USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 924 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 106 LYS NZ :NH3+ 148:sc= 0.932 (180deg=0.0188) USER MOD Set 1.2: A 107 TYR OH : rot -31:sc= 0.709 USER MOD Set 2.1: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 38 MET CE :methyl 136:sc= -1.77 (180deg=-2.21!) USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 121:sc= 0.00781 USER MOD Set 4.3: A 35 TYR OH : rot 180:sc= 0.00702 USER MOD Set 5.1: A 13 LYS NZ :NH3+ 155:sc=-0.00564 (180deg=-0.0828) USER MOD Set 5.2: A 27 MET CE :methyl -120:sc= -0.796 (180deg=-4.35!) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -155:sc= -0.0863 (180deg=-0.473) USER MOD Single : A 4 MET CE :methyl -151:sc= -0.285 (180deg=-1.08) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.81! C(o=-2.8!,f=-3.3!) USER MOD Single : A 26 TYR OH : rot 161:sc= 0.126 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -4.49! C(o=-4.5!,f=-9!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.0456 (180deg=-0.27) USER MOD Single : A 47 TYR OH : rot -19:sc= -0.321 USER MOD Single : A 49 SER OG : rot -160:sc= -1.4 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.31 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0768) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -136:sc= -0.895! USER MOD Single : A 68 HIS : no HE2:sc= -7.55! C(o=-7.5!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= -0.408 (180deg=-2.69!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.71) USER MOD Single : A 81 TYR OH : rot 165:sc= -0.0197 USER MOD Single : A 82 THR OG1 : rot -46:sc= 1.02 USER MOD Single : A 83 THR OG1 : rot 170:sc= -0.0387 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 29:sc= 0.923 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.462 F(o=-1.1,f=-0.46) USER MOD Single : A 108 LYS NZ :NH3+ -150:sc=-0.00626 (180deg=-0.443) USER MOD Single : A 111 SER OG : rot -74:sc= 1.07 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 15.800 -8.389 30.425 1.00 0.00 N ATOM 2 CA GLY A 0 16.805 -7.509 31.081 1.00 0.00 C ATOM 3 C GLY A 0 16.573 -6.040 30.782 1.00 0.00 C ATOM 4 O GLY A 0 15.510 -5.499 31.087 1.00 0.00 O ATOM 0 H1 GLY A 0 16.002 -9.382 30.660 1.00 0.00 H new ATOM 0 H2 GLY A 0 14.848 -8.140 30.762 1.00 0.00 H new ATOM 0 H3 GLY A 0 15.847 -8.261 29.394 1.00 0.00 H new ATOM 0 HA2 GLY A 0 16.773 -7.667 32.159 1.00 0.00 H new ATOM 0 HA3 GLY A 0 17.804 -7.791 30.747 1.00 0.00 H new ATOM 10 N SER A 1 17.570 -5.395 30.186 1.00 0.00 N ATOM 11 CA SER A 1 17.470 -3.981 29.846 1.00 0.00 C ATOM 12 C SER A 1 18.638 -3.549 28.965 1.00 0.00 C ATOM 13 O SER A 1 19.128 -2.425 29.075 1.00 0.00 O ATOM 14 CB SER A 1 17.434 -3.130 31.118 1.00 0.00 C ATOM 15 OG SER A 1 18.290 -3.665 32.113 1.00 0.00 O ATOM 0 H SER A 1 18.456 -5.829 29.929 1.00 0.00 H new ATOM 0 HA SER A 1 16.544 -3.832 29.290 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.736 -2.109 30.885 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.414 -3.082 31.499 1.00 0.00 H new ATOM 0 HG SER A 1 18.251 -3.103 32.915 1.00 0.00 H new ATOM 21 N MET A 2 19.077 -4.449 28.092 1.00 0.00 N ATOM 22 CA MET A 2 20.188 -4.161 27.192 1.00 0.00 C ATOM 23 C MET A 2 19.711 -3.380 25.972 1.00 0.00 C ATOM 24 O MET A 2 18.538 -3.019 25.873 1.00 0.00 O ATOM 25 CB MET A 2 20.862 -5.460 26.748 1.00 0.00 C ATOM 26 CG MET A 2 21.431 -6.273 27.898 1.00 0.00 C ATOM 27 SD MET A 2 23.167 -5.902 28.219 1.00 0.00 S ATOM 28 CE MET A 2 23.192 -5.925 30.009 1.00 0.00 C ATOM 0 H MET A 2 18.681 -5.383 27.988 1.00 0.00 H new ATOM 0 HA MET A 2 20.912 -3.550 27.732 1.00 0.00 H new ATOM 0 HB2 MET A 2 20.138 -6.069 26.207 1.00 0.00 H new ATOM 0 HB3 MET A 2 21.664 -5.223 26.049 1.00 0.00 H new ATOM 0 HG2 MET A 2 20.849 -6.078 28.799 1.00 0.00 H new ATOM 0 HG3 MET A 2 21.326 -7.335 27.674 1.00 0.00 H new ATOM 0 HE1 MET A 2 24.201 -5.712 30.362 1.00 0.00 H new ATOM 0 HE2 MET A 2 22.507 -5.169 30.392 1.00 0.00 H new ATOM 0 HE3 MET A 2 22.883 -6.908 30.365 1.00 0.00 H new ATOM 38 N MET A 3 20.628 -3.121 25.045 1.00 0.00 N ATOM 39 CA MET A 3 20.302 -2.382 23.831 1.00 0.00 C ATOM 40 C MET A 3 19.489 -3.246 22.871 1.00 0.00 C ATOM 41 O MET A 3 19.260 -4.429 23.126 1.00 0.00 O ATOM 42 CB MET A 3 21.581 -1.901 23.143 1.00 0.00 C ATOM 43 CG MET A 3 21.453 -0.519 22.522 1.00 0.00 C ATOM 44 SD MET A 3 22.904 0.511 22.812 1.00 0.00 S ATOM 45 CE MET A 3 22.808 0.741 24.585 1.00 0.00 C ATOM 0 H MET A 3 21.603 -3.412 25.112 1.00 0.00 H new ATOM 0 HA MET A 3 19.701 -1.517 24.112 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.393 -1.890 23.870 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.857 -2.615 22.367 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.293 -0.621 21.449 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.572 -0.022 22.929 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.320 1.663 24.861 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.763 0.802 24.888 1.00 0.00 H new ATOM 0 HE3 MET A 3 23.283 -0.102 25.087 1.00 0.00 H new ATOM 55 N MET A 4 19.055 -2.646 21.768 1.00 0.00 N ATOM 56 CA MET A 4 18.267 -3.359 20.769 1.00 0.00 C ATOM 57 C MET A 4 18.592 -2.864 19.363 1.00 0.00 C ATOM 58 O MET A 4 19.113 -1.763 19.188 1.00 0.00 O ATOM 59 CB MET A 4 16.773 -3.188 21.050 1.00 0.00 C ATOM 60 CG MET A 4 16.343 -1.737 21.190 1.00 0.00 C ATOM 61 SD MET A 4 16.698 -1.062 22.825 1.00 0.00 S ATOM 62 CE MET A 4 15.633 -2.075 23.848 1.00 0.00 C ATOM 0 H MET A 4 19.235 -1.668 21.543 1.00 0.00 H new ATOM 0 HA MET A 4 18.522 -4.417 20.830 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.205 -3.651 20.243 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.520 -3.723 21.965 1.00 0.00 H new ATOM 0 HG2 MET A 4 16.851 -1.137 20.435 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.274 -1.658 20.993 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.331 -1.510 24.730 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.748 -2.361 23.280 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.171 -2.971 24.158 1.00 0.00 H new ATOM 72 N ALA A 5 18.281 -3.684 18.365 1.00 0.00 N ATOM 73 CA ALA A 5 18.538 -3.330 16.975 1.00 0.00 C ATOM 74 C ALA A 5 17.494 -2.347 16.456 1.00 0.00 C ATOM 75 O ALA A 5 16.537 -2.015 17.155 1.00 0.00 O ATOM 76 CB ALA A 5 18.567 -4.580 16.108 1.00 0.00 C ATOM 0 H ALA A 5 17.850 -4.599 18.494 1.00 0.00 H new ATOM 0 HA ALA A 5 19.512 -2.844 16.924 1.00 0.00 H new ATOM 0 HB1 ALA A 5 18.760 -4.300 15.072 1.00 0.00 H new ATOM 0 HB2 ALA A 5 19.356 -5.246 16.457 1.00 0.00 H new ATOM 0 HB3 ALA A 5 17.606 -5.090 16.173 1.00 0.00 H new ATOM 82 N LEU A 6 17.685 -1.885 15.224 1.00 0.00 N ATOM 83 CA LEU A 6 16.759 -0.940 14.611 1.00 0.00 C ATOM 84 C LEU A 6 15.956 -1.608 13.498 1.00 0.00 C ATOM 85 O LEU A 6 16.088 -2.808 13.260 1.00 0.00 O ATOM 86 CB LEU A 6 17.520 0.265 14.052 1.00 0.00 C ATOM 87 CG LEU A 6 18.333 1.052 15.083 1.00 0.00 C ATOM 88 CD1 LEU A 6 19.797 0.641 15.035 1.00 0.00 C ATOM 89 CD2 LEU A 6 18.190 2.548 14.845 1.00 0.00 C ATOM 0 H LEU A 6 18.472 -2.150 14.631 1.00 0.00 H new ATOM 0 HA LEU A 6 16.067 -0.599 15.381 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.194 -0.082 13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.805 0.941 13.582 1.00 0.00 H new ATOM 0 HG LEU A 6 17.945 0.823 16.075 1.00 0.00 H new ATOM 0 HD11 LEU A 6 20.359 1.211 15.775 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.884 -0.423 15.254 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.199 0.840 14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.774 3.092 15.587 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.552 2.794 13.847 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.141 2.831 14.931 1.00 0.00 H new ATOM 101 N SER A 7 15.126 -0.822 12.821 1.00 0.00 N ATOM 102 CA SER A 7 14.302 -1.337 11.734 1.00 0.00 C ATOM 103 C SER A 7 13.857 -0.212 10.805 1.00 0.00 C ATOM 104 O SER A 7 13.568 0.898 11.253 1.00 0.00 O ATOM 105 CB SER A 7 13.078 -2.063 12.294 1.00 0.00 C ATOM 106 OG SER A 7 12.583 -3.018 11.371 1.00 0.00 O ATOM 0 H SER A 7 15.006 0.174 13.006 1.00 0.00 H new ATOM 0 HA SER A 7 14.904 -2.041 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.342 -2.559 13.228 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.297 -1.339 12.527 1.00 0.00 H new ATOM 0 HG SER A 7 11.802 -3.469 11.754 1.00 0.00 H new ATOM 112 N LYS A 8 13.804 -0.506 9.511 1.00 0.00 N ATOM 113 CA LYS A 8 13.393 0.481 8.517 1.00 0.00 C ATOM 114 C LYS A 8 11.935 0.893 8.719 1.00 0.00 C ATOM 115 O LYS A 8 11.493 1.916 8.198 1.00 0.00 O ATOM 116 CB LYS A 8 13.587 -0.076 7.106 1.00 0.00 C ATOM 117 CG LYS A 8 15.040 -0.350 6.754 1.00 0.00 C ATOM 118 CD LYS A 8 15.834 0.939 6.618 1.00 0.00 C ATOM 119 CE LYS A 8 16.793 0.881 5.440 1.00 0.00 C ATOM 120 NZ LYS A 8 18.030 0.119 5.767 1.00 0.00 N ATOM 0 H LYS A 8 14.040 -1.420 9.125 1.00 0.00 H new ATOM 0 HA LYS A 8 14.018 1.365 8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.018 -1.000 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.174 0.630 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.490 -0.976 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.090 -0.909 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.149 1.777 6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.394 1.121 7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.295 0.416 4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.060 1.894 5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.657 0.103 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.519 0.576 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.778 -0.855 6.030 1.00 0.00 H new ATOM 134 N THR A 9 11.191 0.088 9.473 1.00 0.00 N ATOM 135 CA THR A 9 9.784 0.371 9.740 1.00 0.00 C ATOM 136 C THR A 9 9.627 1.162 11.036 1.00 0.00 C ATOM 137 O THR A 9 10.336 0.913 12.011 1.00 0.00 O ATOM 138 CB THR A 9 8.988 -0.934 9.820 1.00 0.00 C ATOM 139 OG1 THR A 9 9.071 -1.496 11.118 1.00 0.00 O ATOM 140 CG2 THR A 9 9.453 -1.986 8.835 1.00 0.00 C ATOM 0 H THR A 9 11.539 -0.765 9.910 1.00 0.00 H new ATOM 0 HA THR A 9 9.395 0.974 8.920 1.00 0.00 H new ATOM 0 HB THR A 9 7.963 -0.658 9.573 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.171 -1.576 11.498 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.845 -2.884 8.947 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.351 -1.604 7.819 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.498 -2.229 9.028 1.00 0.00 H new ATOM 148 N PHE A 10 8.700 2.116 11.043 1.00 0.00 N ATOM 149 CA PHE A 10 8.467 2.937 12.229 1.00 0.00 C ATOM 150 C PHE A 10 6.978 3.151 12.474 1.00 0.00 C ATOM 151 O PHE A 10 6.265 3.629 11.595 1.00 0.00 O ATOM 152 CB PHE A 10 9.136 4.305 12.063 1.00 0.00 C ATOM 153 CG PHE A 10 10.211 4.341 11.011 1.00 0.00 C ATOM 154 CD1 PHE A 10 10.034 5.080 9.852 1.00 0.00 C ATOM 155 CD2 PHE A 10 11.391 3.636 11.178 1.00 0.00 C ATOM 156 CE1 PHE A 10 11.015 5.116 8.880 1.00 0.00 C ATOM 157 CE2 PHE A 10 12.376 3.668 10.209 1.00 0.00 C ATOM 158 CZ PHE A 10 12.188 4.409 9.058 1.00 0.00 C ATOM 0 H PHE A 10 8.102 2.339 10.248 1.00 0.00 H new ATOM 0 HA PHE A 10 8.894 2.408 13.081 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.373 5.042 11.813 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.567 4.604 13.018 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.118 5.634 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.543 3.055 12.075 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.865 5.696 7.982 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.292 3.114 10.351 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.956 4.435 8.299 1.00 0.00 H new ATOM 168 N GLY A 11 6.516 2.832 13.681 1.00 0.00 N ATOM 169 CA GLY A 11 5.117 3.040 13.996 1.00 0.00 C ATOM 170 C GLY A 11 4.274 1.799 13.793 1.00 0.00 C ATOM 171 O GLY A 11 4.795 0.713 13.541 1.00 0.00 O ATOM 0 H GLY A 11 7.078 2.439 14.436 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.028 3.367 15.032 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.726 3.844 13.373 1.00 0.00 H new ATOM 175 N GLN A 12 2.962 1.972 13.881 1.00 0.00 N ATOM 176 CA GLN A 12 2.023 0.880 13.678 1.00 0.00 C ATOM 177 C GLN A 12 2.058 0.439 12.217 1.00 0.00 C ATOM 178 O GLN A 12 2.460 1.208 11.344 1.00 0.00 O ATOM 179 CB GLN A 12 0.607 1.307 14.070 1.00 0.00 C ATOM 180 CG GLN A 12 0.004 2.351 13.143 1.00 0.00 C ATOM 181 CD GLN A 12 -1.229 3.011 13.729 1.00 0.00 C ATOM 182 OE1 GLN A 12 -1.177 3.604 14.806 1.00 0.00 O ATOM 183 NE2 GLN A 12 -2.348 2.910 13.020 1.00 0.00 N ATOM 0 H GLN A 12 2.522 2.867 14.094 1.00 0.00 H new ATOM 0 HA GLN A 12 2.313 0.043 14.312 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.038 0.428 14.081 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.624 1.703 15.086 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.752 3.114 12.927 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.256 1.882 12.194 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.345 2.409 12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.210 3.334 13.364 1.00 0.00 H new ATOM 192 N LYS A 13 1.650 -0.795 11.950 1.00 0.00 N ATOM 193 CA LYS A 13 1.660 -1.310 10.585 1.00 0.00 C ATOM 194 C LYS A 13 0.606 -0.594 9.745 1.00 0.00 C ATOM 195 O LYS A 13 -0.461 -0.240 10.246 1.00 0.00 O ATOM 196 CB LYS A 13 1.389 -2.823 10.587 1.00 0.00 C ATOM 197 CG LYS A 13 1.214 -3.427 9.198 1.00 0.00 C ATOM 198 CD LYS A 13 2.536 -3.926 8.637 1.00 0.00 C ATOM 199 CE LYS A 13 2.798 -5.373 9.022 1.00 0.00 C ATOM 200 NZ LYS A 13 2.591 -6.300 7.875 1.00 0.00 N ATOM 0 H LYS A 13 1.311 -1.453 12.652 1.00 0.00 H new ATOM 0 HA LYS A 13 2.643 -1.128 10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.214 -3.328 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.491 -3.019 11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.503 -4.252 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.791 -2.680 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.529 -3.834 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.348 -3.299 