USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 556 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 49 THR OG1 : rot 27:sc= 0.133 USER MOD Set 1.2: A 54 THR OG1 : rot 44:sc= 0.962 USER MOD Set 2.1: A 9 HIS : no HD1:sc= 0.949 K(o=2.2,f=-2.5) USER MOD Set 2.2: A 74 SER OG : rot -173:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.062 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.923 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.239 (180deg=-0.604) USER MOD Single : A 18 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.58) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.937! C(o=-0.94!,f=-5.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 23 ASN : amide:sc= -2.39! C(o=-2.4!,f=-4.7!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 37:sc= 1.26 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc=-0.00391 X(o=-0.0039,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.2!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.139 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.125 -21.037 9.423 1.00 0.00 N ATOM 2 CA GLY A 1 1.403 -20.867 8.173 1.00 0.00 C ATOM 3 C GLY A 1 2.061 -19.796 7.302 1.00 0.00 C ATOM 4 O GLY A 1 2.706 -18.883 7.815 1.00 0.00 O ATOM 0 H1 GLY A 1 2.702 -21.901 9.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.743 -20.216 9.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.447 -21.116 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.375 -21.814 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.370 -20.588 8.380 1.00 0.00 H new ATOM 8 N SER A 2 1.875 -19.943 5.998 1.00 0.00 N ATOM 9 CA SER A 2 2.442 -19.000 5.049 1.00 0.00 C ATOM 10 C SER A 2 1.894 -19.272 3.647 1.00 0.00 C ATOM 11 O SER A 2 2.214 -20.294 3.041 1.00 0.00 O ATOM 12 CB SER A 2 3.970 -19.073 5.046 1.00 0.00 C ATOM 13 OG SER A 2 4.445 -20.277 4.449 1.00 0.00 O ATOM 0 H SER A 2 1.339 -20.702 5.576 1.00 0.00 H new ATOM 0 HA SER A 2 2.154 -17.994 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.373 -18.217 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.338 -19.006 6.070 1.00 0.00 H new ATOM 0 HG SER A 2 3.810 -20.576 3.765 1.00 0.00 H new ATOM 19 N SER A 3 1.079 -18.342 3.174 1.00 0.00 N ATOM 20 CA SER A 3 0.484 -18.470 1.854 1.00 0.00 C ATOM 21 C SER A 3 1.523 -18.153 0.778 1.00 0.00 C ATOM 22 O SER A 3 1.951 -17.008 0.643 1.00 0.00 O ATOM 23 CB SER A 3 -0.731 -17.552 1.707 1.00 0.00 C ATOM 24 OG SER A 3 -1.576 -17.952 0.631 1.00 0.00 O ATOM 0 H SER A 3 0.816 -17.497 3.680 1.00 0.00 H new ATOM 0 HA SER A 3 0.145 -19.499 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.301 -17.554 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.394 -16.529 1.542 1.00 0.00 H new ATOM 0 HG SER A 3 -2.341 -17.342 0.571 1.00 0.00 H new ATOM 30 N GLY A 4 1.900 -19.188 0.040 1.00 0.00 N ATOM 31 CA GLY A 4 2.881 -19.033 -1.020 1.00 0.00 C ATOM 32 C GLY A 4 4.217 -18.539 -0.462 1.00 0.00 C ATOM 33 O GLY A 4 4.407 -18.490 0.752 1.00 0.00 O ATOM 0 H GLY A 4 1.543 -20.137 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.025 -19.986 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.510 -18.327 -1.763 1.00 0.00 H new ATOM 37 N SER A 5 5.108 -18.184 -1.376 1.00 0.00 N ATOM 38 CA SER A 5 6.422 -17.695 -0.990 1.00 0.00 C ATOM 39 C SER A 5 6.861 -16.575 -1.936 1.00 0.00 C ATOM 40 O SER A 5 6.823 -16.736 -3.155 1.00 0.00 O ATOM 41 CB SER A 5 7.452 -18.826 -0.990 1.00 0.00 C ATOM 42 OG SER A 5 7.513 -19.493 0.267 1.00 0.00 O ATOM 0 H SER A 5 4.947 -18.225 -2.382 1.00 0.00 H new ATOM 0 HA SER A 5 6.357 -17.300 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.201 -19.545 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.434 -18.422 -1.234 1.00 0.00 H new ATOM 0 HG SER A 5 8.181 -20.209 0.225 1.00 0.00 H new ATOM 48 N SER A 6 7.270 -15.466 -1.338 1.00 0.00 N ATOM 49 CA SER A 6 7.717 -14.321 -2.112 1.00 0.00 C ATOM 50 C SER A 6 6.694 -13.993 -3.201 1.00 0.00 C ATOM 51 O SER A 6 6.774 -14.516 -4.311 1.00 0.00 O ATOM 52 CB SER A 6 9.090 -14.578 -2.735 1.00 0.00 C ATOM 53 OG SER A 6 10.152 -14.212 -1.858 1.00 0.00 O ATOM 0 H SER A 6 7.301 -15.336 -0.327 1.00 0.00 H new ATOM 0 HA SER A 6 7.808 -13.469 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.180 -15.634 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.177 -14.015 -3.664 1.00 0.00 H new ATOM 0 HG SER A 6 11.012 -14.393 -2.292 1.00 0.00 H new ATOM 59 N GLY A 7 5.755 -13.129 -2.845 1.00 0.00 N ATOM 60 CA GLY A 7 4.716 -12.725 -3.777 1.00 0.00 C ATOM 61 C GLY A 7 4.520 -11.208 -3.758 1.00 0.00 C ATOM 62 O GLY A 7 3.552 -10.710 -3.186 1.00 0.00 O ATOM 0 H GLY A 7 5.692 -12.697 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.980 -13.048 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.779 -13.219 -3.519 1.00 0.00 H new ATOM 66 N SER A 8 5.456 -10.515 -4.390 1.00 0.00 N ATOM 67 CA SER A 8 5.399 -9.065 -4.453 1.00 0.00 C ATOM 68 C SER A 8 5.400 -8.479 -3.039 1.00 0.00 C ATOM 69 O SER A 8 5.116 -9.184 -2.071 1.00 0.00 O ATOM 70 CB SER A 8 4.162 -8.594 -5.220 1.00 0.00 C ATOM 71 OG SER A 8 4.487 -8.142 -6.531 1.00 0.00 O ATOM 0 H SER A 8 6.258 -10.931 -4.863 1.00 0.00 H new ATOM 0 HA SER A 8 6.281 -8.712 -4.987 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.444 -9.411 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.678 -7.788 -4.668 1.00 0.00 H new ATOM 0 HG SER A 8 3.671 -7.852 -6.989 1.00 0.00 H new ATOM 77 N HIS A 9 5.724 -7.197 -2.964 1.00 0.00 N ATOM 78 CA HIS A 9 5.767 -6.509 -1.685 1.00 0.00 C ATOM 79 C HIS A 9 4.370 -6.500 -1.061 1.00 0.00 C ATOM 80 O HIS A 9 3.392 -6.861 -1.713 1.00 0.00 O ATOM 81 CB HIS A 9 6.355 -5.106 -1.842 1.00 0.00 C ATOM 82 CG HIS A 9 7.590 -5.051 -2.709 1.00 0.00 C ATOM 83 ND1 HIS A 9 8.627 -5.960 -2.595 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.941 -4.188 -3.705 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.556 -5.648 -3.487 1.00 0.00 C ATOM 86 NE2 HIS A 9 9.130 -4.550 -4.173 1.00 0.00 N ATOM 0 H HIS A 9 5.959 -6.616 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 9 6.429 -7.042 -1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.595 -4.450 -2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.599 -4.713 -0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.352 -3.352 -4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.487 -6.172 -3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.640 -4.083 -4.923 1.00 0.00 H new ATOM 94 N GLN A 10 4.321 -6.082 0.196 1.00 0.00 N ATOM 95 CA GLN A 10 3.060 -6.022 0.916 1.00 0.00 C ATOM 96 C GLN A 10 3.190 -5.110 2.138 1.00 0.00 C ATOM 97 O GLN A 10 3.884 -5.447 3.096 1.00 0.00 O ATOM 98 CB GLN A 10 2.592 -7.420 1.321 1.00 0.00 C ATOM 99 CG GLN A 10 1.090 -7.586 1.086 1.00 0.00 C ATOM 100 CD GLN A 10 0.811 -8.129 -0.318 1.00 0.00 C ATOM 101 OE1 GLN A 10 0.938 -9.311 -0.590 1.00 0.00 O ATOM 102 NE2 GLN A 10 0.425 -7.202 -1.190 1.00 0.00 N ATOM 0 H GLN A 10 5.134 -5.782 0.734 1.00 0.00 H new ATOM 0 HA GLN A 10 2.304 -5.602 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.138 -8.170 0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.820 -7.593 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.674 -8.264 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.590 -6.626 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.339 -6.229 -0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.215 -7.464 -2.153 1.00 0.00 H new ATOM 111 N LEU A 11 2.512 -3.975 2.064 1.00 0.00 N ATOM 112 CA LEU A 11 2.542 -3.013 3.153 1.00 0.00 C ATOM 113 C LEU A 11 1.131 -2.846 3.721 1.00 0.00 C ATOM 114 O LEU A 11 0.201 -2.509 2.990 1.00 0.00 O ATOM 115 CB LEU A 11 3.178 -1.701 2.690 1.00 0.00 C ATOM 116 CG LEU A 11 4.174 -1.060 3.659 1.00 0.00 C ATOM 117 CD1 LEU A 11 4.734 0.245 3.087 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.544 -0.857 5.038 1.00 0.00 C ATOM 0 H LEU A 11 1.938 -3.699 1.267 1.00 0.00 H new ATOM 0 HA LEU A 11 3.171 -3.377 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.687 -1.881 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.381 -0.984 2.492 1.00 0.00 H new ATOM 0 HG LEU A 11 5.014 -1.743 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.439 0.680 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.245 0.040 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.917 0.945 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.273 -0.400 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.675 -0.205 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.235 -1.821 5.442 1.00 0.00 H new ATOM 130 N ILE A 12 1.017 -3.088 5.018 