USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 734 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 48 SER OG : rot 180:sc= -0.153 USER MOD Set 1.2: A 51 GLN : amide:sc= -0.399 K(o=-0.55,f=-2.6!) USER MOD Set 2.1: A 38 LYS NZ :NH3+ 156:sc= -2.98 (180deg=-4.82!) USER MOD Set 2.2: A 53 CYS SG : rot -160:sc= -0.589 USER MOD Set 3.1: A 7 HIS : no HD1:sc= -0.816 K(o=-0.3,f=-3.8) USER MOD Set 3.2: A 9 SER OG : rot -12:sc= 0.513 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00442) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.188 (180deg=-0.828) USER MOD Single : A 3 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.2!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.43) USER MOD Single : A 6 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.2) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.031 (180deg=-0.402) USER MOD Single : A 16 SER OG : rot -33:sc= 0.788 USER MOD Single : A 18 GLN : amide:sc=-0.00197 K(o=-0.002,f=-1.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.051) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0509 K(o=-0.051,f=-2.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -170:sc= -0.45 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 78:sc= 0.226 USER MOD Single : A 43 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.3) USER MOD Single : A 44 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.35) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc=-0.00378 X(o=-0.0038,f=-0.24) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.015 F(o=-1.1,f=-0.015) USER MOD Single : A 58 ASN : amide:sc= -0.0426 K(o=-0.043,f=-3) USER MOD Single : A 67 MET CE :methyl -103:sc= 0 (180deg=-1.39) USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= -0.203 (180deg=-0.812) USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= -4.38! (180deg=-4.62!) USER MOD Single : A 76 ASN : amide:sc= -7.89! C(o=-7.9!,f=-7.6!) USER MOD Single : A 77 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -85:sc= 1.07 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 85:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.996 19.999 7.539 1.00 0.00 N ATOM 2 CA MET A 1 13.800 18.583 7.122 1.00 0.00 C ATOM 3 C MET A 1 14.289 18.395 5.681 1.00 0.00 C ATOM 4 O MET A 1 13.791 19.008 4.759 1.00 0.00 O ATOM 5 CB MET A 1 12.309 18.218 7.215 1.00 0.00 C ATOM 6 CG MET A 1 11.453 19.421 6.803 1.00 0.00 C ATOM 7 SD MET A 1 9.703 18.952 6.815 1.00 0.00 S ATOM 8 CE MET A 1 9.627 18.264 5.142 1.00 0.00 C ATOM 0 H1 MET A 1 13.405 20.201 8.371 1.00 0.00 H new ATOM 0 H2 MET A 1 14.996 20.155 7.779 1.00 0.00 H new ATOM 0 H3 MET A 1 13.724 20.631 6.759 1.00 0.00 H new ATOM 0 HA MET A 1 14.372 17.932 7.783 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.092 17.368 6.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.062 17.916 8.233 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.622 20.252 7.487 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.742 19.763 5.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.604 17.959 4.920 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.944 19.020 4.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.287 17.399 5.074 1.00 0.00 H new ATOM 20 N GLY A 2 15.254 17.538 5.485 1.00 0.00 N ATOM 21 CA GLY A 2 15.770 17.287 4.109 1.00 0.00 C ATOM 22 C GLY A 2 16.778 18.365 3.710 1.00 0.00 C ATOM 23 O GLY A 2 17.008 19.316 4.429 1.00 0.00 O ATOM 0 H GLY A 2 15.709 16.999 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.242 16.305 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.942 17.275 3.400 1.00 0.00 H new ATOM 27 N HIS A 3 17.387 18.217 2.563 1.00 0.00 N ATOM 28 CA HIS A 3 18.392 19.220 2.104 1.00 0.00 C ATOM 29 C HIS A 3 17.691 20.356 1.349 1.00 0.00 C ATOM 30 O HIS A 3 16.859 20.133 0.493 1.00 0.00 O ATOM 31 CB HIS A 3 19.413 18.529 1.182 1.00 0.00 C ATOM 32 CG HIS A 3 20.704 19.305 1.178 1.00 0.00 C ATOM 33 ND1 HIS A 3 21.374 19.623 0.008 1.00 0.00 N ATOM 34 CD2 HIS A 3 21.455 19.840 2.196 1.00 0.00 C ATOM 35 CE1 HIS A 3 22.475 20.320 0.347 1.00 0.00 C ATOM 36 NE2 HIS A 3 22.571 20.480 1.669 1.00 0.00 N ATOM 0 H HIS A 3 17.230 17.440 1.921 1.00 0.00 H new ATOM 0 HA HIS A 3 18.907 19.639 2.968 1.00 0.00 H new ATOM 0 HB2 HIS A 3 19.592 17.509 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 3 19.015 18.462 0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 3 21.215 19.774 3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 3 23.193 20.703 -0.364 1.00 0.00 H new ATOM 0 HE2 HIS A 3 23.306 20.967 2.182 1.00 0.00 H new ATOM 44 N HIS A 4 18.030 21.576 1.666 1.00 0.00 N ATOM 45 CA HIS A 4 17.404 22.740 0.982 1.00 0.00 C ATOM 46 C HIS A 4 17.817 22.759 -0.494 1.00 0.00 C ATOM 47 O HIS A 4 17.032 23.078 -1.365 1.00 0.00 O ATOM 48 CB HIS A 4 17.888 24.026 1.655 1.00 0.00 C ATOM 49 CG HIS A 4 17.368 24.093 3.065 1.00 0.00 C ATOM 50 ND1 HIS A 4 16.046 24.393 3.354 1.00 0.00 N ATOM 51 CD2 HIS A 4 17.985 23.914 4.280 1.00 0.00 C ATOM 52 CE1 HIS A 4 15.912 24.390 4.693 1.00 0.00 C ATOM 53 NE2 HIS A 4 17.063 24.102 5.306 1.00 0.00 N ATOM 0 H HIS A 4 18.721 21.817 2.377 1.00 0.00 H new ATOM 0 HA HIS A 4 16.319 22.664 1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 4 18.978 24.057 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 4 17.546 24.893 1.090 1.00 0.00 H new ATOM 0 HD2 HIS A 4 19.027 23.665 4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 4 14.986 24.596 5.209 1.00 0.00 H new ATOM 0 HE2 HIS A 4 17.231 24.034 6.310 1.00 0.00 H new ATOM 61 N HIS A 5 19.048 22.434 -0.781 1.00 0.00 N ATOM 62 CA HIS A 5 19.517 22.448 -2.196 1.00 0.00 C ATOM 63 C HIS A 5 18.695 21.460 -3.032 1.00 0.00 C ATOM 64 O HIS A 5 18.268 21.769 -4.125 1.00 0.00 O ATOM 65 CB HIS A 5 20.993 22.052 -2.242 1.00 0.00 C ATOM 66 CG HIS A 5 21.510 22.189 -3.647 1.00 0.00 C ATOM 67 ND1 HIS A 5 21.469 21.143 -4.553 1.00 0.00 N ATOM 68 CD2 HIS A 5 22.082 23.243 -4.315 1.00 0.00 C ATOM 69 CE1 HIS A 5 22.001 21.584 -5.707 1.00 0.00 C ATOM 70 NE2 HIS A 5 22.391 22.859 -5.616 1.00 0.00 N ATOM 0 H HIS A 5 19.751 22.159 -0.095 1.00 0.00 H new ATOM 0 HA HIS A 5 19.391 23.450 -2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 5 21.571 22.685 -1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 5 21.115 21.025 -1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 5 22.264 24.221 -3.895 1.00 0.00 H new ATOM 0 HE1 HIS A 5 22.101 20.982 -6.598 1.00 0.00 H new ATOM 0 HE2 HIS A 5 22.823 23.428 -6.344 1.00 0.00 H new ATOM 78 N HIS A 6 18.469 20.275 -2.532 1.00 0.00 N ATOM 79 CA HIS A 6 17.672 19.284 -3.311 1.00 0.00 C ATOM 80 C HIS A 6 17.284 18.105 -2.408 1.00 0.00 C ATOM 81 O HIS A 6 18.121 17.493 -1.777 1.00 0.00 O ATOM 82 CB HIS A 6 18.500 18.789 -4.502 1.00 0.00 C ATOM 83 CG HIS A 6 17.738 17.719 -5.236 1.00 0.00 C ATOM 84 ND1 HIS A 6 16.642 18.006 -6.034 1.00 0.00 N ATOM 85 CD2 HIS A 6 17.905 16.359 -5.302 1.00 0.00 C ATOM 86 CE1 HIS A 6 16.197 16.841 -6.543 1.00 0.00 C ATOM 87 NE2 HIS A 6 16.933 15.806 -6.128 1.00 0.00 N ATOM 0 H HIS A 6 18.800 19.951 -1.623 1.00 0.00 H new ATOM 0 HA HIS A 6 16.762 19.756 -3.680 1.00 0.00 H new ATOM 0 HB2 HIS A 6 18.721 19.618 -5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 6 19.456 18.396 -4.155 1.00 0.00 H new ATOM 0 HD2 HIS A 6 18.675 15.802 -4.790 1.00 0.00 H new ATOM 0 HE1 HIS A 6 15.349 16.754 -7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 6 16.809 14.822 -6.366 1.00 0.00 H new ATOM 95 N HIS A 7 16.015 17.800 -2.335 1.00 0.00 N ATOM 96 CA HIS A 7 15.549 16.677 -1.466 1.00 0.00 C ATOM 97 C HIS A 7 15.808 15.336 -2.157 1.00 0.00 C ATOM 98 O HIS A 7 16.025 15.275 -3.350 1.00 0.00 O ATOM 99 CB HIS A 7 14.050 16.846 -1.213 1.00 0.00 C ATOM 100 CG HIS A 7 13.555 15.766 -0.292 1.00 0.00 C ATOM 101 ND1 HIS A 7 13.863 15.745 1.059 1.00 0.00 N ATOM 102 CD2 HIS A 7 12.749 14.676 -0.509 1.00 0.00 C ATOM 103 CE1 HIS A 7 13.251 14.673 1.597 1.00 0.00 C ATOM 104 NE2 HIS A 7 12.558 13.988 0.685 1.00 0.00 N ATOM 0 H HIS A 7 15.275 18.284 -2.844 1.00 0.00 H new ATOM 0 HA HIS A 7 16.092 16.692 -0.521 1.00 0.00 H new ATOM 0 HB2 HIS A 7 13.856 17.825 -0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 7 13.507 16.806 -2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 7 12.327 14.395 -1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 7 13.313 14.401 2.640 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.007 13.142 0.832 1.00 0.00 H new ATOM 112 N HIS A 8 15.793 14.256 -1.409 1.00 0.00 N ATOM 113 CA HIS A 8 16.047 12.906 -2.007 1.00 0.00 C ATOM 114 C HIS A 8 15.022 11.897 -1.481 1.00 0.00 C ATOM 115 O HIS A 8 14.666 11.905 -0.320 1.00 0.00 O ATOM 116 CB HIS A 8 17.451 12.448 -1.616 1.00 0.00 C ATOM 117 CG HIS A 8 17.741 11.115 -2.244 1.00 0.00 C ATOM 118 ND1 HIS A 8 18.010 10.978 -3.596 1.00 0.00 N ATOM 119 CD2 HIS A 8 17.808 9.850 -1.718 1.00 0.00 C ATOM 120 CE1 HIS A 8 18.224 9.671 -3.834 1.00 0.00 C ATOM 121 NE2 HIS A 8 18.114 8.939 -2.723 1.00 0.00 N ATOM 0 H HIS A 8 15.615 14.253 -0.405 1.00 0.00 H new ATOM 0 HA HIS A 8 15.960 12.969 -3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 8 18.188 13.182 -1.942 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.532 12.375 -0.531 1.00 0.00 H new ATOM 0 HD2 HIS A 8 17.647 9.599 -0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 8 18.457 9.263 -4.807 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.229 7.930 -2.631 1.00 0.00 H new ATOM 129 N SER A 9 14.549 11.024 -2.332 1.00 0.00 N ATOM 130 CA SER A 9 13.552 10.009 -1.890 1.00 0.00 C ATOM 131 C SER A 9 13.439 8.915 -2.955 1.00 0.00 C ATOM 132 O SER A 9 13.230 9.188 -4.120 1.00 0.00 O ATOM 133 CB SER A 9 12.188 10.675 -1.696 1.00 0.00 C ATOM 134 OG SER A 9 12.276 11.636 -0.652 1.00 0.00 O ATOM 0 H SER A 9 14.812 10.972 -3.316 1.00 0.00 H new ATOM 0 HA SER A 9 13.875 9.571 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.871 11.155 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.436 9.925 -1.452 1.00 0.00 H new ATOM 0 HG SER A 9 13.120 11.517 -0.168 1.00 0.00 H new ATOM 140 N HIS A 10 13.580 7.677 -2.567 1.00 0.00 N ATOM 141 CA HIS A 10 13.482 6.565 -3.553 1.00 0.00 C ATOM 142 C HIS A 10 12.092 6.564 -4.196 1.00 0.00 C ATOM 143 O HIS A 10 11.948 6.365 -5.386 1.00 0.00 O ATOM 144 CB HIS A 10 13.709 5.233 -2.833 1.00 0.00 C ATOM 145 CG HIS A 10 15.173 5.056 -2.524 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.784 5.674 -1.445 1.00 0.00 N ATOM 147 CD2 HIS A 10 16.156 4.322 -3.142 1.00 0.00 C ATOM 148 CE1 HIS A 10 17.079 5.304 -1.446 1.00 0.00 C ATOM 149 NE2 HIS A 10 17.358 4.480 -2.459 1.00 0.00 N ATOM 0 H HIS A 10 13.760 7.387 -1.606 1.00 0.00 H new ATOM 0 HA HIS A 10 14.236 6.700 -4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.129 5.205 -1.911 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.358 4.410 -3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.017 3.715 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.804 5.634 -0.716 1.00 0.00 H new ATOM 0 HE2 HIS A 10 18.259 4.057 -2.684 1.00 0.00 H new ATOM 157 N MET A 11 11.063 6.776 -3.417 1.00 0.00 N ATOM 158 CA MET A 11 9.679 6.779 -3.983 1.00 0.00 C ATOM 159 C MET A 11 8.779 7.685 -3.136 1.00 0.00 C ATOM 160 O MET A 11 9.004 8.872 -3.023 1.00 0.00 O ATOM 161 CB MET A 11 9.117 5.354 -3.963 1.00 0.00 C ATOM 162 CG MET A 11 9.328 