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.820 -5.472 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.137 -5.656 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.155 -7.162 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.584 -6.552 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.889 -5.834 6.994 1.00 0.00 H new ATOM 214 N PRO A 14 0.897 -0.356 8.452 1.00 0.00 N ATOM 215 CA PRO A 14 -0.031 0.337 7.557 1.00 0.00 C ATOM 216 C PRO A 14 -1.356 -0.401 7.437 1.00 0.00 C ATOM 217 O PRO A 14 -1.432 -1.604 7.690 1.00 0.00 O ATOM 218 CB PRO A 14 0.698 0.349 6.209 1.00 0.00 C ATOM 219 CG PRO A 14 2.135 0.144 6.544 1.00 0.00 C ATOM 220 CD PRO A 14 2.152 -0.721 7.770 1.00 0.00 C ATOM 0 HA PRO A 14 -0.281 1.334 7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.329 -0.441 5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.546 1.293 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.664 -0.336 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.632 1.096 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.180 -1.781 7.516 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.023 -0.520 8.393 1.00 0.00 H new ATOM 228 N VAL A 15 -2.400 0.328 7.069 1.00 0.00 N ATOM 229 CA VAL A 15 -3.723 -0.260 6.938 1.00 0.00 C ATOM 230 C VAL A 15 -3.823 -1.150 5.702 1.00 0.00 C ATOM 231 O VAL A 15 -3.669 -0.687 4.563 1.00 0.00 O ATOM 232 CB VAL A 15 -4.817 0.822 6.892 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.689 1.751 8.090 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.753 1.605 5.589 1.00 0.00 C ATOM 0 H VAL A 15 -2.356 1.325 6.857 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.881 -0.878 7.822 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.789 0.331 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.468 2.512 8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.795 1.176 9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.711 2.232 8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.536 2.363 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.780 2.088 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.897 0.926 4.749 1.00 0.00 H new ATOM 244 N LYS A 16 -4.089 -2.430 5.946 1.00 0.00 N ATOM 245 CA LYS A 16 -4.231 -3.412 4.881 1.00 0.00 C ATOM 246 C LYS A 16 -5.680 -3.876 4.798 1.00 0.00 C ATOM 247 O LYS A 16 -6.441 -3.727 5.752 1.00 0.00 O ATOM 248 CB LYS A 16 -3.309 -4.611 5.127 1.00 0.00 C ATOM 249 CG LYS A 16 -3.462 -5.234 6.506 1.00 0.00 C ATOM 250 CD LYS A 16 -3.200 -6.732 6.472 1.00 0.00 C ATOM 251 CE LYS A 16 -1.994 -7.109 7.315 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.315 -7.126 8.769 1.00 0.00 N ATOM 0 H LYS A 16 -4.211 -2.812 6.884 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.947 -2.947 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.508 -5.371 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.274 -4.294 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.770 -4.758 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.468 -5.048 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.079 -7.264 6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.038 -7.050 5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.632 -8.091 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.186 -6.401 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.466 -7.388 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.636 -6.182 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.068 -7.820 8.950 1.00 0.00 H new ATOM 266 N PHE A 17 -6.062 -4.435 3.658 1.00 0.00 N ATOM 267 CA PHE A 17 -7.427 -4.911 3.473 1.00 0.00 C ATOM 268 C PHE A 17 -7.508 -5.934 2.349 1.00 0.00 C ATOM 269 O PHE A 17 -6.557 -6.116 1.591 1.00 0.00 O ATOM 270 CB PHE A 17 -8.359 -3.736 3.171 1.00 0.00 C ATOM 271 CG PHE A 17 -7.841 -2.827 2.095 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.940 -3.184 0.760 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.253 -1.616 2.420 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.460 -2.351 -0.232 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.772 -0.777 1.434 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.875 -1.144 0.106 1.00 0.00 C ATOM 0 H PHE A 17 -5.451 -4.570 2.852 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.741 -5.394 4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.334 -4.122 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.511 -3.158 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.398 -4.125 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.170 -1.324 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.541 -2.641 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.316 0.165 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.499 -0.490 -0.667 1.00 0.00 H new ATOM 286 N GLN A 18 -8.654 -6.595 2.243 1.00 0.00 N ATOM 287 CA GLN A 18 -8.867 -7.597 1.207 1.00 0.00 C ATOM 288 C GLN A 18 -9.731 -7.033 0.085 1.00 0.00 C ATOM 289 O GLN A 18 -10.804 -6.485 0.333 1.00 0.00 O ATOM 290 CB GLN A 18 -9.527 -8.842 1.799 1.00 0.00 C ATOM 291 CG GLN A 18 -9.047 -10.139 1.172 1.00 0.00 C ATOM 292 CD GLN A 18 -10.183 -11.086 0.847 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.230 -10.672 0.349 1.00 0.00 O ATOM 294 NE2 GLN A 18 -9.981 -12.366 1.129 1.00 0.00 N ATOM 0 H GLN A 18 -9.451 -6.455 2.863 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.897 -7.874 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.332 -8.872 2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.607 -8.765 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.494 -9.914 0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.352 -10.631 1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.097 -12.664 1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.710 -13.052 0.933 1.00 0.00 H new ATOM 303 N LEU A 19 -9.256 -7.167 -1.149 1.00 0.00 N ATOM 304 CA LEU A 19 -9.993 -6.663 -2.304 1.00 0.00 C ATOM 305 C LEU A 19 -10.569 -7.804 -3.142 1.00 0.00 C ATOM 306 O LEU A 19 -11.466 -7.588 -3.957 1.00 0.00 O ATOM 307 CB LEU A 19 -9.089 -5.774 -3.167 1.00 0.00 C ATOM 308 CG LEU A 19 -9.354 -4.269 -3.062 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.574 -3.519 -4.129 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.842 -3.972 -3.189 1.00 0.00 C ATOM 0 H LEU A 19 -8.369 -7.618 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.827 -6.068 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.052 -5.963 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.201 -6.074 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.020 -3.931 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.773 -2.451 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.508 -3.702 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.881 -3.866 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.006 -2.897 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.202 -4.325 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.384 -4.480 -2.391 1.00 0.00 H new ATOM 322 N GLU A 20 -10.055 -9.015 -2.942 1.00 0.00 N ATOM 323 CA GLU A 20 -10.534 -10.174 -3.689 1.00 0.00 C ATOM 324 C GLU A 20 -10.808 -11.354 -2.761 1.00 0.00 C ATOM 325 O GLU A 20 -10.095 -11.568 -1.783 1.00 0.00 O ATOM 326 CB GLU A 20 -9.521 -10.581 -4.763 1.00 0.00 C ATOM 327 CG GLU A 20 -8.827 -9.403 -5.430 1.00 0.00 C ATOM 328 CD GLU A 20 -9.740 -8.648 -6.374 1.00 0.00 C ATOM 329 OE1 GLU A 20 -10.565 -9.298 -7.051 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.632 -7.405 -6.438 1.00 0.00 O ATOM 0 H GLU A 20 -9.312 -9.218 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.469 -9.891 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.768 -11.227 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.031 -11.170 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.459 -8.721 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.958 -9.762 -5.981 1.00 0.00 H new ATOM 337 N ASP A 21 -11.849 -12.114 -3.083 1.00 0.00 N ATOM 338 CA ASP A 21 -12.239 -13.278 -2.291 1.00 0.00 C ATOM 339 C ASP A 21 -11.171 -14.373 -2.324 1.00 0.00 C ATOM 340 O ASP A 21 -11.239 -15.335 -1.558 1.00 0.00 O ATOM 341 CB ASP A 21 -13.568 -13.838 -2.799 1.00 0.00 C ATOM 342 CG ASP A 21 -14.760 -13.050 -2.290 1.00 0.00 C ATOM 343 OD1 ASP A 21 -15.411 -12.365 -3.107 1.00 0.00 O ATOM 344 OD2 ASP A 21 -15.041 -13.119 -1.075 1.00 0.00 O ATOM 0 H ASP A 21 -12.443 -11.944 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.350 -12.949 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.569 -13.830 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.664 -14.878 -2.487 1.00 0.00 H new ATOM 349 N ASP A 22 -10.199 -14.239 -3.222 1.00 0.00 N ATOM 350 CA ASP A 22 -9.142 -15.237 -3.355 1.00 0.00 C ATOM 351 C ASP A 22 -8.044 -15.050 -2.305 1.00 0.00 C ATOM 352 O ASP A 22 -7.069 -15.799 -2.283 1.00 0.00 O ATOM 353 CB ASP A 22 -8.534 -15.174 -4.759 1.00 0.00 C ATOM 354 CG ASP A 22 -8.864 -16.401 -5.587 1.00 0.00 C ATOM 355 OD1 ASP A 22 -9.017 -17.492 -4.998 1.00 0.00 O ATOM 356 OD2 ASP A 22 -8.969 -16.271 -6.825 1.00 0.00 O ATOM 0 H ASP A 22 -10.121 -13.452 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.593 -16.216 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.900 -14.284 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.452 -15.073 -4.679 1.00 0.00 H new ATOM 361 N GLY A 23 -8.211 -14.063 -1.428 1.00 0.00 N ATOM 362 CA GLY A 23 -7.223 -13.828 -0.390 1.00 0.00 C ATOM 363 C GLY A 23 -6.213 -12.759 -0.755 1.00 0.00 C ATOM 364 O GLY A 23 -5.091 -12.763 -0.247 1.00 0.00 O ATOM 0 H GLY A 23 -9.008 -13.426 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.733 -13.538 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.697 -14.759 -0.181 1.00 0.00 H new ATOM 368 N GLU A 24 -6.604 -11.838 -1.628 1.00 0.00 N ATOM 369 CA GLU A 24 -5.710 -10.761 -2.041 1.00 0.00 C ATOM 370 C GLU A 24 -5.772 -9.603 -1.051 1.00 0.00 C ATOM 371 O GLU A 24 -6.820 -8.976 -0.876 1.00 0.00 O ATOM 372 CB GLU A 24 -6.069 -10.275 -3.446 1.00 0.00 C ATOM 373 CG GLU A 24 -5.088 -10.730 -4.515 1.00 0.00 C ATOM 374 CD GLU A 24 -5.721 -10.817 -5.890 1.00 0.00 C ATOM 375 OE1 GLU A 24 -5.606 -9.840 -6.659 1.00 0.00 O ATOM 376 OE2 GLU A 24 -6.332 -11.863 -6.196 1.00 0.00 O ATOM 0 H GLU A 24 -7.527 -11.814 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.692 -11.150 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.066 -10.634 -3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.113 -9.186 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.247 -10.037 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.686 -11.706 -4.242 1.00 0.00 H new ATOM 383 N PHE A 25 -4.646 -9.328 -0.402 1.00 0.00 N ATOM 384 CA PHE A 25 -4.571 -8.252 0.577 1.00 0.00 C ATOM 385 C PHE A 25 -3.710 -7.102 0.068 1.00 0.00 C ATOM 386 O PHE A 25 -2.600 -7.310 -0.421 1.00 0.00 O ATOM 387 CB PHE A 25 -4.005 -8.775 1.899 1.00 0.00 C ATOM 388 CG PHE A 25 -5.063 -9.178 2.885 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.726 -10.386 2.747 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.396 -8.351 3.947 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.702 -10.763 3.648 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.371 -8.723 4.851 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.025 -9.930 4.701 1.00 0.00 C ATOM 0 H PHE A 25 -3.772 -9.836 -0.537 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.582 -7.879 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.363 -9.632 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.377 -8.005 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.477 -11.041 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.887 -7.406 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.212 -11.708 3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.622 -8.071 5.674 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.789 -10.222 5.407 1.00 0.00 H new ATOM 403 N TYR A 26 -4.229 -5.887 0.200 1.00 0.00 N ATOM 404 CA TYR A 26 -3.512 -4.697 -0.232 1.00 0.00 C ATOM 405 C TYR A 26 -3.357 -3.721 0.921 1.00 0.00 C ATOM 406 O TYR A 26 -4.007 -3.854 1.958 1.00 0.00 O ATOM 407 CB TYR A 26 -4.232 -4.014 -1.392 1.00 0.00 C ATOM 408 CG TYR A 26 -4.241 -4.830 -2.663 1.00 0.00 C ATOM 409 CD1 TYR A 26 -3.304 -4.601 -3.661 1.00 0.00 C ATOM 410 CD2 TYR A 26 -5.181 -5.833 -2.862 1.00 0.00 C ATOM 411 CE1 TYR A 26 -3.302 -5.344 -4.825 1.00 0.00 C ATOM 412 CE2 TYR A 26 -5.187 -6.583 -4.023 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.245 -6.335 -5.002 1.00 0.00 C ATOM 414 OH TYR A 26 -4.248 -7.079 -6.158 1.00 0.00 O ATOM 0 H TYR A 26 -5.147 -5.701 0.604 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.524 -5.009 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.260 -3.804 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.755 -3.054 -1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.563 -3.827 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.918 -6.030 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.567 -5.150 -5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.925 -7.359 -4.164 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.750 -7.908 -6.012 1.00 0.00 H new ATOM 424 N MET A 27 -2.493 -2.739 0.727 1.00 0.00 N ATOM 425 CA MET A 27 -2.239 -1.725 1.739 1.00 0.00 C ATOM 426 C MET A 27 -2.298 -0.338 1.122 1.00 0.00 C ATOM 427 O MET A 27 -2.002 -0.168 -0.064 1.00 0.00 O ATOM 428 CB MET A 27 -0.868 -1.949 2.381 1.00 0.00 C ATOM 429 CG MET A 27 -0.777 -3.231 3.189 1.00 0.00 C ATOM 430 SD MET A 27 -0.077 -2.970 4.830 1.00 0.00 S ATOM 431 CE MET A 27 1.352 -4.043 4.758 1.00 0.00 C ATOM 0 H MET A 27 -1.951 -2.621 -0.129 1.00 0.00 H new ATOM 0 HA MET A 27 -3.008 -1.804 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.109 -1.968 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.637 -1.104 3.029 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.772 -3.665 3.288 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.166 -3.954 2.648 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.278 -4.800 