1.00 0.00 N ATOM 131 CA ILE A 12 -0.264 -2.969 5.692 1.00 0.00 C ATOM 132 C ILE A 12 -0.433 -1.539 6.207 1.00 0.00 C ATOM 133 O ILE A 12 0.256 -1.125 7.138 1.00 0.00 O ATOM 134 CB ILE A 12 -0.399 -4.036 6.781 1.00 0.00 C ATOM 135 CG1 ILE A 12 -0.457 -5.437 6.171 1.00 0.00 C ATOM 136 CG2 ILE A 12 -1.603 -3.752 7.681 1.00 0.00 C ATOM 137 CD1 ILE A 12 0.825 -6.218 6.469 1.00 0.00 C ATOM 0 H ILE A 12 1.792 -3.366 5.621 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.080 -3.155 4.994 1.00 0.00 H new ATOM 0 HB ILE A 12 0.490 -3.996 7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.316 -5.976 6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.600 -5.363 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.676 -4.525 8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.479 -2.780 8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.513 -3.748 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.758 -7.211 6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.680 -5.689 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.952 -6.312 7.548 1.00 0.00 H new ATOM 149 N VAL A 13 -1.354 -0.822 5.581 1.00 0.00 N ATOM 150 CA VAL A 13 -1.623 0.553 5.965 1.00 0.00 C ATOM 151 C VAL A 13 -3.135 0.762 6.073 1.00 0.00 C ATOM 152 O VAL A 13 -3.886 0.365 5.184 1.00 0.00 O ATOM 153 CB VAL A 13 -0.956 1.512 4.977 1.00 0.00 C ATOM 154 CG1 VAL A 13 0.561 1.313 4.957 1.00 0.00 C ATOM 155 CG2 VAL A 13 -1.548 1.353 3.574 1.00 0.00 C ATOM 0 H VAL A 13 -1.924 -1.168 4.809 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.195 0.767 6.944 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.156 2.530 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.010 2.007 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.966 1.500 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.790 0.290 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.057 2.046 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.393 0.331 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.616 1.569 3.603 1.00 0.00 H new ATOM 165 N LYS A 14 -3.536 1.386 7.172 1.00 0.00 N ATOM 166 CA LYS A 14 -4.945 1.653 7.408 1.00 0.00 C ATOM 167 C LYS A 14 -5.284 3.059 6.909 1.00 0.00 C ATOM 168 O LYS A 14 -4.470 3.975 7.022 1.00 0.00 O ATOM 169 CB LYS A 14 -5.294 1.421 8.879 1.00 0.00 C ATOM 170 CG LYS A 14 -6.807 1.282 9.068 1.00 0.00 C ATOM 171 CD LYS A 14 -7.241 -0.181 8.963 1.00 0.00 C ATOM 172 CE LYS A 14 -6.972 -0.928 10.271 1.00 0.00 C ATOM 173 NZ LYS A 14 -7.718 -2.206 10.301 1.00 0.00 N ATOM 0 H LYS A 14 -2.910 1.714 7.908 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.565 0.957 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.795 0.521 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.924 2.252 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.094 1.681 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.327 1.874 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.303 -0.233 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.705 -0.665 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.904 -1.121 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.267 -0.308 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.201 -2.896 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.662 -2.048 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.816 -2.573 9.333 1.00 0.00 H new ATOM 187 N ALA A 15 -6.486 3.187 6.368 1.00 0.00 N ATOM 188 CA ALA A 15 -6.943 4.466 5.852 1.00 0.00 C ATOM 189 C ALA A 15 -6.943 5.497 6.983 1.00 0.00 C ATOM 190 O ALA A 15 -6.559 5.187 8.110 1.00 0.00 O ATOM 191 CB ALA A 15 -8.325 4.297 5.218 1.00 0.00 C ATOM 0 H ALA A 15 -7.158 2.425 6.276 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.270 4.828 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.668 5.257 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.265 3.577 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.028 3.937 5.969 1.00 0.00 H new ATOM 197 N ARG A 16 -7.377 6.702 6.643 1.00 0.00 N ATOM 198 CA ARG A 16 -7.432 7.780 7.616 1.00 0.00 C ATOM 199 C ARG A 16 -8.861 8.312 7.739 1.00 0.00 C ATOM 200 O ARG A 16 -9.407 8.384 8.838 1.00 0.00 O ATOM 201 CB ARG A 16 -6.500 8.927 7.219 1.00 0.00 C ATOM 202 CG ARG A 16 -6.654 10.113 8.174 1.00 0.00 C ATOM 203 CD ARG A 16 -5.945 11.353 7.626 1.00 0.00 C ATOM 204 NE ARG A 16 -5.367 12.140 8.739 1.00 0.00 N ATOM 205 CZ ARG A 16 -4.420 13.074 8.585 1.00 0.00 C ATOM 206 NH1 ARG A 16 -3.937 13.345 7.365 1.00 0.00 N ATOM 207 NH2 ARG A 16 -3.955 13.738 9.653 1.00 0.00 N ATOM 0 H ARG A 16 -7.694 6.956 5.707 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.107 7.378 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.467 8.580 7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.722 9.245 6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.712 10.330 8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.242 9.855 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.158 11.055 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.649 11.966 7.064 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.712 11.959 9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.291 12.840 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.216 14.057 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.323 13.531 10.582 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.234 14.450 9.537 1.00 0.00 H new ATOM 221 N PHE A 17 -9.426 8.670 6.595 1.00 0.00 N ATOM 222 CA PHE A 17 -10.780 9.193 6.561 1.00 0.00 C ATOM 223 C PHE A 17 -11.489 8.798 5.263 1.00 0.00 C ATOM 224 O PHE A 17 -10.850 8.331 4.322 1.00 0.00 O ATOM 225 CB PHE A 17 -10.672 10.719 6.624 1.00 0.00 C ATOM 226 CG PHE A 17 -10.296 11.371 5.293 1.00 0.00 C ATOM 227 CD1 PHE A 17 -11.241 11.552 4.332 1.00 0.00 C ATOM 228 CD2 PHE A 17 -9.015 11.771 5.071 1.00 0.00 C ATOM 229 CE1 PHE A 17 -10.891 12.158 3.096 1.00 0.00 C ATOM 230 CE2 PHE A 17 -8.665 12.378 3.835 1.00 0.00 C ATOM 231 CZ PHE A 17 -9.610 12.558 2.875 1.00 0.00 C ATOM 0 H PHE A 17 -8.970 8.608 5.685 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.355 8.790 7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.625 11.127 6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.928 10.990 7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.258 11.235 4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.264 11.627 5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.641 12.301 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.648 12.696 3.658 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.343 13.019 1.936 1.00 0.00 H new ATOM 241 N ASN A 18 -12.798 8.998 5.258 1.00 0.00 N ATOM 242 CA ASN A 18 -13.600 8.668 4.091 1.00 0.00 C ATOM 243 C ASN A 18 -12.922 9.224 2.837 1.00 0.00 C ATOM 244 O ASN A 18 -12.983 10.425 2.577 1.00 0.00 O ATOM 245 CB ASN A 18 -14.996 9.287 4.189 1.00 0.00 C ATOM 246 CG ASN A 18 -15.651 8.951 5.531 1.00 0.00 C ATOM 247 OD1 ASN A 18 -15.540 9.678 6.504 1.00 0.00 O ATOM 248 ND2 ASN A 18 -16.340 7.814 5.526 1.00 0.00 N ATOM 0 H ASN A 18 -13.324 9.384 6.042 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.690 7.583 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -14.927 10.369 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -15.619 8.919 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.817 7.503 6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -16.392 7.253 4.676 1.00 0.00 H new ATOM 255 N PHE A 19 -12.294 8.325 2.094 1.00 0.00 N ATOM 256 CA PHE A 19 -11.606 8.711 0.874 1.00 0.00 C ATOM 257 C PHE A 19 -12.321 8.154 -0.358 1.00 0.00 C ATOM 258 O PHE A 19 -12.309 6.947 -0.595 1.00 0.00 O ATOM 259 CB PHE A 19 -10.199 8.115 0.946 1.00 0.00 C ATOM 260 CG PHE A 19 -9.407 8.231 -0.357 1.00 0.00 C ATOM 261 CD1 PHE A 19 -9.538 7.279 -1.320 1.00 0.00 C ATOM 262 CD2 PHE A 19 -8.571 9.286 -0.553 1.00 0.00 C ATOM 263 CE1 PHE A 19 -8.802 7.387 -2.530 1.00 0.00 C ATOM 264 CE2 PHE A 19 -7.836 9.394 -1.764 1.00 0.00 C ATOM 265 CZ PHE A 19 -7.966 8.442 -2.726 1.00 0.00 C ATOM 0 H PHE A 19 -12.247 7.330 2.313 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.583 9.797 0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.645 8.613 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.275 7.063 1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.202 6.441 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.466 10.041 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.906 6.631 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.174 10.233 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.406 