4.722 -2.574 1.00 0.00 C ATOM 163 SD MET A 11 10.916 3.860 -2.536 1.00 0.00 S ATOM 164 CE MET A 11 10.318 2.284 -3.187 1.00 0.00 C ATOM 0 H MET A 11 11.120 6.947 -2.413 1.00 0.00 H new ATOM 0 HA MET A 11 9.710 7.149 -5.008 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.055 5.370 -4.206 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.609 4.750 -4.725 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.303 5.494 -1.805 1.00 0.00 H new ATOM 0 HG3 MET A 11 8.519 4.025 -2.353 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.147 1.579 -3.252 1.00 0.00 H new ATOM 0 HE2 MET A 11 9.552 1.883 -2.523 1.00 0.00 H new ATOM 0 HE3 MET A 11 9.893 2.438 -4.179 1.00 0.00 H new ATOM 174 N LEU A 12 7.757 7.128 -2.540 1.00 0.00 N ATOM 175 CA LEU A 12 6.838 7.944 -1.702 1.00 0.00 C ATOM 176 C LEU A 12 7.418 8.046 -0.281 1.00 0.00 C ATOM 177 O LEU A 12 8.109 7.154 0.167 1.00 0.00 O ATOM 178 CB LEU A 12 5.467 7.261 -1.642 1.00 0.00 C ATOM 179 CG LEU A 12 5.039 6.828 -3.047 1.00 0.00 C ATOM 180 CD1 LEU A 12 3.692 6.108 -2.961 1.00 0.00 C ATOM 181 CD2 LEU A 12 4.903 8.061 -3.947 1.00 0.00 C ATOM 0 H LEU A 12 7.521 6.138 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 12 6.730 8.940 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.511 6.394 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.729 7.944 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 12 5.789 6.158 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.381 5.797 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.788 5.231 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.945 6.782 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.598 7.750 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.153 8.734 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.861 8.577 -4.004 1.00 0.00 H new ATOM 193 N PRO A 13 7.132 9.111 0.436 1.00 0.00 N ATOM 194 CA PRO A 13 7.638 9.287 1.830 1.00 0.00 C ATOM 195 C PRO A 13 7.523 8.004 2.669 1.00 0.00 C ATOM 196 O PRO A 13 6.611 7.219 2.510 1.00 0.00 O ATOM 197 CB PRO A 13 6.723 10.382 2.400 1.00 0.00 C ATOM 198 CG PRO A 13 6.305 11.203 1.218 1.00 0.00 C ATOM 199 CD PRO A 13 6.326 10.270 -0.002 1.00 0.00 C ATOM 0 HA PRO A 13 8.698 9.539 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.859 9.949 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.249 10.991 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.309 11.619 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.983 12.044 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.319 9.968 -0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.771 10.759 -0.869 1.00 0.00 H new ATOM 207 N LYS A 14 8.455 7.796 3.561 1.00 0.00 N ATOM 208 CA LYS A 14 8.426 6.579 4.421 1.00 0.00 C ATOM 209 C LYS A 14 7.159 6.580 5.280 1.00 0.00 C ATOM 210 O LYS A 14 6.550 5.554 5.503 1.00 0.00 O ATOM 211 CB LYS A 14 9.658 6.580 5.332 1.00 0.00 C ATOM 212 CG LYS A 14 10.919 6.352 4.496 1.00 0.00 C ATOM 213 CD LYS A 14 12.148 6.359 5.408 1.00 0.00 C ATOM 214 CE LYS A 14 13.398 6.036 4.586 1.00 0.00 C ATOM 215 NZ LYS A 14 13.598 7.089 3.550 1.00 0.00 N ATOM 0 H LYS A 14 9.241 8.423 3.731 1.00 0.00 H new ATOM 0 HA LYS A 14 8.431 5.689 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.729 7.529 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.565 5.799 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.851 5.401 3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.011 7.131 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.255 7.334 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.026 5.627 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.270 5.981 5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.292 5.060 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.577 7.052 3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.942 6.927 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.414 8.024 3.966 1.00 0.00 H new ATOM 229 N GLU A 15 6.763 7.720 5.768 1.00 0.00 N ATOM 230 CA GLU A 15 5.542 7.786 6.618 1.00 0.00 C ATOM 231 C GLU A 15 4.335 7.249 5.838 1.00 0.00 C ATOM 232 O GLU A 15 3.580 6.434 6.331 1.00 0.00 O ATOM 233 CB GLU A 15 5.283 9.247 6.996 1.00 0.00 C ATOM 234 CG GLU A 15 6.447 9.780 7.837 1.00 0.00 C ATOM 235 CD GLU A 15 6.505 9.034 9.170 1.00 0.00 C ATOM 236 OE1 GLU A 15 5.504 8.441 9.540 1.00 0.00 O ATOM 237 OE2 GLU A 15 7.548 9.069 9.801 1.00 0.00 O ATOM 0 H GLU A 15 7.233 8.612 5.615 1.00 0.00 H new ATOM 0 HA GLU A 15 5.688 7.183 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.167 9.850 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.351 9.328 7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.386 9.653 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.322 10.848 8.013 1.00 0.00 H new ATOM 244 N SER A 16 4.149 7.696 4.626 1.00 0.00 N ATOM 245 CA SER A 16 2.992 7.209 3.820 1.00 0.00 C ATOM 246 C SER A 16 3.167 5.716 3.527 1.00 0.00 C ATOM 247 O SER A 16 2.228 4.946 3.566 1.00 0.00 O ATOM 248 CB SER A 16 2.940 7.979 2.503 1.00 0.00 C ATOM 249 OG SER A 16 4.159 7.782 1.798 1.00 0.00 O ATOM 0 H SER A 16 4.748 8.377 4.159 1.00 0.00 H new ATOM 0 HA SER A 16 2.067 7.365 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.098 7.637 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.784 9.041 2.695 1.00 0.00 H new ATOM 0 HG SER A 16 4.897 7.696 2.438 1.00 0.00 H new ATOM 255 N VAL A 17 4.371 5.308 3.234 1.00 0.00 N ATOM 256 CA VAL A 17 4.633 3.873 2.939 1.00 0.00 C ATOM 257 C VAL A 17 4.400 3.037 4.201 1.00 0.00 C ATOM 258 O VAL A 17 3.826 1.969 4.153 1.00 0.00 O ATOM 259 CB VAL A 17 6.081 3.716 2.471 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.423 2.231 2.332 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.255 4.406 1.114 1.00 0.00 C ATOM 0 H VAL A 17 5.191 5.913 3.186 1.00 0.00 H new ATOM 0 HA VAL A 17 3.957 3.528 2.156 1.00 0.00 H new ATOM 0 HB VAL A 17 6.747 4.172 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.455 2.125 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.301 1.738 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.757 1.771 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.286 4.295 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.586 3.949 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.017 5.465 1.211 1.00 0.00 H new ATOM 271 N GLN A 18 4.851 3.514 5.328 1.00 0.00 N ATOM 272 CA GLN A 18 4.667 2.746 6.591 1.00 0.00 C ATOM 273 C GLN A 18 3.180 2.465 6.813 1.00 0.00 C ATOM 274 O GLN A 18 2.792 1.371 7.175 1.00 0.00 O ATOM 275 CB GLN A 18 5.203 3.574 7.763 1.00 0.00 C ATOM 276 CG GLN A 18 5.049 2.780 9.063 1.00 0.00 C ATOM 277 CD GLN A 18 5.739 3.527 10.206 1.00 0.00 C ATOM 278 OE1 GLN A 18 6.536 4.417 9.975 1.00 0.00 O ATOM 279 NE2 GLN A 18 5.466 3.200 11.440 1.00 0.00 N ATOM 0 H GLN A 18 5.340 4.404 5.429 1.00 0.00 H new ATOM 0 HA GLN A 18 5.207 1.802 6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.252 3.821 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.661 4.517 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.993 2.640 9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.485 1.787 8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.798 2.454 11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.921 3.691 12.210 1.00 0.00 H new ATOM 288 N ILE A 19 2.342 3.441 6.599 1.00 0.00 N ATOM 289 CA ILE A 19 0.884 3.226 6.796 1.00 0.00 C ATOM 290 C ILE A 19 0.379 2.193 5.783 1.00 0.00 C ATOM 291 O ILE A 19 -0.368 1.293 6.113 1.00 0.00 O ATOM 292 CB ILE A 19 0.160 4.557 6.577 1.00 0.00 C ATOM 293 CG1 ILE A 19 0.543 5.535 7.692 1.00 0.00 C ATOM 294 CG2 ILE A 19 -1.355 4.337 6.594 1.00 0.00 C ATOM 295 CD1 ILE A 19 0.071 6.946 7.326 1.00 0.00 C ATOM 0 H ILE A 19 2.606 4.379 6.296 1.00 0.00 H new ATOM 0 HA ILE A 19 0.692 2.860 7.805 1.00 0.00 H new ATOM 0 HB ILE A 19 0.452 4.968 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.091 5.223 8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.623 5.529 7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.863 5.289 6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.631 3.644 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.652 3.922 7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.345 7.639 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.543 7.258 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.012 6.947 7.201 1.00 0.00 H new ATOM 307 N LEU A 20 0.785 2.321 4.549 1.00 0.00 N ATOM 308 CA LEU A 20 0.339 1.360 3.501 1.00 0.00 C ATOM 309 C LEU A 20 0.901 -0.035 3.797 1.00 0.00 C ATOM 310 O LEU A 20 0.222 -1.033 3.663 1.00 0.00 O ATOM 311 CB LEU A 20 0.850 1.840 2.140 1.00 0.00 C ATOM 312 CG LEU A 20 0.148 3.153 1.749 1.00 0.00 C ATOM 313 CD1 LEU A 20 0.818 3.732 0.499 1.00 0.00 C ATOM 314 CD2 LEU A 20 -1.349 2.905 1.472 1.00 0.00 C ATOM 0 H LEU A 20 1.411 3.056 4.220 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.750 1.307 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.929 1.992 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.664 1.078 1.383 1.00 0.00 H new ATOM 0 HG LEU A 20 0.234 3.860 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.324 4.662 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.870 3.929 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.738 3.018 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.829 3.844 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.454 2.191 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.823 2.504 2.368 1.00 0.00 H new ATOM 326 N ARG A 21 2.142 -0.109 4.193 1.00 0.00 N ATOM 327 CA ARG A 21 2.766 -1.428 4.497 1.00 0.00 C ATOM 328 C ARG A 21 2.084 -2.058 5.714 1.00 0.00 C ATOM 329 O ARG A 21 1.828 -3.243 5.752 1.00 0.00 O ATOM 330 CB ARG A 21 4.252 -1.216 4.793 1.00 0.00 C ATOM 331 CG ARG A 21 4.942 -2.566 5.014 1.00 0.00 C ATOM 332 CD ARG A 21 6.400 -2.330 5.414 1.00 0.00 C ATOM 333 NE ARG A 21 7.142 -1.705 4.280 1.00 0.00 N ATOM 334 CZ ARG A 21 7.668 -2.450 3.346 1.00 0.00 C ATOM 335 NH1 ARG A 21 7.532 -3.747 3.387 1.00 0.00 N ATOM 336 NH2 ARG A 21 8.329 -1.897 2.366 1.00 0.00 N ATOM 0 H ARG A 21 2.756 0.696 4.320 1.00 0.00 H new ATOM 0 HA ARG A 21 2.649 -2.095 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.724 -0.689 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.369 -0.590 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.426 -3.128 5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.895 -3.165 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.446 -1.684 6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.868 -3.275 5.690 1.00 0.00 H new ATOM 0 HE ARG A 21 7.239 -0.691 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.013 -4.182 4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.944 -4.326 2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.434 -0.883 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.740 -2.479 1.636 1.00 0.00 H new ATOM 350 N ASP A 22 1.798 -1.271 6.711 1.00 0.00 N ATOM 351 CA ASP A 22 1.146 -1.816 7.931 1.00 0.00 C ATOM 352 C ASP A 22 -0.203 -2.429 7.555 1.00 0.00 C ATOM 353 O ASP A 22 -0.617 -3.432 8.103 1.00 0.00 O ATOM 354 CB ASP A 22 0.925 -0.677 8.928 1.00 0.00 C ATOM 355 CG ASP A 22 0.585 -1.247 10.306 1.00 0.00 C ATOM 356 OD1 ASP A 22 0.817 -2.426 10.512 1.00 0.00 O ATOM 357 OD2 ASP A 22 0.099 -0.493 11.131 1.00 0.00 O ATOM 0 H ASP A 22 1.989 -0.269 6.733 1.00 0.00 H new ATOM 0 HA ASP A 22 1.780 -2.581 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.821 -0.059 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.117 -0.032 8.583 1.00 0.00 H new ATOM 362 N TRP A 23 -0.887 -1.835 6.622 1.00 0.00 N ATOM 363 CA TRP A 23 -2.208 -2.374 6.209 1.00 0.00 C ATOM 364 C TRP A 23 -2.037 -3.801 5.673 1.00 0.00 C ATOM 365 O TRP A 23 -2.797 -4.689 6.002 1.00 0.00 O ATOM 366 CB TRP A 23 -2.782 -1.480 5.108 1.00 0.00 C ATOM 367 CG TRP A 23 -4.216 -1.825 4.871 1.00 0.00 C ATOM 368 CD1 TRP A 23 -5.246 -1.413 5.646 1.00 0.00 C ATOM 369 CD2 TRP A 23 -4.800 -2.629 3.806 1.00 0.00 C ATOM 370 NE1 TRP A 23 -6.423 -1.921 5.127 1.00 0.00 N ATOM 371 CE2 TRP A 23 -6.201 -2.675 3.994 1.00 0.00 C ATOM 372 CE3 TRP A 23 -4.257 -3.317 2.706 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -7.034 -3.379 3.124 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -5.092 -4.026 1.827 1.00 0.00 C ATOM 375 CH2 TRP A 23 -6.478 -4.056 2.035 1.00 0.00 C ATOM 0 H TRP A 23 -0.587 -0.996 6.126 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.884 -2.392 7.064 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.693 -0.432 5.395 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.211 -1.608 4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.163 -0.790 6.525 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.344 -1.758 5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.191 -3.300 2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.101 -3.401 3.