5.539 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.393 -4.530 3.784 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.257 -3.454 4.908 1.00 0.00 H new ATOM 441 N ILE A 28 -2.679 0.654 1.921 1.00 0.00 N ATOM 442 CA ILE A 28 -2.762 2.022 1.422 1.00 0.00 C ATOM 443 C ILE A 28 -1.378 2.663 1.358 1.00 0.00 C ATOM 444 O ILE A 28 -0.670 2.750 2.366 1.00 0.00 O ATOM 445 CB ILE A 28 -3.703 2.894 2.273 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.021 2.159 2.523 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.962 4.216 1.568 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.061 2.998 3.237 1.00 0.00 C ATOM 0 H ILE A 28 -2.932 0.539 2.903 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.178 1.965 0.416 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.229 3.094 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.428 1.827 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.822 1.264 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.629 4.828 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.018 4.742 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.425 4.027 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.968 2.410 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.674 3.309 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.290 3.880 2.639 1.00 0.00 H new ATOM 460 N GLY A 29 -0.994 3.100 0.160 1.00 0.00 N ATOM 461 CA GLY A 29 0.312 3.705 -0.034 1.00 0.00 C ATOM 462 C GLY A 29 0.570 4.870 0.897 1.00 0.00 C ATOM 463 O GLY A 29 1.708 5.096 1.310 1.00 0.00 O ATOM 0 H GLY A 29 -1.567 3.045 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.082 2.949 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.398 4.046 -1.066 1.00 0.00 H new ATOM 467 N SER A 30 -0.477 5.605 1.244 1.00 0.00 N ATOM 468 CA SER A 30 -0.334 6.738 2.148 1.00 0.00 C ATOM 469 C SER A 30 0.197 6.263 3.497 1.00 0.00 C ATOM 470 O SER A 30 1.046 6.915 4.114 1.00 0.00 O ATOM 471 CB SER A 30 -1.676 7.448 2.332 1.00 0.00 C ATOM 472 OG SER A 30 -2.167 7.940 1.097 1.00 0.00 O ATOM 0 H SER A 30 -1.429 5.439 0.916 1.00 0.00 H new ATOM 0 HA SER A 30 0.375 7.444 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.400 6.758 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.561 8.273 3.036 1.00 0.00 H new ATOM 0 HG SER A 30 -3.027 8.388 1.242 1.00 0.00 H new ATOM 478 N GLU A 31 -0.299 5.111 3.940 1.00 0.00 N ATOM 479 CA GLU A 31 0.130 4.536 5.205 1.00 0.00 C ATOM 480 C GLU A 31 1.564 4.046 5.099 1.00 0.00 C ATOM 481 O GLU A 31 2.380 4.275 5.991 1.00 0.00 O ATOM 482 CB GLU A 31 -0.793 3.388 5.612 1.00 0.00 C ATOM 483 CG GLU A 31 -2.200 3.840 5.967 1.00 0.00 C ATOM 484 CD GLU A 31 -2.500 3.713 7.448 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.857 2.876 8.116 1.00 0.00 O ATOM 486 OE2 GLU A 31 -3.379 4.452 7.941 1.00 0.00 O ATOM 0 H GLU A 31 -0.997 4.560 3.440 1.00 0.00 H new ATOM 0 HA GLU A 31 0.079 5.309 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.846 2.668 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.360 2.869 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.331 4.878 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.921 3.248 5.403 1.00 0.00 H new ATOM 493 N VAL A 32 1.865 3.384 3.991 1.00 0.00 N ATOM 494 CA VAL A 32 3.206 2.871 3.750 1.00 0.00 C ATOM 495 C VAL A 32 4.211 4.014 3.678 1.00 0.00 C ATOM 496 O VAL A 32 5.321 3.918 4.206 1.00 0.00 O ATOM 497 CB VAL A 32 3.269 2.055 2.446 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.618 1.367 2.309 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.137 1.040 2.395 1.00 0.00 C ATOM 0 H VAL A 32 1.198 3.189 3.244 1.00 0.00 H new ATOM 0 HA VAL A 32 3.458 2.216 4.584 1.00 0.00 H new ATOM 0 HB VAL A 32 3.150 2.740 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.642 0.796 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.409 2.117 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.771 0.695 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.198 0.473 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.220 0.359 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.180 1.560 2.440 1.00 0.00 H new ATOM 509 N GLY A 33 3.809 5.097 3.022 1.00 0.00 N ATOM 510 CA GLY A 33 4.680 6.249 2.890 1.00 0.00 C ATOM 511 C GLY A 33 5.031 6.865 4.228 1.00 0.00 C ATOM 512 O GLY A 33 6.205 7.080 4.529 1.00 0.00 O ATOM 0 H GLY A 33 2.895 5.197 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.596 5.952 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.194 6.998 2.265 1.00 0.00 H new ATOM 516 N ASN A 34 4.019 7.137 5.048 1.00 0.00 N ATOM 517 CA ASN A 34 4.263 7.717 6.362 1.00 0.00 C ATOM 518 C ASN A 34 5.007 6.723 7.248 1.00 0.00 C ATOM 519 O ASN A 34 5.819 7.107 8.089 1.00 0.00 O ATOM 520 CB ASN A 34 2.954 8.174 7.021 1.00 0.00 C ATOM 521 CG ASN A 34 2.079 7.030 7.504 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.556 6.085 8.132 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.785 7.119 7.223 1.00 0.00 N ATOM 0 H ASN A 34 3.037 6.968 4.829 1.00 0.00 H new ATOM 0 HA ASN A 34 4.888 8.601 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.190 8.821 7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.390 8.775 6.308 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.145 6.387 7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.431 7.920 6.700 1.00 0.00 H new ATOM 530 N TYR A 35 4.721 5.440 7.046 1.00 0.00 N ATOM 531 CA TYR A 35 5.359 4.377 7.815 1.00 0.00 C ATOM 532 C TYR A 35 6.870 4.405 7.627 1.00 0.00 C ATOM 533 O TYR A 35 7.628 4.272 8.588 1.00 0.00 O ATOM 534 CB TYR A 35 4.802 3.024 7.365 1.00 0.00 C ATOM 535 CG TYR A 35 5.099 1.896 8.318 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.097 2.108 9.686 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.380 0.621 7.849 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.366 1.084 10.564 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.650 -0.411 8.722 1.00 0.00 C ATOM 540 CZ TYR A 35 5.640 -0.176 10.080 1.00 0.00 C ATOM 541 OH TYR A 35 5.911 -1.203 10.956 1.00 0.00 O ATOM 0 H TYR A 35 4.049 5.111 6.353 1.00 0.00 H new ATOM 0 HA TYR A 35 5.145 4.530 8.873 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.722 3.109 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.215 2.779 6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.881 3.094 10.070 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.387 0.434 6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.362 1.267 11.628 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.868 -1.399 8.344 1.00 0.00 H new ATOM 0 HH TYR A 35 6.082 -2.026 10.452 1.00 0.00 H new ATOM 551 N LEU A 36 7.300 4.597 6.389 1.00 0.00 N ATOM 552 CA LEU A 36 8.724 4.665 6.079 1.00 0.00 C ATOM 553 C LEU A 36 9.205 6.116 6.051 1.00 0.00 C ATOM 554 O LEU A 36 10.396 6.382 5.890 1.00 0.00 O ATOM 555 CB LEU A 36 9.018 3.988 4.739 1.00 0.00 C ATOM 556 CG LEU A 36 8.698 2.493 4.687 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.718 2.190 3.565 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.972 1.678 4.519 1.00 0.00 C ATOM 0 H LEU A 36 6.686 4.709 5.582 1.00 0.00 H new ATOM 0 HA LEU A 36 9.264 4.136 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.447 4.494 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.073 4.127 4.502 1.00 0.00 H new ATOM 0 HG LEU A 36 8.232 2.212 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.505 1.121 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.793 2.742 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.153 2.490 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.723 0.617 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.468 1.965 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.638 1.867 5.361 1.00 0.00 H new ATOM 570 N ARG A 37 8.270 7.053 6.215 1.00 0.00 N ATOM 571 CA ARG A 37 8.590 8.478 6.216 1.00 0.00 C ATOM 572 C ARG A 37 9.027 8.953 4.836 1.00 0.00 C ATOM 573 O ARG A 37 9.839 9.871 4.714 1.00 0.00 O ATOM 574 CB ARG A 37 9.683 8.782 7.242 1.00 0.00 C ATOM 575 CG ARG A 37 9.827 10.263 7.556 1.00 0.00 C ATOM 576 CD ARG A 37 11.214 10.779 7.204 1.00 0.00 C ATOM 577 NE ARG A 37 11.357 12.204 7.490 1.00 0.00 N ATOM 578 CZ ARG A 37 12.305 12.975 6.962 1.00 0.00 C ATOM 579 NH1 ARG A 37 13.195 12.463 6.121 1.00 0.00 N ATOM 580 NH2 ARG A 37 12.364 14.262 7.276 1.00 0.00 N ATOM 0 H ARG A 37 7.280 6.847 6.349 1.00 0.00 H new ATOM 0 HA ARG A 37 7.683 9.017 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.465 8.243 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.635 8.404 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.077 10.827 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.634 10.431 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.962 10.220 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.410 10.600 6.147 1.00 0.00 H new ATOM 0 HE ARG A 37 10.691 12.634 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.155 11.474 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.919 13.059 5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.683 14.661 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.090 14.853 6.871 1.00 0.00 H new ATOM 594 N MET A 38 8.471 8.340 3.796 1.00 0.00 N ATOM 595 CA MET A 38 8.795 8.724 2.428 1.00 0.00 C ATOM 596 C MET A 38 7.681 9.593 1.854 1.00 0.00 C ATOM 597 O MET A 38 6.512 9.208 1.873 1.00 0.00 O ATOM 598 CB MET A 38 8.999 7.483 1.558 1.00 0.00 C ATOM 599 CG MET A 38 10.113 6.572 2.048 1.00 0.00 C ATOM 600 SD MET A 38 10.217 5.036 1.111 1.00 0.00 S ATOM 601 CE MET A 38 11.568 5.410 -0.004 1.00 0.00 C ATOM 0 H MET A 38 7.797 7.579 3.874 1.00 0.00 H new ATOM 0 HA MET A 38 9.723 9.296 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.068 6.917 1.523 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.220 7.797 0.538 1.00 0.00 H new ATOM 0 HG2 MET A 38 11.065 7.099 1.980 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.951 6.341 3.101 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.243 4.556 -0.057 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.172 5.622 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.112 6.280 0.363 1.00 0.00 H new ATOM 611 N PHE A 39 8.048 10.766 1.354 1.00 0.00 N ATOM 612 CA PHE A 39 7.071 11.690 0.787 1.00 0.00 C ATOM 613 C PHE A 39 7.465 12.111 -0.625 1.00 0.00 C ATOM 614 O PHE A 39 8.538 11.755 -1.113 1.00 0.00 O ATOM 615 CB PHE A 39 6.926 12.920 1.689 1.00 0.00 C ATOM 616 CG PHE A 39 7.005 12.598 3.156 1.00 0.00 C ATOM 617 CD1 PHE A 39 7.800 13.352 4.004 1.00 0.00 C ATOM 618 CD2 PHE A 39 6.291 11.533 3.684 1.00 0.00 C ATOM 619 CE1 PHE A 39 7.880 13.051 5.351 1.00 0.00 C ATOM 620 CE2 PHE A 39 6.367 11.228 5.030 1.00 0.00 C ATOM 621 CZ PHE A 39 7.163 11.988 5.864 1.00 0.00 C ATOM 0 H PHE A 39 9.011 11.100 1.329 1.00 0.00 H new ATOM 0 HA PHE A 39 6.111 11.177 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.707 13.638 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.971 13.403 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.363 14.184 3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.668 10.935 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.503 13.647 6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.805 10.397 5.429 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.225 11.751 6.916 1.00 0.00 H new ATOM 631 N ARG A 40 6.589 12.871 -1.277 1.00 0.00 N ATOM 632 CA ARG A 40 6.844 13.343 -2.634 1.00 0.00 C ATOM 633 C ARG A 40 7.134 12.173 -3.570 1.00 0.00 C ATOM 634 O ARG A 40 8.060 12.226 -4.379 1.00 0.00 O ATOM 635 CB ARG A 40 8.018 14.323 -2.643 1.00 0.00 C ATOM 636 CG ARG A 40 7.838 15.498 -1.696 1.00 0.00 C ATOM 637 CD ARG A 40 9.176 16.096 -1.291 1.00 0.00 C ATOM 638 NE ARG A 40 9.519 17.265 -2.097 1.00 0.00 N ATOM 639 CZ ARG A 40 8.989 18.473 -1.915 1.00 0.00 C ATOM 640 NH1 ARG A 40 8.093 18.674 -0.957 1.00 0.00 N ATOM 641 NH2 ARG A 40 9.356 19.481 -2.693 1.00 0.00 N ATOM 0 H ARG A 40 5.696 13.173 -0.887 1.00 0.00 H new ATOM 0 HA ARG A 40 5.950 13.856 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.929 13.788 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.157 14.701 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.226 16.263 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.300 15.171 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.143 16.378 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.956 15.342 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 40 10.205 17.149 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.807 17.901 -0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.690 19.601 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.044 19.331 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.950 20.406 -2.554 1.00 0.00 H new ATOM 655 N GLY A 41 6.337 11.117 -3.452 1.00 0.00 N ATOM 656 CA GLY A 41 6.527 9.949 -4.290 1.00 0.00 C ATOM 657 C GLY A 41 7.878 9.294 -4.073 1.00 0.00 C ATOM 658 O GLY A 41 8.344 8.525 -4.915 1.00 0.00 O ATOM 0 H GLY A 41 5.563 11.049 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.738 9.225 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.430 10.237 -5.337 1.00 0.00 H new ATOM 662 N SER A 42 8.510 9.597 -2.942 1.00 0.00 N ATOM 663 CA SER A 42 9.814 9.032 -2.619 1.00 0.00 C ATOM 664 C SER A 42 9.742 7.511 -2.544 1.00 0.00 C ATOM 665 O SER A 42 10.693 6.815 -2.901 1.00 0.00 O ATOM 666 CB SER A 42 10.323 9.596 -1.292 1.00 0.00 C ATOM 667 OG SER A 42 11.503 8.932 -0.874 1.00 0.00 O ATOM 0 H SER A 42 8.139 10.231 -2.235 1.00 0.00 H new ATOM 0 HA SER A 42 10.509 9.307 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.521 10.663 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.552 9.489 -0.529 1.00 0.00 H new ATOM 0 HG SER A 42 11.809 9.312 -0.024 1.00 0.00 H new ATOM 673 N LEU A 43 8.606 7.001 -2.080 1.00 0.00 N ATOM 674 CA LEU A 43 8.408 5.562 -1.960 1.00 0.00 C ATOM 675 C LEU A 43 8.414 4.898 -3.333 1.00 0.00 C ATOM 676 O LEU A 43 9.147 3.938 -3.565 1.00 0.00 O ATOM 677 CB LEU A 43 7.089 5.264 -1.242 1.00 0.00 C ATOM 678 CG LEU A 43 7.019 