8.523 -3.646 1.00 0.00 H new ATOM 275 N LYS A 20 -12.927 9.061 -1.110 1.00 0.00 N ATOM 276 CA LYS A 20 -13.647 8.675 -2.312 1.00 0.00 C ATOM 277 C LYS A 20 -12.662 8.569 -3.479 1.00 0.00 C ATOM 278 O LYS A 20 -11.766 9.400 -3.616 1.00 0.00 O ATOM 279 CB LYS A 20 -14.808 9.637 -2.575 1.00 0.00 C ATOM 280 CG LYS A 20 -15.605 9.211 -3.809 1.00 0.00 C ATOM 281 CD LYS A 20 -16.376 10.393 -4.399 1.00 0.00 C ATOM 282 CE LYS A 20 -17.873 10.271 -4.112 1.00 0.00 C ATOM 283 NZ LYS A 20 -18.663 10.665 -5.300 1.00 0.00 N ATOM 0 H LYS A 20 -12.934 10.061 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.100 7.692 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.465 9.666 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.423 10.647 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.929 8.802 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.301 8.416 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.997 11.325 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.211 10.438 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.113 9.245 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.139 10.903 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.677 10.576 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.447 11.651 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.421 10.045 -6.099 1.00 0.00 H new ATOM 297 N GLN A 21 -12.862 7.539 -4.288 1.00 0.00 N ATOM 298 CA GLN A 21 -12.002 7.314 -5.439 1.00 0.00 C ATOM 299 C GLN A 21 -12.357 8.285 -6.565 1.00 0.00 C ATOM 300 O GLN A 21 -13.520 8.649 -6.733 1.00 0.00 O ATOM 301 CB GLN A 21 -12.096 5.863 -5.916 1.00 0.00 C ATOM 302 CG GLN A 21 -13.443 5.593 -6.587 1.00 0.00 C ATOM 303 CD GLN A 21 -13.688 4.090 -6.741 1.00 0.00 C ATOM 304 OE1 GLN A 21 -14.714 3.558 -6.350 1.00 0.00 O ATOM 305 NE2 GLN A 21 -12.690 3.436 -7.329 1.00 0.00 N ATOM 0 H GLN A 21 -13.606 6.851 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.970 7.499 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.288 5.654 -6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.966 5.189 -5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.244 6.037 -5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.468 6.071 -7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.858 3.942 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.757 2.429 -7.476 1.00 0.00 H new ATOM 314 N THR A 22 -11.333 8.680 -7.308 1.00 0.00 N ATOM 315 CA THR A 22 -11.522 9.603 -8.414 1.00 0.00 C ATOM 316 C THR A 22 -12.089 8.869 -9.630 1.00 0.00 C ATOM 317 O THR A 22 -12.541 9.499 -10.585 1.00 0.00 O ATOM 318 CB THR A 22 -10.184 10.291 -8.689 1.00 0.00 C ATOM 319 OG1 THR A 22 -9.286 9.215 -8.947 1.00 0.00 O ATOM 320 CG2 THR A 22 -9.606 10.968 -7.444 1.00 0.00 C ATOM 0 H THR A 22 -10.369 8.377 -7.165 1.00 0.00 H new ATOM 0 HA THR A 22 -12.254 10.372 -8.167 1.00 0.00 H new ATOM 0 HB THR A 22 -10.313 11.032 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.393 9.572 -9.137 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.656 11.441 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.304 11.724 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.446 10.222 -6.666 1.00 0.00 H new ATOM 328 N ASN A 23 -12.047 7.547 -9.556 1.00 0.00 N ATOM 329 CA ASN A 23 -12.551 6.720 -10.639 1.00 0.00 C ATOM 330 C ASN A 23 -12.504 5.250 -10.218 1.00 0.00 C ATOM 331 O ASN A 23 -11.920 4.914 -9.189 1.00 0.00 O ATOM 332 CB ASN A 23 -11.696 6.879 -11.897 1.00 0.00 C ATOM 333 CG ASN A 23 -12.224 8.011 -12.780 1.00 0.00 C ATOM 334 OD1 ASN A 23 -13.387 8.374 -12.739 1.00 0.00 O ATOM 335 ND2 ASN A 23 -11.304 8.547 -13.579 1.00 0.00 N ATOM 0 H ASN A 23 -11.671 7.028 -8.762 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.572 7.034 -10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.663 7.084 -11.615 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.693 5.945 -12.460 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.556 9.310 -14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.347 8.195 -13.563 1.00 0.00 H new ATOM 342 N GLU A 24 -13.126 4.412 -11.034 1.00 0.00 N ATOM 343 CA GLU A 24 -13.163 2.987 -10.759 1.00 0.00 C ATOM 344 C GLU A 24 -11.785 2.364 -10.996 1.00 0.00 C ATOM 345 O GLU A 24 -11.582 1.180 -10.734 1.00 0.00 O ATOM 346 CB GLU A 24 -14.231 2.292 -11.605 1.00 0.00 C ATOM 347 CG GLU A 24 -14.025 2.581 -13.094 1.00 0.00 C ATOM 348 CD GLU A 24 -14.973 3.681 -13.575 1.00 0.00 C ATOM 349 OE1 GLU A 24 -16.199 3.458 -13.474 1.00 0.00 O ATOM 350 OE2 GLU A 24 -14.450 4.719 -14.033 1.00 0.00 O ATOM 0 H GLU A 24 -13.609 4.694 -11.887 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.429 2.847 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.195 1.217 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.220 2.631 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.993 2.883 -13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.194 1.672 -13.671 1.00 0.00 H new ATOM 357 N ASP A 25 -10.875 3.191 -11.491 1.00 0.00 N ATOM 358 CA ASP A 25 -9.523 2.737 -11.767 1.00 0.00 C ATOM 359 C ASP A 25 -8.711 2.752 -10.471 1.00 0.00 C ATOM 360 O ASP A 25 -7.934 1.834 -10.210 1.00 0.00 O ATOM 361 CB ASP A 25 -8.828 3.658 -12.772 1.00 0.00 C ATOM 362 CG ASP A 25 -9.155 3.378 -14.239 1.00 0.00 C ATOM 363 OD1 ASP A 25 -9.786 2.329 -14.490 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.765 4.219 -15.078 1.00 0.00 O ATOM 0 H ASP A 25 -11.048 4.173 -11.708 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.582 1.731 -12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.100 4.689 -12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.750 3.575 -12.633 1.00 0.00 H new ATOM 369 N GLU A 26 -8.917 3.805 -9.692 1.00 0.00 N ATOM 370 CA GLU A 26 -8.213 3.951 -8.430 1.00 0.00 C ATOM 371 C GLU A 26 -8.857 3.069 -7.358 1.00 0.00 C ATOM 372 O GLU A 26 -9.835 2.373 -7.627 1.00 0.00 O ATOM 373 CB GLU A 26 -8.178 5.415 -7.988 1.00 0.00 C ATOM 374 CG GLU A 26 -6.751 5.851 -7.647 1.00 0.00 C ATOM 375 CD GLU A 26 -6.042 6.416 -8.880 1.00 0.00 C ATOM 376 OE1 GLU A 26 -6.022 5.698 -9.902 1.00 0.00 O ATOM 377 OE2 GLU A 26 -5.537 7.555 -8.771 1.00 0.00 O ATOM 0 H GLU A 26 -9.561 4.565 -9.911 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.183 3.624 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.576 6.048 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.821 5.552 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.775 6.604 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.190 5.001 -7.258 1.00 0.00 H new ATOM 384 N LEU A 27 -8.282 3.128 -6.166 1.00 0.00 N ATOM 385 CA LEU A 27 -8.789 2.344 -5.052 1.00 0.00 C ATOM 386 C LEU A 27 -9.857 3.150 -4.310 1.00 0.00 C ATOM 387 O LEU A 27 -10.004 4.349 -4.539 1.00 0.00 O ATOM 388 CB LEU A 27 -7.637 1.879 -4.157 1.00 0.00 C ATOM 389 CG LEU A 27 -7.795 0.494 -3.527 1.00 0.00 C ATOM 390 CD1 LEU A 27 -6.482 -0.288 -3.585 1.00 0.00 C ATOM 391 CD2 LEU A 27 -8.338 0.599 -2.101 1.00 0.00 C ATOM 0 H LEU A 27 -7.471 3.706 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.270 1.435 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.720 1.886 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.508 2.608 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.528 -0.065 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.622 -1.269 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.177 -0.410 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.710 0.257 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.441 -0.400 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.649 1.183 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.312 1.088 -2.118 1.00 0.00 H new ATOM 403 N SER A 28 -10.575 2.458 -3.437 1.00 0.00 N ATOM 404 CA SER A 28 -11.625 3.094 -2.660 1.00 0.00 C ATOM 405 C SER A 28 -11.540 2.646 -1.199 1.00 0.00 C ATOM 406 O SER A 28 -11.608 1.453 -0.908 1.00 0.00 O ATOM 407 CB SER A 28 -13.005 2.774 -3.235 1.00 0.00 C ATOM 408 OG SER A 28 -14.005 2.715 -2.221 1.00 0.00 O ATOM 0 H SER A 28 -10.450 1.463 -3.251 1.00 0.00 H new ATOM 0 HA SER A 28 -11.482 4.173 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.277 3.533 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.966 1.821 -3.762 1.00 0.00 H new ATOM 0 HG SER A 28 -14.872 2.510 -2.628 1.00 0.00 H new ATOM 414 N VAL A 29 -11.395 3.627 -0.321 1.00 0.00 N ATOM 415 CA VAL A 29 -11.301 3.348 1.102 1.00 0.00 C ATOM 416 C VAL A 29 -12.188 4.329 1.870 1.00 0.00 C ATOM 417 O VAL A 29 -12.493 5.414 1.375 1.00 0.00 O ATOM 418 CB VAL A 29 -9.837 3.390 1.548 