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -4.664 -4.551 0.986 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.115 -4.601 1.355 1.00 0.00 H new ATOM 386 N LEU A 24 -1.055 -4.024 4.843 1.00 0.00 N ATOM 387 CA LEU A 24 -0.847 -5.390 4.284 1.00 0.00 C ATOM 388 C LEU A 24 -0.464 -6.365 5.404 1.00 0.00 C ATOM 389 O LEU A 24 -0.976 -7.461 5.485 1.00 0.00 O ATOM 390 CB LEU A 24 0.281 -5.344 3.238 1.00 0.00 C ATOM 391 CG LEU A 24 -0.245 -4.813 1.887 1.00 0.00 C ATOM 392 CD1 LEU A 24 -0.305 -3.284 1.904 1.00 0.00 C ATOM 393 CD2 LEU A 24 0.703 -5.254 0.772 1.00 0.00 C ATOM 0 H LEU A 24 -0.388 -3.320 4.528 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.771 -5.730 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.089 -4.705 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.699 -6.342 3.104 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.245 -5.211 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.678 -2.924 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.973 -2.955 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.693 -2.883 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.337 -4.882 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.699 -4.852 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.750 -6.343 0.744 1.00 0.00 H new ATOM 405 N TYR A 25 0.430 -5.971 6.267 1.00 0.00 N ATOM 406 CA TYR A 25 0.843 -6.872 7.380 1.00 0.00 C ATOM 407 C TYR A 25 -0.353 -7.123 8.302 1.00 0.00 C ATOM 408 O TYR A 25 -0.618 -8.236 8.706 1.00 0.00 O ATOM 409 CB TYR A 25 1.982 -6.200 8.162 1.00 0.00 C ATOM 410 CG TYR A 25 3.309 -6.480 7.487 1.00 0.00 C ATOM 411 CD1 TYR A 25 3.560 -5.988 6.200 1.00 0.00 C ATOM 412 CD2 TYR A 25 4.289 -7.234 8.150 1.00 0.00 C ATOM 413 CE1 TYR A 25 4.786 -6.247 5.577 1.00 0.00 C ATOM 414 CE2 TYR A 25 5.515 -7.490 7.527 1.00 0.00 C ATOM 415 CZ TYR A 25 5.764 -6.999 6.241 1.00 0.00 C ATOM 416 OH TYR A 25 6.973 -7.254 5.626 1.00 0.00 O ATOM 0 H TYR A 25 0.894 -5.063 6.250 1.00 0.00 H new ATOM 0 HA TYR A 25 1.188 -7.827 6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.812 -5.125 8.216 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.000 -6.572 9.186 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.807 -5.408 5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.097 -7.617 9.141 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.978 -5.867 4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.270 -8.067 8.039 1.00 0.00 H new ATOM 0 HH TYR A 25 7.538 -7.787 6.223 1.00 0.00 H new ATOM 426 N GLU A 26 -1.072 -6.090 8.632 1.00 0.00 N ATOM 427 CA GLU A 26 -2.249 -6.253 9.525 1.00 0.00 C ATOM 428 C GLU A 26 -3.359 -7.000 8.786 1.00 0.00 C ATOM 429 O GLU A 26 -4.128 -7.730 9.377 1.00 0.00 O ATOM 430 CB GLU A 26 -2.746 -4.873 9.952 1.00 0.00 C ATOM 431 CG GLU A 26 -1.715 -4.228 10.879 1.00 0.00 C ATOM 432 CD GLU A 26 -2.162 -2.809 11.231 1.00 0.00 C ATOM 433 OE1 GLU A 26 -3.215 -2.408 10.762 1.00 0.00 O ATOM 434 OE2 GLU A 26 -1.445 -2.147 11.963 1.00 0.00 O ATOM 0 H GLU A 26 -0.894 -5.135 8.320 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.964 -6.827 10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.907 -4.245 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.705 -4.961 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.605 -4.822 11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.739 -4.203 10.394 1.00 0.00 H new ATOM 441 N HIS A 27 -3.449 -6.812 7.494 1.00 0.00 N ATOM 442 CA HIS A 27 -4.509 -7.498 6.695 1.00 0.00 C ATOM 443 C HIS A 27 -3.891 -8.084 5.422 1.00 0.00 C ATOM 444 O HIS A 27 -4.292 -7.771 4.319 1.00 0.00 O ATOM 445 CB HIS A 27 -5.595 -6.482 6.332 1.00 0.00 C ATOM 446 CG HIS A 27 -6.316 -6.061 7.585 1.00 0.00 C ATOM 447 ND1 HIS A 27 -7.192 -6.905 8.251 1.00 0.00 N ATOM 448 CD2 HIS A 27 -6.298 -4.894 8.310 1.00 0.00 C ATOM 449 CE1 HIS A 27 -7.661 -6.240 9.323 1.00 0.00 C ATOM 450 NE2 HIS A 27 -7.147 -5.010 9.406 1.00 0.00 N ATOM 0 H HIS A 27 -2.829 -6.208 6.954 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.950 -8.307 7.278 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.150 -5.614 5.845 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.298 -6.920 5.623 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.713 -4.019 8.066 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.367 -6.651 10.030 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.336 -4.307 10.120 1.00 0.00 H new ATOM 458 N ARG A 28 -2.918 -8.943 5.576 1.00 0.00 N ATOM 459 CA ARG A 28 -2.272 -9.568 4.389 1.00 0.00 C ATOM 460 C ARG A 28 -3.272 -10.501 3.705 1.00 0.00 C ATOM 461 O ARG A 28 -3.369 -10.551 2.496 1.00 0.00 O ATOM 462 CB ARG A 28 -1.044 -10.366 4.853 1.00 0.00 C ATOM 463 CG ARG A 28 -1.488 -11.544 5.730 1.00 0.00 C ATOM 464 CD ARG A 28 -0.263 -12.199 6.371 1.00 0.00 C ATOM 465 NE ARG A 28 -0.690 -13.400 7.150 1.00 0.00 N ATOM 466 CZ ARG A 28 -1.091 -13.278 8.389 1.00 0.00 C ATOM 467 NH1 ARG A 28 -1.138 -12.101 8.954 1.00 0.00 N ATOM 468 NH2 ARG A 28 -1.449 -14.337 9.063 1.00 0.00 N ATOM 0 H ARG A 28 -2.543 -9.238 6.477 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.959 -8.799 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.490 -10.733 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.369 -9.719 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.173 -11.196 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.030 -12.274 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.453 -12.487 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.242 -11.488 7.026 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.669 -14.321 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.861 -11.272 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.451 -12.011 9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.416 -15.257 8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.762 -14.245 10.029 1.00 0.00 H new ATOM 482 N TYR A 29 -4.018 -11.242 4.479 1.00 0.00 N ATOM 483 CA TYR A 29 -5.016 -12.176 3.894 1.00 0.00 C ATOM 484 C TYR A 29 -6.164 -11.377 3.278 1.00 0.00 C ATOM 485 O TYR A 29 -6.625 -11.664 2.192 1.00 0.00 O ATOM 486 CB TYR A 29 -5.557 -13.085 4.997 1.00 0.00 C ATOM 487 CG TYR A 29 -6.520 -14.084 4.401 1.00 0.00 C ATOM 488 CD1 TYR A 29 -6.035 -15.119 3.596 1.00 0.00 C ATOM 489 CD2 TYR A 29 -7.892 -13.981 4.658 1.00 0.00 C ATOM 490 CE1 TYR A 29 -6.920 -16.051 3.044 1.00 0.00 C ATOM 491 CE2 TYR A 29 -8.778 -14.913 4.106 1.00 0.00 C ATOM 492 CZ TYR A 29 -8.291 -15.949 3.298 1.00 0.00 C ATOM 493 OH TYR A 29 -9.164 -16.867 2.754 1.00 0.00 O ATOM 0 H TYR A 29 -3.977 -11.239 5.498 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.544 -12.781 3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.735 -13.605 5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.060 -12.490 5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.976 -15.199 3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.267 -13.183 5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.544 -16.850 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.837 -14.834 4.303 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.079 -16.652 3.031 1.00 0.00 H new ATOM 503 N ASN A 30 -6.624 -10.368 3.968 1.00 0.00 N ATOM 504 CA ASN A 30 -7.738 -9.536 3.438 1.00 0.00 C ATOM 505 C ASN A 30 -7.150 -8.371 2.643 1.00 0.00 C ATOM 506 O ASN A 30 -7.593 -7.246 2.747 1.00 0.00 O ATOM 507 CB ASN A 30 -8.573 -8.996 4.603 1.00 0.00 C ATOM 508 CG ASN A 30 -9.389 -10.137 5.215 1.00 0.00 C ATOM 509 OD1 ASN A 30 -9.556 -11.175 4.606 1.00 0.00 O ATOM 510 ND2 ASN A 30 -9.913 -9.985 6.401 1.00 0.00 N ATOM 0 H ASN A 30 -6.272 -10.084 4.882 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.376 -10.139 2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.922 -8.554 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.237 -8.206 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.462 -10.738 6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.773 -9.114 6.913 1.00 0.00 H new ATOM 517 N ALA A 31 -6.146 -8.637 1.852 1.00 0.00 N ATOM 518 CA ALA A 31 -5.518 -7.557 1.042 1.00 0.00 C ATOM 519 C ALA A 31 -6.204 -7.497 -0.325 1.00 0.00 C ATOM 520 O ALA A 31 -5.687 -7.989 -1.309 1.00 0.00 O ATOM 521 CB ALA A 31 -4.031 -7.866 0.859 1.00 0.00 C ATOM 0 H ALA A 31 -5.732 -9.562 1.732 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.628 -6.598 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.566 -7.078 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.548 -7.920 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.918 -8.821 0.345 1.00 0.00 H new ATOM 527 N TYR A 32 -7.369 -6.894 -0.393 1.00 0.00 N ATOM 528 CA TYR A 32 -8.108 -6.786 -1.693 1.00 0.00 C ATOM 529 C TYR A 32 -8.155 -5.307 -2.116 1.00 0.00 C ATOM 530 O TYR A 32 -8.991 -4.559 -1.653 1.00 0.00 O ATOM 531 CB TYR A 32 -9.537 -7.318 -1.515 1.00 0.00 C ATOM 532 CG TYR A 32 -10.227 -6.600 -0.379 1.00 0.00 C ATOM 533 CD1 TYR A 32 -9.939 -6.948 0.943 1.00 0.00 C ATOM 534 CD2 TYR A 32 -11.161 -5.593 -0.650 1.00 0.00 C ATOM 535 CE1 TYR A 32 -10.581 -6.289 1.997 1.00 0.00 C ATOM 536 CE2 TYR A 32 -11.805 -4.934 0.401 1.00 0.00 C ATOM 537 CZ TYR A 32 -11.515 -5.283 1.726 1.00 0.00 C ATOM 538 OH TYR A 32 -12.152 -4.635 2.765 1.00 0.00 O ATOM 0 H TYR A 32 -7.843 -6.469 0.404 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.601 -7.373 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.101 -7.180 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.511 -8.389 -1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.220 -7.726 1.152 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.384 -5.325 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.356 -6.557 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.525 -4.157 0.192 