USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 64 SER OG : rot 180:sc= 0.183 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.0155 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -5.99! C(o=-5.8!,f=-7.4!) USER MOD Set 2.2: A 63 HIS :FLIP no HD1:sc= 0.184 F(o=-6.9,f=-5.8) USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.648 K(o=2,f=-6.3!) USER MOD Set 3.2: A 20 SER OG : rot -121:sc= 1.32 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -108:sc= 1.93 USER MOD Single : A 13 GLN : amide:sc= 1.09 K(o=1.1,f=-0.041) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0.15 K(o=0.15,f=-2.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 1.18 (180deg=1.13) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -149:sc= 0.945 USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 1.2 (180deg=1.07) USER MOD Single : A 49 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.87) USER MOD Single : A 55 THR OG1 : rot 96:sc= 2.23 USER MOD Single : A 57 ASN : amide:sc= -0.0764 K(o=-0.076,f=-2!) USER MOD Single : A 71 SER OG : rot -24:sc= 0.515 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.191 -7.361 -14.321 1.00 10.00 N ATOM 30 CA LYS A 5 -2.034 -8.424 -13.806 1.00 10.00 C ATOM 31 C LYS A 5 -2.832 -7.795 -12.668 1.00 10.00 C ATOM 32 O LYS A 5 -2.280 -6.999 -11.912 1.00 10.00 O ATOM 33 CB LYS A 5 -1.152 -9.573 -13.298 1.00 10.00 C ATOM 34 CG LYS A 5 -1.962 -10.815 -12.889 1.00 10.00 C ATOM 35 CD LYS A 5 -1.350 -11.433 -11.627 1.00 10.00 C ATOM 36 CE LYS A 5 -2.113 -12.678 -11.144 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.387 -13.934 -11.426 1.00 10.00 N ATOM 0 HA LYS A 5 -2.698 -8.840 -14.564 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.441 -9.850 -14.076 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.571 -9.227 -12.443 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.001 -10.540 -12.705 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -1.964 -11.544 -13.699 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.313 -11.702 -11.826 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.339 -10.688 -10.832 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.290 -12.598 -10.071 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -3.090 -12.711 -11.627 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.944 -14.742 -11.081 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.240 -14.027 -12.451 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -0.465 -13.918 -10.944 1.00 10.00 H new ATOM 51 N TYR A 6 -4.121 -8.109 -12.567 1.00 10.00 N ATOM 52 CA TYR A 6 -4.967 -7.591 -11.508 1.00 10.00 C ATOM 53 C TYR A 6 -4.987 -8.581 -10.340 1.00 10.00 C ATOM 54 O TYR A 6 -4.700 -9.762 -10.545 1.00 10.00 O ATOM 55 CB TYR A 6 -6.359 -7.303 -12.075 1.00 10.00 C ATOM 56 CG TYR A 6 -6.386 -6.669 -13.456 1.00 10.00 C ATOM 57 CD1 TYR A 6 -5.569 -5.559 -13.738 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.185 -7.221 -14.475 1.00 10.00 C ATOM 59 CE1 TYR A 6 -5.570 -4.986 -15.020 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.178 -6.655 -15.762 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.375 -5.533 -16.033 1.00 10.00 C ATOM 62 OH TYR A 6 -6.352 -4.988 -17.281 1.00 10.00 O ATOM 0 H TYR A 6 -4.603 -8.729 -13.218 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.576 -6.651 -11.119 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.917 -8.239 -12.113 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.885 -6.646 -11.383 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -4.938 -5.146 -12.965 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.805 -8.081 -14.268 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.952 -4.125 -15.227 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.790 -7.082 -16.543 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.964 -5.483 -17.865 1.00 10.00 H new ATOM 72 N TYR A 7 -5.302 -8.112 -9.127 1.00 10.00 N ATOM 73 CA TYR A 7 -5.336 -8.940 -7.924 1.00 10.00 C ATOM 74 C TYR A 7 -6.665 -8.744 -7.198 1.00 10.00 C ATOM 75 O TYR A 7 -7.171 -7.622 -7.126 1.00 10.00 O ATOM 76 CB TYR A 7 -4.168 -8.584 -7.000 1.00 10.00 C ATOM 77 CG TYR A 7 -2.804 -8.637 -7.650 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.119 -9.860 -7.746 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.220 -7.463 -8.159 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.856 -9.912 -8.359 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.994 -7.530 -8.841 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.309 -8.751 -8.935 1.00 10.00 C ATOM 83 OH TYR A 7 0.871 -8.818 -9.614 1.00 10.00 O ATOM 0 H TYR A 7 -5.542 -7.136 -8.955 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.241 -9.987 -8.212 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.328 -7.580 -6.606 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.176 -9.265 -6.149 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.564 -10.760 -7.348 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.713 -6.512 -8.026 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.306 -10.841 -8.388 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.578 -6.642 -9.293 1.00 10.00 H new ATOM 0 HH TYR A 7 1.107 -7.928 -9.949 1.00 10.00 H new ATOM 93 N THR A 8 -7.251 -9.838 -6.705 1.00 10.00 N ATOM 94 CA THR A 8 -8.511 -9.802 -5.976 1.00 10.00 C ATOM 95 C THR A 8 -8.274 -9.253 -4.572 1.00 10.00 C ATOM 96 O THR A 8 -7.170 -9.391 -4.039 1.00 10.00 O ATOM 97 CB THR A 8 -9.139 -11.206 -5.917 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.430 -12.042 -5.020 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.218 -11.849 -7.306 1.00 10.00 C ATOM 0 H THR A 8 -6.859 -10.775 -6.803 1.00 10.00 H new ATOM 0 HA THR A 8 -9.208 -9.145 -6.497 1.00 10.00 H new ATOM 0 HB THR A 8 -10.158 -11.090 -5.547 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.924 -12.711 -5.527 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.667 -12.839 -7.224 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.829 -11.227 -7.961 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.215 -11.939 -7.723 1.00 10.00 H new ATOM 107 N LEU A 9 -9.307 -8.666 -3.953 1.00 10.00 N ATOM 108 CA LEU A 9 -9.229 -8.223 -2.572 1.00 10.00 C ATOM 109 C LEU A 9 -8.702 -9.360 -1.701 1.00 10.00 C ATOM 110 O LEU A 9 -7.859 -9.123 -0.850 1.00 10.00 O ATOM 111 CB LEU A 9 -10.601 -7.742 -2.073 1.00 10.00 C ATOM 112 CG LEU A 9 -10.543 -6.344 -1.424 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.952 -5.867 -1.049 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.669 -6.304 -0.164 1.00 10.00 C ATOM 0 H LEU A 9 -10.208 -8.490 -4.398 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.541 -7.380 -2.509 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.300 -7.721 -2.909 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.991 -8.458 -1.349 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.097 -5.686 -2.170 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.892 -4.879 -0.592 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.569 -5.815 -1.946 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.397 -6.567 -0.342 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.668 -5.294 0.246 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.067 -6.997 0.577 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.649 -6.593 -0.419 1.00 10.00 H new ATOM 126 N GLU A 10 -9.172 -10.590 -1.936 1.00 10.00 N ATOM 127 CA GLU A 10 -8.726 -11.777 -1.220 1.00 10.00 C ATOM 128 C GLU A 10 -7.222 -11.984 -1.376 1.00 10.00 C ATOM 129 O GLU A 10 -6.485 -12.032 -0.390 1.00 10.00 O ATOM 130 CB GLU A 10 -9.489 -13.002 -1.729 1.00 10.00 C ATOM 131 CG GLU A 10 -9.275 -14.231 -0.832 1.00 10.00 C ATOM 132 CD GLU A 10 -9.820 -14.034 0.576 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.057 -13.904 0.691 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.984 -14.022 1.505 1.00 10.00 O ATOM 0 H GLU A 10 -9.883 -10.785 -2.641 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.933 -11.638 -0.159 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.553 -12.771 -1.778 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.166 -13.234 -2.744 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.758 -15.096 -1.286 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.209 -14.454 -0.777 1.00 10.00 H new ATOM 141 N GLU A 11 -6.759 -12.116 -2.623 1.00 10.00 N ATOM 142 CA GLU A 11 -5.342 -12.289 -2.900 1.00 10.00 C ATOM 143 C GLU A 11 -4.543 -11.218 -2.158 1.00 10.00 C ATOM 144 O GLU A 11 -3.594 -11.522 -1.441 1.00 10.00 O ATOM 145 CB GLU A 11 -5.065 -12.217 -4.410 1.00 10.00 C ATOM 146 CG GLU A 11 -4.805 -13.601 -5.018 1.00 10.00 C ATOM 147 CD GLU A 11 -6.074 -14.432 -5.102 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.946 -14.022 -5.902 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.145 -15.443 -4.364 1.00 10.00 O ATOM 0 H GLU A 11 -7.351 -12.105 -3.453 1.00 10.00 H new ATOM 0 HA GLU A 11 -5.033 -13.275 -2.551 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.915 -11.755 -4.912 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.202 -11.575 -4.589 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.381 -13.485 -6.015 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -4.065 -14.129 -4.416 1.00 10.00 H new ATOM 156 N ILE A 12 -4.948 -9.960 -2.315 1.00 10.00 N ATOM 157 CA ILE A 12 -4.279 -8.845 -1.673 1.00 10.00 C ATOM 158 C ILE A 12 -4.325 -9.002 -0.144 1.00 10.00 C ATOM 159 O ILE A 12 -3.298 -8.864 0.517 1.00 10.00 O ATOM 160 CB ILE A 12 -4.870 -7.519 -2.187 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.734 -7.396 -3.718 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.129 -6.338 -1.552 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.798 -6.455 -4.287 1.00 10.00 C ATOM 0 H ILE A 12 -5.747 -9.692 -2.890 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.221 -8.833 -1.936 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.926 -7.508 -1.917 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.741 -7.024 -3.970 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.831 -8.380 -4.176 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.552 -5.403 -1.920 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.235 -6.383 -0.468 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.073 -6.387 -1.816 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.681 -6.385 -5.368 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.789 -6.843 -4.054 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.683 -5.465 -3.845 1.00 10.00 H new ATOM 175 N GLN A 13 -5.488 -9.335 0.428 1.00 10.00 N ATOM 176 CA GLN A 13 -5.679 -9.575 1.844 1.00 10.00 C ATOM 177 C GLN A 13 -4.700 -10.625 2.352 1.00 10.00 C ATOM 178 O GLN A 13 -4.112 -10.420 3.407 1.00 10.00 O ATOM 179 CB GLN A 13 -7.127 -9.983 2.153 1.00 10.00 C ATOM 180 CG GLN A 13 -8.128 -8.815 2.176 1.00 10.00 C ATOM 181 CD GLN A 13 -8.934 -8.760 3.475 1.00 10.00 C ATOM 182 OE1 GLN A 13 -9.706 -9.664 3.771 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.784 -7.702 4.263 1.00 10.00 N ATOM 0 H GLN A 13 -6.347 -9.446 -0.111 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.480 -8.640 2.368 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.453 -10.710 1.409 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.151 -10.485 3.120 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.589 -7.876 2.046 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.811 -8.910 1.332 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.137 -6.959 4.001 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.316 -7.633 5.130 1.00 10.00 H new ATOM 192 N LYS A 14 -4.477 -11.730 1.632 1.00 10.00 N ATOM 193 CA LYS A 14 -3.502 -12.723 2.073 1.00 10.00 C ATOM 194 C LYS A 14 -2.122 -12.088 2.329 1.00 10.00 C ATOM 195 O LYS A 14 -1.400 -12.509 3.232 1.00 10.00 O ATOM 196 CB LYS A 14 -3.405 -13.891 1.083 1.00 10.00 C ATOM 197 CG LYS A 14 -4.698 -14.714 0.973 1.00 10.00 C ATOM 198 CD LYS A 14 -4.409 -16.055 0.275 1.00 10.00 C ATOM 199 CE LYS A 14 -5.502 -16.393 -0.751 1.00 10.00 C ATOM 200 NZ LYS A 14 -5.237 -17.662 -1.460 1.00 10.00 N ATOM 0 H LYS A 14 -4.951 -11.954 0.757 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.856 -13.125 3.022 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.148 -13.501 0.098 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.591 -14.548 1.388 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.111 -14.893 1.966 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.448 -14.156 0.412 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.441 -16.008 -0.223 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.346 -16.849 1.019 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.465 -16.458 -0.244 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.578 -15.583 -1.477 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -6.002 -17.846 -2.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.331 -17.594 -1.967 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.191 -18.441 -0.772 1.00 10.00 H new ATOM 214 N HIS A 15 -1.769 -11.038 1.586 1.00 10.00 N ATOM 215 CA HIS A 15 -0.520 -10.305 1.746 1.00 10.00 C ATOM 216 C HIS A 15 -0.733 -9.173 2.765 1.00 10.00 C ATOM 217 O HIS A 15 -0.652 -7.985 2.438 1.00 10.00 O ATOM 218 CB HIS A 15 -0.029 -9.807 0.379 1.00 10.00 C ATOM 219 CG HIS A 15 0.378 -10.880 -0.608 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.548 -10.895 -1.333 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.388 -11.922 -1.061 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.479 -11.914 -2.206 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.322 -12.580 -2.070 1.00 10.00 N ATOM 0 H HIS A 15 -2.359 -10.668 0.841 1.00 10.00 H new ATOM 0 HA HIS A 15 0.265 -10.952 2.138 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.819 -9.206 -0.072 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.823 -9.146 0.539 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.371 -12.189 -0.701 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.250 -12.163 -2.920 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.021 -13.400 -2.596 1.00 10.00 H new ATOM 231 N ASN A 16 -0.992 -9.578 4.017 1.00 10.00 N ATOM 232 CA ASN A 16 -1.198 -8.707 5.181 1.00 10.00 C ATOM 233 C ASN A 16 -0.144 -8.973 6.255 1.00 10.00 C ATOM 234 O ASN A 16 -0.430 -8.860 7.443 1.00 10.00 O ATOM 235 CB ASN A 16 -2.603 -8.902 5.788 1.00 10.00 C ATOM 236 CG ASN A 16 -2.799 -10.277 6.434 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.888 -10.415 7.650 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.878 -11.319 5.615 1.00 10.00 N ATOM 0 H ASN A 16 -1.067 -10.567 4.255 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.105 -7.679 4.832 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.779 -8.129 6.536 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.351 -8.765 5.007 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.015 -12.256 5.994 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.802 -11.182 4.607 1.00 10.00 H new ATOM 292 N SER A 20 4.998 -9.510 3.416 1.00 10.00 N ATOM 293 CA SER A 20 4.390 -8.975 2.208 1.00 10.00 C ATOM 294 C SER A 20 3.240 -8.054 2.626 1.00 10.00 C ATOM 295 O SER A 20 2.134 -8.524 2.883 1.00 10.00 O ATOM 296 CB SER A 20 3.907 -10.113 1.293 1.00 10.00 C ATOM 297 OG SER A 20 3.616 -9.644 -0.012 1.00 10.00 O ATOM 0 HA SER A 20 5.120 -8.404 1.634 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.672 -10.888 1.240 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.017 -10.573 1.722 1.00 10.00 H new ATOM 0 HG SER A 20 2.681 -9.841 -0.229 1.00 10.00 H new ATOM 303 N THR A 21 3.522 -6.755 2.703 1.00 10.00 N ATOM 304 CA THR A 21 2.566 -5.683 2.917 1.00 10.00 C ATOM 305 C THR A 21 2.081 -5.197 1.554 1.00 10.00 C ATOM 306 O THR A 21 2.741 -4.367 0.922 1.00 10.00 O ATOM 307 CB THR A 21 3.247 -4.572 3.733 1.00 10.00 C ATOM 308 OG1 THR A 21 3.380 -5.031 5.063 1.00 10.00 O ATOM 309 CG2 THR A 21 2.493 -3.233 3.704 1.00 10.00 C ATOM 0 H THR A 21 4.477 -6.409 2.612 1.00 10.00 H new ATOM 0 HA THR A 21 1.697 -6.019 3.482 1.00 10.00 H new ATOM 0 HB THR A 21 4.217 -4.368 3.280 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.814 -4.340 5.606 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.033 -2.498 4.301 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.418 -2.880 2.675 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.493 -3.370 4.115 1.00 10.00 H new ATOM 317 N TRP A 22 0.942 -5.729 1.100 1.00 10.00 N ATOM 318 CA TRP A 22 0.217 -5.201 -0.048 1.00 10.00 C ATOM 319 C TRP A 22 -0.963 -4.387 0.464 1.00 10.00 C ATOM 320 O TRP A 22 -1.227 -4.392 1.660 1.00 10.00 O ATOM 321 CB TRP A 22 -0.280 -6.352 -0.915 1.00 10.00 C ATOM 322 CG TRP A 22 0.759 -7.125 -1.658 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.090 -7.085 -1.445 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.575 -7.985 -2.819 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.736 -7.844 -2.385 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.855 -8.416 -3.276 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.547 -8.406 -3.558 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.014 -9.219 -4.414 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.406 -9.241 -4.677 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.871 -9.636 -5.118 1.00 10.00 C ATOM 0 H TRP A 22 0.499 -6.543 1.525 1.00 10.00 H new ATOM 0 HA TRP A 22 0.871 -4.570 -0.650 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.830 -7.045 -0.279 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.990 -5.952 -1.639 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.575 -6.536 -0.651 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.748 -7.970 -2.421 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.532 -8.081 -3.259 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.999 -9.513 -4.745 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.284 -9.583 -5.204 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.972 -10.258 -5.995 1.00 10.00 H new ATOM 341 N LEU A 23 -1.672 -3.679 -0.414 1.00 10.00 N ATOM 342 CA LEU A 23 -2.820 -2.851 -0.067 1.00 10.00 C ATOM 343 C LEU A 23 -3.375 -2.251 -1.352 1.00 10.00 C ATOM 344 O LEU A 23 -2.708 -2.325 -2.386 1.00 10.00 O ATOM 345 CB LEU A 23 -2.472 -1.769 0.971 1.00 10.00 C ATOM 346 CG LEU A 23 -1.063 -1.164 0.841 1.00 10.00 C ATOM 347 CD1 LEU A 23 -0.953 -0.221 -0.350 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.729 -0.359 2.091 1.00 10.00 C ATOM 0 H LEU A 23 -1.456 -3.667 -1.411 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.580 -3.470 0.410 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.204 -0.965 0.893 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.575 -2.198 1.968 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.373 -1.997 0.705 1.00 10.00 H new ATOM 0 HD11 LEU A 23 0.058 0.182 -0.403 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.174 -0.766 -1.267 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.664 0.597 -0.233 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.270 0.067 1.993 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.456 0.444 2.212 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.761 -1.012 2.963 1.00 10.00 H new ATOM 360 N ILE A 24 -4.579 -1.676 -1.282 1.00 10.00 N ATOM 361 CA ILE A 24 -5.237 -1.021 -2.408 1.00 10.00 C ATOM 362 C ILE A 24 -5.335 0.473 -2.106 1.00 10.00 C ATOM 363 