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.063 2.188 1.005 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.175 4.704 1.128 1.00 0.00 C ATOM 0 H VAL A 29 -11.340 4.615 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.665 2.344 1.319 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.816 3.336 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.026 2.243 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.514 1.267 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.096 2.196 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.136 4.709 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.213 4.800 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.704 5.540 1.585 1.00 0.00 H new ATOM 430 N CYS A 30 -12.578 3.914 3.066 1.00 0.00 N ATOM 431 CA CYS A 30 -13.424 4.744 3.907 1.00 0.00 C ATOM 432 C CYS A 30 -12.748 4.892 5.271 1.00 0.00 C ATOM 433 O CYS A 30 -11.986 5.832 5.491 1.00 0.00 O ATOM 434 CB CYS A 30 -14.837 4.169 4.029 1.00 0.00 C ATOM 435 SG CYS A 30 -14.788 2.348 3.859 1.00 0.00 S ATOM 0 H CYS A 30 -12.324 3.014 3.473 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.541 5.728 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -15.267 4.441 4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -15.480 4.597 3.260 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.717 1.887 4.433 1.00 0.00 H new ATOM 441 N LYS A 31 -13.053 3.951 6.152 1.00 0.00 N ATOM 442 CA LYS A 31 -12.485 3.965 7.489 1.00 0.00 C ATOM 443 C LYS A 31 -12.210 2.529 7.938 1.00 0.00 C ATOM 444 O LYS A 31 -12.968 1.617 7.610 1.00 0.00 O ATOM 445 CB LYS A 31 -13.387 4.747 8.447 1.00 0.00 C ATOM 446 CG LYS A 31 -12.563 5.669 9.346 1.00 0.00 C ATOM 447 CD LYS A 31 -13.362 6.915 9.734 1.00 0.00 C ATOM 448 CE LYS A 31 -13.818 6.842 11.194 1.00 0.00 C ATOM 449 NZ LYS A 31 -12.851 7.536 12.073 1.00 0.00 N ATOM 0 H LYS A 31 -13.686 3.173 5.966 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.529 4.488 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.105 5.336 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.961 4.052 9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.261 5.132 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.650 5.965 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.750 7.805 9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.230 7.012 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.803 7.296 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.914 5.800 11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.175 7.477 13.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.918 7.085 11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.780 8.534 11.791 1.00 0.00 H new ATOM 463 N GLY A 32 -11.123 2.372 8.680 1.00 0.00 N ATOM 464 CA GLY A 32 -10.739 1.061 9.176 1.00 0.00 C ATOM 465 C GLY A 32 -10.740 0.026 8.049 1.00 0.00 C ATOM 466 O GLY A 32 -11.529 -0.917 8.068 1.00 0.00 O ATOM 0 H GLY A 32 -10.497 3.131 8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.747 1.114 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.428 0.749 9.961 1.00 0.00 H new ATOM 470 N ASP A 33 -9.847 0.238 7.094 1.00 0.00 N ATOM 471 CA ASP A 33 -9.734 -0.665 5.961 1.00 0.00 C ATOM 472 C ASP A 33 -8.259 -0.823 5.586 1.00 0.00 C ATOM 473 O ASP A 33 -7.731 -0.049 4.790 1.00 0.00 O ATOM 474 CB ASP A 33 -10.475 -0.114 4.742 1.00 0.00 C ATOM 475 CG ASP A 33 -11.939 -0.543 4.627 1.00 0.00 C ATOM 476 OD1 ASP A 33 -12.159 -1.746 4.369 1.00 0.00 O ATOM 477 OD2 ASP A 33 -12.806 0.342 4.800 1.00 0.00 O ATOM 0 H ASP A 33 -9.195 1.022 7.081 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.171 -1.622 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.432 0.975 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.948 -0.430 3.842 1.00 0.00 H new ATOM 482 N ILE A 34 -7.636 -1.833 6.177 1.00 0.00 N ATOM 483 CA ILE A 34 -6.233 -2.102 5.915 1.00 0.00 C ATOM 484 C ILE A 34 -6.035 -2.342 4.416 1.00 0.00 C ATOM 485 O ILE A 34 -6.783 -3.101 3.802 1.00 0.00 O ATOM 486 CB ILE A 34 -5.735 -3.253 6.792 1.00 0.00 C ATOM 487 CG1 ILE A 34 -5.041 -2.724 8.048 1.00 0.00 C ATOM 488 CG2 ILE A 34 -4.836 -4.201 5.996 1.00 0.00 C ATOM 489 CD1 ILE A 34 -3.990 -1.671 7.692 1.00 0.00 C ATOM 0 H ILE A 34 -8.078 -2.474 6.836 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.624 -1.239 6.184 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.599 -3.830 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.781 -2.291 8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.568 -3.549 8.581 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.496 -5.009 6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.397 -4.617 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.973 -3.652 5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.512 -1.312 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.239 -2.114 7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.470 -0.836 7.181 1.00 0.00 H new ATOM 501 N ILE A 35 -5.026 -1.679 3.872 1.00 0.00 N ATOM 502 CA ILE A 35 -4.720 -1.809 2.457 1.00 0.00 C ATOM 503 C ILE A 35 -3.300 -2.355 2.295 1.00 0.00 C ATOM 504 O ILE A 35 -2.377 -1.902 2.969 1.00 0.00 O ATOM 505 CB ILE A 35 -4.956 -0.482 1.733 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.306 0.123 2.123 1.00 0.00 C ATOM 507 CG2 ILE A 35 -4.821 -0.653 0.219 1.00 0.00 C ATOM 508 CD1 ILE A 35 -6.134 1.540 2.672 1.00 0.00 C ATOM 0 H ILE A 35 -4.409 -1.050 4.385 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.393 -2.526 1.986 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.185 0.221 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.964 0.143 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.787 -0.505 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.993 0.305 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.818 -1.008 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.555 -1.378 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.109 1.947 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.495 1.513 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.675 2.172 1.911 1.00 0.00 H new ATOM 520 N TYR A 36 -3.170 -3.320 1.395 1.00 0.00 N ATOM 521 CA TYR A 36 -1.879 -3.931 1.136 1.00 0.00 C ATOM 522 C TYR A 36 -1.173 -3.247 -0.037 1.00 0.00 C ATOM 523 O TYR A 36 -1.609 -3.365 -1.181 1.00 0.00 O ATOM 524 CB TYR A 36 -2.168 -5.387 0.762 1.00 0.00 C ATOM 525 CG TYR A 36 -2.849 -6.191 1.872 1.00 0.00 C ATOM 526 CD1 TYR A 36 -2.273 -6.261 3.124 1.00 0.00 C ATOM 527 CD2 TYR A 36 -4.037 -6.846 1.621 1.00 0.00 C ATOM 528 CE1 TYR A 36 -2.913 -7.017 4.169 1.00 0.00 C ATOM 529 CE2 TYR A 36 -4.677 -7.602 2.666 1.00 0.00 C ATOM 530 CZ TYR A 36 -4.083 -7.651 3.889 1.00 0.00 C ATOM 531 OH TYR A 36 -4.688 -8.367 4.875 1.00 0.00 O ATOM 0 H TYR A 36 -3.938 -3.693 0.837 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.232 -3.844 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.800 -5.405 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.231 -5.876 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.343 -5.749 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.487 -6.792 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.474 -7.079 5.154 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.608 -8.119 2.483 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.515 -8.764 4.531 1.00 0.00 H new ATOM 541 N VAL A 37 -0.097 -2.547 0.289 1.00 0.00 N ATOM 542 CA VAL A 37 0.673 -1.843 -0.724 1.00 0.00 C ATOM 543 C VAL A 37 1.617 -2.828 -1.415 1.00 0.00 C ATOM 544 O VAL A 37 2.477 -3.426 -0.771 1.00 0.00 O ATOM 545 CB VAL A 37 1.403 -0.656 -0.094 1.00 0.00 C ATOM 546 CG1 VAL A 37 1.992 0.259 -1.170 1.00 0.00 C ATOM 547 CG2 VAL A 37 0.477 0.124 0.841 1.00 0.00 C ATOM 0 H VAL A 37 0.260 -2.452 1.240 1.00 0.00 H new ATOM 0 HA VAL A 37 0.014 -1.433 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 37 2.228 -1.048 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.506 1.095 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.700 -0.304 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.190 0.638 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.021 0.963 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.377 0.499 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.127 -0.533 1.637 1.00 0.00 H new ATOM 557 N THR A 38 1.425 -2.966 -2.720 1.00 0.00 N ATOM 558 CA THR A 38 2.249 -3.867 -3.506 1.00 0.00 C ATOM 559 C THR A 38 3.236 -3.075 -4.366 1.00 0.00 C ATOM 560 O THR A 38 4.413 -3.420 -4.444 1.00 0.00 O ATOM 561 CB THR A 38 1.319 -4.769 -4.321 1.00 0.00 C ATOM 