3.896 -0.558 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.151 4.044 0.951 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.719 3.187 -0.913 1.00 0.00 C ATOM 0 H LEU A 43 7.809 7.563 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 43 9.232 5.154 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.918 6.037 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.276 5.334 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 43 7.851 3.290 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.099 3.061 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.108 4.509 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.341 4.669 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.687 2.216 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.874 3.791 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.665 3.046 -1.992 1.00 0.00 H new ATOM 692 N TYR A 44 7.593 5.419 -4.239 1.00 0.00 N ATOM 693 CA TYR A 44 7.505 4.876 -5.591 1.00 0.00 C ATOM 694 C TYR A 44 8.818 5.076 -6.342 1.00 0.00 C ATOM 695 O TYR A 44 9.255 4.199 -7.089 1.00 0.00 O ATOM 696 CB TYR A 44 6.359 5.540 -6.355 1.00 0.00 C ATOM 697 CG TYR A 44 5.054 5.562 -5.592 1.00 0.00 C ATOM 698 CD1 TYR A 44 4.243 6.691 -5.597 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.633 4.456 -4.864 1.00 0.00 C ATOM 700 CE1 TYR A 44 3.050 6.716 -4.900 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.441 4.473 -4.165 1.00 0.00 C ATOM 702 CZ TYR A 44 2.653 5.605 -4.186 1.00 0.00 C ATOM 703 OH TYR A 44 1.466 5.625 -3.491 1.00 0.00 O ATOM 0 H TYR A 44 6.980 6.215 -4.063 1.00 0.00 H new ATOM 0 HA TYR A 44 7.309 3.806 -5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.643 6.563 -6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.210 5.014 -7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.550 7.563 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.248 3.568 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.432 7.601 -4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.128 3.604 -3.605 1.00 0.00 H new ATOM 0 HH TYR A 44 1.335 4.763 -3.043 1.00 0.00 H new ATOM 713 N LYS A 45 9.442 6.230 -6.138 1.00 0.00 N ATOM 714 CA LYS A 45 10.707 6.540 -6.794 1.00 0.00 C ATOM 715 C LYS A 45 11.798 5.573 -6.347 1.00 0.00 C ATOM 716 O LYS A 45 12.596 5.102 -7.157 1.00 0.00 O ATOM 717 CB LYS A 45 11.124 7.982 -6.489 1.00 0.00 C ATOM 718 CG LYS A 45 11.527 8.773 -7.724 1.00 0.00 C ATOM 719 CD LYS A 45 13.024 9.047 -7.756 1.00 0.00 C ATOM 720 CE LYS A 45 13.681 8.427 -8.979 1.00 0.00 C ATOM 721 NZ LYS A 45 13.136 8.989 -10.247 1.00 0.00 N ATOM 0 H LYS A 45 9.093 6.966 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 45 10.570 6.432 -7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.298 8.493 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.958 7.970 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.239 8.221 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.984 9.718 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.197 10.123 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.487 8.649 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.757 8.598 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.529 7.348 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.844 8.890 -11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.272 8.474 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.911 9.995 -10.112 1.00 0.00 H new ATOM 735 N ARG A 46 11.823 5.278 -5.051 1.00 0.00 N ATOM 736 CA ARG A 46 12.811 4.363 -4.493 1.00 0.00 C ATOM 737 C ARG A 46 12.381 2.909 -4.678 1.00 0.00 C ATOM 738 O ARG A 46 13.189 1.992 -4.534 1.00 0.00 O ATOM 739 CB ARG A 46 13.023 4.657 -3.006 1.00 0.00 C ATOM 740 CG ARG A 46 14.322 4.093 -2.453 1.00 0.00 C ATOM 741 CD ARG A 46 15.421 5.144 -2.432 1.00 0.00 C ATOM 742 NE ARG A 46 16.745 4.554 -2.612 1.00 0.00 N ATOM 743 CZ ARG A 46 17.425 3.948 -1.641 1.00 0.00 C ATOM 744 NH1 ARG A 46 16.909 3.845 -0.423 1.00 0.00 N ATOM 745 NH2 ARG A 46 18.624 3.439 -1.891 1.00 0.00 N ATOM 0 H ARG A 46 11.169 5.660 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 46 13.749 4.514 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.011 5.736 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.188 4.245 -2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.156 3.718 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.639 3.245 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.239 5.875 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.390 5.683 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 46 17.174 4.610 -3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.986 4.231 -0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.435 3.379 0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.024 3.512 -2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.146 2.975 -1.148 1.00 0.00 H new ATOM 759 N TYR A 47 11.105 2.704 -4.998 1.00 0.00 N ATOM 760 CA TYR A 47 10.574 1.361 -5.201 1.00 0.00 C ATOM 761 C TYR A 47 9.726 1.295 -6.473 1.00 0.00 C ATOM 762 O TYR A 47 8.511 1.100 -6.410 1.00 0.00 O ATOM 763 CB TYR A 47 9.733 0.939 -3.995 1.00 0.00 C ATOM 764 CG TYR A 47 10.543 0.623 -2.760 1.00 0.00 C ATOM 765 CD1 TYR A 47 11.208 -0.588 -2.641 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.634 1.528 -1.710 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.942 -0.893 -1.513 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.368 1.233 -0.578 1.00 0.00 C ATOM 769 CZ TYR A 47 12.020 0.021 -0.483 1.00 0.00 C ATOM 770 OH TYR A 47 12.749 -0.276 0.645 1.00 0.00 O ATOM 0 H TYR A 47 10.422 3.451 -5.122 1.00 0.00 H new ATOM 0 HA TYR A 47 11.415 0.677 -5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.028 1.736 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.144 0.062 -4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.150 -1.306 -3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.123 2.477 -1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.452 -1.842 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.431 1.948 0.229 1.00 0.00 H new ATOM 0 HH TYR A 47 12.887 -1.245 0.700 1.00 0.00 H new ATOM 780 N PRO A 48 10.355 1.460 -7.649 1.00 0.00 N ATOM 781 CA PRO A 48 9.649 1.424 -8.935 1.00 0.00 C ATOM 782 C PRO A 48 9.002 0.070 -9.212 1.00 0.00 C ATOM 783 O PRO A 48 7.975 -0.009 -9.885 1.00 0.00 O ATOM 784 CB PRO A 48 10.748 1.709 -9.968 1.00 0.00 C ATOM 785 CG PRO A 48 11.873 2.305 -9.193 1.00 0.00 C ATOM 786 CD PRO A 48 11.795 1.701 -7.821 1.00 0.00 C ATOM 0 HA PRO A 48 8.829 2.142 -8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.060 0.795 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.395 2.394 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.831 2.084 -9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.784 3.390 -9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.370 0.778 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.185 2.376 -7.060 1.00 0.00 H new ATOM 794 N SER A 49 9.608 -0.995 -8.693 1.00 0.00 N ATOM 795 CA SER A 49 9.081 -2.343 -8.893 1.00 0.00 C ATOM 796 C SER A 49 7.927 -2.643 -7.934 1.00 0.00 C ATOM 797 O SER A 49 7.406 -3.759 -7.911 1.00 0.00 O ATOM 798 CB SER A 49 10.193 -3.380 -8.707 1.00 0.00 C ATOM 799 OG SER A 49 10.600 -3.919 -9.952 1.00 0.00 O ATOM 0 H SER A 49 10.460 -0.952 -8.134 1.00 0.00 H new ATOM 0 HA SER A 49 8.698 -2.400 -9.912 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.046 -2.918 -8.211 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.842 -4.182 -8.057 1.00 0.00 H new ATOM 0 HG SER A 49 11.058 -4.773 -9.805 1.00 0.00 H new ATOM 805 N LEU A 50 7.531 -1.648 -7.144 1.00 0.00 N ATOM 806 CA LEU A 50 6.444 -1.816 -6.188 1.00 0.00 C ATOM 807 C LEU A 50 5.084 -1.706 -6.871 1.00 0.00 C ATOM 808 O LEU A 50 4.838 -0.779 -7.641 1.00 0.00 O ATOM 809 CB LEU A 50 6.557 -0.767 -5.084 1.00 0.00 C ATOM 810 CG LEU A 50 5.953 -1.164 -3.738 1.00 0.00 C ATOM 811 CD1 LEU A 50 6.794 -2.245 -3.077 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.839 0.052 -2.832 1.00 0.00 C ATOM 0 H LEU A 50 7.948 -0.717 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 50 6.525 -2.813 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.611 -0.533 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.072 0.148 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 50 4.953 -1.563 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.350 -2.517 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.830 -3.123 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.805 -1.871 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.407 -0.245 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.829 0.476 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.199 0.798 -3.303 1.00 0.00 H new ATOM 824 N TRP A 51 4.203 -2.656 -6.575 1.00 0.00 N ATOM 825 CA TRP A 51 2.864 -2.666 -7.153 1.00 0.00 C ATOM 826 C TRP A 51 2.014 -1.542 -6.564 1.00 0.00 C ATOM 827 O TRP A 51 1.734 -1.528 -5.366 1.00 0.00 O ATOM 828 CB TRP A 51 2.186 -4.015 -6.898 1.00 0.00 C ATOM 829 CG TRP A 51 0.848 -4.148 -7.559 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.576 -4.759 -8.749 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.402 -3.663 -7.061 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.769 -4.680 -9.021 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.390 -4.012 -7.998 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.778 -2.968 -5.912 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.731 -3.687 -7.817 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.106 -2.645 -5.730 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.070 -3.005 -6.680 1.00 0.00 C ATOM 0 H TRP A 51 4.392 -3.430 -5.938 1.00 0.00 H new ATOM 0 HA TRP A 51 2.956 -2.509 -8.228 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.838 -4.813 -7.253 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.067 -4.155 -5.824 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.310 -5.234 -9.383 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.230 -5.057 -9.849 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.040 -2.687 -5.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.477 -3.963 -8.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.407 -2.107 -4.843 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.103 -2.739 -6.512 1.00 0.00 H new ATOM 848 N ARG A 52 1.608 -0.599 -7.409 1.00 0.00 N ATOM 849 CA ARG A 52 0.789 0.523 -6.961 1.00 0.00 C ATOM 850 C ARG A 52 -0.301 0.850 -7.977 1.00 0.00 C ATOM 851 O ARG A 52 -0.060 0.847 -9.184 1.00 0.00 O ATOM 852 CB ARG A 52 1.665 1.755 -6.722 1.00 0.00 C ATOM 853 CG ARG A 52 2.334 2.280 -7.982 1.00 0.00 C ATOM 854 CD ARG A 52 2.840 3.701 -7.792 1.00 0.00 C ATOM 855 NE ARG A 52 3.471 4.223 -9.003 1.00 0.00 N ATOM 856 CZ ARG A 52 2.794 4.691 -10.049 1.00 0.00 C ATOM 857 NH1 ARG A 52 1.467 4.705 -10.037 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.447 5.146 -11.110 1.00 0.00 N ATOM 0 H ARG A 52 1.832 -0.589 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 52 0.309 0.236 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.054 2.547 -6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.433 1.508 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.166 1.629 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.626 2.252 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.009 4.347 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.556 3.724 -6.971 1.00 0.00 H new ATOM 0 HE ARG A 52 4.490 4.229 -9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.961 4.356 -9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.953 5.065 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.467 5.137 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.929 5.505 -11.912 1.00 0.00 H new ATOM 872 N ARG A 53 -1.504 1.141 -7.483 1.00 0.00 N ATOM 873 CA ARG A 53 -2.624 1.480 -8.356 1.00 0.00 C ATOM 874 C ARG A 53 -3.647 2.350 -7.628 1.00 0.00 C ATOM 875 O ARG A 53 -3.811 2.245 -6.413 1.00 0.00 O ATOM 876 CB ARG A 53 -3.289 0.202 -8.898 1.00 0.00 C ATOM 877 CG ARG A 53 -4.431 -0.336 -8.040 1.00 0.00 C ATOM 878 CD ARG A 53 -5.288 -1.336 -8.805 1.00 0.00 C ATOM 879 NE ARG A 53 -4.495 -2.204 -9.674 1.00 0.00 N ATOM 880 CZ ARG A 53 -5.023 -3.057 -10.549 1.00 0.00 C ATOM 881 NH1 ARG A 53 -6.340 -3.160 -10.675 1.00 0.00 N ATOM 882 NH2 ARG A 53 -4.231 -3.810 -11.300 1.00 0.00 N ATOM 0 H ARG A 53 -1.726 1.149 -6.488 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.235 2.054 -9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.669 0.403 -9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.529 -0.573 -8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.023 -0.813 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.053 0.492 -7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.846 -1.948 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.020 -0.797 -9.406 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.479 -2.153 -9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.954 -2.584 -10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.738 -3.816 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.218 -3.735 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.635 -4.464 -11.971 1.00 0.00 H new ATOM 896 N LEU A 54 -4.340 3.201 -8.378 1.00 0.00 N ATOM 897 CA LEU A 54 -5.352 4.075 -7.799 1.00 0.00 C ATOM 898 C LEU A 54 -6.655 3.311 -7.584 1.00 0.00 C ATOM 899 O LEU A 54 -7.071 2.524 -8.435 1.00 0.00 O ATOM 900 CB LEU A 54 -5.597 5.286 -8.703 1.00 0.00 C ATOM 901 CG LEU A 54 -4.810 6.538 -8.324 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.072 7.100 -9.529 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.732 7.589 -7.723 1.00 0.00 C ATOM 0 H LEU A 54 -4.219 3.303 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.988 4.428 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.346 5.013 -9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.661 5.524 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.071 6.259 -7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.519 7.992 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.377 6.352 -9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.790 7.360 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.152 8.474 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.497 7.860 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.208 7.187 -6.828 1.00 0.00 H new ATOM 915 N ALA A 55 -7.292 3.541 -6.441 1.00 0.00 N ATOM 916 CA ALA A 55 -8.542 2.868 -6.115 1.00 0.00 C ATOM 917 C ALA A 55 -9.746 3.633 -6.657 1.00 0.00 C ATOM 918 O ALA A 55 -9.820 4.856 -6.544 1.00 0.00 O ATOM 919 CB ALA A 55 -8.665 2.689 -4.610 1.00 0.00 C ATOM 0 H ALA A 55 -6.962 4.189 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.528 1.888 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.603 2.185 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.831 2.089 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.649 3.665 -4.125 1.00 0.00 H new ATOM 925 N THR A 56 -10.689 2.899 -7.241 1.00 0.00 N ATOM 926 CA THR A 56 -11.896 3.501 -7.795 1.00 0.00 C ATOM 927 C THR A 56 -12.817 3.970 -6.677 1.00 0.00 C ATOM 928 O THR A 56 -12.639 3.594 -5.521 1.00 0.00 O ATOM 929 CB THR A 56 -12.635 2.493 -8.676 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.336 1.555 -7.878 1.00 0.00 O ATOM 931 CG2 THR A 56 -11.721 1.720 -9.602 1.00 0.00 C ATOM 0 H THR A 56 -10.640 1.885 -7.342 1.00 0.00 H new ATOM 0 HA THR A 56 -11.603 4.359 -8.400 1.00 0.00 H new ATOM 0 HB THR A 56 -13.318 3.085 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.805 0.918 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.311 1.023 -10.197 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.202 2.414 -10.264 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.991 1.165 -9.013 1.00 0.00 H new ATOM 939 N VAL A 57 -13.811 4.783 -7.026 1.00 0.00 N ATOM 940 CA VAL A 57 -14.759 5.286 -6.037 1.00 0.00 C ATOM 941 C VAL A 57 -15.375 4.134 -5.254 1.00 0.00 C ATOM 942 O VAL A 57 -15.530 4.207 -4.033 1.00 0.00 O ATOM 943 CB VAL A 57 -15.884 6.105 -6.699 1.00 0.00 C ATOM 944 CG1 VAL A 57 -16.743 6.783 -5.644 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.303 7.127 -7.665 1.00 0.00 C ATOM 0 H VAL A 57 -13.980 5.105 -7.979 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.205 5.936 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.519 5.424 -7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.532 7.357 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.190 6.027 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.124 7.452 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.112 7.696 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -14.644 7.805 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.736 6.613 -8.441 1.00 0.00 H new ATOM 955 N GLU A 58 -15.702 3.061 -5.965 1.00 0.00 N ATOM 956 CA GLU A 58 -16.279 1.882 -5.337 1.00 0.00 C ATOM 957 C GLU A 58 -15.254 1.233 -4.416 1.00 0.00 C ATOM 958 O GLU A 58 -15.568 0.848 -3.289 1.00 0.00 O ATOM 959 CB GLU A 58 -16.741 0.881 -6.400 1.00 0.00 C ATOM 960 CG GLU A 58 -18.229 0.959 -6.702 1.00 0.00 C ATOM 961 CD GLU A 58 -18.996 -0.234 -6.165 1.00 0.00 C ATOM 962 OE1 GLU A 58 -18.599 -0.767 -5.107 1.00 0.00 O ATOM 963 OE2 GLU A 58 -19.993 -0.635 -6.801 1.00 0.00 O ATOM 0 H GLU A 58 -15.577 2.985 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.145 2.186 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.182 1.056 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.499 -0.128 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.636 1.873 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.374 1.024 -7.780 1.00 0.00 H new ATOM 970 N GLU A 59 -14.020 1.129 -4.903 1.00 0.00 N ATOM 971 CA GLU A 59 -12.943 0.540 -4.119 1.00 0.00 C ATOM 972 C GLU A 59 -12.729 1.328 -2.832 1.00 0.00 C ATOM 973 O GLU A 59 -12.585 0.748 -1.758 1.00 0.00 O ATOM 974 CB GLU A 59 -11.648 0.501 -4.933 1.00 0.00 C ATOM 975 CG GLU A 59 -11.472 -0.782 -5.730 1.00 0.00 C ATOM 976 CD GLU A 59 -10.964 -0.531 -7.137 1.00 0.00 C ATOM 977 OE1 GLU A 59 -9.984 0.228 -7.287 1.00 0.00 O ATOM 978 OE2 GLU A 59 -11.546 -1.094 -8.086 1.00 0.00 O ATOM 0 H GLU A 59 -13.744 1.444 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.225 -0.481 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.632 1.350 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.800 0.620 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.775 -1.437 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.426 -1.307 -5.781 1.00 0.00 H new ATOM 985 N ARG A 60 -12.720 2.655 -2.944 1.00 0.00 N ATOM 986 CA ARG A 60 -12.535 3.514 -1.780 1.00 0.00 C ATOM 987 C ARG A 60 -13.655 3.289 -0.775 1.00 0.00 C ATOM 988 O ARG A 60 -13.419 3.245 0.433 1.00 0.00 O ATOM 989 CB ARG A 60 -12.498 4.987 -2.195 1.00 0.00 C ATOM 990 CG ARG A 60 -11.490 5.291 -3.289 1.00 0.00 C ATOM 991 CD ARG A 60 -11.023 6.736 -3.230 1.00 0.00 C ATOM 992 NE ARG A 60 -11.924 7.630 -3.954 1.00 0.00 N ATOM 993 CZ ARG A 60 -11.936 7.757 -5.278 1.00 0.00 C ATOM 994 NH1 ARG A 60 -11.095 7.054 -6.027 1.00 0.00 N ATOM 995 NH2 ARG A 60 -12.792 8.589 -5.857 1.00 0.00 N ATOM 0 H ARG A 60 -12.838 3.155 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.583 3.258 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.490 5.284 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.266 5.595 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.632 4.626 -3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.937 5.091 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.955 7.053 -2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.021 6.811 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.583 8.190 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.435 6.412 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.109 7.156 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.441 9.131 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.801 8.686 -6.872 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.876 3.131 -1.279 1.00 0.00 N ATOM 1010 CA LYS A 61 -16.025 2.893 -0.415 1.00 0.00 C ATOM 1011 C LYS A 61 -15.786 1.646 0.424 1.00 0.00 C ATOM 1012 O LYS A 61 -15.958 1.660 1.643 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.299 2.735 -1.247 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.956 4.057 -1.609 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.606 3.998 -2.981 1.00 0.00 C ATOM 1016 CE LYS A 61 -19.400 5.261 -3.275 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.650 5.331 -2.468 1.00 0.00 N ATOM 0 H LYS A 61 -15.093 3.163 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.152 3.750 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.060 2.194 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.012 2.124 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.707 4.309 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.210 4.852 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.838 3.864 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.265 3.131 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.783 6.135 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.650 5.294 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.244 6.111 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.170 4.435 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.410 5.496 -1.470 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.365 0.573 -0.237 1.00 0.00 N ATOM 1032 CA LYS A 62 -15.071 -0.678 0.449 1.00 0.00 C ATOM 1033 C LYS A 62 -13.840 -0.514 1.335 1.00 0.00 C ATOM 1034 O LYS A 62 -13.752 -1.102 2.412 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.844 -1.803 -0.563 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.947 -1.920 -1.603 1.00 0.00 C ATOM 1037 CD LYS A 62 -15.445 -2.574 -2.880 1.00 0.00 C ATOM 1038 CE LYS A 62 -15.941 -4.006 -3.006 1.00 0.00 C ATOM 1039 NZ LYS A 62 -15.711 -4.556 -4.371 1.00 0.00 N ATOM 0 H LYS A 62 -15.220 0.545 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.925 -0.940 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.894 -1.637 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.759 -2.749 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.772 -2.503 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.339 -0.929 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.778 -1.995 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.355 -2.563 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.433 -4.632 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.005 -4.043 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.063 -5.534 -4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.216 -3.974 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.693 -4.545 -4.583 1.00 0.00 H new ATOM 1053 N ILE A 63 -12.892 0.295 0.865 1.00 0.00 N ATOM 1054 CA ILE A 63 -11.660 0.549 1.604 1.00 0.00 C ATOM 1055 C ILE A 63 -11.957 1.188 2.958 1.00 0.00 C ATOM 1056 O ILE A 63 -11.481 0.723 3.991 1.00 0.00 O ATOM 1057 CB ILE A 63 -10.701 1.460 0.801 1.00 0.00 C ATOM 1058 CG1 ILE A 63 -10.086 0.683 -0.363 1.00 0.00 C ATOM 1059 CG2 ILE A 63 -9.603 2.022 1.697 1.00 0.00 C ATOM 1060 CD1 ILE A 63 -9.648 1.563 -1.515 1.00 0.00 C ATOM 0 H ILE A 63 -12.955 0.786 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.175 -0.414 1.764 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.278 2.296 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.226 0.120 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.812 -0.044 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.943 2.659 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.052 2.608 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.028 1.201 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.221 0.944 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.508 2.106 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.898 2.273 -1.166 1.00 0.00 H new ATOM 1072 N VAL A 64 -12.742 2.257 2.943 1.00 0.00 N ATOM 1073 CA VAL A 64 -13.094 2.959 4.171 1.00 0.00 C ATOM 1074 C VAL A 64 -13.859 2.055 5.133 1.00 0.00 C ATOM 1075 O VAL A 64 -13.618 2.073 6.338 1.00 0.00 O ATOM 1076 CB VAL A 64 -13.943 4.211 3.875 1.00 0.00 C ATOM 1077 CG1 VAL A 64 -14.152 5.027 5.142 1.00 0.00 C ATOM 1078 CG2 VAL A 64 -13.293 5.053 2.787 1.00 0.00 C ATOM 0 H VAL A 64 -13.147 2.657 2.096 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.157 3.262 4.638 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.920 3.889 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.753 5.907 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.667 4.419 5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.185 5.341 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.907 5.932 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.302 5.368 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.204 4.463 1.875 1.00 0.00 H new ATOM 1088 N ALA A 65 -14.787 1.273 4.594 1.00 0.00 N ATOM 1089 CA ALA A 65 -15.594 0.373 5.409 1.00 0.00 C ATOM 1090 C ALA A 65 -14.787 -0.822 5.914 1.00 0.00 C ATOM 1091 O ALA A 65 -14.887 -1.198 7.082 1.00 0.00 O ATOM 1092 CB ALA A 65 -16.801 -0.106 4.618 1.00 0.00 C ATOM 0 H ALA A 65 -14.999 1.244 3.597 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.930 0.933 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.397 -0.778 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -17.407 0.751 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.465 -0.635 3.726 1.00 0.00 H new ATOM 1098 N SER A 66 -14.003 -1.428 5.027 1.00 0.00 N ATOM 1099 CA SER A 66 -13.201 -2.595 5.386 1.00 0.00 C ATOM 1100 C SER A 66 -11.925 -2.212 6.135 1.00 0.00 C ATOM 1101 O SER A 66 -11.631 -2.765 7.195 1.00 0.00 O ATOM 1102 CB SER A 66 -12.842 -3.391 4.130 1.00 0.00 C ATOM 1103 OG SER A 66 -13.970 -4.085 3.627 1.00 0.00 O ATOM 0 H SER A 66 -13.905 -1.132 4.056 1.00 0.00 H new ATOM 0 HA SER A 66 -13.805 -3.209 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.456 -2.716 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.047 -4.101 4.360 1.00 0.00 H new ATOM 0 HG SER A 66 -13.715 -4.585 2.823 1.00 0.00 H new ATOM 1109 N SER A 67 -11.162 -1.281 5.573 1.00 0.00 N ATOM 1110 CA SER A 67 -9.909 -0.849 6.187 1.00 0.00 C ATOM 1111 C SER A 67 -10.138 -0.223 7.559 1.00 0.00 C ATOM 1112 O SER A 67 -9.553 -0.656 8.552 1.00 0.00 O ATOM 1113 CB SER A 67 -9.184 0.146 5.280 1.00 0.00 C ATOM 1114 OG SER A 67 -9.126 -0.328 3.945 1.00 0.00 O ATOM 0 H SER A 67 -11.387 -0.811 4.696 1.00 0.00 H new ATOM 0 HA SER A 67 -9.290 -1.736 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.697 1.107 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.174 0.314 5.654 1.00 0.00 H new ATOM 0 HG SER A 67 -8.228 -0.176 3.583 1.00 0.00 H new ATOM 1120 N HIS A 68 -10.978 0.805 7.610 1.00 0.00 N ATOM 1121 CA HIS A 68 -11.260 1.493 8.867 1.00 0.00 C ATOM 1122 C HIS A 68 -12.366 2.535 8.684 1.00 0.00 C ATOM 1123 O HIS A 68 -13.549 2.221 8.819 1.00 0.00 O ATOM 1124 CB HIS A 68 -9.981 2.152 9.401 1.00 0.00 C ATOM 1125 CG HIS A 68 -9.022 2.565 8.323 1.00 0.00 C ATOM 1126 ND1 HIS A 68 -9.425 2.906 7.048 1.00 0.00 N ATOM 1127 CD2 HIS A 68 -7.675 2.691 8.333 1.00 0.00 C ATOM 1128 CE1 HIS A 68 -8.368 3.222 6.323 1.00 0.00 C ATOM 1129 NE2 HIS A 68 -7.293 3.102 7.079 1.00 0.00 N ATOM 0 H HIS A 68 -11.474 1.180 6.801 1.00 0.00 H new ATOM 0 HA HIS A 68 -11.609 0.759 9.593 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -10.252 3.029 9.989 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.479 1.458 10.076 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.390 2.913 6.717 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.021 2.503 9.172 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.381 3.527 5.287 1.00 0.00 H new ATOM 1138 N GLY A 69 -11.980 3.770 8.368 1.00 0.00 N ATOM 1139 CA GLY A 69 -12.955 4.824 8.163 1.00 0.00 C ATOM 1140 C GLY A 69 -13.560 5.331 9.458 1.00 0.00 C ATOM 1141 O GLY A 69 -14.517 4.751 9.973 1.00 0.00 O ATOM 0 H GLY A 69 -11.008 4.057 