O ILE A 24 -5.955 0.851 -1.110 1.00 10.00 O ATOM 364 CB ILE A 24 -6.621 -1.643 -2.658 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.505 -3.104 -3.106 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.412 -0.853 -3.713 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.720 -3.896 -2.597 1.00 10.00 C ATOM 0 H ILE A 24 -5.131 -1.654 -0.424 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.657 -1.162 -3.320 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.157 -1.602 -1.710 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.452 -3.159 -4.193 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.585 -3.542 -2.719 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.385 -1.321 -3.864 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.552 0.172 -3.370 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.861 -0.849 -4.653 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.637 -4.935 -2.916 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.753 -3.852 -1.508 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.633 -3.463 -3.005 1.00 10.00 H new ATOM 379 N LEU A 25 -4.700 1.305 -2.943 1.00 10.00 N ATOM 380 CA LEU A 25 -4.764 2.760 -2.888 1.00 10.00 C ATOM 381 C LEU A 25 -5.309 3.258 -4.229 1.00 10.00 C ATOM 382 O LEU A 25 -4.600 3.273 -5.233 1.00 10.00 O ATOM 383 CB LEU A 25 -3.369 3.359 -2.639 1.00 10.00 C ATOM 384 CG LEU A 25 -2.786 3.431 -1.225 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.548 2.590 -0.222 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.285 3.103 -1.229 1.00 10.00 C ATOM 0 H LEU A 25 -4.109 0.965 -3.701 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.412 3.069 -2.068 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.664 2.792 -3.247 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.383 4.376 -3.032 1.00 10.00 H new ATOM 0 HG LEU A 25 -2.904 4.462 -0.892 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.084 2.685 0.760 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.581 2.933 -0.170 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.528 1.546 -0.533 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.897 3.162 -0.212 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.134 2.096 -1.618 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.758 3.818 -1.860 1.00 10.00 H new ATOM 398 N HIS A 26 -6.571 3.678 -4.257 1.00 10.00 N ATOM 399 CA HIS A 26 -7.243 4.213 -5.434 1.00 10.00 C ATOM 400 C HIS A 26 -7.305 3.160 -6.541 1.00 10.00 C ATOM 401 O HIS A 26 -6.891 3.438 -7.673 1.00 10.00 O ATOM 402 CB HIS A 26 -6.600 5.516 -5.935 1.00 10.00 C ATOM 403 CG HIS A 26 -6.340 6.546 -4.869 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.208 7.517 -4.425 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.161 6.702 -4.196 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.557 8.241 -3.497 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.303 7.788 -3.329 1.00 10.00 N ATOM 0 H HIS A 26 -7.172 3.654 -3.433 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.262 4.466 -5.140 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.656 5.274 -6.423 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.248 5.955 -6.694 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.276 6.094 -4.314 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -6.985 9.074 -2.959 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -4.597 8.162 -2.695 1.00 10.00 H new ATOM 415 N TYR A 27 -7.833 1.980 -6.185 1.00 10.00 N ATOM 416 CA TYR A 27 -8.091 0.825 -7.046 1.00 10.00 C ATOM 417 C TYR A 27 -6.807 0.205 -7.619 1.00 10.00 C ATOM 418 O TYR A 27 -6.863 -0.600 -8.549 1.00 10.00 O ATOM 419 CB TYR A 27 -9.120 1.171 -8.136 1.00 10.00 C ATOM 420 CG TYR A 27 -10.462 1.680 -7.626 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.618 3.024 -7.235 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.575 0.818 -7.584 1.00 10.00 C ATOM 423 CE1 TYR A 27 -11.846 3.475 -6.720 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.809 1.275 -7.092 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.941 2.598 -6.643 1.00 10.00 C ATOM 426 OH TYR A 27 -14.145 3.040 -6.183 1.00 10.00 O ATOM 0 H TYR A 27 -8.109 1.799 -5.220 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.527 0.048 -6.418 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.689 1.927 -8.793 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.294 0.283 -8.743 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.791 3.711 -7.331 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.479 -0.200 -7.932 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.948 4.496 -6.383 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.657 0.607 -7.059 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.791 2.303 -6.197 1.00 10.00 H new ATOM 436 N LYS A 28 -5.648 0.560 -7.054 1.00 10.00 N ATOM 437 CA LYS A 28 -4.336 0.168 -7.543 1.00 10.00 C ATOM 438 C LYS A 28 -3.588 -0.542 -6.419 1.00 10.00 C ATOM 439 O LYS A 28 -3.684 -0.106 -5.269 1.00 10.00 O ATOM 440 CB LYS A 28 -3.593 1.418 -8.019 1.00 10.00 C ATOM 441 CG LYS A 28 -4.294 2.033 -9.236 1.00 10.00 C ATOM 442 CD LYS A 28 -3.650 3.351 -9.675 1.00 10.00 C ATOM 443 CE LYS A 28 -4.704 4.256 -10.327 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.348 5.137 -9.330 1.00 10.00 N ATOM 0 H LYS A 28 -5.603 1.145 -6.220 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.417 -0.519 -8.386 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.546 2.149 -7.212 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.565 1.161 -8.276 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.267 1.325 -10.064 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.344 2.206 -8.999 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.208 3.854 -8.815 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.842 3.154 -10.379 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.236 4.862 -11.102 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.461 3.642 -10.816 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.941 5.838 -9.818 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.940 4.566 -8.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.617 5.627 -8.776 1.00 10.00 H new ATOM 458 N VAL A 29 -2.886 -1.637 -6.741 1.00 10.00 N ATOM 459 CA VAL A 29 -2.188 -2.455 -5.759 1.00 10.00 C ATOM 460 C VAL A 29 -0.703 -2.095 -5.729 1.00 10.00 C ATOM 461 O VAL A 29 -0.062 -1.981 -6.778 1.00 10.00 O ATOM 462 CB VAL A 29 -2.377 -3.949 -6.053 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.954 -4.793 -4.843 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.833 -4.271 -6.378 1.00 10.00 C ATOM 0 H VAL A 29 -2.790 -1.976 -7.698 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.616 -2.250 -4.778 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.753 -4.188 -6.914 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.095 -5.850 -5.069 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.904 -4.607 -4.619 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.563 -4.523 -3.980 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.933 -5.337 -6.581 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.463 -4.003 -5.530 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.144 -3.704 -7.255 1.00 10.00 H new ATOM 474 N TYR A 30 -0.168 -1.940 -4.515 1.00 10.00 N ATOM 475 CA TYR A 30 1.207 -1.538 -4.265 1.00 10.00 C ATOM 476 C TYR A 30 1.870 -2.569 -3.358 1.00 10.00 C ATOM 477 O TYR A 30 1.476 -2.699 -2.201 1.00 10.00 O ATOM 478 CB TYR A 30 1.198 -0.150 -3.618 1.00 10.00 C ATOM 479 CG TYR A 30 0.557 0.901 -4.497 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.285 1.490 -5.543 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.826 1.123 -4.410 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.661 2.410 -6.407 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.445 2.013 -5.298 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.692 2.720 -6.239 1.00 10.00 C ATOM 485 OH TYR A 30 -1.273 3.715 -6.965 1.00 10.00 O ATOM 0 H TYR A 30 -0.700 -2.097 -3.659 1.00 10.00 H new ATOM 0 HA TYR A 30 1.775 -1.487 -5.194 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.663 -0.200 -2.669 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.222 0.147 -3.392 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.325 1.237 -5.685 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.411 0.610 -3.661 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.227 2.876 -7.200 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.515 2.154 -5.255 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.218 3.791 -6.718 1.00 10.00 H new ATOM 495 N ASP A 31 2.862 -3.295 -3.881 1.00 10.00 N ATOM 496 CA ASP A 31 3.707 -4.182 -3.093 1.00 10.00 C ATOM 497 C ASP A 31 4.873 -3.355 -2.579 1.00 10.00 C ATOM 498 O ASP A 31 5.706 -2.927 -3.378 1.00 10.00 O ATOM 499 CB ASP A 31 4.238 -5.321 -3.971 1.00 10.00 C ATOM 500 CG ASP A 31 5.269 -6.186 -3.254 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.010 -6.531 -2.080 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.263 -6.552 -3.911 1.00 10.00 O ATOM 0 H ASP A 31 3.099 -3.280 -4.873 1.00 10.00 H new ATOM 0 HA ASP A 31 3.140 -4.618 -2.270 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.405 -5.946 -4.291 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.686 -4.901 -4.872 1.00 10.00 H new ATOM 507 N LEU A 32 4.914 -3.080 -1.273 1.00 10.00 N ATOM 508 CA LEU A 32 6.046 -2.415 -0.666 1.00 10.00 C ATOM 509 C LEU A 32 6.822 -3.418 0.187 1.00 10.00 C ATOM 510 O LEU A 32 7.711 -4.084 -0.332 1.00 10.00 O ATOM 511 CB LEU A 32 5.631 -1.118 0.038 1.00 10.00 C ATOM 512 CG LEU A 32 4.723 -0.235 -0.842 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.268 -0.450 -0.414 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.156 1.225 -0.722 1.00 10.00 C ATOM 0 H LEU A 32 4.166 -3.314 -0.620 1.00 10.00 H new ATOM 0 HA LEU A 32 6.743 -2.070 -1.430 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.109 -1.361 0.964 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.523 -0.556 0.313 1.00 10.00 H new ATOM 0 HG LEU A 32 4.811 -0.510 -1.893 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.613 0.168 -1.028 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.002 -1.499 -0.543 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.152 -0.172 0.634 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.513 1.847 -1.345 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.075 1.544 0.317 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.190 1.326 -1.053 1.00 10.00 H new ATOM 526 N THR A 33 6.513 -3.534 1.485 1.00 10.00 N ATOM 527 CA THR A 33 7.175 -4.411 2.450 1.00 10.00 C ATOM 528 C THR A 33 8.633 -4.000 2.715 1.00 10.00 C ATOM 529 O THR A 33 8.994 -3.659 3.835 1.00 10.00 O ATOM 530 CB THR A 33 6.941 -5.901 2.110 1.00 10.00 C ATOM 531 OG1 THR A 33 6.204 -6.512 3.153 1.00 10.00 O ATOM 532 CG2 THR A 33 8.194 -6.729 1.835 1.00 10.00 C ATOM 0 H THR A 33 5.759 -2.992 1.907 1.00 10.00 H new ATOM 0 HA THR A 33 6.702 -4.278 3.423 1.00 10.00 H new ATOM 0 HB THR A 33 6.393 -5.889 1.168 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.457 -7.456 3.223 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.909 -7.756 1.608 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.731 -6.306 0.986 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.838 -6.717 2.714 1.00 10.00 H new ATOM 540 N LYS A 34 9.476 -3.958 1.688 1.00 10.00 N ATOM 541 CA LYS A 34 10.871 -3.589 1.799 1.00 10.00 C ATOM 542 C LYS A 34 11.013 -2.067 1.926 1.00 10.00 C ATOM 543 O LYS A 34 12.107 -1.571 2.168 1.00 10.00 O ATOM 544 CB LYS A 34 11.592 -4.182 0.579 1.00 10.00 C ATOM 545 CG LYS A 34 13.114 -4.027 0.648 1.00 10.00 C ATOM 546 CD LYS A 34 13.594 -2.883 -0.257 1.00 10.00 C ATOM 547 CE LYS A 34 15.072 -2.563 0.005 1.00 10.00 C ATOM 548 NZ LYS A 34 15.424 -1.210 -0.470 1.00 10.00 N ATOM 0 H LYS A 34 9.195 -4.186 0.735 1.00 10.00 H new ATOM 0 HA LYS A 34 11.331 -3.991 2.701 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.344 -5.240 0.496 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.224 -3.697 -0.325 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.417 -3.833 1.677 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.592 -4.959 0.346 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.457 -3.159 -1.303 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.988 -1.994 -0.080 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.279 -2.640 1.072 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.700 -3.300 -0.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.423 -1.192 -0.757 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.825 -0.961 -1.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.271 -0.523 0.295 1.00 10.00 H new ATOM 562 N PHE A 35 9.910 -1.330 1.743 1.00 10.00 N ATOM 563 CA PHE A 35 9.870 0.116 1.877 1.00 10.00 C ATOM 564 C PHE A 35 9.200 0.515 3.191 1.00 10.00 C ATOM 565 O PHE A 35 8.926 1.691 3.377 1.00 10.00 O ATOM 566 CB PHE A 35 9.092 0.705 0.695 1.00 10.00 C ATOM 567 CG PHE A 35 9.418 2.150 0.349 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.720 2.500 -0.058 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.429 3.150 0.445 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.039 3.841 -0.333 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.748 4.491 0.166 1.00 10.00 C ATOM 572 CZ PHE A 35 10.056 4.838 -0.214 1.00 10.00 C ATOM 0 H PHE A 35 9.009 -1.737 1.493 1.00 10.00 H new ATOM 0 HA PHE A 35 10.889 0.504 1.881 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.280 0.088 -0.184 1.00 10.00 H new ATOM 0 HB3 PHE A 35 8.026 0.634 0.913 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.476 1.735 -0.159 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.423 2.885 0.734 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.041 4.106 -0.636 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.988 5.254 0.244 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.305 5.870 -0.414 1.00 10.00 H new ATOM 582 N LEU A 36 8.871 -0.422 4.086 1.00 10.00 N ATOM 583 CA LEU A 36 8.243 -0.074 5.356 1.00 10.00 C ATOM 584 C LEU A 36 9.110 0.914 6.135 1.00 10.00 C ATOM 585 O LEU A 36 8.693 2.038 6.388 1.00 10.00 O ATOM 586 CB LEU A 36 7.976 -1.338 6.181 1.00 10.00 C ATOM 587 CG LEU A 36 6.905 -2.239 5.552 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.913 -3.608 6.241 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.514 -1.631 5.675 1.00 10.00 C ATOM 0 H LEU A 36 9.030 -1.421 3.952 1.00 10.00 H new ATOM 0 HA LEU A 36 7.288 0.409 5.150 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.903 -1.901 6.286 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.661 -1.052 7.185 1.00 10.00 H new ATOM 0 HG LEU A 36 7.142 -2.344 4.493 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.151 -4.246 5.792 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.892 -4.071 6.119 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.701 -3.482 7.303 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.783 -2.298 5.218 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.270 -1.492 6.728 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.492 -0.667 5.167 1.00 10.00 H new ATOM 601 N GLU A 37 10.326 0.516 6.497 1.00 10.00 N ATOM 602 CA GLU A 37 11.248 1.382 7.214 1.00 10.00 C ATOM 603 C GLU A 37 11.599 2.627 6.389 1.00 10.00 C ATOM 604 O GLU A 37 11.776 3.712 6.941 1.00 10.00 O ATOM 605 CB GLU A 37 12.496 0.599 7.654 1.00 10.00 C ATOM 606 CG GLU A 37 13.209 -0.193 6.542 1.00 10.00 C ATOM 607 CD GLU A 37 12.668 -1.609 6.374 1.00 10.00 C ATOM 608 OE1 GLU A 37 11.586 -1.729 5.758 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.335 -2.536 6.880 1.00 10.00 O ATOM 0 H GLU A 37 10.697 -0.414 6.301 1.00 10.00 H new ATOM 0 HA GLU A 37 10.755 1.738 8.118 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.208 1.300 8.090 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.208 -0.096 8.443 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.105 0.343 5.599 1.00 10.00 H new ATOM 0 HG3 GLU A 37 14.275 -0.242 6.765 1.00 10.00 H new ATOM 616 N GLU A 38 11.711 2.467 5.069 1.00 10.00 N ATOM 617 CA GLU A 38 12.080 3.537 4.157 1.00 10.00 C ATOM 618 C GLU A 38 10.975 4.600 4.081 1.00 10.00 C ATOM 619 O GLU A 38 11.260 5.791 3.977 1.00 10.00 O ATOM 620 CB GLU A 38 12.374 2.934 2.780 1.00 10.00 C ATOM 621 CG GLU A 38 13.460 1.841 2.812 1.00 10.00 C ATOM 622 CD GLU A 38 14.302 1.817 1.538 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.953 2.845 1.263 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.304 0.770 0.848 1.00 10.00 O ATOM 0 H GLU A 38 11.544 1.575 4.603 1.00 10.00 H new ATOM 0 HA GLU A 38 12.975 4.038 4.525 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.455 2.512 2.372 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.688 3.728 2.103 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.111 2.005 3.671 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.988 0.868 2.950 1.00 10.00 H new ATOM 631 N HIS A 39 9.712 4.168 4.108 1.00 10.00 N ATOM 632 CA HIS A 39 8.539 5.020 4.013 1.00 10.00 C ATOM 633 C HIS A 39 8.537 6.040 5.158 1.00 10.00 C ATOM 634 O HIS A 39 8.395 5.650 6.320 1.00 10.00 O ATOM 635 CB HIS A 39 7.278 4.151 4.049 1.00 10.00 C ATOM 636 CG HIS A 39 6.010 4.930 4.254 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.355 5.064 5.450 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.300 5.614 3.310 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.240 5.777 5.223 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.173 6.159 3.937 1.00 10.00 N ATOM 0 H HIS A 39 9.477 3.180 4.200 1.00 10.00 H new ATOM 0 HA HIS A 39 8.558 5.570 3.072 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.205 3.595 3.114 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.376 3.418 4.849 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.561 5.716 2.267 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.498 6.011 5.972 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.447 6.731 3.504 1.00 10.00 H new ATOM 648 N PRO A 40 8.649 7.346 4.860 1.00 10.00 N ATOM 649 CA PRO A 40 8.744 8.383 5.875 1.00 10.00 C ATOM 650 C PRO A 40 7.372 8.633 6.514 1.00 10.00 C ATOM 651 O PRO A 40 6.754 9.671 6.301 1.00 10.00 O ATOM 652 CB PRO A 40 9.325 9.602 5.148 1.00 10.00 C ATOM 653 CG PRO A 40 8.869 9.419 3.702 1.00 10.00 C ATOM 654 CD PRO A 40 8.766 7.907 3.522 1.00 10.00 C ATOM 0 HA PRO A 40 9.388 8.112 6.712 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.951 10.535 5.570 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.412 9.632 5.223 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.910 9.906 3.524 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.583 9.854 3.003 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.901 7.646 2.913 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.645 7.515 3.011 1.00 10.00 H new ATOM 662 N GLY A 41 6.902 7.667 7.305 1.00 10.00 N ATOM 663 CA GLY A 41 5.601 7.704 7.954 1.00 10.00 C ATOM 664 C GLY A 41 5.480 6.694 9.092 1.00 10.00 C ATOM 665 O GLY A 41 4.769 6.947 10.061 1.00 10.00 O ATOM 0 H GLY A 41 7.431 6.820 7.514 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.422 8.706 8.343 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.825 7.506 7.214 1.00 10.00 H new ATOM 669 N GLY A 42 6.150 5.541 8.989 1.00 10.00 N ATOM 670 CA GLY A 42 6.096 4.501 10.003 1.00 10.00 C ATOM 671 C GLY A 42 6.252 