562 OG1 THR A 38 2.168 -5.333 -5.317 1.00 0.00 O ATOM 563 CG2 THR A 38 0.285 -3.973 -5.119 1.00 0.00 C ATOM 0 H THR A 38 0.711 -2.468 -3.251 1.00 0.00 H new ATOM 0 HA THR A 38 2.862 -4.502 -2.866 1.00 0.00 H new ATOM 0 HB THR A 38 0.807 -5.462 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.646 -5.933 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.349 -4.660 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.329 -3.387 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.796 -3.304 -5.812 1.00 0.00 H new ATOM 571 N ARG A 39 2.717 -2.028 -4.991 1.00 0.00 N ATOM 572 CA ARG A 39 3.537 -1.184 -5.843 1.00 0.00 C ATOM 573 C ARG A 39 4.542 -0.396 -5.000 1.00 0.00 C ATOM 574 O ARG A 39 5.737 -0.690 -5.017 1.00 0.00 O ATOM 575 CB ARG A 39 2.675 -0.205 -6.643 1.00 0.00 C ATOM 576 CG ARG A 39 3.530 0.616 -7.609 1.00 0.00 C ATOM 577 CD ARG A 39 3.076 0.407 -9.056 1.00 0.00 C ATOM 578 NE ARG A 39 3.644 -0.852 -9.588 1.00 0.00 N ATOM 579 CZ ARG A 39 3.593 -1.213 -10.877 1.00 0.00 C ATOM 580 NH1 ARG A 39 3.001 -0.414 -11.775 1.00 0.00 N ATOM 581 NH2 ARG A 39 4.135 -2.375 -11.269 1.00 0.00 N ATOM 0 H ARG A 39 1.739 -1.745 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 39 4.070 -1.833 -6.538 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.916 -0.755 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.148 0.462 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.462 1.673 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.577 0.330 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.988 0.373 -9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.395 1.248 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 39 4.103 -1.484 -8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.589 0.470 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.963 -0.690 -12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.586 -2.984 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.096 -2.650 -12.250 1.00 0.00 H new ATOM 595 N VAL A 40 4.022 0.589 -4.283 1.00 0.00 N ATOM 596 CA VAL A 40 4.858 1.421 -3.436 1.00 0.00 C ATOM 597 C VAL A 40 5.640 2.406 -4.308 1.00 0.00 C ATOM 598 O VAL A 40 6.822 2.201 -4.576 1.00 0.00 O ATOM 599 CB VAL A 40 5.763 0.543 -2.569 1.00 0.00 C ATOM 600 CG1 VAL A 40 6.507 1.381 -1.528 1.00 0.00 C ATOM 601 CG2 VAL A 40 4.962 -0.577 -1.901 1.00 0.00 C ATOM 0 H VAL A 40 3.031 0.830 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 40 4.244 2.007 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 40 6.506 0.082 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.143 0.732 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.123 2.125 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.786 1.883 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.628 -1.187 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.187 -0.143 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.500 -1.200 -2.667 1.00 0.00 H new ATOM 611 N GLU A 41 4.946 3.456 -4.724 1.00 0.00 N ATOM 612 CA GLU A 41 5.561 4.474 -5.559 1.00 0.00 C ATOM 613 C GLU A 41 5.865 5.725 -4.734 1.00 0.00 C ATOM 614 O GLU A 41 5.175 6.012 -3.758 1.00 0.00 O ATOM 615 CB GLU A 41 4.671 4.810 -6.757 1.00 0.00 C ATOM 616 CG GLU A 41 4.705 3.689 -7.798 1.00 0.00 C ATOM 617 CD GLU A 41 5.546 4.090 -9.011 1.00 0.00 C ATOM 618 OE1 GLU A 41 6.785 3.957 -8.910 1.00 0.00 O ATOM 619 OE2 GLU A 41 4.933 4.522 -10.010 1.00 0.00 O ATOM 0 H GLU A 41 3.965 3.623 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 41 6.501 4.081 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.646 4.967 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.004 5.743 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.116 2.784 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.690 3.454 -8.117 1.00 0.00 H new ATOM 626 N GLU A 42 6.899 6.437 -5.158 1.00 0.00 N ATOM 627 CA GLU A 42 7.303 7.652 -4.469 1.00 0.00 C ATOM 628 C GLU A 42 6.782 8.883 -5.214 1.00 0.00 C ATOM 629 O GLU A 42 6.945 10.010 -4.749 1.00 0.00 O ATOM 630 CB GLU A 42 8.824 7.712 -4.309 1.00 0.00 C ATOM 631 CG GLU A 42 9.511 7.877 -5.667 1.00 0.00 C ATOM 632 CD GLU A 42 10.799 8.693 -5.533 1.00 0.00 C ATOM 633 OE1 GLU A 42 10.738 9.744 -4.860 1.00 0.00 O ATOM 634 OE2 GLU A 42 11.816 8.245 -6.107 1.00 0.00 O ATOM 0 H GLU A 42 7.469 6.197 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 42 6.865 7.643 -3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.092 8.544 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.179 6.802 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.739 6.896 -6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.834 8.371 -6.364 1.00 0.00 H new ATOM 641 N GLY A 43 6.163 8.625 -6.357 1.00 0.00 N ATOM 642 CA GLY A 43 5.616 9.698 -7.170 1.00 0.00 C ATOM 643 C GLY A 43 4.614 10.535 -6.372 1.00 0.00 C ATOM 644 O GLY A 43 4.662 11.763 -6.405 1.00 0.00 O ATOM 0 H GLY A 43 6.028 7.689 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.424 10.336 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.127 9.279 -8.049 1.00 0.00 H new ATOM 648 N GLY A 44 3.731 9.835 -5.676 1.00 0.00 N ATOM 649 CA GLY A 44 2.719 10.498 -4.870 1.00 0.00 C ATOM 650 C GLY A 44 1.555 9.554 -4.565 1.00 0.00 C ATOM 651 O GLY A 44 0.918 9.665 -3.519 1.00 0.00 O ATOM 0 H GLY A 44 3.695 8.816 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.163 10.847 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.350 11.378 -5.396 1.00 0.00 H new ATOM 655 N TRP A 45 1.313 8.645 -5.498 1.00 0.00 N ATOM 656 CA TRP A 45 0.236 7.681 -5.343 1.00 0.00 C ATOM 657 C TRP A 45 0.850 6.355 -4.889 1.00 0.00 C ATOM 658 O TRP A 45 2.041 6.119 -5.087 1.00 0.00 O ATOM 659 CB TRP A 45 -0.576 7.554 -6.633 1.00 0.00 C ATOM 660 CG TRP A 45 -1.266 8.849 -7.065 1.00 0.00 C ATOM 661 CD1 TRP A 45 -0.702 9.960 -7.558 1.00 0.00 C ATOM 662 CD2 TRP A 45 -2.683 9.125 -7.022 1.00 0.00 C ATOM 663 NE1 TRP A 45 -1.647 10.928 -7.834 1.00 0.00 N ATOM 664 CE2 TRP A 45 -2.889 10.403 -7.498 1.00 0.00 C ATOM 665 CE3 TRP A 45 -3.754 8.320 -6.595 1.00 0.00 C ATOM 666 CZ2 TRP A 45 -4.156 10.991 -7.592 1.00 0.00 C ATOM 667 CZ3 TRP A 45 -5.013 8.921 -6.695 1.00 0.00 C ATOM 668 CH2 TRP A 45 -5.239 10.208 -7.173 1.00 0.00 C ATOM 0 H TRP A 45 1.844 8.555 -6.364 1.00 0.00 H new ATOM 0 HA TRP A 45 -0.473 8.013 -4.585 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.084 7.222 -7.434 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.331 6.779 -6.500 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.359 10.083 -7.719 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.467 11.857 -8.214 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -3.615 7.317 -6.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.291 11.995 -7.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.870 8.345 -6.379 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.244 10.601 -7.221 1.00 0.00 H new ATOM 679 N TRP A 46 0.009 5.525 -4.290 1.00 0.00 N ATOM 680 CA TRP A 46 0.455 4.229 -3.808 1.00 0.00 C ATOM 681 C TRP A 46 -0.563 3.181 -4.260 1.00 0.00 C ATOM 682 O TRP A 46 -1.760 3.327 -4.017 1.00 0.00 O ATOM 683 CB TRP A 46 0.660 4.249 -2.291 1.00 0.00 C ATOM 684 CG TRP A 46 2.126 4.203 -1.860 1.00 0.00 C ATOM 685 CD1 TRP A 46 3.201 4.623 -2.543 1.00 0.00 C ATOM 686 CD2 TRP A 46 2.641 3.690 -0.613 1.00 0.00 C ATOM 687 NE1 TRP A 46 4.365 4.419 -1.830 1.00 0.00 N ATOM 688 CE2 TRP A 46 4.013 3.833 -0.620 1.00 0.00 C ATOM 689 CE3 TRP A 46 1.968 3.123 0.483 1.00 0.00 C ATOM 690 CZ2 TRP A 46 4.831 3.433 0.444 1.00 0.00 C ATOM 691 CZ3 TRP A 46 2.800 2.729 1.539 1.00 0.00 C ATOM 692 CH2 TRP A 46 4.183 2.866 1.548 1.00 0.00 C ATOM 0 H TRP A 46 -0.978 5.724 -4.128 1.00 0.00 H new ATOM 0 HA TRP A 46 1.427 3.974 -4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.201 5.150 -1.885 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.137 3.399 -1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.161 5.065 -3.527 1.00 0.00 H new ATOM 0 HE1 TRP A 46 5.309 4.655 -2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.895 3.001 0.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.904 3.555 0.