8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.480 5.654 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.751 4.454 7.517 1.00 0.00 H new ATOM 1145 N LYS A 70 -13.004 6.426 9.979 1.00 0.00 N ATOM 1146 CA LYS A 70 -13.486 7.040 11.219 1.00 0.00 C ATOM 1147 C LYS A 70 -12.961 6.320 12.463 1.00 0.00 C ATOM 1148 O LYS A 70 -12.897 6.912 13.540 1.00 0.00 O ATOM 1149 CB LYS A 70 -15.019 7.080 11.246 1.00 0.00 C ATOM 1150 CG LYS A 70 -15.585 8.457 11.556 1.00 0.00 C ATOM 1151 CD LYS A 70 -15.489 9.382 10.353 1.00 0.00 C ATOM 1152 CE LYS A 70 -14.445 10.467 10.563 1.00 0.00 C ATOM 1153 NZ LYS A 70 -13.965 11.035 9.274 1.00 0.00 N ATOM 0 H LYS A 70 -12.212 6.910 9.557 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.100 8.059 11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.400 6.748 10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.380 6.371 11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.627 8.363 11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.044 8.893 12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.237 8.801 9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.460 9.841 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.868 11.264 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.600 10.055 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.939 11.195 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.173 10.369 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.448 11.938 9.091 1.00 0.00 H new ATOM 1167 N LYS A 71 -12.592 5.050 12.318 1.00 0.00 N ATOM 1168 CA LYS A 71 -12.082 4.269 13.441 1.00 0.00 C ATOM 1169 C LYS A 71 -13.141 4.125 14.530 1.00 0.00 C ATOM 1170 O LYS A 71 -13.813 3.097 14.625 1.00 0.00 O ATOM 1171 CB LYS A 71 -10.820 4.917 14.015 1.00 0.00 C ATOM 1172 CG LYS A 71 -9.592 4.744 13.136 1.00 0.00 C ATOM 1173 CD LYS A 71 -8.780 3.527 13.546 1.00 0.00 C ATOM 1174 CE LYS A 71 -7.642 3.262 12.572 1.00 0.00 C ATOM 1175 NZ LYS A 71 -6.605 2.370 13.158 1.00 0.00 N ATOM 0 H LYS A 71 -12.637 4.541 11.435 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.830 3.274 13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.003 5.981 14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.617 4.489 14.997 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.900 4.643 12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.969 5.636 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.376 3.678 14.547 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.430 2.654 13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.040 2.808 11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.185 4.208 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.848 2.214 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.207 2.814 14.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.035 1.458 13.411 1.00 0.00 H new ATOM 1189 N THR A 72 -13.286 5.161 15.347 1.00 0.00 N ATOM 1190 CA THR A 72 -14.265 5.153 16.429 1.00 0.00 C ATOM 1191 C THR A 72 -15.399 6.132 16.140 1.00 0.00 C ATOM 1192 O THR A 72 -15.219 7.109 15.414 1.00 0.00 O ATOM 1193 CB THR A 72 -13.595 5.511 17.756 1.00 0.00 C ATOM 1194 OG1 THR A 72 -12.824 6.693 17.627 1.00 0.00 O ATOM 1195 CG2 THR A 72 -12.680 4.422 18.277 1.00 0.00 C ATOM 0 H THR A 72 -12.738 6.019 15.281 1.00 0.00 H new ATOM 0 HA THR A 72 -14.682 4.148 16.501 1.00 0.00 H new ATOM 0 HB THR A 72 -14.412 5.648 18.464 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.405 6.906 18.487 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.237 4.740 19.221 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.254 3.509 18.435 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.890 4.233 17.551 1.00 0.00 H new ATOM 1203 N LYS A 73 -16.569 5.863 16.713 1.00 0.00 N ATOM 1204 CA LYS A 73 -17.732 6.720 16.516 1.00 0.00 C ATOM 1205 C LYS A 73 -17.642 7.974 17.387 1.00 0.00 C ATOM 1206 O LYS A 73 -17.699 7.889 18.613 1.00 0.00 O ATOM 1207 CB LYS A 73 -19.016 5.954 16.841 1.00 0.00 C ATOM 1208 CG LYS A 73 -20.284 6.698 16.453 1.00 0.00 C ATOM 1209 CD LYS A 73 -21.320 5.761 15.853 1.00 0.00 C ATOM 1210 CE LYS A 73 -22.728 6.146 16.274 1.00 0.00 C ATOM 1211 NZ LYS A 73 -23.655 4.980 16.246 1.00 0.00 N ATOM 0 H LYS A 73 -16.736 5.058 17.317 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.752 7.026 15.470 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.996 4.994 16.326 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.042 5.742 17.910 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.702 7.189 17.332 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -20.042 7.482 15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.245 5.782 14.766 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -21.112 4.738 16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -22.704 6.567 17.279 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -23.105 6.925 15.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -24.605 5.285 16.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -23.698 4.594 15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -23.310 4.246 16.897 1.00 0.00 H new ATOM 1225 N PRO A 74 -17.500 9.161 16.766 1.00 0.00 N ATOM 1226 CA PRO A 74 -17.404 10.427 17.500 1.00 0.00 C ATOM 1227 C PRO A 74 -18.608 10.664 18.404 1.00 0.00 C ATOM 1228 O PRO A 74 -19.359 9.738 18.710 1.00 0.00 O ATOM 1229 CB PRO A 74 -17.354 11.486 16.392 1.00 0.00 C ATOM 1230 CG PRO A 74 -16.880 10.756 15.184 1.00 0.00 C ATOM 1231 CD PRO A 74 -17.423 9.362 15.307 1.00 0.00 C ATOM 0 HA PRO A 74 -16.539 10.445 18.162 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.336 11.930 16.225 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -16.677 12.299 16.653 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.237 11.235 14.273 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.791 10.748 15.134 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -18.401 9.267 14.835 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.768 8.631 14.833 1.00 0.00 H new ATOM 1239 N ASN A 75 -18.786 11.911 18.830 1.00 0.00 N ATOM 1240 CA ASN A 75 -19.900 12.270 19.699 1.00 0.00 C ATOM 1241 C ASN A 75 -21.132 12.644 18.880 1.00 0.00 C ATOM 1242 O ASN A 75 -22.148 11.950 18.917 1.00 0.00 O ATOM 1243 CB ASN A 75 -19.507 13.434 20.611 1.00 0.00 C ATOM 1244 CG ASN A 75 -18.949 12.965 21.941 1.00 0.00 C ATOM 1245 OD1 ASN A 75 -18.926 11.769 22.231 1.00 0.00 O ATOM 1246 ND2 ASN A 75 -18.494 13.908 22.757 1.00 0.00 N ATOM 0 H ASN A 75 -18.173 12.689 18.587 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.144 11.402 20.312 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -18.764 14.052 20.107 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.379 14.064 20.788 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.106 13.653 23.665 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.533 14.888 22.476 1.00 0.00 H new ATOM 1253 N THR A 76 -21.033 13.745 18.142 1.00 0.00 N ATOM 1254 CA THR A 76 -22.139 14.211 17.314 1.00 0.00 C ATOM 1255 C THR A 76 -22.466 13.199 16.221 1.00 0.00 C ATOM 1256 O THR A 76 -21.828 12.151 16.121 1.00 0.00 O ATOM 1257 CB THR A 76 -21.798 15.563 16.685 1.00 0.00 C ATOM 1258 OG1 THR A 76 -20.716 15.436 15.780 1.00 0.00 O ATOM 1259 CG2 THR A 76 -21.424 16.619 17.703 1.00 0.00 C ATOM 0 H THR A 76 -20.199 14.331 18.101 1.00 0.00 H new ATOM 0 HA THR A 76 -23.015 14.324 17.953 1.00 0.00 H new ATOM 0 HB THR A 76 -22.706 15.881 16.173 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.514 16.311 15.387 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.194 17.553 17.191 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.258 16.776 18.387 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.551 16.289 18.265 1.00 0.00 H new ATOM 1267 N LYS A 77 -23.463 13.519 15.404 1.00 0.00 N ATOM 1268 CA LYS A 77 -23.875 12.639 14.317 1.00 0.00 C ATOM 1269 C LYS A 77 -23.565 13.266 12.962 1.00 0.00 C ATOM 1270 O LYS A 77 -23.523 14.489 12.829 1.00 0.00 O ATOM 1271 CB LYS A 77 -25.370 12.331 14.421 1.00 0.00 C ATOM 1272 CG LYS A 77 -25.708 11.317 15.502 1.00 0.00 C ATOM 1273 CD LYS A 77 -26.093 9.971 14.909 1.00 0.00 C ATOM 1274 CE LYS A 77 -25.505 8.820 15.709 1.00 0.00 C ATOM 1275 NZ LYS A 77 -26.269 7.557 15.511 1.00 0.00 N ATOM 0 H LYS A 77 -24.002 14.382 15.474 1.00 0.00 H new ATOM 0 HA LYS A 77 -23.313 11.709 14.403 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -25.910 13.256 14.621 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -25.723 11.957 13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -24.851 11.191 16.164 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -26.529 11.695 16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -27.179 9.881 14.884 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -25.745 9.914 13.878 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.467 8.666 15.414 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -25.500 9.079 16.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.836 6.797 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -27.254 7.695 15.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -26.252 7.295 14.505 1.00 0.00 H new ATOM 1289 N ASP A 78 -23.350 12.421 11.959 1.00 0.00 N ATOM 1290 CA ASP A 78 -23.044 12.894 10.614 1.00 0.00 C ATOM 1291 C ASP A 78 -23.495 11.883 9.564 1.00 0.00 C ATOM 1292 O ASP A 78 -24.099 12.250 8.556 1.00 0.00 O ATOM 1293 CB ASP A 78 -21.543 13.158 10.473 1.00 0.00 C ATOM 1294 CG ASP A 78 -21.250 14.431 9.703 1.00 0.00 C ATOM 1295 OD1 ASP A 78 -21.769 15.497 10.099 1.00 0.00 O ATOM 1296 OD2 ASP A 78 -20.503 14.363 8.705 1.00 0.00 O ATOM 0 H ASP A 78 -23.382 11.406 12.052 1.00 0.00 H new ATOM 0 HA ASP A 78 -23.587 13.825 10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -21.094 13.224 11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -21.074 12.314 9.967 1.00 0.00 H new ATOM 1301 N HIS A 79 -23.197 10.611 9.805 1.00 0.00 N ATOM 1302 CA HIS A 79 -23.571 9.547 8.879 1.00 0.00 C ATOM 1303 C HIS A 79 -22.836 9.697 7.552 1.00 0.00 C ATOM 1304 O HIS A 79 -23.390 9.416 6.488 1.00 0.00 O ATOM 1305 CB HIS A 79 -25.083 9.551 8.642 1.00 0.00 C ATOM 1306 CG HIS A 79 -25.887 9.702 9.896 1.00 0.00 C ATOM 1307 ND1 HIS A 79 -26.251 8.635 10.690 1.00 0.00 N ATOM 1308 CD2 HIS A 79 -26.401 10.805 10.493 1.00 0.00 C ATOM 1309 CE1 HIS A 79 -26.952 9.074 11.721 1.00 0.00 C ATOM 1310 NE2 HIS A 79 -27.056 10.386 11.626 1.00 0.00 N ATOM 0 H HIS A 79 -22.697 10.291 10.634 1.00 0.00 H new ATOM 0 HA HIS A 79 -23.285 8.595 9.327 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -25.333 10.364 7.960 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -25.367 8.622 8.148 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -26.312 11.823 10.143 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -27.369 8.463 12.508 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -27.544 10.991 12.287 1.00 0.00 H new ATOM 1319 N GLY A 80 -21.585 10.144 7.621 1.00 0.00 N ATOM 1320 CA GLY A 80 -20.795 10.324 6.417 1.00 0.00 C ATOM 1321 C GLY A 80 -19.308 10.371 6.703 1.00 0.00 C ATOM 1322 O GLY A 80 -18.862 11.087 7.599 1.00 0.00 O ATOM 0 H GLY A 80 -21.105 10.384 8.489 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -21.003 9.509 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -21.096 11.248 5.923 1.00 0.00 H new ATOM 1326 N TYR A 81 -18.537 9.605 5.938 1.00 0.00 N ATOM 1327 CA TYR A 81 -17.090 9.562 6.112 1.00 0.00 C ATOM 1328 C TYR A 81 -16.395 10.496 5.127 1.00 0.00 C ATOM 1329 O TYR A 81 -16.990 10.925 4.139 1.00 0.00 O ATOM 1330 CB TYR A 81 -16.574 8.134 5.928 1.00 0.00 C ATOM 1331 CG TYR A 81 -17.134 7.439 4.706 1.00 0.00 C ATOM 1332 CD1 TYR A 81 -18.254 6.623 4.800 1.00 0.00 C ATOM 1333 CD2 TYR A 81 -16.542 7.601 3.459 1.00 0.00 C ATOM 1334 CE1 TYR A 81 -18.768 5.987 3.686 1.00 0.00 C ATOM 1335 CE2 TYR A 81 -17.051 6.968 2.341 1.00 0.00 C ATOM 1336 CZ TYR A 81 -18.163 6.163 2.460 1.00 0.00 C ATOM 1337 OH TYR A 81 -18.673 5.531 1.349 1.00 0.00 O ATOM 0 H TYR A 81 -18.890 9.006 5.192 1.00 0.00 H new ATOM 0 HA TYR A 81 -16.862 9.895 7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -15.487 8.156 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -16.823 7.550 6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -18.731 6.483 5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -15.670 8.231 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -19.639 5.355 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.580 7.104 1.379 1.00 0.00 H new ATOM 0 HH TYR A 81 -18.295 5.936 0.540 1.00 0.00 H new ATOM 1347 N THR A 82 -15.133 10.807 5.403 1.00 0.00 N ATOM 1348 CA THR A 82 -14.357 11.690 4.541 1.00 0.00 C ATOM 1349 C THR A 82 -12.880 11.660 4.921 1.00 0.00 C ATOM 1350 O THR A 82 -12.199 12.686 4.886 1.00 0.00 O ATOM 1351 CB THR A 82 -14.890 13.120 4.630 1.00 0.00 C ATOM 1352 OG1 THR A 82 -14.167 13.979 3.767 1.00 0.00 O ATOM 1353 CG2 THR A 82 -14.812 13.701 6.025 1.00 0.00 C ATOM 0 H THR A 82 -14.626 10.460 6.217 1.00 0.00 H new ATOM 0 HA THR A 82 -14.457 11.336 3.515 1.00 0.00 H new ATOM 0 HB THR A 82 -15.938 13.057 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.207 13.814 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 82 -15.206 14.717 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.400 13.088 6.708 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.773 13.717 6.355 1.00 0.00 H new ATOM 1361 N THR A 83 -12.390 10.480 5.284 1.00 0.00 N ATOM 1362 CA THR A 83 -10.996 10.318 5.670 1.00 0.00 C ATOM 1363 C THR A 83 -10.102 10.204 4.440 1.00 0.00 C ATOM 1364 O THR A 83 -9.018 10.786 4.391 1.00 0.00 O ATOM 1365 CB THR A 83 -10.837 9.084 6.557 1.00 0.00 C ATOM 1366 OG1 THR A 83 -11.606 8.002 6.059 1.00 0.00 O ATOM 1367 CG2 THR A 83 -11.251 9.323 7.995 1.00 0.00 C ATOM 0 H THR A 83 -12.939 9.621 5.319 1.00 0.00 H new ATOM 0 HA THR A 83 -10.690 11.200 6.232 1.00 0.00 H new ATOM 0 HB THR A 83 -9.773 8.850 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.368 7.183 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.113 