.879 -15.349 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.687 8.354 -14.271 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.442 8.297 -11.870 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.850 7.592 -14.217 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.594 7.540 -11.816 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.286 7.194 -12.982 1.00 0.00 C ATOM 0 H TRP A 113 -3.176 8.186 -10.686 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.157 8.919 -13.380 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.237 10.372 -11.695 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.455 11.055 -13.107 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.205 10.054 -15.547 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.315 8.785 -16.323 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.914 8.561 -10.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.388 7.325 -15.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.968 7.209 -10.858 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.184 6.599 -12.906 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.781 10.884 -12.341 1.00 0.00 N ATOM 1724 CA GLY A 114 0.283 11.691 -11.764 1.00 0.00 C ATOM 1725 C GLY A 114 -0.224 13.032 -11.280 1.00 0.00 C ATOM 1726 O GLY A 114 -1.408 13.361 -11.452 1.00 0.00 O ATOM 0 H GLY A 114 -0.953 11.071 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.736 11.153 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.065 11.846 -12.507 1.00 0.00 H new ATOM 1730 N GLN A 115 0.689 13.806 -10.684 1.00 0.00 N ATOM 1731 CA GLN A 115 0.401 15.158 -10.169 1.00 0.00 C ATOM 1732 C GLN A 115 0.104 16.141 -11.318 1.00 0.00 C ATOM 1733 O GLN A 115 -0.585 17.152 -11.120 1.00 0.00 O ATOM 1734 CB GLN A 115 1.601 15.671 -9.328 1.00 0.00 C ATOM 1735 CG GLN A 115 2.937 15.749 -10.099 1.00 0.00 C ATOM 1736 CD GLN A 115 4.088 16.296 -9.259 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.785 15.547 -8.579 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.291 17.604 -9.288 1.00 0.00 N ATOM 0 H GLN A 115 1.656 13.514 -10.542 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.485 15.099 -9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.361 16.662 -8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.731 15.016 -8.467 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.200 14.754 -10.458 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.805 16.381 -10.977 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.695 18.200 -9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.043 18.016 -8.736 1.00 0.00 H new ATOM 1747 N GLY A 116 0.652 15.832 -12.504 1.00 0.00 N ATOM 1748 CA GLY A 116 0.513 16.669 -13.682 1.00 0.00 C ATOM 1749 C GLY A 116 1.467 17.850 -13.649 1.00 0.00 C ATOM 1750 O GLY A 116 1.290 18.767 -12.836 1.00 0.00 O ATOM 0 H GLY A 116 1.204 14.989 -12.662 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.702 16.074 -14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.513 17.032 -13.752 1.00 0.00 H new ATOM 1754 N THR A 117 2.472 17.844 -14.535 1.00 0.00 N ATOM 1755 CA THR A 117 3.460 18.923 -14.624 1.00 0.00 C ATOM 1756 C THR A 117 3.087 19.894 -15.783 1.00 0.00 C ATOM 1757 O THR A 117 2.961 19.491 -16.951 1.00 0.00 O ATOM 1758 CB THR A 117 4.916 18.340 -14.761 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.882 19.405 -14.779 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.103 17.444 -16.000 1.00 0.00 C ATOM 0 H THR A 117 2.621 17.092 -15.208 1.00 0.00 H new ATOM 0 HA THR A 117 3.447 19.502 -13.701 1.00 0.00 H new ATOM 0 HB THR A 117 5.073 17.707 -13.888 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.591 19.215 -14.129 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.129 17.077 -16.032 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.417 16.599 -15.945 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.896 18.021 -16.901 1.00 0.00 H new ATOM 1768 N GLN A 118 2.843 21.172 -15.414 1.00 0.00 N ATOM 1769 CA GLN A 118 2.419 22.234 -16.344 1.00 0.00 C ATOM 1770 C GLN A 118 3.598 22.733 -17.188 1.00 0.00 C ATOM 1771 O GLN A 118 4.455 23.467 -16.686 1.00 0.00 O ATOM 1772 CB GLN A 118 1.780 23.424 -15.550 1.00 0.00 C ATOM 1773 CG GLN A 118 0.302 23.222 -15.124 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.746 23.616 -16.198 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -1.853 24.028 -15.864 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.423 23.490 -17.487 1.00 0.00 N ATOM 0 H GLN A 118 2.937 21.495 -14.451 1.00 0.00 H new ATOM 0 HA GLN A 118 1.673 21.815 -17.019 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.377 23.604 -14.656 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.844 24.323 -16.162 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.155 22.175 -14.860 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.115 23.807 -14.223 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.501 23.146 -17.750 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.100 23.737 -18.209 1.00 0.00 H new ATOM 1785 N VAL A 119 3.646 22.312 -18.460 1.00 0.00 N ATOM 1786 CA VAL A 119 4.635 22.809 -19.431 1.00 0.00 C ATOM 1787 C VAL A 119 4.065 24.043 -20.155 1.00 0.00 C ATOM 1788 O VAL A 119 2.836 24.194 -20.283 1.00 0.00 