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.334 2.288 2.407 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.755 2.537 2.403 1.00 0.00 H new ATOM 703 N GLU A 47 -0.051 2.145 -4.910 1.00 0.00 N ATOM 704 CA GLU A 47 -0.901 1.073 -5.397 1.00 0.00 C ATOM 705 C GLU A 47 -0.841 -0.126 -4.448 1.00 0.00 C ATOM 706 O GLU A 47 0.229 -0.688 -4.220 1.00 0.00 O ATOM 707 CB GLU A 47 -0.509 0.666 -6.819 1.00 0.00 C ATOM 708 CG GLU A 47 -0.783 -0.819 -7.061 1.00 0.00 C ATOM 709 CD GLU A 47 -0.438 -1.214 -8.498 1.00 0.00 C ATOM 710 OE1 GLU A 47 -0.432 -0.301 -9.352 1.00 0.00 O ATOM 711 OE2 GLU A 47 -0.188 -2.420 -8.710 1.00 0.00 O ATOM 0 H GLU A 47 0.942 2.026 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.928 1.436 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.067 1.264 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.548 0.875 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.197 -1.419 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.833 -1.036 -6.863 1.00 0.00 H new ATOM 718 N GLY A 48 -2.002 -0.481 -3.921 1.00 0.00 N ATOM 719 CA GLY A 48 -2.095 -1.604 -3.002 1.00 0.00 C ATOM 720 C GLY A 48 -3.348 -2.437 -3.279 1.00 0.00 C ATOM 721 O GLY A 48 -3.869 -2.431 -4.393 1.00 0.00 O ATOM 0 H GLY A 48 -2.887 -0.012 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.209 -2.231 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.117 -1.238 -1.976 1.00 0.00 H new ATOM 725 N THR A 49 -3.797 -3.133 -2.245 1.00 0.00 N ATOM 726 CA THR A 49 -4.979 -3.970 -2.363 1.00 0.00 C ATOM 727 C THR A 49 -5.826 -3.878 -1.092 1.00 0.00 C ATOM 728 O THR A 49 -5.299 -3.961 0.017 1.00 0.00 O ATOM 729 CB THR A 49 -4.521 -5.393 -2.685 1.00 0.00 C ATOM 730 OG1 THR A 49 -4.557 -5.454 -4.109 1.00 0.00 O ATOM 731 CG2 THR A 49 -5.535 -6.449 -2.243 1.00 0.00 C ATOM 0 H THR A 49 -3.364 -3.135 -1.322 1.00 0.00 H new ATOM 0 HA THR A 49 -5.625 -3.630 -3.173 1.00 0.00 H new ATOM 0 HB THR A 49 -3.563 -5.584 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.425 -4.556 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.161 -7.441 -2.495 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.685 -6.381 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.483 -6.279 -2.753 1.00 0.00 H new ATOM 739 N LEU A 50 -7.124 -3.710 -1.294 1.00 0.00 N ATOM 740 CA LEU A 50 -8.049 -3.605 -0.179 1.00 0.00 C ATOM 741 C LEU A 50 -8.947 -4.843 -0.149 1.00 0.00 C ATOM 742 O LEU A 50 -8.982 -5.612 -1.109 1.00 0.00 O ATOM 743 CB LEU A 50 -8.823 -2.287 -0.244 1.00 0.00 C ATOM 744 CG LEU A 50 -9.876 -2.072 0.844 1.00 0.00 C ATOM 745 CD1 LEU A 50 -9.237 -2.078 2.235 1.00 0.00 C ATOM 746 CD2 LEU A 50 -10.676 -0.794 0.587 1.00 0.00 C ATOM 0 H LEU A 50 -7.558 -3.644 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.504 -3.581 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.108 -1.466 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.315 -2.225 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.578 -2.905 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.008 -1.923 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.748 -3.037 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.499 -1.278 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.418 -0.665 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.001 0.062 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.180 -0.868 -0.377 1.00 0.00 H new ATOM 758 N ASN A 51 -9.652 -4.997 0.962 1.00 0.00 N ATOM 759 CA ASN A 51 -10.547 -6.129 1.129 1.00 0.00 C ATOM 760 C ASN A 51 -11.378 -6.309 -0.143 1.00 0.00 C ATOM 761 O ASN A 51 -12.430 -5.690 -0.295 1.00 0.00 O ATOM 762 CB ASN A 51 -11.512 -5.902 2.295 1.00 0.00 C ATOM 763 CG ASN A 51 -10.827 -6.176 3.635 1.00 0.00 C ATOM 764 OD1 ASN A 51 -10.571 -7.308 4.011 1.00 0.00 O ATOM 765 ND2 ASN A 51 -10.545 -5.080 4.332 1.00 0.00 N ATOM 0 H ASN A 51 -9.621 -4.357 1.755 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.940 -7.011 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.879 -4.876 2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.379 -6.553 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.087 -5.157 5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.787 -4.162 3.959 1.00 0.00 H new ATOM 772 N GLY A 52 -10.875 -7.159 -1.026 1.00 0.00 N ATOM 773 CA GLY A 52 -11.557 -7.428 -2.280 1.00 0.00 C ATOM 774 C GLY A 52 -11.609 -6.175 -3.156 1.00 0.00 C ATOM 775 O GLY A 52 -12.528 -6.008 -3.956 1.00 0.00 O ATOM 0 H GLY A 52 -10.002 -7.671 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.043 -8.228 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.570 -7.778 -2.079 1.00 0.00 H new ATOM 779 N ARG A 53 -10.608 -5.324 -2.976 1.00 0.00 N ATOM 780 CA ARG A 53 -10.528 -4.091 -3.740 1.00 0.00 C ATOM 781 C ARG A 53 -9.109 -3.890 -4.276 1.00 0.00 C ATOM 782 O ARG A 53 -8.188 -4.607 -3.887 1.00 0.00 O ATOM 783 CB ARG A 53 -10.917 -2.885 -2.882 1.00 0.00 C ATOM 784 CG ARG A 53 -12.284 -2.336 -3.296 1.00 0.00 C ATOM 785 CD ARG A 53 -12.139 -1.269 -4.383 1.00 0.00 C ATOM 786 NE ARG A 53 -13.393 -0.491 -4.496 1.00 0.00 N ATOM 787 CZ ARG A 53 -13.773 0.163 -5.603 1.00 0.00 C ATOM 788 NH1 ARG A 53 -12.998 0.138 -6.696 1.00 0.00 N ATOM 789 NH2 ARG A 53 -14.927 0.845 -5.616 1.00 0.00 N ATOM 0 H ARG A 53 -9.846 -5.465 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.227 -4.171 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.940 -3.174 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.162 -2.105 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.911 -3.149 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.787 -1.910 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.309 -0.604 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.906 -1.740 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.006 -0.450 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.119 -0.379 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.288 0.636 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.516 0.866 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.216 1.343 -6.458 1.00 0.00 H new ATOM 803 N THR A 54 -8.977 -2.912 -5.160 1.00 0.00 N ATOM 804 CA THR A 54 -7.686 -2.608 -5.753 1.00 0.00 C ATOM 805 C THR A 54 -7.680 -1.186 -6.317 1.00 0.00 C ATOM 806 O THR A 54 -8.728 -0.548 -6.415 1.00 0.00 O ATOM 807 CB THR A 54 -7.383 -3.679 -6.801 1.00 0.00 C ATOM 808 OG1 THR A 54 -6.552 -4.611 -6.115 1.00 0.00 O ATOM 809 CG2 THR A 54 -6.499 -3.156 -7.935 1.00 0.00 C ATOM 0 H THR A 54 -9.743 -2.320 -5.480 1.00 0.00 H new ATOM 0 HA THR A 54 -6.892 -2.631 -5.006 1.00 0.00 H new ATOM 0 HB THR A 54 -8.318 -4.056 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.922 -4.785 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.315 -3.957 -8.651 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.002 -2.329 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.550 -2.809 -7.526 1.00 0.00 H new ATOM 817 N GLY A 55 -6.489 -0.730 -6.675 1.00 0.00 N ATOM 818 CA GLY A 55 -6.333 0.605 -7.227 1.00 0.00 C ATOM 819 C GLY A 55 -5.189 1.352 -6.539 1.00 0.00 C ATOM 820 O GLY A 55 -4.412 0.757 -5.795 1.00 0.00 O ATOM 0 H GLY A 55 -5.622 -1.262 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.138 0.539 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.261 1.163 -7.106 1.00 0.00 H new ATOM 824 N TRP A 56 -5.121 2.647 -6.814 1.00 0.00 N ATOM 825 CA TRP A 56 -4.086 3.483 -6.231 1.00 0.00 C ATOM 826 C TRP A 56 -4.731 4.351 -5.149 1.00 0.00 C ATOM 827 O TRP A 56 -5.955 4.452 -5.079 1.00 0.00 O ATOM 828 CB TRP A 56 -3.371 4.302 -7.308 1.00 0.00 C ATOM 829 CG TRP A 56 -2.569 3.459 -8.302 1.00 0.00 C ATOM 830 CD1 TRP A 56 -3.024 2.518 -9.141 1.00 0.00 C ATOM 831 CD2 TRP A 56 -1.145 3.519 -8.526 1.00 0.00 C ATOM 832 NE1 TRP A 56 -2.000 1.970 -9.887 1.00 0.00 N ATOM 833 CE2 TRP A 56 -0.821 2.597 -9.501 1.00 0.00 C ATOM 834 CE3 TRP A 56 -0.161 4.324 -7.924 1.00 0.00 C ATOM 835 CZ2 TRP A 56 0.485 2.394 -9.962 1.00 0.00 C ATOM 836 CZ3 TRP A 56 1.140 4.109 -8.396 1.00 0.00 C ATOM 837 CH2 TRP A 56 1.481 3.186 -9.377 1.00 0.00 C ATOM 0 H TRP A 56 -5.766 3.137 -7.433 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.311 2.871 -5.769 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -4.110 4.886 -7.856 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.699 5.011 -6.824 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.060 2.226 -9.223 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.092 1.239 -10.592 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.391 5.050 -7.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 0.712 1.666 -10.