3.148 9.324 1.00 10.00 C ATOM 672 O GLY A 42 6.661 3.101 8.169 1.00 10.00 O ATOM 0 H GLY A 42 6.745 5.309 8.194 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.888 4.648 10.738 1.00 10.00 H new ATOM 0 HA3 GLY A 42 5.149 4.547 10.541 1.00 10.00 H new ATOM 676 N GLU A 43 5.884 2.076 10.030 1.00 10.00 N ATOM 677 CA GLU A 43 5.896 0.696 9.553 1.00 10.00 C ATOM 678 C GLU A 43 4.569 0.061 9.961 1.00 10.00 C ATOM 679 O GLU A 43 3.785 -0.362 9.111 1.00 10.00 O ATOM 680 CB GLU A 43 7.120 -0.029 10.136 1.00 10.00 C ATOM 681 CG GLU A 43 7.130 -1.545 9.875 1.00 10.00 C ATOM 682 CD GLU A 43 6.846 -2.350 11.137 1.00 10.00 C ATOM 683 OE1 GLU A 43 5.653 -2.467 11.485 1.00 10.00 O ATOM 684 OE2 GLU A 43 7.803 -2.846 11.760 1.00 10.00 O ATOM 0 H GLU A 43 5.555 2.153 10.993 1.00 10.00 H new ATOM 0 HA GLU A 43 5.987 0.632 8.469 1.00 10.00 H new ATOM 0 HB2 GLU A 43 8.024 0.408 9.713 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.155 0.145 11.212 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.384 -1.786 9.117 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.100 -1.836 9.472 1.00 10.00 H new ATOM 691 N ALA A 44 4.288 0.076 11.268 1.00 10.00 N ATOM 692 CA ALA A 44 3.073 -0.490 11.827 1.00 10.00 C ATOM 693 C ALA A 44 1.839 0.044 11.105 1.00 10.00 C ATOM 694 O ALA A 44 0.930 -0.717 10.789 1.00 10.00 O ATOM 695 CB ALA A 44 3.003 -0.214 13.330 1.00 10.00 C ATOM 0 H ALA A 44 4.907 0.486 11.967 1.00 10.00 H new ATOM 0 HA ALA A 44 3.094 -1.570 11.681 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.087 -0.644 13.737 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.865 -0.664 13.823 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.007 0.862 13.503 1.00 10.00 H new ATOM 701 N VAL A 45 1.807 1.347 10.815 1.00 10.00 N ATOM 702 CA VAL A 45 0.693 1.917 10.077 1.00 10.00 C ATOM 703 C VAL A 45 0.580 1.268 8.691 1.00 10.00 C ATOM 704 O VAL A 45 -0.511 0.818 8.333 1.00 10.00 O ATOM 705 CB VAL A 45 0.751 3.456 10.072 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.711 4.027 9.023 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.659 4.025 9.874 1.00 10.00 C ATOM 0 H VAL A 45 2.532 2.014 11.079 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.241 1.682 10.586 1.00 10.00 H new ATOM 0 HB VAL A 45 1.146 3.761 11.041 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.702 5.116 9.076 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.720 3.663 9.217 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.395 3.709 8.029 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.615 5.114 9.871 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.062 3.676 8.924 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.304 3.690 10.687 1.00 10.00 H new ATOM 717 N LEU A 46 1.679 1.163 7.919 1.00 10.00 N ATOM 718 CA LEU A 46 1.573 0.494 6.628 1.00 10.00 C ATOM 719 C LEU A 46 1.108 -0.954 6.782 1.00 10.00 C ATOM 720 O LEU A 46 0.248 -1.406 6.030 1.00 10.00 O ATOM 721 CB LEU A 46 2.895 0.561 5.861 1.00 10.00 C ATOM 722 CG LEU A 46 3.265 2.015 5.535 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.180 2.593 6.623 1.00 10.00 C ATOM 724 CD2 LEU A 46 3.936 2.124 4.158 1.00 10.00 C ATOM 0 H LEU A 46 2.605 1.517 8.159 1.00 10.00 H new ATOM 0 HA LEU A 46 0.817 1.025 6.049 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.688 0.104 6.453 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.815 -0.014 4.938 1.00 10.00 H new ATOM 0 HG LEU A 46 2.343 2.596 5.506 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.432 3.624 6.376 1.00 10.00 H new ATOM 0 HD12 LEU A 46 3.665 2.565 7.584 1.00 10.00 H new ATOM 0 HD13 LEU A 46 5.093 2.000 6.683 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.186 3.166 3.956 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.846 1.524 4.148 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.253 1.760 3.391 1.00 10.00 H new ATOM 736 N ARG A 47 1.666 -1.687 7.747 1.00 10.00 N ATOM 737 CA ARG A 47 1.411 -3.117 7.858 1.00 10.00 C ATOM 738 C ARG A 47 -0.026 -3.363 8.310 1.00 10.00 C ATOM 739 O ARG A 47 -0.666 -4.318 7.890 1.00 10.00 O ATOM 740 CB ARG A 47 2.445 -3.784 8.773 1.00 10.00 C ATOM 741 CG ARG A 47 1.984 -3.949 10.226 1.00 10.00 C ATOM 742 CD ARG A 47 3.115 -4.472 11.107 1.00 10.00 C ATOM 743 NE ARG A 47 2.815 -4.229 12.527 1.00 10.00 N ATOM 744 CZ ARG A 47 3.713 -4.237 13.528 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.022 -4.260 13.272 1.00 10.00 N ATOM 746 NH2 ARG A 47 3.282 -4.226 14.795 1.00 10.00 N ATOM 0 H ARG A 47 2.294 -1.313 8.458 1.00 10.00 H new ATOM 0 HA ARG A 47 1.522 -3.580 6.877 1.00 10.00 H new ATOM 0 HB2 ARG A 47 2.692 -4.765 8.368 1.00 10.00 H new ATOM 0 HB3 ARG A 47 3.361 -3.193 8.759 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.633 -2.991 10.610 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.140 -4.637 10.267 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.254 -5.540 10.936 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.051 -3.982 10.838 1.00 10.00 H new ATOM 0 HE ARG A 47 1.844 -4.038 12.773 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.353 -4.272 12.307 1.00 10.00 H new ATOM 0 HH12 ARG A 47 5.692 -4.266 14.041 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.282 -4.212 14.993 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.954 -4.232 15.562 1.00 10.00 H new ATOM 760 N ALA A 48 -0.524 -2.507 9.200 1.00 10.00 N ATOM 761 CA ALA A 48 -1.848 -2.643 9.768 1.00 10.00 C ATOM 762 C ALA A 48 -2.902 -2.425 8.688 1.00 10.00 C ATOM 763 O ALA A 48 -3.832 -3.215 8.553 1.00 10.00 O ATOM 764 CB ALA A 48 -1.994 -1.632 10.902 1.00 10.00 C ATOM 0 H ALA A 48 -0.010 -1.696 9.545 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.991 -3.647 10.167 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.987 -1.720 11.342 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.240 -1.829 11.664 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.859 -0.624 10.510 1.00 10.00 H new ATOM 770 N GLN A 49 -2.735 -1.357 7.904 1.00 10.00 N ATOM 771 CA GLN A 49 -3.607 -1.063 6.783 1.00 10.00 C ATOM 772 C GLN A 49 -3.331 -1.989 5.591 1.00 10.00 C ATOM 773 O GLN A 49 -4.098 -1.990 4.628 1.00 10.00 O ATOM 774 CB GLN A 49 -3.427 0.416 6.435 1.00 10.00 C ATOM 775 CG GLN A 49 -4.381 1.308 7.246 1.00 10.00 C ATOM 776 CD GLN A 49 -4.220 1.237 8.766 1.00 10.00 C ATOM 777 OE1 GLN A 49 -4.611 0.266 9.403 1.00 10.00 O ATOM 778 NE2 GLN A 49 -3.698 2.291 9.386 1.00 10.00 N ATOM 0 H GLN A 49 -1.988 -0.676 8.036 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.647 -1.249 7.051 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.396 0.713 6.629 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.606 0.564 5.370 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.239 2.342 6.931 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.406 1.036 6.994 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.376 3.093 8.845 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -3.619 2.297 10.403 1.00 10.00 H new ATOM 787 N ALA A 50 -2.247 -2.770 5.638 1.00 10.00 N ATOM 788 CA ALA A 50 -1.967 -3.772 4.624 1.00 10.00 C ATOM 789 C ALA A 50 -3.112 -4.773 4.471 1.00 10.00 C ATOM 790 O ALA A 50 -3.918 -4.975 5.377 1.00 10.00 O ATOM 791 CB ALA A 50 -0.670 -4.526 4.908 1.00 10.00 C ATOM 0 H ALA A 50 -1.547 -2.720 6.378 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.857 -3.224 3.688 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.500 -5.265 4.125 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.162 -3.823 4.930 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.745 -5.029 5.872 1.00 10.00 H new ATOM 797 N GLY A 51 -3.150 -5.430 3.314 1.00 10.00 N ATOM 798 CA GLY A 51 -4.151 -6.408 2.962 1.00 10.00 C ATOM 799 C GLY A 51 -5.550 -5.828 3.100 1.00 10.00 C ATOM 800 O GLY A 51 -6.414 -6.432 3.728 1.00 10.00 O ATOM 0 H GLY A 51 -2.458 -5.284 2.579 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.992 -6.744 1.937 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.051 -7.283 3.604 1.00 10.00 H new ATOM 804 N GLY A 52 -5.792 -4.665 2.498 1.00 10.00 N ATOM 805 CA GLY A 52 -7.101 -4.050 2.520 1.00 10.00 C ATOM 806 C GLY A 52 -7.116 -2.835 1.605 1.00 10.00 C ATOM 807 O GLY A 52 -6.074 -2.426 1.079 1.00 10.00 O ATOM 0 H GLY A 52 -5.087 -4.133 1.988 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.855 -4.768 2.198 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.356 -3.753 3.537 1.00 10.00 H new ATOM 811 N ASP A 53 -8.305 -2.252 1.442 1.00 10.00 N ATOM 812 CA ASP A 53 -8.416 -0.887 0.972 1.00 10.00 C ATOM 813 C ASP A 53 -7.823 0.015 2.045 1.00 10.00 C ATOM 814 O ASP A 53 -8.303 0.023 3.178 1.00 10.00 O ATOM 815 CB ASP A 53 -9.872 -0.511 0.679 1.00 10.00 C ATOM 816 CG ASP A 53 -9.984 0.976 0.363 1.00 10.00 C ATOM 817 OD1 ASP A 53 -8.976 1.533 -0.127 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.057 1.551 0.631 1.00 10.00 O ATOM 0 H ASP A 53 -9.197 -2.709 1.630 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.874 -0.770 0.034 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.243 -1.097 -0.162 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.497 -0.755 1.538 1.00 10.00 H new ATOM 823 N ALA A 54 -6.772 0.749 1.688 1.00 10.00 N ATOM 824 CA ALA A 54 -6.209 1.784 2.533 1.00 10.00 C ATOM 825 C ALA A 54 -6.239 3.113 1.793 1.00 10.00 C ATOM 826 O ALA A 54 -5.511 4.032 2.165 1.00 10.00 O ATOM 827 CB ALA A 54 -4.798 1.379 2.952 1.00 10.00 C ATOM 0 H ALA A 54 -6.288 0.637 0.797 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.799 1.905 3.441 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.371 2.154 3.588 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.838 0.439 3.503 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.177 