O ATOM 1789 CB VAL A 119 5.054 21.698 -20.478 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.476 20.392 -19.761 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.946 21.420 -21.521 1.00 0.00 C ATOM 0 H VAL A 119 3.003 21.620 -18.845 1.00 0.00 H new ATOM 0 HA VAL A 119 5.536 23.085 -18.884 1.00 0.00 H new ATOM 0 HB VAL A 119 5.913 22.088 -21.024 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.759 19.645 -20.503 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.324 20.594 -19.107 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.642 20.017 -19.168 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.284 20.651 -22.215 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.045 21.079 -21.012 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.727 22.335 -22.072 1.00 0.00 H new ATOM 1801 N THR A 120 4.953 24.932 -20.603 1.00 0.00 N ATOM 1802 CA THR A 120 4.590 26.110 -21.399 1.00 0.00 C ATOM 1803 C THR A 120 5.524 26.206 -22.598 1.00 0.00 C ATOM 1804 O THR A 120 6.701 26.499 -22.442 1.00 0.00 O ATOM 1805 CB THR A 120 4.666 27.426 -20.542 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.787 27.314 -19.412 1.00 0.00 O ATOM 1807 CG2 THR A 120 4.299 28.700 -21.345 1.00 0.00 C ATOM 0 H THR A 120 5.954 24.856 -20.423 1.00 0.00 H new ATOM 0 HA THR A 120 3.560 26.000 -21.739 1.00 0.00 H new ATOM 0 HB THR A 120 5.703 27.534 -20.223 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.836 28.134 -18.877 1.00 0.00 H new ATOM 0 HG21 THR A 120 4.371 29.573 -20.696 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.987 28.813 -22.183 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.280 28.612 -21.722 1.00 0.00 H new ATOM 1815 N VAL A 121 5.027 25.893 -23.793 1.00 0.00 N ATOM 1816 CA VAL A 121 5.778 26.168 -25.019 1.00 0.00 C ATOM 1817 C VAL A 121 5.353 27.557 -25.531 1.00 0.00 C ATOM 1818 O VAL A 121 4.297 27.695 -26.162 1.00 0.00 O ATOM 1819 CB VAL A 121 5.549 25.061 -26.107 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.446 25.310 -27.344 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.780 23.645 -25.514 1.00 0.00 C ATOM 0 H VAL A 121 4.118 25.454 -23.940 1.00 0.00 H new ATOM 0 HA VAL A 121 6.846 26.158 -24.804 1.00 0.00 H new ATOM 0 HB VAL A 121 4.511 25.115 -26.435 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.270 24.530 -28.084 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.207 26.282 -27.777 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.493 25.294 -27.043 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.615 22.895 -26.288 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.803 23.567 -25.145 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.084 23.477 -24.692 1.00 0.00 H new ATOM 1831 N SER A 122 6.147 28.600 -25.181 1.00 0.00 N ATOM 1832 CA SER A 122 5.907 29.977 -25.654 1.00 0.00 C ATOM 1833 C SER A 122 6.172 30.089 -27.179 1.00 0.00 C ATOM 1834 O SER A 122 7.091 29.444 -27.701 1.00 0.00 O ATOM 1835 CB SER A 122 6.786 30.965 -24.864 1.00 0.00 C ATOM 1836 OG SER A 122 6.433 32.314 -25.126 1.00 0.00 O ATOM 0 H SER A 122 6.959 28.508 -24.571 1.00 0.00 H new ATOM 0 HA SER A 122 4.861 30.231 -25.481 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.688 30.765 -23.797 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.833 30.807 -25.123 1.00 0.00 H new ATOM 0 HG SER A 122 7.011 32.910 -24.606 1.00 0.00 H new ATOM 1842 N SER A 123 5.364 30.917 -27.864 1.00 0.00 N ATOM 1843 CA SER A 123 5.359 31.040 -29.336 1.00 0.00 C ATOM 1844 C SER A 123 6.670 31.671 -29.865 1.00 0.00 C ATOM 1845 O SER A 123 6.804 32.893 -29.895 1.00 0.00 O ATOM 1846 CB SER A 123 4.134 31.886 -29.760 1.00 0.00 C ATOM 1847 OG SER A 123 2.933 31.353 -29.230 1.00 0.00 O ATOM 0 H SER A 123 4.687 31.528 -27.407 1.00 0.00 H new ATOM 0 HA SER A 123 5.292 30.043 -29.772 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.262 32.913 -29.417 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.071 31.919 -30.848 1.00 0.00 H new ATOM 0 HG SER A 123 2.176 31.908 -29.512 1.00 0.00 H new ATOM 1853 N LEU A 124 7.652 30.801 -30.213 1.00 0.00 N ATOM 1854 CA LEU A 124 8.980 31.200 -30.769 1.00 0.00 C ATOM 1855 C LEU A 124 9.810 32.080 -29.797 1.00 0.00 C ATOM 1856 O LEU A 124 10.827 32.659 -30.201 1.00 0.00 O ATOM 1857 CB LEU A 124 8.834 31.907 -32.173 1.00 0.00 C ATOM 1858 CG LEU A 124 8.660 30.996 -33.436 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.842 30.022 -33.593 1.00 0.00 C ATOM 1860 CD2 LEU A 124 7.310 30.255 -33.435 1.00 0.00 C ATOM 0 H LEU A 124 7.548 29.791 -30.116 1.00 0.00 H new ATOM 0 HA LEU A 124 9.534 30.271 -30.905 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.976 32.577 -32.123 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.716 32.529 -32.328 1.00 0.00 H new ATOM 0 HG LEU A 124 8.657 31.653 -34.306 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.690 29.405 -34.478 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.768 30.587 -33.700 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.906 29.383 -32.712 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.234 29.636 -34.329 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.242 29.623 -32.549 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.497 30.981 -33.426 1.00 0.00 H new