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.934 4.702 -7.967 1.00 0.00 H new ATOM 0 HH2 TRP A 56 2.510 3.080 -9.687 1.00 0.00 H new ATOM 848 N PHE A 57 -3.880 4.955 -4.334 1.00 0.00 N ATOM 849 CA PHE A 57 -4.351 5.812 -3.260 1.00 0.00 C ATOM 850 C PHE A 57 -3.187 6.541 -2.588 1.00 0.00 C ATOM 851 O PHE A 57 -2.033 6.137 -2.726 1.00 0.00 O ATOM 852 CB PHE A 57 -5.031 4.906 -2.231 1.00 0.00 C ATOM 853 CG PHE A 57 -4.070 3.974 -1.491 1.00 0.00 C ATOM 854 CD1 PHE A 57 -3.438 4.404 -0.366 1.00 0.00 C ATOM 855 CD2 PHE A 57 -3.847 2.717 -1.959 1.00 0.00 C ATOM 856 CE1 PHE A 57 -2.545 3.539 0.321 1.00 0.00 C ATOM 857 CE2 PHE A 57 -2.955 1.851 -1.271 1.00 0.00 C ATOM 858 CZ PHE A 57 -2.322 2.281 -0.147 1.00 0.00 C ATOM 0 H PHE A 57 -2.866 4.868 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.034 6.563 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.551 5.528 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.788 4.305 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.615 5.403 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.348 2.377 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.043 3.880 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.780 0.851 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.642 1.624 0.374 1.00 0.00 H new ATOM 868 N PRO A 58 -3.538 7.633 -1.856 1.00 0.00 N ATOM 869 CA PRO A 58 -2.534 8.423 -1.163 1.00 0.00 C ATOM 870 C PRO A 58 -2.037 7.700 0.091 1.00 0.00 C ATOM 871 O PRO A 58 -2.829 7.345 0.962 1.00 0.00 O ATOM 872 CB PRO A 58 -3.218 9.744 -0.854 1.00 0.00 C ATOM 873 CG PRO A 58 -4.710 9.478 -0.969 1.00 0.00 C ATOM 874 CD PRO A 58 -4.894 8.142 -1.671 1.00 0.00 C ATOM 0 HA PRO A 58 -1.638 8.584 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.960 10.093 0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.904 10.519 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.171 9.457 0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -5.197 10.275 -1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.495 7.459 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.406 8.263 -2.626 1.00 0.00 H new ATOM 882 N SER A 59 -0.728 7.504 0.141 1.00 0.00 N ATOM 883 CA SER A 59 -0.115 6.829 1.273 1.00 0.00 C ATOM 884 C SER A 59 0.078 7.815 2.427 1.00 0.00 C ATOM 885 O SER A 59 0.181 7.409 3.584 1.00 0.00 O ATOM 886 CB SER A 59 1.224 6.201 0.882 1.00 0.00 C ATOM 887 OG SER A 59 2.301 7.127 0.993 1.00 0.00 O ATOM 0 H SER A 59 -0.074 7.801 -0.584 1.00 0.00 H new ATOM 0 HA SER A 59 -0.780 6.028 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.420 5.339 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.166 5.833 -0.142 1.00 0.00 H new ATOM 0 HG SER A 59 3.138 6.687 0.736 1.00 0.00 H new ATOM 893 N ASN A 60 0.121 9.091 2.072 1.00 0.00 N ATOM 894 CA ASN A 60 0.300 10.137 3.065 1.00 0.00 C ATOM 895 C ASN A 60 -0.955 10.232 3.933 1.00 0.00 C ATOM 896 O ASN A 60 -0.868 10.482 5.134 1.00 0.00 O ATOM 897 CB ASN A 60 0.518 11.496 2.398 1.00 0.00 C ATOM 898 CG ASN A 60 1.644 12.271 3.086 1.00 0.00 C ATOM 899 OD1 ASN A 60 2.157 11.882 4.122 1.00 0.00 O ATOM 900 ND2 ASN A 60 1.998 13.386 2.453 1.00 0.00 N ATOM 0 H ASN A 60 0.035 9.424 1.112 1.00 0.00 H new ATOM 0 HA ASN A 60 1.174 9.885 3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.761 11.353 1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.404 12.076 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.741 13.974 2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.527 13.653 1.589 1.00 0.00 H new ATOM 907 N TYR A 61 -2.096 10.027 3.291 1.00 0.00 N ATOM 908 CA TYR A 61 -3.369 10.086 3.989 1.00 0.00 C ATOM 909 C TYR A 61 -3.517 8.913 4.960 1.00 0.00 C ATOM 910 O TYR A 61 -3.612 9.112 6.170 1.00 0.00 O ATOM 911 CB TYR A 61 -4.448 9.977 2.910 1.00 0.00 C ATOM 912 CG TYR A 61 -4.696 11.279 2.145 1.00 0.00 C ATOM 913 CD1 TYR A 61 -3.638 11.963 1.583 1.00 0.00 C ATOM 914 CD2 TYR A 61 -5.980 11.771 2.019 1.00 0.00 C ATOM 915 CE1 TYR A 61 -3.872 13.188 0.864 1.00 0.00 C ATOM 916 CE2 TYR A 61 -6.215 12.996 1.299 1.00 0.00 C ATOM 917 CZ TYR A 61 -5.149 13.644 0.758 1.00 0.00 C ATOM 918 OH TYR A 61 -5.370 14.802 0.078 1.00 0.00 O ATOM 0 H TYR A 61 -2.165 9.820 2.295 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.447 11.007 4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.162 9.200 2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.381 9.657 3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.633 11.579 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.808 11.237 2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.052 13.732 0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.215 13.391 1.191 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.329 15.006 0.082 1.00 0.00 H new ATOM 928 N VAL A 62 -3.531 7.716 4.394 1.00 0.00 N ATOM 929 CA VAL A 62 -3.665 6.510 5.195 1.00 0.00 C ATOM 930 C VAL A 62 -2.456 6.383 6.124 1.00 0.00 C ATOM 931 O VAL A 62 -1.381 6.897 5.823 1.00 0.00 O ATOM 932 CB VAL A 62 -3.849 5.295 4.285 1.00 0.00 C ATOM 933 CG1 VAL A 62 -4.902 5.570 3.209 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.519 4.875 3.654 1.00 0.00 C ATOM 0 H VAL A 62 -3.452 7.554 3.390 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.554 6.566 5.823 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.205 4.468 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.013 4.690 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.856 5.798 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.587 6.418 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.678 4.009 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.122 5.699 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.809 4.618 4.440 1.00 0.00 H new ATOM 944 N ARG A 63 -2.674 5.696 7.235 1.00 0.00 N ATOM 945 CA ARG A 63 -1.616 5.495 8.211 1.00 0.00 C ATOM 946 C ARG A 63 -0.944 4.138 7.993 1.00 0.00 C ATOM 947 O ARG A 63 -1.539 3.233 7.410 1.00 0.00 O ATOM 948 CB ARG A 63 -2.163 5.562 9.638 1.00 0.00 C ATOM 949 CG ARG A 63 -1.249 6.399 10.537 1.00 0.00 C ATOM 950 CD ARG A 63 -1.722 6.357 11.991 1.00 0.00 C ATOM 951 NE ARG A 63 -0.977 7.350 12.795 1.00 0.00 N ATOM 952 CZ ARG A 63 -1.109 7.497 14.120 1.00 0.00 C ATOM 953 NH1 ARG A 63 -1.960 6.715 14.798 1.00 0.00 N ATOM 954 NH2 ARG A 63 -0.391 8.425 14.767 1.00 0.00 N ATOM 0 H ARG A 63 -3.568 5.271 7.482 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.885 6.292 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.164 5.994 9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.255 4.555 10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.227 6.025 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.233 7.431 10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.791 6.565 12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.573 5.359 12.402 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.321 7.962 12.310 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.506 6.009 14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.061 6.826 15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.257 9.020 14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.492 8.536 15.776 1.00 0.00 H new ATOM 968 N GLU A 64 0.287 4.039 8.473 1.00 0.00 N ATOM 969 CA GLU A 64 1.047 2.808 8.337 1.00 0.00 C ATOM 970 C GLU A 64 1.007 2.014 9.644 1.00 0.00 C ATOM 971 O GLU A 64 1.135 2.586 10.726 1.00 0.00 O ATOM 972 CB GLU A 64 2.488 3.097 7.914 1.00 0.00 C ATOM 973 CG GLU A 64 3.403 1.914 8.241 1.00 0.00 C ATOM 974 CD GLU A 64 4.342 1.608 7.073 1.00 0.00 C ATOM 975 OE1 GLU A 64 3.881 1.755 5.920 1.00 0.00 O ATOM 976 OE2 GLU A 64 5.500 1.235 7.358 1.00 0.00 O ATOM 0 H GLU A 64 0.777 4.791 8.957 1.00 0.00 H new ATOM 0 HA GLU A 64 0.588 2.205 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.522 3.303 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.848 3.991 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.988 2.138 9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.800 1.035 8.467 1.00 0.00 H new ATOM 983 N ILE A 65 0.831 0.709 9.501 1.00 0.00 N ATOM 984 CA ILE A 65 0.773 -0.170 10.657 1.00 0.00 C ATOM 985 C ILE A 65 2.099 -0.921 10.789 1.00 0.00 C ATOM 986 O ILE A 65 2.615 -1.089 11.893 1.00 0.00 O ATOM 987 CB ILE A 65 -0.448 -1.089 10.572 1.00 0.00 C ATOM 988 CG1 ILE A 65 -1.728 -0.281 10.349 1.00 0.00 C ATOM 989 CG2 ILE A 65 -0.545 -1.988 11.806 1.00 0.00 C ATOM 990 CD1 ILE A 65 -2.029 0.612 11.555 1.00 0.00 C ATOM 0 H ILE A 65 0.727 0.239 8.602 1.00 0.00 H new ATOM 0 HA ILE A 65 0.643 0.411 11.570 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.325 -1.742 9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.624 0.333 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.564 -0.958 10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.421 -2.631 11.720 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.351 -2.604 11.879 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.634 -1.371 12.700 