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.768 -3.964 2.403 1.00 0.00 H new ATOM 548 N PRO A 33 -7.256 -4.871 -2.973 1.00 0.00 N ATOM 549 CA PRO A 33 -7.213 -3.445 -3.424 1.00 0.00 C ATOM 550 C PRO A 33 -8.565 -2.952 -3.953 1.00 0.00 C ATOM 551 O PRO A 33 -9.248 -3.638 -4.686 1.00 0.00 O ATOM 552 CB PRO A 33 -6.161 -3.441 -4.550 1.00 0.00 C ATOM 553 CG PRO A 33 -5.299 -4.640 -4.295 1.00 0.00 C ATOM 554 CD PRO A 33 -6.187 -5.674 -3.596 1.00 0.00 C ATOM 0 HA PRO A 33 -6.970 -2.775 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.635 -3.499 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.572 -2.524 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.902 -5.038 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.444 -4.378 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.593 -6.395 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.628 -6.240 -2.851 1.00 0.00 H new ATOM 562 N SER A 34 -8.952 -1.761 -3.584 1.00 0.00 N ATOM 563 CA SER A 34 -10.251 -1.214 -4.062 1.00 0.00 C ATOM 564 C SER A 34 -10.236 0.310 -3.941 1.00 0.00 C ATOM 565 O SER A 34 -9.413 0.882 -3.256 1.00 0.00 O ATOM 566 CB SER A 34 -11.391 -1.783 -3.217 1.00 0.00 C ATOM 567 OG SER A 34 -11.102 -1.576 -1.841 1.00 0.00 O ATOM 0 H SER A 34 -8.422 -1.143 -2.970 1.00 0.00 H new ATOM 0 HA SER A 34 -10.401 -1.495 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.331 -1.299 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.513 -2.847 -3.419 1.00 0.00 H new ATOM 0 HG SER A 34 -11.745 -2.074 -1.293 1.00 0.00 H new ATOM 573 N GLU A 35 -11.144 0.967 -4.601 1.00 0.00 N ATOM 574 CA GLU A 35 -11.198 2.450 -4.530 1.00 0.00 C ATOM 575 C GLU A 35 -11.617 2.878 -3.119 1.00 0.00 C ATOM 576 O GLU A 35 -11.141 3.862 -2.589 1.00 0.00 O ATOM 577 CB GLU A 35 -12.224 2.964 -5.550 1.00 0.00 C ATOM 578 CG GLU A 35 -11.732 2.677 -6.982 1.00 0.00 C ATOM 579 CD GLU A 35 -12.078 1.238 -7.385 1.00 0.00 C ATOM 580 OE1 GLU A 35 -12.572 0.506 -6.544 1.00 0.00 O ATOM 581 OE2 GLU A 35 -11.834 0.892 -8.529 1.00 0.00 O ATOM 0 H GLU A 35 -11.856 0.537 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.216 2.867 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.187 2.482 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.377 4.035 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.192 3.378 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.654 2.829 -7.041 1.00 0.00 H new ATOM 588 N GLN A 36 -12.504 2.143 -2.508 1.00 0.00 N ATOM 589 CA GLN A 36 -12.952 2.498 -1.132 1.00 0.00 C ATOM 590 C GLN A 36 -11.778 2.359 -0.156 1.00 0.00 C ATOM 591 O GLN A 36 -11.577 3.181 0.715 1.00 0.00 O ATOM 592 CB GLN A 36 -14.081 1.549 -0.715 1.00 0.00 C ATOM 593 CG GLN A 36 -13.526 0.129 -0.556 1.00 0.00 C ATOM 594 CD GLN A 36 -14.676 -0.871 -0.453 1.00 0.00 C ATOM 595 OE1 GLN A 36 -14.977 -1.567 -1.401 1.00 0.00 O ATOM 596 NE2 GLN A 36 -15.334 -0.975 0.669 1.00 0.00 N ATOM 0 H GLN A 36 -12.939 1.309 -2.903 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.310 3.527 -1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.524 1.884 0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.873 1.559 -1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.891 -0.120 -1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.901 0.071 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.080 -0.390 1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.102 -1.641 0.750 1.00 0.00 H new ATOM 605 N GLU A 37 -11.008 1.316 -0.299 1.00 0.00 N ATOM 606 CA GLU A 37 -9.850 1.103 0.612 1.00 0.00 C ATOM 607 C GLU A 37 -8.770 2.147 0.323 1.00 0.00 C ATOM 608 O GLU A 37 -8.238 2.772 1.218 1.00 0.00 O ATOM 609 CB GLU A 37 -9.286 -0.298 0.362 1.00 0.00 C ATOM 610 CG GLU A 37 -8.213 -0.626 1.400 1.00 0.00 C ATOM 611 CD GLU A 37 -8.872 -0.826 2.763 1.00 0.00 C ATOM 612 OE1 GLU A 37 -10.091 -0.856 2.813 1.00 0.00 O ATOM 613 OE2 GLU A 37 -8.148 -0.942 3.737 1.00 0.00 O ATOM 0 H GLU A 37 -11.133 0.598 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.169 1.199 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.088 -1.035 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.862 -0.354 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.673 -1.527 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.482 0.181 1.452 1.00 0.00 H new ATOM 620 N LYS A 38 -8.451 2.341 -0.925 1.00 0.00 N ATOM 621 CA LYS A 38 -7.415 3.345 -1.287 1.00 0.00 C ATOM 622 C LYS A 38 -7.900 4.740 -0.901 1.00 0.00 C ATOM 623 O LYS A 38 -7.141 5.567 -0.438 1.00 0.00 O ATOM 624 CB LYS A 38 -7.150 3.281 -2.793 1.00 0.00 C ATOM 625 CG LYS A 38 -6.435 1.970 -3.135 1.00 0.00 C ATOM 626 CD LYS A 38 -6.182 1.903 -4.643 1.00 0.00 C ATOM 627 CE LYS A 38 -5.451 0.603 -4.983 1.00 0.00 C ATOM 628 NZ LYS A 38 -5.204 0.541 -6.452 1.00 0.00 N ATOM 0 H LYS A 38 -8.866 1.845 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.491 3.129 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.090 3.348 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.540 4.130 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.491 1.907 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.040 1.120 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.127 1.952 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.588 2.760 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.506 0.553 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.045 -0.254 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.395 -0.084 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.049 0.169 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.996 1.495 -6.810 1.00 0.00 H new ATOM 642 N ALA A 39 -9.162 5.008 -1.087 1.00 0.00 N ATOM 643 CA ALA A 39 -9.699 6.348 -0.730 1.00 0.00 C ATOM 644 C ALA A 39 -9.420 6.628 0.747 1.00 0.00 C ATOM 645 O ALA A 39 -8.957 7.688 1.115 1.00 0.00 O ATOM 646 CB ALA A 39 -11.208 6.362 -0.973 1.00 0.00 C ATOM 0 H ALA A 39 -9.845 4.355 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.220 7.113 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.609 7.342 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.409 6.154 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.683 5.600 -0.355 1.00 0.00 H new ATOM 652 N LEU A 40 -9.695 5.678 1.596 1.00 0.00 N ATOM 653 CA LEU A 40 -9.443 5.876 3.049 1.00 0.00 C ATOM 654 C LEU A 40 -7.940 6.065 3.281 1.00 0.00 C ATOM 655 O LEU A 40 -7.516 6.921 4.029 1.00 0.00 O ATOM 656 CB LEU A 40 -9.919 4.625 3.800 1.00 0.00 C ATOM 657 CG LEU A 40 -11.451 4.649 3.963 1.00 0.00 C ATOM 658 CD1 LEU A 40 -11.969 3.220 4.158 1.00 0.00 C ATOM 659 CD2 LEU A 40 -11.845 5.486 5.189 1.00 0.00 C ATOM 0 H LEU A 40 -10.085 4.770 1.344 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.978 6.756 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.618 3.730 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.443 4.578 4.779 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.888 5.090 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.053 3.238 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.707 2.616 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.517 2.788 5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.930 5.494 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.399 5.052 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.485 6.507 5.063 1.00 0.00 H new ATOM 671 N LEU A 41 -7.139 5.265 2.637 1.00 0.00 N ATOM 672 CA LEU A 41 -5.666 5.377 2.806 1.00 0.00 C ATOM 673 C LEU A 41 -5.195 6.736 2.284 1.00 0.00 C ATOM 674 O LEU A 41 -4.358 7.386 2.877 1.00 0.00 O ATOM 675 CB LEU A 41 -4.992 4.256 2.014 1.00 0.00 C ATOM 676 CG LEU A 41 -5.302 2.897 2.661 1.00 0.00 C ATOM 677 CD1 LEU A 41 -4.825 1.776 1.734 1.00 0.00 C ATOM 678 CD2 LEU A 41 -4.603 2.773 4.032 1.00 0.00 C ATOM 0 H LEU A 41 -7.445 4.533 1.996 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.404 5.291 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.344 4.266 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.914 4.417 1.985 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.378 2.817 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.043 0.810 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.341 1.851 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.751 1.868 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.836 1.804 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.525 2.862 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.954 3.566 4.693 1.00 0.00 H new ATOM 690 N SER A 42 -5.730 7.167 1.181 1.00 0.00 N ATOM 691 CA SER A 42 -5.323 8.479 0.614 1.00 0.00 C ATOM 692 C SER A 42 -5.640 9.594 1.615 1.00 0.00 C ATOM 693 O SER A 42 -4.903 10.552 1.746 1.00 0.00 O ATOM 694 CB SER A 42 -6.089 8.722 -0.684 1.00 0.00 C ATOM 695 OG SER A 42 -5.589 7.851 -1.692 1.00 0.00 O ATOM 0 H SER A 42 -6.436 6.664 0.644 1.00 0.00 H new ATOM 0 HA SER A 42 -4.252 8.474 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.154 8.547 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.979 9.760 -0.996 1.00 0.00 H new ATOM 0 HG SER A 42 -5.954 6.952 -1.558 1.00 0.00 H new ATOM 701 N GLN A 43 -6.733 9.484 2.317 1.00 0.00 N ATOM 702 CA GLN A 43 -7.101 10.535 3.305 1.00 0.00 C ATOM 703 C GLN A 43 -6.066 10.569 4.431 1.00 0.00 C ATOM 704 O GLN A 43 -5.683 11.619 4.907 1.00 0.00 O ATOM 705 CB GLN A 43 -8.474 10.203 3.892 1.00 0.00 C ATOM 706 CG GLN A 43 -8.954 11.346 4.790 1.00 0.00 C ATOM 707 CD GLN A 43 -9.215 12.594 3.942 1.00 0.00 C ATOM 708 OE1 GLN A 43 -8.306 13.349 3.657 1.00 0.00 O ATOM 709 NE2 GLN A 43 -10.426 12.841 3.526 1.00 0.00 N ATOM 0 H GLN A 43 -7.390 8.707 2.248 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.129 11.507 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.191 10.036 3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.418 9.278 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.864 11.053 5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.205 11.562 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.187 12.206 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.612 13.669 2.960 1.00 0.00 H new ATOM 718 N GLN A 44 -5.621 9.425 4.865 1.00 0.00 N ATOM 719 CA GLN A 44 -4.623 9.379 5.966 1.00 0.00 C ATOM 720 C GLN A 44 -3.315 10.038 5.518 1.00 0.00 C ATOM 721 O GLN A 44 -2.678 10.744 6.272 1.00 0.00 O ATOM 722 CB GLN A 44 -4.345 7.919 6.325 1.00 0.00 C ATOM 723 CG GLN A 44 -5.632 7.249 6.809 1.00 0.00 C ATOM 724 CD GLN A 44 -6.099 7.904 8.108 1.00 0.00 C ATOM 725 OE1 GLN A 44 -5.322 8.087 9.025 1.00 0.00 O ATOM 726 NE2 GLN A 44 -7.347 8.264 8.228 1.00 0.00 N ATOM 0 H GLN A 44 -5.907 8.516 4.502 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.018 9.913 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.953 7.390 5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.582 7.865 7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.407 7.337 6.048 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.461 6.184 6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.998 8.110 7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.671 8.699 9.092 1.00 0.00 H new ATOM 735 N THR A 45 -2.905 9.800 4.300 1.00 0.00 N ATOM 736 CA THR A 45 -1.638 10.390 3.795 1.00 0.00 C ATOM 737 C THR A 45 -1.944 11.613 2.938 1.00 0.00 C ATOM 738 O THR A 45 -3.074 11.881 2.586 1.00 0.00 O ATOM 739 CB THR A 45 -0.905 9.349 2.948 1.00 0.00 C