1.254 2.065 1.00 10.00 H new ATOM 833 N THR A 55 -7.077 3.239 0.758 1.00 10.00 N ATOM 834 CA THR A 55 -7.203 4.468 0.000 1.00 10.00 C ATOM 835 C THR A 55 -7.580 5.592 0.955 1.00 10.00 C ATOM 836 O THR A 55 -6.941 6.639 0.956 1.00 10.00 O ATOM 837 CB THR A 55 -8.239 4.308 -1.123 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.963 3.155 -1.889 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.166 5.514 -2.056 1.00 10.00 C ATOM 0 H THR A 55 -7.682 2.486 0.430 1.00 10.00 H new ATOM 0 HA THR A 55 -6.253 4.711 -0.477 1.00 10.00 H new ATOM 0 HB THR A 55 -9.226 4.225 -0.668 1.00 10.00 H new ATOM 0 HG1 THR A 55 -8.507 2.408 -1.563 1.00 10.00 H new ATOM 0 HG21 THR A 55 -8.901 5.402 -2.854 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.377 6.423 -1.493 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.168 5.579 -2.489 1.00 10.00 H new ATOM 847 N ALA A 56 -8.587 5.345 1.796 1.00 10.00 N ATOM 848 CA ALA A 56 -9.062 6.305 2.777 1.00 10.00 C ATOM 849 C ALA A 56 -7.942 6.727 3.732 1.00 10.00 C ATOM 850 O ALA A 56 -7.823 7.897 4.070 1.00 10.00 O ATOM 851 CB ALA A 56 -10.250 5.709 3.535 1.00 10.00 C ATOM 0 H ALA A 56 -9.096 4.461 1.810 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.390 7.207 2.261 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.609 6.427 4.272 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.051 5.479 2.833 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -9.938 4.795 4.041 1.00 10.00 H new ATOM 857 N ASN A 57 -7.102 5.788 4.174 1.00 10.00 N ATOM 858 CA ASN A 57 -6.004 6.099 5.083 1.00 10.00 C ATOM 859 C ASN A 57 -4.955 6.939 4.356 1.00 10.00 C ATOM 860 O ASN A 57 -4.541 7.992 4.842 1.00 10.00 O ATOM 861 CB ASN A 57 -5.393 4.808 5.635 1.00 10.00 C ATOM 862 CG ASN A 57 -6.428 3.963 6.366 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.985 3.036 5.791 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.694 4.262 7.634 1.00 10.00 N ATOM 0 H ASN A 57 -7.165 4.804 3.914 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.384 6.677 5.925 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -4.963 4.230 4.817 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.577 5.053 6.315 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.378 3.713 8.155 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -6.214 5.040 8.086 1.00 10.00 H new ATOM 871 N PHE A 58 -4.537 6.461 3.179 1.00 10.00 N ATOM 872 CA PHE A 58 -3.612 7.171 2.304 1.00 10.00 C ATOM 873 C PHE A 58 -4.070 8.614 2.096 1.00 10.00 C ATOM 874 O PHE A 58 -3.296 9.536 2.320 1.00 10.00 O ATOM 875 CB PHE A 58 -3.483 6.427 0.967 1.00 10.00 C ATOM 876 CG PHE A 58 -2.559 7.067 -0.062 1.00 10.00 C ATOM 877 CD1 PHE A 58 -3.015 8.138 -0.855 1.00 10.00 C ATOM 878 CD2 PHE A 58 -1.307 6.490 -0.344 1.00 10.00 C ATOM 879 CE1 PHE A 58 -2.201 8.667 -1.872 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.532 6.959 -1.420 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.958 8.075 -2.158 1.00 10.00 C ATOM 0 H PHE A 58 -4.838 5.560 2.808 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.629 7.203 2.774 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.127 5.416 1.168 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.476 6.334 0.527 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -3.996 8.555 -0.681 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -0.939 5.681 0.270 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.531 9.528 -2.434 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.391 6.461 -1.679 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.334 8.477 -2.942 1.00 10.00 H new ATOM 891 N GLU A 59 -5.311 8.819 1.643 1.00 10.00 N ATOM 892 CA GLU A 59 -5.811 10.149 1.332 1.00 10.00 C ATOM 893 C GLU A 59 -6.004 10.981 2.604 1.00 10.00 C ATOM 894 O GLU A 59 -5.588 12.141 2.639 1.00 10.00 O ATOM 895 CB GLU A 59 -7.023 10.071 0.393 1.00 10.00 C ATOM 896 CG GLU A 59 -8.274 9.430 1.001 1.00 10.00 C ATOM 897 CD GLU A 59 -9.303 10.440 1.493 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.874 11.527 1.933 1.00 10.00 O ATOM 899 OE2 GLU A 59 -10.502 10.104 1.401 1.00 10.00 O ATOM 0 H GLU A 59 -5.986 8.071 1.485 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.062 10.702 0.765 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.274 11.079 0.064 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.739 9.507 -0.495 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.739 8.784 0.256 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.977 8.793 1.834 1.00 10.00 H new ATOM 906 N ALA A 60 -6.539 10.369 3.669 1.00 10.00 N ATOM 907 CA ALA A 60 -6.691 11.009 4.970 1.00 10.00 C ATOM 908 C ALA A 60 -5.381 11.656 5.409 1.00 10.00 C ATOM 909 O ALA A 60 -5.387 12.797 5.865 1.00 10.00 O ATOM 910 CB ALA A 60 -7.174 10.009 6.025 1.00 10.00 C ATOM 0 H ALA A 60 -6.879 9.408 3.645 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.447 11.788 4.872 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.278 10.515 6.985 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.138 9.600 5.724 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.450 9.200 6.118 1.00 10.00 H new ATOM 916 N VAL A 61 -4.260 10.940 5.256 1.00 10.00 N ATOM 917 CA VAL A 61 -2.935 11.504 5.490 1.00 10.00 C ATOM 918 C VAL A 61 -2.210 11.664 4.148 1.00 10.00 C ATOM 919 O VAL A 61 -1.088 11.195 3.960 1.00 10.00 O ATOM 920 CB VAL A 61 -2.175 10.681 6.546 1.00 10.00 C ATOM 921 CG1 VAL A 61 -1.012 11.515 7.097 1.00 10.00 C ATOM 922 CG2 VAL A 61 -3.086 10.313 7.729 1.00 10.00 C ATOM 0 H VAL A 61 -4.251 9.961 4.969 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.006 12.504 5.918 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.819 9.770 6.065 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -0.471 10.936 7.845 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.336 11.778 6.284 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -1.401 12.425 7.554 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -2.520 9.732 8.457 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -3.456 11.224 8.200 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.928 9.722 7.369 1.00 10.00 H new ATOM 932 N GLY A 62 -2.877 12.341 3.206 1.00 10.00 N ATOM 933 CA GLY A 62 -2.365 12.597 1.873 1.00 10.00 C ATOM 934 C GLY A 62 -1.018 13.310 1.908 1.00 10.00 C ATOM 935 O GLY A 62 -0.779 14.177 2.745 1.00 10.00 O ATOM 0 H GLY A 62 -3.807 12.731 3.362 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.263 11.654 1.336 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -3.082 13.203 1.319 1.00 10.00 H new ATOM 939 N HIS A 63 -0.143 12.920 0.980 1.00 10.00 N ATOM 940 CA HIS A 63 1.281 13.182 1.069 1.00 10.00 C ATOM 941 C HIS A 63 1.685 14.322 0.122 1.00 10.00 C ATOM 942 O HIS A 63 1.697 15.480 0.526 1.00 10.00 O ATOM 943 CB HIS A 63 2.004 11.861 0.794 1.00 10.00 C ATOM 944 CG HIS A 63 1.311 10.629 1.323 1.00 10.00 C ATOM 945 ND1 HIS A 63 1.707 10.033 2.483 1.00 10.00 N flip ATOM 946 CD2 HIS A 63 0.782 9.640 0.521 1.00 10.00 C flip ATOM 947 CE1 HIS A 63 1.627 8.652 2.301 1.00 10.00 C flip ATOM 948 NE2 HIS A 63 0.999 8.468 1.134 1.00 10.00 N flip ATOM 0 H HIS A 63 -0.413 12.409 0.140 1.00 10.00 H new ATOM 0 HA HIS A 63 1.566 13.531 2.062 1.00 10.00 H new ATOM 0 HB2 HIS A 63 2.132 11.752 -0.283 1.00 10.00 H new ATOM 0 HB3 HIS A 63 3.002 11.913 1.230 1.00 10.00 H new ATOM 0 HD2 HIS A 63 0.284 9.783 -0.427 1.00 10.00 H new ATOM 0 HE1 HIS A 63 1.997 7.887 2.967 1.00 10.00 H new ATOM 0 HE2 HIS A 63 0.723 7.559 0.762 1.00 10.00 H new ATOM 956 N SER A 64 1.986 14.020 -1.149 1.00 10.00 N ATOM 957 CA SER A 64 2.266 14.997 -2.189 1.00 10.00 C ATOM 958 C SER A 64 2.300 14.276 -3.540 1.00 10.00 C ATOM 959 O SER A 64 2.028 13.074 -3.620 1.00 10.00 O ATOM 960 CB SER A 64 3.582 15.749 -1.923 1.00 10.00 C ATOM 961 OG SER A 64 3.654 16.868 -2.788 1.00 10.00 O ATOM 0 H SER A 64 2.041 13.058 -1.483 1.00 10.00 H new ATOM 0 HA SER A 64 1.478 15.750 -2.196 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.628 16.073 -0.883 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.433 15.089 -2.089 1.00 10.00 H new ATOM 0 HG SER A 64 4.489 17.355 -2.625 1.00 10.00 H new ATOM 967 N THR A 65 2.655 15.017 -4.587 1.00 10.00 N ATOM 968 CA THR A 65 2.822 14.548 -5.954 1.00 10.00 C ATOM 969 C THR A 65 3.891 13.462 -5.999 1.00 10.00 C ATOM 970 O THR A 65 3.656 12.365 -6.498 1.00 10.00 O ATOM 971 CB THR A 65 3.222 15.755 -6.811 1.00 10.00 C ATOM 972 OG1 THR A 65 4.293 16.423 -6.168 1.00 10.00 O ATOM 973 CG2 THR A 65 2.056 16.739 -6.940 1.00 10.00 C ATOM 0 H THR A 65 2.843 16.015 -4.496 1.00 10.00 H new ATOM 0 HA THR A 65 1.898 14.115 -6.337 1.00 10.00 H new ATOM 0 HB THR A 65 3.507 15.405 -7.803 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.564 17.198 -6.703 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.362 17.588 -7.552 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.209 16.240 -7.410 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.766 17.091 -5.950 1.00 10.00 H new ATOM 981 N ASP A 66 5.053 13.777 -5.429 1.00 10.00 N ATOM 982 CA ASP A 66 6.189 12.876 -5.316 1.00 10.00 C ATOM 983 C ASP A 66 5.736 11.490 -4.857 1.00 10.00 C ATOM 984 O ASP A 66 6.049 10.487 -5.483 1.00 10.00 O ATOM 985 CB ASP A 66 7.211 13.476 -4.341 1.00 10.00 C ATOM 986 CG ASP A 66 8.627 13.201 -4.814 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.064 12.045 -4.637 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.235 14.153 -5.348 1.00 10.00 O ATOM 0 H ASP A 66 5.231 14.695 -5.022 1.00 10.00 H new ATOM 0 HA ASP A 66 6.658 12.758 -6.293 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.053 14.551 -4.256 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.065 13.053 -3.347 1.00 10.00 H new ATOM 993 