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.944 1.176 11.371 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.157 -0.007 12.443 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.201 1.304 11.711 1.00 0.00 H new ATOM 1002 N LYS A 66 2.614 -1.352 9.647 1.00 0.00 N ATOM 1003 CA LYS A 66 3.871 -2.080 9.620 1.00 0.00 C ATOM 1004 C LYS A 66 5.007 -1.146 10.041 1.00 0.00 C ATOM 1005 O LYS A 66 5.371 -0.233 9.300 1.00 0.00 O ATOM 1006 CB LYS A 66 4.085 -2.730 8.252 1.00 0.00 C ATOM 1007 CG LYS A 66 3.241 -4.000 8.110 1.00 0.00 C ATOM 1008 CD LYS A 66 4.114 -5.200 7.736 1.00 0.00 C ATOM 1009 CE LYS A 66 4.676 -5.880 8.986 1.00 0.00 C ATOM 1010 NZ LYS A 66 4.935 -7.314 8.723 1.00 0.00 N ATOM 0 H LYS A 66 2.183 -1.211 8.733 1.00 0.00 H new ATOM 0 HA LYS A 66 3.850 -2.900 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.821 -2.024 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.139 -2.973 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.721 -4.202 9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.477 -3.850 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.527 -5.916 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.933 -4.873 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.599 -5.387 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.972 -5.777 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.316 -7.761 9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.047 -7.783 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.624 -7.406 7.950 1.00 0.00 H new ATOM 1024 N SER A 67 5.535 -1.405 11.227 1.00 0.00 N ATOM 1025 CA SER A 67 6.623 -0.597 11.756 1.00 0.00 C ATOM 1026 C SER A 67 7.957 -1.081 11.186 1.00 0.00 C ATOM 1027 O SER A 67 8.974 -0.400 11.312 1.00 0.00 O ATOM 1028 CB SER A 67 6.650 -0.643 13.284 1.00 0.00 C ATOM 1029 OG SER A 67 6.023 0.499 13.864 1.00 0.00 O ATOM 0 H SER A 67 5.231 -2.163 11.838 1.00 0.00 H new ATOM 0 HA SER A 67 6.460 0.438 11.454 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.147 -1.547 13.628 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.683 -0.703 13.627 1.00 0.00 H new ATOM 0 HG SER A 67 6.059 0.431 14.841 1.00 0.00 H new ATOM 1035 N SER A 68 7.912 -2.254 10.571 1.00 0.00 N ATOM 1036 CA SER A 68 9.106 -2.837 9.982 1.00 0.00 C ATOM 1037 C SER A 68 9.207 -2.442 8.507 1.00 0.00 C ATOM 1038 O SER A 68 10.228 -2.685 7.865 1.00 0.00 O ATOM 1039 CB SER A 68 9.103 -4.360 10.124 1.00 0.00 C ATOM 1040 OG SER A 68 8.008 -4.959 9.434 1.00 0.00 O ATOM 0 H SER A 68 7.067 -2.816 10.468 1.00 0.00 H new ATOM 0 HA SER A 68 9.974 -2.451 10.516 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.039 -4.762 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.055 -4.626 11.180 1.00 0.00 H new ATOM 0 HG SER A 68 8.043 -5.932 9.547 1.00 0.00 H new ATOM 1046 N GLU A 69 8.136 -1.840 8.014 1.00 0.00 N ATOM 1047 CA GLU A 69 8.092 -1.408 6.626 1.00 0.00 C ATOM 1048 C GLU A 69 8.634 0.017 6.497 1.00 0.00 C ATOM 1049 O GLU A 69 9.283 0.349 5.506 1.00 0.00 O ATOM 1050 CB GLU A 69 6.672 -1.508 6.066 1.00 0.00 C ATOM 1051 CG GLU A 69 6.346 -2.945 5.651 1.00 0.00 C ATOM 1052 CD GLU A 69 6.958 -3.273 4.288 1.00 0.00 C ATOM 1053 OE1 GLU A 69 8.089 -2.800 4.043 1.00 0.00 O ATOM 1054 OE2 GLU A 69 6.280 -3.991 3.520 1.00 0.00 O ATOM 0 H GLU A 69 7.291 -1.641 8.550 1.00 0.00 H new ATOM 0 HA GLU A 69 8.726 -2.072 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.957 -1.171 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.569 -0.845 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.726 -3.639 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.265 -3.079 5.610 1.00 0.00 H new ATOM 1061 N ARG A 70 8.348 0.819 7.510 1.00 0.00 N ATOM 1062 CA ARG A 70 8.799 2.201 7.521 1.00 0.00 C ATOM 1063 C ARG A 70 10.321 2.262 7.659 1.00 0.00 C ATOM 1064 O ARG A 70 10.978 3.058 6.990 1.00 0.00 O ATOM 1065 CB ARG A 70 8.157 2.980 8.672 1.00 0.00 C ATOM 1066 CG ARG A 70 7.049 3.901 8.159 1.00 0.00 C ATOM 1067 CD ARG A 70 6.719 4.987 9.187 1.00 0.00 C ATOM 1068 NE ARG A 70 5.810 4.444 10.221 1.00 0.00 N ATOM 1069 CZ ARG A 70 5.135 5.199 11.099 1.00 0.00 C ATOM 1070 NH1 ARG A 70 5.263 6.532 11.073 1.00 0.00 N ATOM 1071 NH2 ARG A 70 4.333 4.620 12.002 1.00 0.00 N ATOM 0 H ARG A 70 7.809 0.539 8.330 1.00 0.00 H new ATOM 0 HA ARG A 70 8.499 2.656 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.747 2.283 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.917 3.570 9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.360 4.364 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.155 3.316 7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.636 5.351 9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.253 5.839 8.692 1.00 0.00 H new ATOM 0 HE ARG A 70 5.690 3.432 10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.874 6.972 10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.749 7.107 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.236 3.605 12.021 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.819 5.194 12.670 1.00 0.00 H new ATOM 1085 N SER A 71 10.839 1.409 8.532 1.00 0.00 N ATOM 1086 CA SER A 71 12.271 1.356 8.766 1.00 0.00 C ATOM 1087 C SER A 71 12.912 0.308 7.855 1.00 0.00 C ATOM 1088 O SER A 71 14.062 -0.078 8.059 1.00 0.00 O ATOM 1089 CB SER A 71 12.579 1.043 10.232 1.00 0.00 C ATOM 1090 OG SER A 71 12.358 -0.330 10.543 1.00 0.00 O ATOM 0 H SER A 71 10.292 0.750 9.085 1.00 0.00 H new ATOM 0 HA SER A 71 12.691 2.335 8.535 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.616 1.301 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.955 1.665 10.874 1.00 0.00 H new ATOM 0 HG SER A 71 12.567 -0.489 11.487 1.00 0.00 H new ATOM 1096 N GLY A 72 12.140 -0.124 6.868 1.00 0.00 N ATOM 1097 CA GLY A 72 12.618 -1.120 5.925 1.00 0.00 C ATOM 1098 C GLY A 72 11.632 -1.297 4.768 1.00 0.00 C ATOM 1099 O GLY A 72 10.625 -1.991 4.905 1.00 0.00 O ATOM 0 H GLY A 72 11.187 0.198 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.591 -0.820 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.759 -2.072 6.436 1.00 0.00 H new ATOM 1103 N PRO A 73 11.964 -0.640 3.624 1.00 0.00 N ATOM 1104 CA PRO A 73 11.120 -0.719 2.443 1.00 0.00 C ATOM 1105 C PRO A 73 11.271 -2.074 1.751 1.00 0.00 C ATOM 1106 O PRO A 73 11.873 -2.165 0.682 1.00 0.00 O ATOM 1107 CB PRO A 73 11.556 0.446 1.571 1.00 0.00 C ATOM 1108 CG PRO A 73 12.932 0.853 2.074 1.00 0.00 C ATOM 1109 CD PRO A 73 13.148 0.190 3.425 1.00 0.00 C ATOM 0 HA PRO A 73 10.058 -0.648 2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.595 0.155 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.852 1.275 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.703 0.543 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.000 1.937 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.058 -0.410 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.250 0.931 4.218 1.00 0.00 H new ATOM 1117 N SER A 74 10.713 -3.093 2.387 1.00 0.00 N ATOM 1118 CA SER A 74 10.777 -4.440 1.845 1.00 0.00 C ATOM 1119 C SER A 74 12.143 -5.061 2.147 1.00 0.00 C ATOM 1120 O SER A 74 13.050 -5.008 1.319 1.00 0.00 O ATOM 1121 CB SER A 74 10.516 -4.440 0.338 1.00 0.00 C ATOM 1122 OG SER A 74 9.545 -5.413 -0.035 1.00 0.00 O ATOM 0 H SER A 74 10.214 -3.013 3.273 1.00 0.00 H new ATOM 0 HA SER A 74 10.000 -5.038 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.176 -3.452 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.448 -4.637 -0.191 1.00 0.00 H new ATOM 0 HG SER A 74 9.482 -5.455 -1.012 1.00 0.00 H new ATOM 1128 N SER A 75 12.246 -5.634 3.337 1.00 0.00 N ATOM 1129 CA SER A 75 13.485 -6.265 3.758 1.00 0.00 C ATOM 1130 C SER A 75 13.213 -7.698 4.221 1.00 0.00 C ATOM 1131 O SER A 75 12.120 -8.003 4.698 1.00 0.00 O ATOM 1132 CB SER A 75 14.157 -5.465 4.876 1.00 0.00 C ATOM 1133 OG SER A 75 15.395 -6.047 5.278 1.00 0.00 O ATOM 0 H SER A 75 11.492 -5.674 4.023 1.00 0.00 H new ATOM 0 HA SER A 75 14.163 -6.289 2.905 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.329 -4.443 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.487 -5.408 5.734 1.00 0.00 H new ATOM 0 HG SER A 75 15.794 -5.507 5.992 1.00 0.00 H new ATOM 1139 N GLY A 76 14.225 -8.539 4.065 1.00 0.00 N ATOM 1140 CA GLY A 76 14.108 -9.932 4.462 1.00 0.00 C ATOM 1141 C GLY A 76 13.301 -10.069 5.754 1.00 0.00 C ATOM 1142 O GLY A 76 13.844 -10.437 6.795 1.00 0.00 O ATOM 0 H GLY A 76 15.129 -8.283 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.627 -10.501 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.101 -10.358 4.603 1.00 0.00 H new TER 1146 GLY A 76