8.407 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.638 10.116 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.300 9.618 8.027 1.00 0.00 H new ATOM 1375 N LEU A 84 -10.568 9.459 3.444 1.00 0.00 N ATOM 1376 CA LEU A 84 -9.820 9.276 2.206 1.00 0.00 C ATOM 1377 C LEU A 84 -10.697 8.656 1.122 1.00 0.00 C ATOM 1378 O LEU A 84 -10.287 7.716 0.440 1.00 0.00 O ATOM 1379 CB LEU A 84 -8.574 8.408 2.440 1.00 0.00 C ATOM 1380 CG LEU A 84 -8.773 7.148 3.294 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -8.689 7.481 4.776 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -10.097 6.465 2.974 1.00 0.00 C ATOM 0 H LEU A 84 -11.463 8.971 3.470 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.498 10.261 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.181 8.105 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.811 9.026 2.914 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.969 6.453 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.833 6.573 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.710 7.905 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.464 8.204 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.208 5.576 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.919 7.152 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.113 6.177 1.923 1.00 0.00 H new ATOM 1394 N ALA A 85 -11.906 9.185 0.967 1.00 0.00 N ATOM 1395 CA ALA A 85 -12.838 8.679 -0.034 1.00 0.00 C ATOM 1396 C ALA A 85 -12.759 9.481 -1.331 1.00 0.00 C ATOM 1397 O ALA A 85 -13.698 9.479 -2.128 1.00 0.00 O ATOM 1398 CB ALA A 85 -14.258 8.696 0.513 1.00 0.00 C ATOM 0 H ALA A 85 -12.263 9.963 1.521 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.556 7.651 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.944 8.316 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.313 8.067 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.535 9.717 0.774 1.00 0.00 H new ATOM 1404 N THR A 86 -11.636 10.161 -1.542 1.00 0.00 N ATOM 1405 CA THR A 86 -11.443 10.958 -2.748 1.00 0.00 C ATOM 1406 C THR A 86 -10.363 10.347 -3.634 1.00 0.00 C ATOM 1407 O THR A 86 -10.482 10.331 -4.858 1.00 0.00 O ATOM 1408 CB THR A 86 -11.067 12.395 -2.382 1.00 0.00 C ATOM 1409 OG1 THR A 86 -11.727 12.798 -1.194 1.00 0.00 O ATOM 1410 CG2 THR A 86 -11.412 13.398 -3.462 1.00 0.00 C ATOM 0 H THR A 86 -10.848 10.176 -0.895 1.00 0.00 H new ATOM 0 HA THR A 86 -12.382 10.967 -3.302 1.00 0.00 H new ATOM 0 HB THR A 86 -9.985 12.386 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.473 13.719 -0.975 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.119 14.397 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.880 13.143 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.486 13.377 -3.648 1.00 0.00 H new ATOM 1418 N SER A 87 -9.311 9.840 -3.001 1.00 0.00 N ATOM 1419 CA SER A 87 -8.205 9.220 -3.721 1.00 0.00 C ATOM 1420 C SER A 87 -7.417 8.294 -2.800 1.00 0.00 C ATOM 1421 O SER A 87 -6.747 8.748 -1.873 1.00 0.00 O ATOM 1422 CB SER A 87 -7.280 10.289 -4.304 1.00 0.00 C ATOM 1423 OG SER A 87 -6.522 10.920 -3.287 1.00 0.00 O ATOM 0 H SER A 87 -9.201 9.846 -1.987 1.00 0.00 H new ATOM 0 HA SER A 87 -8.619 8.630 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.609 9.835 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.871 11.034 -4.836 1.00 0.00 H new ATOM 0 HG SER A 87 -6.387 10.295 -2.544 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.507 6.994 -3.058 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.807 6.005 -2.248 1.00 0.00 C ATOM 1431 C VAL A 88 -5.793 5.225 -3.078 1.00 0.00 C ATOM 1432 O VAL A 88 -6.125 4.677 -4.128 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.793 5.012 -1.601 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.069 4.074 -0.647 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.908 5.757 -0.882 1.00 0.00 C ATOM 0 H VAL A 88 -8.058 6.601 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.284 6.554 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.239 4.410 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.785 3.383 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.313 3.511 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.589 4.655 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.594 5.039 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.480 6.388 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.450 6.378 -1.595 1.00 0.00 H new ATOM 1445 N THR A 89 -4.558 5.170 -2.591 1.00 0.00 N ATOM 1446 CA THR A 89 -3.497 4.444 -3.281 1.00 0.00 C ATOM 1447 C THR A 89 -3.443 3.005 -2.786 1.00 0.00 C ATOM 1448 O THR A 89 -3.418 2.757 -1.582 1.00 0.00 O ATOM 1449 CB THR A 89 -2.147 5.128 -3.059 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.892 5.301 -1.675 1.00 0.00 O ATOM 1451 CG2 THR A 89 -2.047 6.486 -3.720 1.00 0.00 C ATOM 0 H THR A 89 -4.267 5.619 -1.722 1.00 0.00 H new ATOM 0 HA THR A 89 -3.713 4.444 -4.349 1.00 0.00 H new ATOM 0 HB THR A 89 -1.411 4.466 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.023 5.738 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.065 6.915 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.187 6.378 -4.796 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.818 7.144 -3.318 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.441 2.058 -3.717 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.409 0.645 -3.358 1.00 0.00 C ATOM 1461 C LEU A 90 -2.031 0.037 -3.591 1.00 0.00 C ATOM 1462 O LEU A 90 -1.334 0.388 -4.544 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.459 -0.121 -4.166 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.799 -0.321 -3.456 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.955 0.015 -4.386 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -5.922 -1.748 -2.945 1.00 0.00 C ATOM 0 H LEU A 90 -3.461 2.241 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.634 0.565 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.636 0.411 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.053 -1.098 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.840 0.356 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.899 -0.134 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.876 1.055 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.919 -0.635 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.881 -1.873 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.858 -2.441 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.115 -1.954 -2.242 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.655 -0.888 -2.710 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.368 -1.569 -2.804 1.00 0.00 C ATOM 1480 C LEU A 91 -0.521 -3.044 -2.436 1.00 0.00 C ATOM 1481 O LEU A 91 -1.392 -3.403 -1.644 1.00 0.00 O ATOM 1482 CB LEU A 91 0.643 -0.898 -1.875 1.00 0.00 C ATOM 1483 CG LEU A 91 1.650 0.021 -2.568 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.941 1.204 -3.211 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.700 0.501 -1.576 1.00 0.00 C ATOM 0 H LEU A 91 -2.228 -1.183 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.008 -1.502 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.099 -0.318 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.191 -1.673 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 91 2.150 -0.545 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.674 1.846 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.227 0.842 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.414 1.772 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.409 1.154 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.214 1.051 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.229 -0.357 -1.162 1.00 0.00 H new ATOM 1497 N LYS A 92 0.319 -3.900 -3.012 1.00 0.00 N ATOM 1498 CA LYS A 92 0.250 -5.332 -2.728 1.00 0.00 C ATOM 1499 C LYS A 92 0.883 -5.649 -1.376 1.00 0.00 C ATOM 1500 O LYS A 92 2.057 -5.355 -1.141 1.00 0.00 O ATOM 1501 CB LYS A 92 0.944 -6.135 -3.830 1.00 0.00 C ATOM 1502 CG LYS A 92 0.244 -6.046 -5.174 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.636 -7.256 -5.440 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.157 -8.041 -6.649 1.00 0.00 C ATOM 1505 NZ LYS A 92 1.083 -8.811 -6.357 1.00 0.00 N ATOM 0 H LYS A 92 1.049 -3.632 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.802 -5.616 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.968 -5.779 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.000 -7.180 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.364 -5.142 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.989 -5.959 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.640 -7.904 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.664 -6.931 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.942 -8.726 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.028 -7.356 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.376 -9.332 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.840 -8.156 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.900 -9.483 -5.585 1.00 0.00 H new ATOM 1519 N ALA A 93 0.094 -6.258 -0.494 1.00 0.00 N ATOM 1520 CA ALA A 93 0.567 -6.622 0.837 1.00 0.00 C ATOM 1521 C ALA A 93 1.882 -7.387 0.765 1.00 0.00 C ATOM 1522 O ALA A 93 2.726 -7.273 1.652 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.486 -7.449 1.561 1.00 0.00 C ATOM 0 H ALA A 93 -0.877 -6.510 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 93 0.743 -5.703 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.121 -7.715 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.403 -6.868 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.688 -8.357 0.994 1.00 0.00 H new ATOM 1529 N SER A 94 2.049 -8.165 -0.297 1.00 0.00 N ATOM 1530 CA SER A 94 3.262 -8.949 -0.486 1.00 0.00 C ATOM 1531 C SER A 94 4.480 -8.045 -0.648 1.00 0.00 C ATOM 1532 O SER A 94 5.541 -8.310 -0.079 1.00 0.00 O ATOM 1533 CB SER A 94 3.121 -9.858 -1.709 1.00 0.00 C ATOM 1534 OG SER A 94 3.108 -9.102 -2.907 1.00 0.00 O ATOM 0 H SER A 94 1.359 -8.270 -1.041 1.00 0.00 H new ATOM 0 HA SER A 94 3.407 -9.564 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.946 -10.570 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.201 -10.438 -1.631 1.00 0.00 H new ATOM 0 HG SER A 94 3.019 -9.706 -3.674 1.00 0.00 H new ATOM 1540 N GLU A 95 4.324 -6.976 -1.424 1.00 0.00 N ATOM 1541 CA GLU A 95 5.421 -6.042 -1.653 1.00 0.00 C ATOM 1542 C GLU A 95 5.758 -5.285 -0.375 1.00 0.00 C ATOM 1543 O GLU A 95 6.922 -5.203 0.024 1.00 0.00 O ATOM 1544 CB GLU A 95 5.067 -5.051 -2.766 1.00 0.00 C ATOM 1545 CG GLU A 95 4.421 -5.693 -3.984 1.00 0.00 C ATOM 1546 CD GLU A 95 5.402 -5.918 -5.116 1.00 0.00 C ATOM 1547 OE1 GLU A 95 5.869 -4.920 -5.704 1.00 0.00 O ATOM 1548 OE2 GLU A 95 5.701 -7.093 -5.417 1.00 0.00 O ATOM 0 H GLU A 95 3.455 -6.736 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 95 6.293 -6.619 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.391 -4.296 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.974 -4.533 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.980 -6.647 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.607 -5.059 -4.335 1.00 0.00 H new ATOM 1555 N VAL A 96 4.733 -4.736 0.267 1.00 0.00 N ATOM 1556 CA VAL A 96 4.926 -3.990 1.502 1.00 0.00 C ATOM 1557 C VAL A 96 5.488 -4.891 2.591 1.00 0.00 C ATOM 1558 O VAL A 96 6.493 -4.570 3.223 1.00 0.00 O ATOM 1559 CB VAL A 96 3.612 -3.358 2.004 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.902 -2.287 3.044 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.812 -2.779 0.846 1.00 0.00 C ATOM 0 H VAL A 96 3.764 -4.794 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 96 5.633 -3.191 1.280 1.00 0.00 H new ATOM 0 HB VAL A 96 3.013 -4.140 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.964 -1.851 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.427 -2.733 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.523 -1.509 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.890 -2.339 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.401 -2.011 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.571 -3.572 0.138 1.00 0.00 H new ATOM 1571 N GLU A 97 4.835 -6.029 2.797 1.00 0.00 N ATOM 1572 CA GLU A 97 5.268 -6.988 3.807 1.00 0.00 C ATOM 1573 C GLU A 97 6.723 -7.383 3.590 1.00 0.00 C ATOM 1574 O GLU A 97 7.480 -7.545 4.548 1.00 0.00 O ATOM 1575 CB GLU A 97 4.380 -8.234 3.777 1.00 0.00 C ATOM 1576 CG GLU A 97 3.045 -8.046 4.480 1.00 0.00 C ATOM 1577 CD GLU A 97 2.672 -9.230 5.351 1.00 0.00 C ATOM 1578 OE1 GLU A 97 1.487 -9.624 5.341 1.00 0.00 O ATOM 1579 OE2 GLU A 97 3.566 -9.763 6.042 1.00 0.00 O ATOM 0 H GLU A 97 4.003 -6.310 2.278 1.00 0.00 H new ATOM 0 HA GLU A 97 5.179 -6.513 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.199 -8.516 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.914 -9.062 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.086 -7.146 5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.265 -7.888 3.735 1.00 0.00 H new ATOM 1586 N GLU A 98 7.113 -7.536 2.329 1.00 0.00 N ATOM 1587 CA GLU A 98 8.481 -7.910 2.002 1.00 0.00 C ATOM 1588 C GLU A 98 9.458 -6.830 2.465 1.00 0.00 C ATOM 1589 O GLU A 98 10.455 -7.114 3.142 1.00 0.00 O ATOM 1590 CB GLU A 98 8.614 -8.109 0.490 1.00 0.00 C ATOM 1591 CG GLU A 98 8.360 -9.531 0.021 1.00 0.00 C ATOM 1592 CD GLU A 98 9.172 -10.556 0.788 1.00 0.00 C ATOM 1593 OE1 GLU A 98 8.715 -10.988 1.868 1.00 0.00 O ATOM 1594 OE2 GLU A 98 10.262 -10.929 0.308 1.00 0.00 O ATOM 0 H GLU A 98 6.503 -7.407 1.521 1.00 0.00 H new ATOM 0 HA GLU A 98 8.720 -8.841 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.915 -7.442 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.617 -7.812 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.300 -9.760 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.597 -9.607 -1.040 1.00 0.00 H new ATOM 1601 N ILE A 99 9.154 -5.582 2.126 1.00 0.00 N ATOM 1602 CA ILE A 99 9.999 -4.469 2.531 1.00 