ATOM 740 OG1 THR A 45 -1.690 9.025 1.808 1.00 0.00 O ATOM 741 CG2 THR A 45 -0.671 8.095 3.787 1.00 0.00 C ATOM 0 H THR A 45 -3.402 9.215 3.629 1.00 0.00 H new ATOM 0 HA THR A 45 -1.015 10.689 4.638 1.00 0.00 H new ATOM 0 HB THR A 45 0.053 9.751 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.219 8.359 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.149 7.349 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.068 8.348 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.630 7.692 4.114 1.00 0.00 H new ATOM 749 N HIS A 46 -0.929 12.349 2.596 1.00 0.00 N ATOM 750 CA HIS A 46 -1.112 13.563 1.752 1.00 0.00 C ATOM 751 C HIS A 46 -0.759 13.216 0.303 1.00 0.00 C ATOM 752 O HIS A 46 -0.277 14.045 -0.441 1.00 0.00 O ATOM 753 CB HIS A 46 -0.188 14.672 2.258 1.00 0.00 C ATOM 754 CG HIS A 46 -0.645 15.115 3.622 1.00 0.00 C ATOM 755 ND1 HIS A 46 -0.282 14.438 4.776 1.00 0.00 N ATOM 756 CD2 HIS A 46 -1.441 16.156 4.032 1.00 0.00 C ATOM 757 CE1 HIS A 46 -0.856 15.073 5.815 1.00 0.00 C ATOM 758 NE2 HIS A 46 -1.573 16.127 5.417 1.00 0.00 N ATOM 0 H HIS A 46 0.036 12.160 2.868 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.146 13.905 1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.840 14.312 2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.199 15.514 1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.896 16.886 3.379 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.750 14.767 6.845 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.103 16.772 6.002 1.00 0.00 H new ATOM 766 N LEU A 47 -0.996 11.987 -0.098 1.00 0.00 N ATOM 767 CA LEU A 47 -0.680 11.559 -1.501 1.00 0.00 C ATOM 768 C LEU A 47 -1.982 11.357 -2.273 1.00 0.00 C ATOM 769 O LEU A 47 -3.024 11.096 -1.705 1.00 0.00 O ATOM 770 CB LEU A 47 0.109 10.242 -1.484 1.00 0.00 C ATOM 771 CG LEU A 47 1.391 10.391 -0.652 1.00 0.00 C ATOM 772 CD1 LEU A 47 2.166 9.072 -0.693 1.00 0.00 C ATOM 773 CD2 LEU A 47 2.269 11.512 -1.227 1.00 0.00 C ATOM 0 H LEU A 47 -1.398 11.257 0.491 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.079 12.330 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.510 9.446 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.362 9.950 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 47 1.126 10.640 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.079 9.168 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.549 8.275 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.423 8.833 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.175 11.608 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.538 11.272 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.719 12.453 -1.205 1.00 0.00 H new ATOM 785 N SER A 48 -1.931 11.504 -3.569 1.00 0.00 N ATOM 786 CA SER A 48 -3.159 11.354 -4.400 1.00 0.00 C ATOM 787 C SER A 48 -3.532 9.878 -4.577 1.00 0.00 C ATOM 788 O SER A 48 -2.759 8.985 -4.294 1.00 0.00 O ATOM 789 CB SER A 48 -2.900 11.975 -5.772 1.00 0.00 C ATOM 790 OG SER A 48 -1.674 11.470 -6.286 1.00 0.00 O ATOM 0 H SER A 48 -1.083 11.724 -4.092 1.00 0.00 H new ATOM 0 HA SER A 48 -3.986 11.857 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.719 11.740 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.855 13.061 -5.691 1.00 0.00 H new ATOM 0 HG SER A 48 -1.502 11.863 -7.167 1.00 0.00 H new ATOM 796 N THR A 49 -4.722 9.631 -5.058 1.00 0.00 N ATOM 797 CA THR A 49 -5.187 8.232 -5.284 1.00 0.00 C ATOM 798 C THR A 49 -4.294 7.551 -6.321 1.00 0.00 C ATOM 799 O THR A 49 -3.959 6.390 -6.202 1.00 0.00 O ATOM 800 CB THR A 49 -6.626 8.261 -5.801 1.00 0.00 C ATOM 801 OG1 THR A 49 -7.407 9.111 -4.976 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.207 6.846 -5.779 1.00 0.00 C ATOM 0 H THR A 49 -5.401 10.351 -5.307 1.00 0.00 H new ATOM 0 HA THR A 49 -5.138 7.678 -4.347 1.00 0.00 H new ATOM 0 HB THR A 49 -6.638 8.639 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.329 9.132 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.233 6.868 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.606 6.196 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.197 6.464 -4.758 1.00 0.00 H new ATOM 810 N LEU A 50 -3.920 8.260 -7.349 1.00 0.00 N ATOM 811 CA LEU A 50 -3.067 7.649 -8.403 1.00 0.00 C ATOM 812 C LEU A 50 -1.757 7.159 -7.782 1.00 0.00 C ATOM 813 O LEU A 50 -1.281 6.084 -8.086 1.00 0.00 O ATOM 814 CB LEU A 50 -2.762 8.707 -9.472 1.00 0.00 C ATOM 815 CG LEU A 50 -1.843 8.127 -10.560 1.00 0.00 C ATOM 816 CD1 LEU A 50 -2.479 6.878 -11.191 1.00 0.00 C ATOM 817 CD2 LEU A 50 -1.617 9.193 -11.640 1.00 0.00 C ATOM 0 H LEU A 50 -4.169 9.237 -7.504 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.588 6.805 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.692 9.056 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.287 9.572 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.891 7.841 -10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.815 6.480 -11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.638 6.122 -10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.436 7.144 -11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.966 8.792 -12.417 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.574 9.475 -12.079 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.150 10.071 -11.193 1.00 0.00 H new ATOM 829 N GLN A 51 -1.173 7.933 -6.914 1.00 0.00 N ATOM 830 CA GLN A 51 0.105 7.506 -6.278 1.00 0.00 C ATOM 831 C GLN A 51 -0.135 6.266 -5.407 1.00 0.00 C ATOM 832 O GLN A 51 0.649 5.340 -5.401 1.00 0.00 O ATOM 833 CB GLN A 51 0.635 8.646 -5.410 1.00 0.00 C ATOM 834 CG GLN A 51 1.104 9.797 -6.307 1.00 0.00 C ATOM 835 CD GLN A 51 1.651 10.932 -5.440 1.00 0.00 C ATOM 836 OE1 GLN A 51 2.439 10.701 -4.543 1.00 0.00 O ATOM 837 NE2 GLN A 51 1.264 12.158 -5.669 1.00 0.00 N ATOM 0 H GLN A 51 -1.524 8.843 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 51 0.833 7.261 -7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.145 8.994 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.461 8.293 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.875 9.446 -6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.275 10.158 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.603 12.352 -6.421 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.623 12.922 -5.096 1.00 0.00 H new ATOM 846 N VAL A 52 -1.213 6.246 -4.671 1.00 0.00 N ATOM 847 CA VAL A 52 -1.504 5.070 -3.803 1.00 0.00 C ATOM 848 C VAL A 52 -1.760 3.833 -4.672 1.00 0.00 C ATOM 849 O VAL A 52 -1.273 2.757 -4.395 1.00 0.00 O ATOM 850 CB VAL A 52 -2.739 5.374 -2.951 1.00 0.00 C ATOM 851 CG1 VAL A 52 -3.176 4.115 -2.197 1.00 0.00 C ATOM 852 CG2 VAL A 52 -2.401 6.473 -1.943 1.00 0.00 C ATOM 0 H VAL A 52 -1.905 6.994 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.651 4.872 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.550 5.704 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.055 4.339 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.418 3.328 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.366 3.780 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.279 6.691 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.588 6.138 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.095 7.374 -2.475 1.00 0.00 H new ATOM 862 N CYS A 53 -2.527 3.978 -5.718 1.00 0.00 N ATOM 863 CA CYS A 53 -2.819 2.815 -6.601 1.00 0.00 C ATOM 864 C CYS A 53 -1.513 2.255 -7.172 1.00 0.00 C ATOM 865 O CYS A 53 -1.309 1.060 -7.228 1.00 0.00 O ATOM 866 CB CYS A 53 -3.718 3.274 -7.750 1.00 0.00 C ATOM 867 SG CYS A 53 -3.827 1.967 -8.999 1.00 0.00 S ATOM 0 H CYS A 53 -2.965 4.855 -5.999 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.320 2.038 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.712 3.514 -7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.318 4.184 -8.196 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.216 2.478 -10.129 1.00 0.00 H new ATOM 873 N ASN A 54 -0.627 3.114 -7.596 1.00 0.00 N ATOM 874 CA ASN A 54 0.665 2.638 -8.164 1.00 0.00 C ATOM 875 C ASN A 54 1.467 1.909 -7.080 1.00 0.00 C ATOM 876 O ASN A 54 2.089 0.895 -7.328 1.00 0.00 O ATOM 877 CB ASN A 54 1.467 3.842 -8.660 1.00 0.00 C ATOM 878 CG ASN A 54 0.807 4.429 -9.912 1.00 0.00 C ATOM 879 OD1 ASN A 54 0.233 3.635 -10.775 1.00 0.00 O flip ATOM 880 ND2 ASN A 54 0.824 5.627 -10.111 1.00 0.00 N flip ATOM 0 H ASN A 54 -0.743 4.127 -7.573 1.00 0.00 H new ATOM 0 HA ASN A 54 0.470 1.955 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.523 4.600 -7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.490 3.541 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.272 6.249 -9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.390 6.011 -10.951 1.00 0.00 H new ATOM 887 N TRP A 55 1.460 2.425 -5.881 1.00 0.00 N ATOM 888 CA TRP A 55 2.224 1.774 -4.780 1.00 0.00 C ATOM 889 C TRP A 55 1.673 0.367 -4.521 1.00 0.00 C ATOM 890 O TRP A 55 2.414 -0.569 -4.312 1.00 0.00 O ATOM 891 CB TRP A 55 2.089 2.613 -3.511 1.00 0.00 C ATOM 892 CG TRP A 55 2.961 2.042 -2.441 1.00 0.00 C ATOM 893 CD1 TRP A 55 4.232 2.427 -2.187 1.00 0.00 C ATOM 894 CD2 TRP A 55 2.653 0.986 -1.489 1.00 0.00 C ATOM 895 NE1 TRP A 55 4.722 1.679 -1.131 1.00 0.00 N ATOM 896 CE2 TRP A 55 3.786 0.776 -0.669 1.00 0.00 C ATOM 897 CE3 TRP A 55 1.511 0.201 -1.257 1.00 0.00 C ATOM 898 CZ2 TRP A 55 3.786 -0.181 0.346 1.00 0.00 C ATOM 899 CZ3 TRP A 55 1.507 -0.764 -0.238 1.00 0.00 C ATOM 900 CH2 TRP A 55 2.642 -0.955 0.562 1.00 0.00 C ATOM 0 H TRP A 55 0.957 3.272 -5.616 1.00 0.00 H new ATOM 0 HA TRP A 55 3.273 1.699 -5.065 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.373 3.646 -3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.051 2.627 -3.180 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.776 3.193 -2.721 1.00 0.00 H new ATOM 0 HE1 TRP A 55 5.659 1.782 -0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.631 0.341 -1.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.663 -0.323 0.