N ALA A 67 4.921 11.437 -3.800 1.00 10.00 N ATOM 994 CA ALA A 67 4.376 10.191 -3.278 1.00 10.00 C ATOM 995 C ALA A 67 3.432 9.525 -4.285 1.00 10.00 C ATOM 996 O ALA A 67 3.502 8.312 -4.464 1.00 10.00 O ATOM 997 CB ALA A 67 3.617 10.454 -1.982 1.00 10.00 C ATOM 0 H ALA A 67 4.622 12.264 -3.283 1.00 10.00 H new ATOM 0 HA ALA A 67 5.214 9.519 -3.091 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.214 9.516 -1.600 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.294 10.885 -1.245 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.800 11.149 -2.174 1.00 10.00 H new ATOM 1003 N ARG A 68 2.533 10.300 -4.911 1.00 10.00 N ATOM 1004 CA ARG A 68 1.627 9.807 -5.955 1.00 10.00 C ATOM 1005 C ARG A 68 2.425 9.110 -7.073 1.00 10.00 C ATOM 1006 O ARG A 68 1.988 8.106 -7.636 1.00 10.00 O ATOM 1007 CB ARG A 68 0.806 10.963 -6.569 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.679 11.006 -6.185 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.891 11.404 -4.720 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.266 11.881 -4.493 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.669 12.577 -3.415 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.825 12.759 -2.394 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.903 13.091 -3.367 1.00 10.00 N ATOM 0 H ARG A 68 2.415 11.292 -4.704 1.00 10.00 H new ATOM 0 HA ARG A 68 0.945 9.094 -5.490 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.265 11.906 -6.274 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.879 10.899 -7.655 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -1.198 11.715 -6.830 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -1.126 10.028 -6.361 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.688 10.549 -4.075 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.182 12.185 -4.446 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.964 11.668 -5.206 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.883 12.371 -2.436 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.124 13.286 -1.573 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.543 12.956 -4.150 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.204 13.618 -2.547 1.00 10.00 H new ATOM 1027 N GLU A 69 3.576 9.686 -7.426 1.00 10.00 N ATOM 1028 CA GLU A 69 4.433 9.175 -8.489 1.00 10.00 C ATOM 1029 C GLU A 69 5.207 7.959 -7.978 1.00 10.00 C ATOM 1030 O GLU A 69 5.272 6.914 -8.621 1.00 10.00 O ATOM 1031 CB GLU A 69 5.345 10.309 -8.972 1.00 10.00 C ATOM 1032 CG GLU A 69 4.682 11.099 -10.111 1.00 10.00 C ATOM 1033 CD GLU A 69 4.899 10.434 -11.467 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.104 9.525 -11.794 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.859 10.849 -12.150 1.00 10.00 O ATOM 0 H GLU A 69 3.939 10.527 -6.977 1.00 10.00 H new ATOM 0 HA GLU A 69 3.847 8.838 -9.344 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.569 10.979 -8.142 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.294 9.897 -9.314 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.613 11.187 -9.917 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.086 12.111 -10.134 1.00 10.00 H new ATOM 1042 N LEU A 70 5.767 8.083 -6.780 1.00 10.00 N ATOM 1043 CA LEU A 70 6.520 7.036 -6.122 1.00 10.00 C ATOM 1044 C LEU A 70 5.666 5.772 -6.042 1.00 10.00 C ATOM 1045 O LEU A 70 6.056 4.712 -6.523 1.00 10.00 O ATOM 1046 CB LEU A 70 7.008 7.567 -4.766 1.00 10.00 C ATOM 1047 CG LEU A 70 7.876 6.660 -3.884 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.528 5.559 -4.693 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.940 7.465 -3.135 1.00 10.00 C ATOM 0 H LEU A 70 5.705 8.940 -6.230 1.00 10.00 H new ATOM 0 HA LEU A 70 7.410 6.754 -6.684 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.571 8.481 -4.953 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.129 7.847 -4.186 1.00 10.00 H new ATOM 0 HG LEU A 70 7.214 6.199 -3.151 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.135 4.936 -4.036 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.758 4.948 -5.163 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.161 6.000 -5.463 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.538 6.793 -2.519 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.586 7.971 -3.853 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.455 8.205 -2.499 1.00 10.00 H new ATOM 1061 N SER A 71 4.473 5.888 -5.471 1.00 10.00 N ATOM 1062 CA SER A 71 3.505 4.805 -5.449 1.00 10.00 C ATOM 1063 C SER A 71 3.430 4.111 -6.813 1.00 10.00 C ATOM 1064 O SER A 71 3.617 2.901 -6.860 1.00 10.00 O ATOM 1065 CB SER A 71 2.149 5.252 -4.878 1.00 10.00 C ATOM 1066 OG SER A 71 1.464 6.177 -5.692 1.00 10.00 O ATOM 0 H SER A 71 4.152 6.739 -5.010 1.00 10.00 H new ATOM 0 HA SER A 71 3.851 4.043 -4.751 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.519 4.374 -4.733 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.308 5.696 -3.895 1.00 10.00 H new ATOM 0 HG SER A 71 2.107 6.654 -6.258 1.00 10.00 H new ATOM 1072 N LYS A 72 3.243 4.836 -7.925 1.00 10.00 N ATOM 1073 CA LYS A 72 3.261 4.200 -9.245 1.00 10.00 C ATOM 1074 C LYS A 72 4.511 3.331 -9.475 1.00 10.00 C ATOM 1075 O LYS A 72 4.402 2.233 -10.013 1.00 10.00 O ATOM 1076 CB LYS A 72 3.115 5.210 -10.391 1.00 10.00 C ATOM 1077 CG LYS A 72 1.695 5.770 -10.542 1.00 10.00 C ATOM 1078 CD LYS A 72 1.375 5.825 -12.043 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.033 6.360 -12.323 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.426 6.119 -13.727 1.00 10.00 N ATOM 0 H LYS A 72 3.081 5.843 -7.936 1.00 10.00 H new ATOM 0 HA LYS A 72 2.389 3.546 -9.251 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.806 6.036 -10.225 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.408 4.731 -11.325 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.977 5.138 -10.020 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.626 6.764 -10.099 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.107 6.458 -12.544 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.472 4.826 -12.469 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.747 5.879 -11.655 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.068 7.429 -12.111 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.384 6.491 -13.888 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.244 6.599 -14.362 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.415 5.097 -13.920 1.00 10.00 H new ATOM 1094 N THR A 73 5.690 3.779 -9.049 1.00 10.00 N ATOM 1095 CA THR A 73 6.914 2.982 -9.123 1.00 10.00 C ATOM 1096 C THR A 73 6.798 1.670 -8.331 1.00 10.00 C ATOM 1097 O THR A 73 7.394 0.666 -8.716 1.00 10.00 O ATOM 1098 CB THR A 73 8.139 3.849 -8.759 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.574 4.522 -9.924 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.316 3.072 -8.160 1.00 10.00 C ATOM 0 H THR A 73 5.824 4.705 -8.643 1.00 10.00 H new ATOM 0 HA THR A 73 7.067 2.658 -10.152 1.00 10.00 H new ATOM 0 HB THR A 73 7.810 4.538 -7.981 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.351 5.079 -9.709 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.130 3.761 -7.936 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.996 2.577 -7.243 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.660 2.324 -8.875 1.00 10.00 H new ATOM 1108 N PHE A 74 6.009 1.656 -7.255 1.00 10.00 N ATOM 1109 CA PHE A 74 5.693 0.448 -6.491 1.00 10.00 C ATOM 1110 C PHE A 74 4.421 -0.250 -6.983 1.00 10.00 C ATOM 1111 O PHE A 74 3.985 -1.216 -6.355 1.00 10.00 O ATOM 1112 CB PHE A 74 5.546 0.778 -4.998 1.00 10.00 C ATOM 1113 CG PHE A 74 6.839 1.144 -4.305 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.867 0.188 -4.214 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.986 2.394 -3.677 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.079 0.515 -3.588 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.179 2.697 -2.999 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.242 1.779 -3.001 1.00 10.00 C ATOM 0 H PHE A 74 5.565 2.496 -6.884 1.00 10.00 H new ATOM 0 HA PHE A 74 6.526 -0.238 -6.642 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.844 1.605 -4.889 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.108 -0.081 -4.491 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.723 -0.800 -4.627 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.185 3.118 -3.716 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.884 -0.204 -3.558 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.279 3.637 -2.476 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.186 2.046 -2.550 1.00 10.00 H new ATOM 1128 N ILE A 75 3.786 0.223 -8.060 1.00 10.00 N ATOM 1129 CA ILE A 75 2.570 -0.419 -8.538 1.00 10.00 C ATOM 1130 C ILE A 75 2.907 -1.833 -9.011 1.00 10.00 C ATOM 1131 O ILE A 75 3.862 -2.018 -9.763 1.00 10.00 O ATOM 1132 CB ILE A 75 1.875 0.429 -9.615 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.362 0.396 -9.389 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.247 0.057 -11.058 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.369 1.247 -10.417 1.00 10.00 C ATOM 0 H ILE A 75 4.090 1.031 -8.603 1.00 10.00 H new ATOM 0 HA ILE A 75 1.850 -0.500 -7.724 1.00 10.00 H new ATOM 0 HB ILE A 75 2.243 1.449 -9.501 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.006 -0.633 -9.446 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.134 0.757 -8.386 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.711 0.706 -11.751 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.320 0.182 -11.201 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.974 -0.981 -11.248 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.442 1.203 -10.229 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.030 