0.00 C ATOM 1603 C ILE A 99 10.022 -4.370 4.048 1.00 0.00 C ATOM 1604 O ILE A 99 11.062 -4.114 4.653 1.00 0.00 O ATOM 1605 CB ILE A 99 9.536 -3.128 1.927 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.208 -3.287 0.439 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.611 -2.067 2.116 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.975 -2.526 0.008 1.00 0.00 C ATOM 0 H ILE A 99 8.336 -5.319 1.577 1.00 0.00 H new ATOM 0 HA ILE A 99 11.002 -4.666 2.152 1.00 0.00 H new ATOM 0 HB ILE A 99 8.631 -2.812 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.059 -2.947 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.068 -4.345 0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.272 -1.125 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.805 -1.931 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.527 -2.385 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.803 -2.684 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.112 -2.882 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.119 -1.462 0.198 1.00 0.00 H new ATOM 1620 N LEU A 100 8.862 -4.600 4.655 1.00 0.00 N ATOM 1621 CA LEU A 100 8.741 -4.564 6.107 1.00 0.00 C ATOM 1622 C LEU A 100 9.557 -5.690 6.727 1.00 0.00 C ATOM 1623 O LEU A 100 10.139 -5.537 7.800 1.00 0.00 O ATOM 1624 CB LEU A 100 7.276 -4.686 6.529 1.00 0.00 C ATOM 1625 CG LEU A 100 6.376 -3.515 6.126 1.00 0.00 C ATOM 1626 CD1 LEU A 100 5.057 -3.583 6.875 1.00 0.00 C ATOM 1627 CD2 LEU A 100 7.073 -2.186 6.384 1.00 0.00 C ATOM 0 H LEU A 100 7.994 -4.813 4.164 1.00 0.00 H new ATOM 0 HA LEU A 100 9.125 -3.608 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.867 -5.601 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.236 -4.797 7.613 1.00 0.00 H new ATOM 0 HG LEU A 100 6.172 -3.588 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.427 -2.744 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.551 -4.519 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.245 -3.535 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.416 -1.367 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.310 -2.099 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.993 -2.139 5.802 1.00 0.00 H new ATOM 1639 N ASP A 101 9.613 -6.821 6.026 1.00 0.00 N ATOM 1640 CA ASP A 101 10.376 -7.974 6.487 1.00 0.00 C ATOM 1641 C ASP A 101 11.862 -7.752 6.221 1.00 0.00 C ATOM 1642 O ASP A 101 12.718 -8.448 6.767 1.00 0.00 O ATOM 1643 CB ASP A 101 9.899 -9.248 5.787 1.00 0.00 C ATOM 1644 CG ASP A 101 8.972 -10.073 6.658 1.00 0.00 C ATOM 1645 OD1 ASP A 101 9.454 -11.032 7.296 1.00 0.00 O ATOM 1646 OD2 ASP A 101 7.763 -9.760 6.702 1.00 0.00 O ATOM 0 H ASP A 101 9.137 -6.961 5.135 1.00 0.00 H new ATOM 0 HA ASP A 101 10.219 -8.091 7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.384 -8.981 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.763 -9.851 5.507 1.00 0.00 H new ATOM 1651 N GLY A 102 12.153 -6.769 5.373 1.00 0.00 N ATOM 1652 CA GLY A 102 13.523 -6.445 5.029 1.00 0.00 C ATOM 1653 C GLY A 102 13.927 -6.998 3.680 1.00 0.00 C ATOM 1654 O GLY A 102 15.069 -6.833 3.249 1.00 0.00 O ATOM 0 H GLY A 102 11.453 -6.186 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.647 -5.362 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.190 -6.841 5.795 1.00 0.00 H new ATOM 1658 N ASN A 103 12.975 -7.615 2.991 1.00 0.00 N ATOM 1659 CA ASN A 103 13.224 -8.144 1.662 1.00 0.00 C ATOM 1660 C ASN A 103 12.583 -7.224 0.635 1.00 0.00 C ATOM 1661 O ASN A 103 11.363 -7.131 0.563 1.00 0.00 O ATOM 1662 CB ASN A 103 12.659 -9.560 1.531 1.00 0.00 C ATOM 1663 CG ASN A 103 13.222 -10.299 0.334 1.00 0.00 C ATOM 1664 OD1 ASN A 103 12.513 -10.238 -0.787 1.00 0.00 O flip ATOM 1665 ND2 ASN A 103 14.284 -10.917 0.414 1.00 0.00 N flip ATOM 0 H ASN A 103 12.025 -7.760 3.333 1.00 0.00 H new ATOM 0 HA ASN A 103 14.299 -8.193 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.881 -10.122 2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.574 -9.509 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.797 -10.938 1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.651 -11.408 -0.401 1.00 0.00 H new ATOM 1672 N ASP A 104 13.393 -6.526 -0.145 1.00 0.00 N ATOM 1673 CA ASP A 104 12.849 -5.607 -1.139 1.00 0.00 C ATOM 1674 C ASP A 104 13.888 -5.173 -2.168 1.00 0.00 C ATOM 1675 O ASP A 104 13.670 -4.212 -2.905 1.00 0.00 O ATOM 1676 CB ASP A 104 12.277 -4.376 -0.436 1.00 0.00 C ATOM 1677 CG ASP A 104 13.269 -3.744 0.519 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.619 -2.562 0.315 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.698 -4.429 1.471 1.00 0.00 O ATOM 0 H ASP A 104 14.411 -6.574 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 104 12.064 -6.138 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.977 -3.641 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.378 -4.659 0.112 1.00 0.00 H new ATOM 1684 N GLU A 105 15.008 -5.881 -2.226 1.00 0.00 N ATOM 1685 CA GLU A 105 16.071 -5.557 -3.172 1.00 0.00 C ATOM 1686 C GLU A 105 15.537 -5.518 -4.600 1.00 0.00 C ATOM 1687 O GLU A 105 15.934 -4.670 -5.399 1.00 0.00 O ATOM 1688 CB GLU A 105 17.206 -6.576 -3.067 1.00 0.00 C ATOM 1689 CG GLU A 105 17.792 -6.693 -1.669 1.00 0.00 C ATOM 1690 CD GLU A 105 18.928 -7.694 -1.595 1.00 0.00 C ATOM 1691 OE1 GLU A 105 19.963 -7.373 -0.974 1.00 0.00 O ATOM 1692 OE2 GLU A 105 18.784 -8.800 -2.158 1.00 0.00 O ATOM 0 H GLU A 105 15.205 -6.684 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 105 16.456 -4.569 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.836 -7.553 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.998 -6.298 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.152 -5.716 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.007 -6.988 -0.973 1.00 0.00 H new ATOM 1699 N LYS A 106 14.633 -6.439 -4.910 1.00 0.00 N ATOM 1700 CA LYS A 106 14.040 -6.509 -6.239 1.00 0.00 C ATOM 1701 C LYS A 106 13.154 -5.296 -6.498 1.00 0.00 C ATOM 1702 O LYS A 106 12.994 -4.862 -7.639 1.00 0.00 O ATOM 1703 CB LYS A 106 13.224 -7.793 -6.389 1.00 0.00 C ATOM 1704 CG LYS A 106 12.180 -7.981 -5.301 1.00 0.00 C ATOM 1705 CD LYS A 106 11.153 -9.032 -5.688 1.00 0.00 C ATOM 1706 CE LYS A 106 10.709 -9.847 -4.484 1.00 0.00 C ATOM 1707 NZ LYS A 106 9.273 -10.229 -4.570 1.00 0.00 N ATOM 0 H LYS A 106 14.295 -7.148 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 106 14.846 -6.513 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.728 -7.787 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.901 -8.647 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.670 -8.274 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.677 -7.033 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.287 -8.547 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.576 -9.696 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.320 -10.747 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.877 -9.271 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.131 -11.150 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.693 -9.509 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.990 -10.295 -5.569 1.00 0.00 H new ATOM 1721 N TYR A 107 12.577 -4.753 -5.430 1.00 0.00 N ATOM 1722 CA TYR A 107 11.708 -3.596 -5.535 1.00 0.00 C ATOM 1723 C TYR A 107 12.515 -2.311 -5.681 1.00 0.00 C ATOM 1724 O TYR A 107 12.131 -1.406 -6.423 1.00 0.00 O ATOM 1725 CB TYR A 107 10.823 -3.502 -4.296 1.00 0.00 C ATOM 1726 CG TYR A 107 10.007 -4.743 -4.020 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.239 -5.331 -5.014 1.00 0.00 C ATOM 1728 CD2 TYR A 107 10.000 -5.319 -2.758 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.484 -6.458 -4.758 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.251 -6.447 -2.492 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.493 -7.013 -3.495 1.00 0.00 C ATOM 1732 OH TYR A 107 7.743 -8.138 -3.235 1.00 0.00 O ATOM 0 H TYR A 107 12.700 -5.101 -4.479 1.00 0.00 H new ATOM 0 HA TYR A 107 11.090 -3.717 -6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.451 -3.294 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.147 -2.655 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.232 -4.900 -6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.591 -4.877 -1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.889 -6.903 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.258 -6.884 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 107 6.942 -8.135 -3.799 1.00 0.00 H new ATOM 1742 N LYS A 108 13.631 -2.230 -4.962 1.00 0.00 N ATOM 1743 CA LYS A 108 14.484 -1.044 -5.009 1.00 0.00 C ATOM 1744 C LYS A 108 15.307 -1.009 -6.298 1.00 0.00 C ATOM 1745 O LYS A 108 16.002 -0.030 -6.571 1.00 0.00 O ATOM 1746 CB LYS A 108 15.434 -0.986 -3.799 1.00 0.00 C ATOM 1747 CG LYS A 108 15.083 -1.933 -2.666 1.00 0.00 C ATOM 1748 CD LYS A 108 15.803 -1.554 -1.382 1.00 0.00 C ATOM 1749 CE LYS A 108 15.321 -0.216 -0.849 1.00 0.00 C ATOM 1750 NZ LYS A 108 16.426 0.780 -0.767 1.00 0.00 N ATOM 0 H LYS A 108 13.966 -2.968 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 108 13.824 -0.177 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.446 -1.208 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.444 0.033 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.006 -1.919 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.349 -2.952 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.640 -2.326 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.877 -1.509 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.532 0.169 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.884 -0.355 0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.238 1.443 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.325 0.287 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.487 1.306 -1.662 1.00 0.00 H new ATOM 1764 N ALA A 109 15.239 -2.084 -7.082 1.00 0.00 N ATOM 1765 CA ALA A 109 15.994 -2.167 -8.329 1.00 0.00 C ATOM 1766 C ALA A 109 15.080 -2.246 -9.550 1.00 0.00 C ATOM 1767 O ALA A 109 15.536 -2.557 -10.650 1.00 0.00 O ATOM 1768 CB ALA A 109 16.917 -3.372 -8.294 1.00 0.00 C ATOM 0 H ALA A 109 14.671 -2.906 -6.876 1.00 0.00 H new ATOM 0 HA ALA A 109 16.582 -1.254 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.477 -3.428 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.611 -3.275 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.326 -4.280 -8.170 1.00 0.00 H new ATOM 1774 N VAL A 110 13.793 -1.966 -9.355 1.00 0.00 N ATOM 1775 CA VAL A 110 12.820 -2.006 -10.446 1.00 0.00 C ATOM 1776 C VAL A 110 13.013 -3.240 -11.330 1.00 0.00 C ATOM 1777 O VAL A 110 12.768 -3.196 -12.535 1.00 0.00 O ATOM 1778 CB VAL A 110 12.903 -0.736 -11.321 1.00 0.00 C ATOM 1779 CG1 VAL A 110 14.235 -0.662 -12.053 1.00 0.00 C ATOM 1780 CG2 VAL A 110 11.743 -0.687 -12.304 1.00 0.00 C ATOM 0 H VAL A 110 13.399 -1.708 -8.450 1.00 0.00 H new ATOM 0 HA VAL A 110 11.835 -2.056 -9.982 1.00 0.00 H new ATOM 0 HB VAL A 110 12.834 0.132 -10.665 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.266 0.242 -12.661 1.00 0.00 H new ATOM 0 HG12 VAL A 110 15.048 -0.639 -11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.346 -1.536 -12.695 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.819 0.215 -12.912 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.777 -1.564 -12.950 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.801 -0.677 -11.755 1.00 0.00 H new ATOM 1790 N SER A 111 13.454 -4.337 -10.722 1.00 0.00 N ATOM 1791 CA SER A 111 13.681 -5.577 -11.458 1.00 0.00 C ATOM 1792 C SER A 111 13.107 -6.775 -10.707 1.00 0.00 C ATOM 1793 O SER A 111 12.847 -6.703 -9.506 1.00 0.00 O ATOM 1794 CB SER A 111 15.177 -5.784 -11.700 1.00 0.00 C ATOM 1795 OG SER A 111 15.944 -5.280 -10.619 1.00 0.00 O ATOM 0 H SER A 111 13.661 -4.393 -9.725 1.00 0.00 H new ATOM 0 HA SER A 111 13.170 -5.496 -12.417 1.00 0.00 H new ATOM 0 HB2 SER A 111 15.384 -6.846 -11.832 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.472 -5.285 -12.623 1.00 0.00 H new ATOM 0 HG SER A 111 15.948 -4.300 -10.649 1.00 0.00 H new ATOM 1801 N ILE A 112 12.915 -7.877 -11.426 1.00 0.00 N ATOM 1802 CA ILE A 112 12.376 -9.097 -10.834 1.00 0.00 C ATOM 1803 C ILE A 112 13.165 -10.320 -11.289 1.00 0.00 C ATOM 1804 O ILE A 112 12.620 -11.418 -11.399 1.00 0.00 O ATOM 1805 CB ILE A 112 10.892 -9.293 -11.201 1.00 0.00 C ATOM 1806 CG1 ILE A 112 10.110 -7.997 -10.980 1.00 0.00 C ATOM 1807 CG2 ILE A 112 10.289 -10.428 -10.384 1.00 0.00 C ATOM 1808 CD1 ILE A 112 10.031 -7.577 -9.528 1.00 0.00 C ATOM 0 H ILE A 112 13.125 -7.950 -12.421 1.00 0.00 H new ATOM 0 HA ILE A 112 12.463 -8.990 -9.753 1.00 0.00 H new ATOM 0 HB ILE A 112 10.828 -9.556 -12.257 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.577 -7.198 -11.556 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.099 -8.121 -11.369 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.241 -10.554 -10.655 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.830 -11.352 -10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.364 -10.192 -9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.462 -6.651 -9.448 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.537 -8.358 -8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.037 -7.420 -9.139 1.00 0.00 H new ATOM 1820 N SER A 113 14.452 -10.122 -11.555 1.00 0.00 N ATOM 1821 CA SER A 113 15.316 -11.208 -12.001 1.00 0.00 C ATOM 1822 C SER A 113 15.970 -11.907 -10.813 1.00 0.00 C ATOM 1823 O SER A 113 15.792 -13.136 -10.679 1.00 0.00 O ATOM 1824 CB SER A 113 16.391 -10.676 -12.951 1.00 0.00 C ATOM 1825 OG SER A 113 15.886 -9.626 -13.756 1.00 0.00 O ATOM 1826 OXT SER A 113 16.654 -11.219 -10.027 1.00 0.00 O ATOM 0 H SER A 113 14.919 -9.219 -11.469 1.00 0.00 H new ATOM 0 HA SER A 113 14.700 -11.934 -12.532 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.245 -10.319 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.751 -11.485 -13.587 1.00 0.00 H new ATOM 0 HG SER A 113 16.593 -9.302 -14.353 1.00 0.00 H new TER 1832 SER A 113