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.624 -1.363 -0.069 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.633 -1.699 1.344 1.00 0.00 H new ATOM 911 N PHE A 56 0.378 0.213 -4.533 1.00 0.00 N ATOM 912 CA PHE A 56 -0.219 -1.132 -4.288 1.00 0.00 C ATOM 913 C PHE A 56 0.216 -2.103 -5.389 1.00 0.00 C ATOM 914 O PHE A 56 0.541 -3.241 -5.131 1.00 0.00 O ATOM 915 CB PHE A 56 -1.759 -1.014 -4.285 1.00 0.00 C ATOM 916 CG PHE A 56 -2.263 -0.795 -2.878 1.00 0.00 C ATOM 917 CD1 PHE A 56 -2.316 -1.876 -1.991 1.00 0.00 C ATOM 918 CD2 PHE A 56 -2.678 0.474 -2.460 1.00 0.00 C ATOM 919 CE1 PHE A 56 -2.781 -1.690 -0.688 1.00 0.00 C ATOM 920 CE2 PHE A 56 -3.143 0.661 -1.155 1.00 0.00 C ATOM 921 CZ PHE A 56 -3.195 -0.423 -0.268 1.00 0.00 C ATOM 0 H PHE A 56 -0.294 0.961 -4.702 1.00 0.00 H new ATOM 0 HA PHE A 56 0.123 -1.508 -3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.069 -0.186 -4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.201 -1.919 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.997 -2.856 -2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.639 1.308 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.821 -2.525 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.462 1.640 -0.830 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.555 -0.279 0.740 1.00 0.00 H new ATOM 931 N ILE A 57 0.202 -1.668 -6.615 1.00 0.00 N ATOM 932 CA ILE A 57 0.587 -2.577 -7.724 1.00 0.00 C ATOM 933 C ILE A 57 2.043 -3.027 -7.555 1.00 0.00 C ATOM 934 O ILE A 57 2.358 -4.193 -7.684 1.00 0.00 O ATOM 935 CB ILE A 57 0.436 -1.819 -9.045 1.00 0.00 C ATOM 936 CG1 ILE A 57 -1.048 -1.533 -9.301 1.00 0.00 C ATOM 937 CG2 ILE A 57 1.001 -2.658 -10.193 1.00 0.00 C ATOM 938 CD1 ILE A 57 -1.187 -0.557 -10.473 1.00 0.00 C ATOM 0 H ILE A 57 -0.059 -0.723 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.054 -3.459 -7.718 1.00 0.00 H new ATOM 0 HB ILE A 57 0.985 -0.879 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.575 -2.461 -9.523 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.507 -1.112 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.891 -2.113 -11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.057 -2.858 -10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.458 -3.601 -10.256 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.242 -0.354 -10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.674 0.375 -10.233 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.743 -0.996 -11.367 1.00 0.00 H new ATOM 950 N ASN A 58 2.931 -2.120 -7.266 1.00 0.00 N ATOM 951 CA ASN A 58 4.362 -2.506 -7.093 1.00 0.00 C ATOM 952 C ASN A 58 4.578 -3.148 -5.719 1.00 0.00 C ATOM 953 O ASN A 58 5.165 -4.207 -5.594 1.00 0.00 O ATOM 954 CB ASN A 58 5.225 -1.252 -7.204 1.00 0.00 C ATOM 955 CG ASN A 58 6.694 -1.620 -7.006 1.00 0.00 C ATOM 956 OD1 ASN A 58 7.094 -2.733 -7.280 1.00 0.00 O ATOM 957 ND2 ASN A 58 7.519 -0.724 -6.538 1.00 0.00 N ATOM 0 H ASN A 58 2.731 -1.128 -7.142 1.00 0.00 H new ATOM 0 HA ASN A 58 4.637 -3.226 -7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.085 -0.787 -8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.919 -0.521 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.502 -0.958 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.181 0.210 -6.309 1.00 0.00 H new ATOM 964 N ALA A 59 4.110 -2.505 -4.690 1.00 0.00 N ATOM 965 CA ALA A 59 4.287 -3.045 -3.314 1.00 0.00 C ATOM 966 C ALA A 59 3.657 -4.434 -3.206 1.00 0.00 C ATOM 967 O ALA A 59 4.248 -5.354 -2.679 1.00 0.00 O ATOM 968 CB ALA A 59 3.601 -2.104 -2.325 1.00 0.00 C ATOM 0 H ALA A 59 3.607 -1.619 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 59 5.351 -3.121 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.723 -2.488 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.050 -1.113 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.539 -2.038 -2.562 1.00 0.00 H new ATOM 974 N ARG A 60 2.459 -4.594 -3.696 1.00 0.00 N ATOM 975 CA ARG A 60 1.793 -5.922 -3.614 1.00 0.00 C ATOM 976 C ARG A 60 2.590 -6.950 -4.417 1.00 0.00 C ATOM 977 O ARG A 60 2.778 -8.073 -3.994 1.00 0.00 O ATOM 978 CB ARG A 60 0.381 -5.815 -4.193 1.00 0.00 C ATOM 979 CG ARG A 60 -0.350 -7.148 -4.025 1.00 0.00 C ATOM 980 CD ARG A 60 -1.799 -6.995 -4.491 1.00 0.00 C ATOM 981 NE ARG A 60 -2.497 -6.007 -3.617 1.00 0.00 N ATOM 982 CZ ARG A 60 -3.015 -6.381 -2.475 1.00 0.00 C ATOM 983 NH1 ARG A 60 -2.938 -7.627 -2.096 1.00 0.00 N ATOM 984 NH2 ARG A 60 -3.613 -5.504 -1.714 1.00 0.00 N ATOM 0 H ARG A 60 1.913 -3.862 -4.150 1.00 0.00 H new ATOM 0 HA ARG A 60 1.743 -6.237 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.170 -5.021 -3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.430 -5.547 -5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.150 -7.925 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.323 -7.461 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.826 -6.663 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.309 -7.957 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.571 -5.033 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.473 -8.313 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.343 -7.915 -1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.675 -4.530 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.018 -5.793 -0.823 1.00 0.00 H new ATOM 998 N ARG A 61 3.048 -6.575 -5.580 1.00 0.00 N ATOM 999 CA ARG A 61 3.815 -7.531 -6.426 1.00 0.00 C ATOM 1000 C ARG A 61 5.136 -7.903 -5.748 1.00 0.00 C ATOM 1001 O ARG A 61 5.775 -8.863 -6.122 1.00 0.00 O ATOM 1002 CB ARG A 61 4.109 -6.878 -7.784 1.00 0.00 C ATOM 1003 CG ARG A 61 4.426 -7.956 -8.837 1.00 0.00 C ATOM 1004 CD ARG A 61 3.126 -8.448 -9.487 1.00 0.00 C ATOM 1005 NE ARG A 61 3.440 -9.499 -10.496 1.00 0.00 N ATOM 1006 CZ ARG A 61 3.518 -10.754 -10.143 1.00 0.00 C ATOM 1007 NH1 ARG A 61 3.338 -11.100 -8.896 1.00 0.00 N ATOM 1008 NH2 ARG A 61 3.781 -11.663 -11.040 1.00 0.00 N ATOM 0 H ARG A 61 2.923 -5.645 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 61 3.223 -8.436 -6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.251 -6.288 -8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.951 -6.192 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.092 -7.549 -9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.948 -8.791 -8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.456 -8.848 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.607 -7.616 -9.963 1.00 0.00 H new ATOM 0 HE ARG A 61 3.595 -9.236 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.136 -10.389 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.400 -12.081 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.925 -11.393 -12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.843 -12.644 -10.769 1.00 0.00 H new ATOM 1022 N ARG A 62 5.563 -7.139 -4.773 1.00 0.00 N ATOM 1023 CA ARG A 62 6.856 -7.441 -4.077 1.00 0.00 C ATOM 1024 C ARG A 62 6.593 -7.828 -2.617 1.00 0.00 C ATOM 1025 O ARG A 62 7.498 -8.216 -1.903 1.00 0.00 O ATOM 1026 CB ARG A 62 7.743 -6.197 -4.131 1.00 0.00 C ATOM 1027 CG ARG A 62 8.116 -5.910 -5.588 1.00 0.00 C ATOM 1028 CD ARG A 62 8.926 -4.615 -5.668 1.00 0.00 C ATOM 1029 NE ARG A 62 10.226 -4.803 -4.963 1.00 0.00 N ATOM 1030 CZ ARG A 62 11.046 -3.798 -4.819 1.00 0.00 C ATOM 1031 NH1 ARG A 62 10.732 -2.622 -5.288 1.00 0.00 N ATOM 1032 NH2 ARG A 62 12.185 -3.972 -4.205 1.00 0.00 N ATOM 0 H ARG A 62 5.071 -6.315 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 62 7.353 -8.275 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.219 -5.343 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.643 -6.351 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.696 -6.738 -5.995 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.214 -5.824 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.100 -4.345 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.369 -3.795 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 62 10.475 -5.720 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.843 -2.486 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.375 -1.839 -5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.432 -4.892 -3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.828 -3.188 -4.091 1.00 0.00 H new ATOM 1046 N LEU A 63 5.366 -7.715 -2.159 1.00 0.00 N ATOM 1047 CA LEU A 63 5.040 -8.064 -0.735 1.00 0.00 C ATOM 1048 C LEU A 63 4.123 -9.286 -0.666 1.00 0.00 C ATOM 1049 O LEU A 63 4.465 -10.296 -0.087 1.00 0.00 O ATOM 1050 CB LEU A 63 4.327 -6.879 -0.081 1.00 0.00 C ATOM 1051 CG LEU A 63 5.309 -5.714 0.109 1.00 0.00 C ATOM 1052 CD1 LEU A 63 4.536 -4.476 0.574 1.00 0.00 C ATOM 1053 CD2 LEU A 63 6.389 -6.082 1.149 1.00 0.00 C ATOM 0 H LEU A 63 4.572 -7.394 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 63 5.970 -8.292 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.489 -6.561 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.915 -7.179 0.883 1.00 0.00 H new ATOM 0 HG LEU A 63 5.803 -5.504 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.228 -3.645 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.792 -4.209 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.037 -4.692 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.077 -5.245 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.914 -6.304 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.941 -6.958 0.807 1.00 0.00 H new ATOM 1065 N LEU A 64 2.944 -9.186 -1.220 1.00 0.00 N ATOM 1066 CA LEU A 64 1.983 -10.322 -1.156 1.00 0.00 C ATOM 1067 C LEU A 64 2.696 -11.657 -1.445 1.00 0.00 C ATOM 1068 O LEU A 64 2.607 -12.580 -0.660 1.00 0.00 O ATOM 1069 CB LEU A 64 0.835 -10.073 -2.164 1.00 0.00 C ATOM 1070 CG LEU A 64 -0.464 -9.699 -1.428 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.952 -10.885 -0.562 1.00 0.00 C ATOM 1072 CD2 LEU A 64 -0.211 -8.447 -0.556 1.00 0.00 C ATOM 0 H LEU A 64 2.605 -8.362 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 64 1.566 -10.387 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.114 -9.273 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.673 -10.967 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.244 -9.474 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.871 -10.606 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.141 -11.748 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.188 -11.138 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.128 -8.177 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.572 -8.662 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.101 -7.618 -1.191 1.00 0.00 H new ATOM 1084 N PRO A 65 3.393 -11.776 -2.547 1.00 0.00 N ATOM 1085 CA PRO A 65 4.102 -13.043 -2.885 1.00 0.00 C ATOM 1086 C PRO A 65 4.942 -13.557 -1.709 1.00 0.00 C ATOM 1087 O PRO A 65 4.908 -14.724 -1.370 1.00 0.00 O ATOM 1088 CB PRO A 65 5.019 -12.649 -4.053 1.00 0.00 C ATOM 1089 CG PRO A 65 4.368 -11.461 -4.688 1.00 0.00 C ATOM 1090 CD PRO A 65 3.577 -10.745 -3.586 1.00 0.00 C ATOM 0 HA PRO A 65 3.406 -13.846 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.021 -12.406 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.122 -13.468 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.116 -10.796 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.708 -11.770 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.122 -9.883 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.620 -10.378 -3.957 1.00 0.00 H new ATOM 1098 N ASP A 66 5.692 -12.691 -1.092 1.00 0.00 N ATOM 1099 CA ASP A 66 6.539 -13.113 0.055 1.00 0.00 C ATOM 1100 C ASP A 66 5.656 -13.573 1.220 1.00 0.00 C ATOM 1101 O ASP A 66 5.897 -14.593 1.831 1.00 0.00 O ATOM 1102 CB ASP A 66 7.383 -11.923 0.511 1.00 0.00 C ATOM 1103 CG ASP A 66 8.476 -11.637 -0.521 1.00 0.00 C ATOM 1104 OD1 ASP A 66 8.727 -12.501 -1.346 1.00 0.00 O ATOM 1105 OD2 ASP A 66 9.041 -10.558 -0.469 1.00 0.00 O ATOM 0 H ASP A 66 5.755 -11.702 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 66 7.181 -13.937 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.751 -11.044 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.832 -12.135 1.481 1.00 0.00 H new ATOM 1110 N MET A 67 4.646 -12.812 1.538 1.00 0.00 N ATOM 1111 CA MET A 67 3.756 -13.180 2.671 1.00 0.00 C ATOM 1112 C MET A 67 3.008 -14.479 2.353 1.00 0.00 C ATOM 1113 O MET A 67 2.889 -15.360 3.180 1.00 0.00 O ATOM 1114 CB MET A 67 2.740 -12.055 2.877 1.00 0.00 C ATOM 1115 CG MET A 67 3.475 -10.763 3.250 1.00 0.00 C ATOM 1116 SD MET A 67 4.279 -10.947 4.862 1.00 0.00 S ATOM 1117 CE MET A 67 2.845 -10.548 5.897 1.00 0.00 C ATOM 0 H MET A 67 4.399 -11.947 1.058 1.00 0.00 H new ATOM 0 HA MET A 67 4.353 -13.326 3.571 