2.280 -10.342 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.160 0.869 -11.418 1.00 10.00 H new ATOM 1147 N ILE A 76 2.127 -2.828 -8.589 1.00 10.00 N ATOM 1148 CA ILE A 76 2.244 -4.183 -9.124 1.00 10.00 C ATOM 1149 C ILE A 76 1.123 -4.474 -10.121 1.00 10.00 C ATOM 1150 O ILE A 76 1.224 -5.411 -10.910 1.00 10.00 O ATOM 1151 CB ILE A 76 2.319 -5.209 -7.984 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.281 -4.908 -6.892 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.746 -5.187 -7.419 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.077 -6.074 -5.928 1.00 10.00 C ATOM 0 H ILE A 76 1.406 -2.720 -7.876 1.00 10.00 H new ATOM 0 HA ILE A 76 3.177 -4.267 -9.681 1.00 10.00 H new ATOM 0 HB ILE A 76 2.087 -6.203 -8.365 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.597 -4.029 -6.330 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.329 -4.660 -7.361 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.827 -5.908 -6.606 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.453 -5.447 -8.207 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.973 -4.189 -7.043 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.333 -5.801 -5.180 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.732 -6.948 -6.481 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.020 -6.307 -5.434 1.00 10.00 H new ATOM 1166 N GLY A 77 0.062 -3.666 -10.110 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.078 -3.842 -10.981 1.00 10.00 C ATOM 1168 C GLY A 77 -2.266 -3.133 -10.369 1.00 10.00 C ATOM 1169 O GLY A 77 -2.110 -2.159 -9.627 1.00 10.00 O ATOM 0 H GLY A 77 -0.021 -2.864 -9.485 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.864 -3.437 -11.970 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.295 -4.902 -11.110 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.451 -3.651 -10.670 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.704 -3.038 -10.306 1.00 10.00 C ATOM 1175 C GLU A 78 -5.596 -4.010 -9.547 1.00 10.00 C ATOM 1176 O GLU A 78 -5.368 -5.219 -9.492 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.399 -2.473 -11.556 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.014 -1.015 -11.854 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.200 -0.136 -12.258 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.229 -0.700 -12.702 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.046 1.097 -12.106 1.00 10.00 O ATOM 0 H GLU A 78 -3.560 -4.525 -11.184 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.503 -2.207 -9.630 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.145 -3.092 -12.416 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.479 -2.537 -11.424 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.539 -0.586 -10.971 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.273 -1.000 -12.653 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.625 -3.435 -8.942 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.698 -4.172 -8.322 1.00 10.00 C ATOM 1190 C LEU A 79 -8.403 -5.021 -9.385 1.00 10.00 C ATOM 1191 O LEU A 79 -8.690 -4.536 -10.478 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.647 -3.131 -7.741 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.831 -3.772 -7.021 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.406 -4.344 -5.665 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.910 -2.707 -6.890 1.00 10.00 C ATOM 0 H LEU A 79 -6.732 -2.423 -8.871 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.342 -4.845 -7.542 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.102 -2.493 -7.045 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.014 -2.489 -8.542 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.221 -4.618 -7.587 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.268 -4.794 -5.174 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.637 -5.102 -5.815 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.010 -3.543 -5.040 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.776 -3.127 -6.379 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.523 -1.865 -6.316 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.205 -2.364 -7.882 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.705 -6.280 -9.080 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.438 -7.159 -9.988 1.00 10.00 C ATOM 1209 C HIS A 80 -10.799 -6.566 -10.379 1.00 10.00 C ATOM 1210 O HIS A 80 -11.485 -5.980 -9.543 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.592 -8.539 -9.342 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.704 -9.677 -10.319 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.845 -10.377 -10.622 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.666 -10.281 -10.976 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.511 -11.355 -11.478 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.192 -11.332 -11.731 1.00 10.00 N ATOM 0 H HIS A 80 -8.449 -6.720 -8.196 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.869 -7.261 -10.912 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.736 -8.719 -8.691 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.479 -8.532 -8.708 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.626 -9.996 -10.921 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.206 -12.063 -11.904 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.677 -11.957 -12.351 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.232 -6.723 -11.639 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.548 -6.281 -12.075 1.00 10.00 C ATOM 1226 C PRO A 81 -13.696 -7.059 -11.418 1.00 10.00 C ATOM 1227 O PRO A 81 -14.840 -6.640 -11.545 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.546 -6.417 -13.600 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.501 -7.500 -13.862 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.485 -7.294 -12.747 1.00 10.00 C ATOM 0 HA PRO A 81 -12.728 -5.251 -11.768 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.527 -6.706 -13.978 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.281 -5.478 -14.086 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.939 -8.497 -13.826 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.045 -7.388 -14.846 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.020 -8.237 -12.461 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.684 -6.627 -13.065 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.406 -8.168 -10.726 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.409 -8.932 -9.983 1.00 10.00 C ATOM 1240 C ASP A 82 -14.716 -8.282 -8.625 1.00 10.00 C ATOM 1241 O ASP A 82 -15.804 -8.457 -8.085 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.929 -10.379 -9.809 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.062 -11.314 -9.413 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.863 -11.633 -10.317 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.059 -11.744 -8.241 1.00 10.00 O ATOM 0 H ASP A 82 -12.466 -8.559 -10.667 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.338 -8.934 -10.553 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.481 -10.726 -10.740 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.149 -10.413 -9.048 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.745 -7.545 -8.065 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.886 -6.869 -6.781 1.00 10.00 C ATOM 1252 C ASP A 83 -14.851 -5.685 -6.916 1.00 10.00 C ATOM 1253 O ASP A 83 -15.828 -5.583 -6.174 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.484 -6.436 -6.329 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.447 -5.564 -5.082 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.199 -4.573 -5.006 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.580 -5.872 -4.244 1.00 10.00 O ATOM 0 H ASP A 83 -12.834 -7.405 -8.501 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.312 -7.530 -6.026 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.886 -7.329 -6.147 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.007 -5.895 -7.146 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.529 -4.790 -7.854 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.178 -3.493 -7.990 1.00 10.00 C ATOM 1264 C ARG A 84 -16.612 -3.595 -8.519 1.00 10.00 C ATOM 1265 O ARG A 84 -16.923 -4.607 -9.183 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.323 -2.586 -8.888 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.405 -3.001 -10.363 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.451 -2.203 -11.262 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.077 -2.743 -11.269 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.168 -2.452 -12.221 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.470 -1.572 -13.181 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.964 -3.027 -12.237 1.00 10.00 N ATOM 0 H ARG A 84 -13.799 -4.953 -8.548 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.257 -3.057 -6.994 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.655 -1.553 -8.782 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.285 -2.622 -8.558 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.175 -4.063 -10.450 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.427 -2.867 -10.717 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.839 -2.199 -12.281 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.426 -1.166 -10.926 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.801 -3.370 -10.513 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.386 -1.123 -13.192 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.785 -1.349 -13.903 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.713 -3.705 -11.517 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.295 -2.789 -12.969 1.00 10.00 H new