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.158 -11.905 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.037 -12.326 3.664 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.219 -10.526 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.772 -9.931 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.942 -9.531 6.277 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.934 -10.628 5.303 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.795 -11.245 6.734 1.00 0.00 H new ATOM 1127 N LEU A 68 2.499 -14.601 1.158 1.00 0.00 N ATOM 1128 CA LEU A 68 1.752 -15.836 0.778 1.00 0.00 C ATOM 1129 C LEU A 68 2.695 -17.039 0.770 1.00 0.00 C ATOM 1130 O LEU A 68 2.346 -18.116 1.203 1.00 0.00 O ATOM 1131 CB LEU A 68 1.158 -15.652 -0.617 1.00 0.00 C ATOM 1132 CG LEU A 68 0.031 -14.607 -0.576 1.00 0.00 C ATOM 1133 CD1 LEU A 68 -0.323 -14.194 -2.013 1.00 0.00 C ATOM 1134 CD2 LEU A 68 -1.221 -15.182 0.122 1.00 0.00 C ATOM 0 H LEU A 68 2.568 -13.896 0.424 1.00 0.00 H new ATOM 0 HA LEU A 68 0.957 -16.012 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.935 -15.334 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.771 -16.602 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 68 0.372 -13.739 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.122 -13.453 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.556 -13.767 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.655 -15.069 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.007 -14.427 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.572 -16.057 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.969 -15.468 1.143 1.00 0.00 H new ATOM 1146 N ARG A 69 3.883 -16.870 0.265 1.00 0.00 N ATOM 1147 CA ARG A 69 4.841 -18.009 0.218 1.00 0.00 C ATOM 1148 C ARG A 69 5.232 -18.421 1.639 1.00 0.00 C ATOM 1149 O ARG A 69 5.283 -19.589 1.966 1.00 0.00 O ATOM 1150 CB ARG A 69 6.088 -17.576 -0.552 1.00 0.00 C ATOM 1151 CG ARG A 69 7.046 -18.761 -0.691 1.00 0.00 C ATOM 1152 CD ARG A 69 8.246 -18.351 -1.550 1.00 0.00 C ATOM 1153 NE ARG A 69 9.037 -17.308 -0.833 1.00 0.00 N ATOM 1154 CZ ARG A 69 10.030 -16.708 -1.437 1.00 0.00 C ATOM 1155 NH1 ARG A 69 10.330 -17.018 -2.670 1.00 0.00 N ATOM 1156 NH2 ARG A 69 10.723 -15.800 -0.807 1.00 0.00 N ATOM 0 H ARG A 69 4.233 -15.992 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 69 4.374 -18.859 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.808 -17.205 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.582 -16.756 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.384 -19.086 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.531 -19.607 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.872 -19.219 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.905 -17.967 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 69 8.803 -17.063 0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.790 -17.729 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.105 -16.549 -3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.490 -15.558 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.497 -15.332 -1.278 1.00 0.00 H new ATOM 1170 N LYS A 70 5.512 -17.469 2.488 1.00 0.00 N ATOM 1171 CA LYS A 70 5.902 -17.807 3.885 1.00 0.00 C ATOM 1172 C LYS A 70 4.685 -18.338 4.647 1.00 0.00 C ATOM 1173 O LYS A 70 4.737 -19.373 5.279 1.00 0.00 O ATOM 1174 CB LYS A 70 6.423 -16.546 4.575 1.00 0.00 C ATOM 1175 CG LYS A 70 7.746 -16.118 3.932 1.00 0.00 C ATOM 1176 CD LYS A 70 8.261 -14.851 4.621 1.00 0.00 C ATOM 1177 CE LYS A 70 9.609 -14.447 4.019 1.00 0.00 C ATOM 1178 NZ LYS A 70 9.386 -13.772 2.708 1.00 0.00 N ATOM 0 H LYS A 70 5.487 -16.472 2.273 1.00 0.00 H new ATOM 0 HA LYS A 70 6.679 -18.572 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.690 -15.744 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.568 -16.735 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.481 -16.918 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.602 -15.933 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.541 -14.042 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.368 -15.026 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.137 -13.779 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.238 -15.327 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.101 -14.095 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.437 -14.008 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.464 -12.742 2.830 1.00 0.00 H new ATOM 1192 N ASP A 71 3.588 -17.633 4.587 1.00 0.00 N ATOM 1193 CA ASP A 71 2.362 -18.089 5.296 1.00 0.00 C ATOM 1194 C ASP A 71 1.858 -19.386 4.661 1.00 0.00 C ATOM 1195 O ASP A 71 1.466 -20.315 5.336 1.00 0.00 O ATOM 1196 CB ASP A 71 1.284 -17.011 5.181 1.00 0.00 C ATOM 1197 CG ASP A 71 1.664 -15.815 6.056 1.00 0.00 C ATOM 1198 OD1 ASP A 71 2.532 -15.973 6.899 1.00 0.00 O ATOM 1199 OD2 ASP A 71 1.079 -14.761 5.870 1.00 0.00 O ATOM 0 H ASP A 71 3.489 -16.757 4.074 1.00 0.00 H new ATOM 0 HA ASP A 71 2.591 -18.267 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.178 -16.697 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.319 -17.411 5.493 1.00 0.00 H new ATOM 1204 N GLY A 72 1.863 -19.445 3.358 1.00 0.00 N ATOM 1205 CA GLY A 72 1.382 -20.667 2.659 1.00 0.00 C ATOM 1206 C GLY A 72 -0.107 -20.866 2.943 1.00 0.00 C ATOM 1207 O GLY A 72 -0.516 -21.880 3.474 1.00 0.00 O ATOM 0 H GLY A 72 2.182 -18.694 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.549 -20.574 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.946 -21.537 2.995 1.00 0.00 H new ATOM 1211 N LYS A 73 -0.922 -19.900 2.590 1.00 0.00 N ATOM 1212 CA LYS A 73 -2.396 -20.009 2.828 1.00 0.00 C ATOM 1213 C LYS A 73 -3.140 -19.695 1.526 1.00 0.00 C ATOM 1214 O LYS A 73 -4.072 -18.918 1.493 1.00 0.00 O ATOM 1215 CB LYS A 73 -2.806 -19.028 3.930 1.00 0.00 C ATOM 1216 CG LYS A 73 -2.334 -17.616 3.576 1.00 0.00 C ATOM 1217 CD LYS A 73 -2.684 -16.671 4.727 1.00 0.00 C ATOM 1218 CE LYS A 73 -2.251 -15.246 4.376 1.00 0.00 C ATOM 1219 NZ LYS A 73 -0.762 -15.172 4.341 1.00 0.00 N ATOM 0 H LYS A 73 -0.625 -19.033 2.143 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.651 -21.020 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.889 -19.038 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.374 -19.337 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.258 -17.612 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.810 -17.280 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.757 -16.698 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.188 -16.997 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.663 -14.957 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.643 -14.544 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.469 -14.217 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.382 -15.381 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.396 -15.867 3.659 1.00 0.00 H new ATOM 1233 N ASP A 74 -2.723 -20.311 0.454 1.00 0.00 N ATOM 1234 CA ASP A 74 -3.382 -20.084 -0.864 1.00 0.00 C ATOM 1235 C ASP A 74 -3.250 -18.600 -1.263 1.00 0.00 C ATOM 1236 O ASP A 74 -3.168 -17.735 -0.415 1.00 0.00 O ATOM 1237 CB ASP A 74 -4.870 -20.515 -0.771 1.00 0.00 C ATOM 1238 CG ASP A 74 -5.798 -19.302 -0.583 1.00 0.00 C ATOM 1239 OD1 ASP A 74 -6.030 -18.605 -1.557 1.00 0.00 O ATOM 1240 OD2 ASP A 74 -6.265 -19.102 0.526 1.00 0.00 O ATOM 0 H ASP A 74 -1.945 -20.970 0.435 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.897 -20.683 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.151 -21.053 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.998 -21.205 0.063 1.00 0.00 H new ATOM 1245 N PRO A 75 -3.235 -18.311 -2.544 1.00 0.00 N ATOM 1246 CA PRO A 75 -3.122 -16.906 -3.046 1.00 0.00 C ATOM 1247 C PRO A 75 -4.338 -16.055 -2.653 1.00 0.00 C ATOM 1248 O PRO A 75 -5.459 -16.521 -2.631 1.00 0.00 O ATOM 1249 CB PRO A 75 -3.012 -17.062 -4.577 1.00 0.00 C ATOM 1250 CG PRO A 75 -3.581 -18.414 -4.881 1.00 0.00 C ATOM 1251 CD PRO A 75 -3.321 -19.280 -3.647 1.00 0.00 C ATOM 0 HA PRO A 75 -2.267 -16.384 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.566 -16.278 -5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.975 -16.989 -4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.649 -18.348 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.109 -18.844 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.126 -19.997 -3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.399 -19.852 -3.748 1.00 0.00 H new ATOM 1259 N ASN A 76 -4.113 -14.808 -2.332 1.00 0.00 N ATOM 1260 CA ASN A 76 -5.230 -13.910 -1.926 1.00 0.00 C ATOM 1261 C ASN A 76 -5.749 -13.140 -3.140 1.00 0.00 C ATOM 1262 O ASN A 76 -5.285 -13.313 -4.248 1.00 0.00 O ATOM 1263 CB ASN A 76 -4.716 -12.925 -0.881 1.00 0.00 C ATOM 1264 CG ASN A 76 -5.890 -12.144 -0.297 1.00 0.00 C ATOM 1265 OD1 ASN A 76 -6.965 -12.682 -0.122 1.00 0.00 O ATOM 1266 ND2 ASN A 76 -5.730 -10.888 0.012 1.00 0.00 N ATOM 0 H ASN A 76 -3.192 -14.370 -2.334 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.043 -14.505 -1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.191 -13.459 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.999 -12.240 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.508 -10.355 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.827 -10.438 -0.135 1.00 0.00 H new ATOM 1273 N GLN A 77 -6.713 -12.287 -2.932 1.00 0.00 N ATOM 1274 CA GLN A 77 -7.271 -11.499 -4.065 1.00 0.00 C ATOM 1275 C GLN A 77 -6.364 -10.306 -4.365 1.00 0.00 C ATOM 1276 O GLN A 77 -6.302 -9.352 -3.615 1.00 0.00 O ATOM 1277 CB GLN A 77 -8.669 -10.997 -3.692 1.00 0.00 C ATOM 1278 CG GLN A 77 -9.264 -10.219 -4.868 1.00 0.00 C ATOM 1279 CD GLN A 77 -10.728 -9.883 -4.576 1.00 0.00 C ATOM 1280 OE1 GLN A 77 -11.334 -10.464 -3.695 1.00 0.00 O ATOM 1281 NE2 GLN A 77 -11.328 -8.965 -5.284 1.00 0.00 N ATOM 0 H GLN A 77 -7.139 -12.102 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.332 -12.133 -4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.313 -11.839 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.614 -10.358 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.697 -9.303 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.192 -10.810 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.821 -8.478 -6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.304 -8.735 -5.099 1.00 0.00 H new ATOM 1290 N PHE A 78 -5.668 -10.352 -5.472 1.00 0.00 N ATOM 1291 CA PHE A 78 -4.761 -9.231 -5.864 1.00 0.00 C ATOM 1292 C PHE A 78 -5.381 -8.500 -7.054 1.00 0.00 C ATOM 1293 O PHE A 78 -4.769 -7.646 -7.664 1.00 0.00 O ATOM 1294 CB PHE A 78 -3.401 -9.807 -6.268 1.00 0.00 C ATOM 1295 CG PHE A 78 -3.577 -10.760 -7.428 1.00 0.00 C ATOM 1296 CD1 PHE A 78 -3.512 -10.281 -8.740 1.00 0.00 C ATOM 1297 CD2 PHE A 78 -3.801 -12.123 -7.191 1.00 0.00 C ATOM 1298 CE1 PHE A 78 -3.669 -11.162 -9.818 1.00 0.00 C ATOM 1299 CE2 PHE A 78 -3.959 -13.005 -8.269 1.00 0.00 C ATOM 1300 CZ PHE A 78 -3.894 -12.523 -9.581 1.00 0.00 C ATOM 0 H PHE A 78 -5.690 -11.131 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.628 -8.540 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.722 -9.001 -6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.950 -10.327 -5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.341 -9.230 -8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.852 -12.494 -6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.616 -10.791 -10.831 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.131 -14.056 -8.087 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.018 -13.202 -10.412 1.00 0.00 H new ATOM 1310 N THR A 79 -6.596 -8.841 -7.397 1.00 0.00 N ATOM 1311 CA THR A 79 -7.257 -8.177 -8.554 1.00 0.00 C ATOM 1312 C THR A 79 -7.429 -6.688 -8.267 1.00 0.00 C ATOM 1313 O THR A 79 -7.937 -6.296 -7.235 1.00 0.00 O ATOM 1314 CB THR A 79 -8.628 -8.817 -8.794 1.00 0.00 C ATOM 1315 OG1 THR A 79 -8.473 -10.225 -8.906 1.00 0.00 O ATOM 1316 CG2 THR A 79 -9.235 -8.263 -10.084 1.00 0.00 C ATOM 0 H THR A 79 -7.157 -9.550 -6.925 1.00 0.00 H new ATOM 0 HA THR A 79 -6.638 -8.300 -9.442 1.00 0.00 H new ATOM 0 HB THR A 79 -9.290 -8.587 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.348 -10.639 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.210 -8.720 -10.253 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.350 -7.183 -9.997 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.577 -8.491 -10.923 1.00 0.00 H new ATOM 1324 N ILE A 80 -7.004 -5.850 -9.176 1.00 0.00 N ATOM 1325 CA ILE A 80 -7.132 -4.378 -8.967 1.00 0.00 C ATOM 1326 C ILE A 80 -8.444 -3.876 -9.578 1.00 0.00 C ATOM 1327 O ILE A 80 -8.795 -4.206 -10.693 1.00 0.00 O ATOM 1328 CB ILE A 80 -5.932 -3.675 -9.608 1.00 0.00 C ATOM 1329 CG1 ILE A 80 -5.777 -4.113 -11.069 1.00 0.00 C ATOM 1330 CG2 ILE A 80 -4.666 -4.044 -8.837 1.00 0.00 C ATOM 1331 CD1 ILE A 80 -4.618 -3.346 -11.710 1.00 0.00 C ATOM 0 H ILE A 80 -6.572 -6.124 -10.058 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.146 -4.156 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.092 -2.597 -9.576 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.590 -5.186 -11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.700 -3.923 -11.617 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.807 -3.547 -9.288 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.766 -3.725 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.520 -5.124 -8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.507 -3.656 -12.749 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.824 -2.276 -11.671 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.697 -3.558 -11.167 1.00 0.00 H new ATOM 1343 N SER A 81 -9.174 -3.084 -8.843 1.00 0.00 N ATOM 1344 CA SER A 81 -10.466 -2.554 -9.359 1.00 0.00 C ATOM 1345 C SER A 81 -10.207 -1.301 -10.198 1.00 0.00 C ATOM 1346 O SER A 81 -11.109 -0.753 -10.802 1.00 0.00 O ATOM 1347 CB SER A 81 -11.356 -2.196 -8.168 1.00 0.00 C ATOM 1348 OG SER A 81 -12.610 -1.723 -8.638 1.00 0.00 O ATOM 0 H SER A 81 -8.929 -2.779 -7.901 1.00 0.00 H new ATOM 0 HA SER A 81 -10.956 -3.304 -9.980 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.500 -3.070 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.874 -1.433 -7.557 1.00 0.00 H new ATOM 0 HG SER A 81 -12.547 -0.764 -8.828 1.00 0.00 H new ATOM 1354 N ARG A 82 -8.984 -0.838 -10.236 1.00 0.00 N ATOM 1355 CA ARG A 82 -8.663 0.390 -11.030 1.00 0.00 C ATOM 1356 C ARG A 82 -8.117 0.007 -12.407 1.00 0.00 C ATOM 1357 O ARG A 82 -8.151 -1.139 -12.807 1.00 0.00 O ATOM 1358 CB ARG A 82 -7.619 1.220 -10.286 1.00 0.00 C ATOM 1359 CG ARG A 82 -8.245 1.804 -9.018 1.00 0.00 C ATOM 1360 CD ARG A 82 -7.188 2.592 -8.241 1.00 0.00 C ATOM 1361 NE ARG A 82 -6.726 3.751 -9.060 1.00 0.00 N ATOM 1362 CZ ARG A 82 -7.381 4.883 -9.033 1.00 0.00 C ATOM 1363 NH1 ARG A 82 -8.455 5.002 -8.299 1.00 0.00 N ATOM 1364 NH2 ARG A 82 -6.963 5.894 -9.743 1.00 0.00 N ATOM 0 H ARG A 82 -8.191 -1.257 -9.751 1.00 0.00 H new ATOM 0 HA ARG A 82 -9.575 0.972 -11.160 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.761 0.599 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.252 2.022 -10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.080 2.455 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.647 1.004 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.603 2.944 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.344 1.946 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.895 3.660 -9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.785 4.211 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.964 5.886 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.126 5.802 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.473 6.777 -9.723 1.00 0.00 H new ATOM 1378 N ARG A 83 -7.624 0.970 -13.140 1.00 0.00 N ATOM 1379 CA ARG A 83 -7.087 0.682 -14.500 1.00 0.00 C ATOM 1380 C ARG A 83 -5.691 0.062 -14.400 1.00 0.00 C ATOM 1381 O ARG A 83 -4.880 0.453 -13.585 1.00 0.00 O ATOM 1382 CB ARG A 83 -7.011 1.986 -15.293 1.00 0.00 C ATOM 1383 CG ARG A 83 -8.428 2.500 -15.552 1.00 0.00 C ATOM 1384 CD ARG A 83 -8.361 3.813 -16.332 1.00 0.00 C ATOM 1385 NE ARG A 83 -9.745 4.312 -16.591 1.00 0.00 N ATOM 1386 CZ ARG A 83 -10.346 5.085 -15.723 1.00 0.00 C ATOM 1387 NH1 ARG A 83 -9.749 5.413 -14.610 1.00 0.00 N ATOM 1388 NH2 ARG A 83 -11.549 5.528 -15.971 1.00 0.00 N ATOM 0 H ARG A 83 -7.570 1.947 -12.853 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.748 -0.023 -15.004 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.437 2.729 -14.740 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.493 1.822 -16.238 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.997 1.760 -16.114 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.949 2.653 -14.607 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.796 4.555 -15.768 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.836 3.661 -17.275 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.225 4.048 -17.451 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.810 5.067 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.221 6.016 -13.936 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.018 5.271 -16.840 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.020 6.131 -15.296 1.00 0.00 H new ATOM 1402 N GLY A 84 -5.411 -0.912 -15.227 1.00 0.00 N ATOM 1403 CA GLY A 84 -4.077 -1.577 -15.193 1.00 0.00 C ATOM 1404 C GLY A 84 -3.093 -0.855 -16.117 1.00 0.00 C ATOM 1405 O GLY A 84 -3.426 -0.454 -17.214 1.00 0.00 O ATOM 0 H GLY A 84 -6.055 -1.277 -15.929 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.692 -1.580 -14.173 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.175 -2.618 -15.500 1.00 0.00 H new ATOM 1409 N ALA A 85 -1.877 -0.709 -15.674 1.00 0.00 N ATOM 1410 CA ALA A 85 -0.830 -0.036 -16.501 1.00 0.00 C ATOM 1411 C ALA A 85 -1.341 1.300 -17.041 1.00 0.00 C ATOM 1412 O ALA A 85 -2.479 1.675 -16.847 1.00 0.00 O ATOM 1413 CB ALA A 85 -0.448 -0.937 -17.674 1.00 0.00 C ATOM 0 H ALA A 85 -1.556 -1.031 -14.761 1.00 0.00 H new ATOM 0 HA ALA A 85 0.040 0.149 -15.871 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.316 -0.445 -18.277 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.059 -1.882 -17.295 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.328 -1.127 -18.288 1.00 0.00 H new ATOM 1419 N LYS A 86 -0.489 2.022 -17.722 1.00 0.00 N ATOM 1420 CA LYS A 86 -0.891 3.341 -18.290 1.00 0.00 C ATOM 1421 C LYS A 86 -1.320 3.148 -19.747 1.00 0.00 C ATOM 1422 O LYS A 86 -1.841 4.048 -20.379 1.00 0.00 O ATOM 1423 CB LYS A 86 0.308 4.291 -18.219 1.00 0.00 C ATOM 1424 CG LYS A 86 -0.144 5.718 -18.526 1.00 0.00 C ATOM 1425 CD LYS A 86 1.029 6.681 -18.325 1.00 0.00 C ATOM 1426 CE LYS A 86 0.564 8.109 -18.614 1.00 0.00 C ATOM 1427 NZ LYS A 86 1.689 9.060 -18.387 1.00 0.00 N ATOM 0 H LYS A 86 0.476 1.751 -17.910 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.723 3.761 -17.725 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.760 4.248 -17.228 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.072 3.981 -18.931 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.509 5.782 -19.551 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.972 5.996 -17.874 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.404 6.608 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.852 6.413 -18.987 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.212 8.186 -19.643 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.277 8.365 -17.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.369 10.030 -18.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.005 8.994 -17.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.479 8.821 -19.020 1.00 0.00 H new ATOM 1441 N ILE A 87 -1.111 1.976 -20.282 1.00 0.00 N ATOM 1442 CA ILE A 87 -1.509 1.707 -21.698 1.00 0.00 C ATOM 1443 C ILE A 87 -2.956 1.201 -21.742 1.00 0.00 C ATOM 1444 O ILE A 87 -3.867 1.932 -22.070 1.00 0.00 O ATOM 1445 CB ILE A 87 -0.580 0.642 -22.294 1.00 0.00 C ATOM 1446 CG1 ILE A 87 0.849 1.191 -22.376 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -1.062 0.268 -23.696 1.00 0.00 C ATOM 1448 CD1 ILE A 87 1.819 0.055 -22.715 1.00 0.00 C ATOM 0 H ILE A 87 -0.680 1.188 -19.799 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.431 2.628 -22.276 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.592 -0.242 -21.657 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.907 1.970 -23.136 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.128 1.650 -21.427 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.401 -0.489 -24.118 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.076 -0.127 -23.639 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.053 1.153 -24.332 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.834 0.448 -22.773 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.769 -0.709 -21.939 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.545 -0.383 -23.675 1.00 0.00 H new ATOM 1460 N SER A 88 -3.166 -0.050 -21.418 1.00 0.00 N ATOM 1461 CA SER A 88 -4.546 -0.622 -21.444 1.00 0.00 C ATOM 1462 C SER A 88 -5.217 -0.301 -22.786 1.00 0.00 C ATOM 1463 O SER A 88 -5.689 0.795 -23.012 1.00 0.00 O ATOM 1464 CB SER A 88 -5.375 -0.042 -20.295 1.00 0.00 C ATOM 1465 OG SER A 88 -4.993 -0.676 -19.082 1.00 0.00 O ATOM 0 H SER A 88 -2.436 -0.703 -21.135 1.00 0.00 H new ATOM 0 HA SER A 88 -4.485 -1.704 -21.325 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.217 1.034 -20.223 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.438 -0.197 -20.482 1.00 0.00 H new ATOM 0 HG SER A 88 -4.215 -0.216 -18.704 1.00 0.00 H new ATOM 1471 N GLU A 89 -5.261 -1.256 -23.675 1.00 0.00 N ATOM 1472 CA GLU A 89 -5.893 -1.019 -25.001 1.00 0.00 C ATOM 1473 C GLU A 89 -7.411 -1.190 -24.885 1.00 0.00 C ATOM 1474 O GLU A 89 -8.124 -0.311 -25.345 1.00 0.00 O ATOM 1475 CB GLU A 89 -5.346 -2.034 -26.009 1.00 0.00 C ATOM 1476 CG GLU A 89 -3.841 -1.796 -26.231 1.00 0.00 C ATOM 1477 CD GLU A 89 -3.032 -2.465 -25.114 1.00 0.00 C ATOM 1478 OE1 GLU A 89 -3.642 -2.983 -24.193 1.00 0.00 O ATOM 1479 OE2 GLU A 89 -1.815 -2.451 -25.201 1.00 0.00 O ATOM 1480 OXT GLU A 89 -7.837 -2.195 -24.341 1.00 0.00 O ATOM 0 H GLU A 89 -4.884 -2.194 -23.538 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.666 -0.007 -25.336 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.512 -3.047 -25.644 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.880 -1.944 -26.955 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.540 -2.197 -27.199 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.633 -0.726 -26.251 1.00 0.00 H new TER 1487 GLU A 89