USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 949 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 64:sc= 1.11 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.555 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.233 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 69:sc= -0.343 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0.922 (180deg=0.918) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.651 K(o=-0.65,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 18:sc= 0.367 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 53 SER OG : rot 36:sc= 0.665 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0446 K(o=-0.045,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -19:sc= 0.621 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0594 K(o=-0.059,f=-1.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.284 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 163:sc= -0.327 (180deg=-0.794) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -18:sc= 0.316 USER MOD Single : A 96 LYS NZ :NH3+ -155:sc= -0.0816 (180deg=-0.447) USER MOD Single : A 97 ASN : amide:sc= -0.836 K(o=-0.84,f=-1.7) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 107 GLN : amide:sc= -1.97! C(o=-2!,f=-3.3!) USER MOD Single : A 108 HIS : no HD1:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 21:sc= 0.93 USER MOD Single : A 114 TYR OH : rot 30:sc=-0.00252 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.705 8.984 5.760 1.00 0.00 N ATOM 2 CA GLY A 1 18.649 10.042 6.072 1.00 0.00 C ATOM 3 C GLY A 1 18.824 11.018 4.926 1.00 0.00 C ATOM 4 O GLY A 1 19.116 10.618 3.799 1.00 0.00 O ATOM 0 H1 GLY A 1 17.620 8.343 6.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.775 9.399 5.548 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.042 8.450 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.307 10.581 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.615 9.602 6.321 1.00 0.00 H new ATOM 8 N SER A 2 18.645 12.304 5.213 1.00 0.00 N ATOM 9 CA SER A 2 18.780 13.340 4.196 1.00 0.00 C ATOM 10 C SER A 2 20.042 13.127 3.367 1.00 0.00 C ATOM 11 O SER A 2 21.158 13.232 3.876 1.00 0.00 O ATOM 12 CB SER A 2 18.813 14.724 4.849 1.00 0.00 C ATOM 13 OG SER A 2 17.646 14.952 5.620 1.00 0.00 O ATOM 0 H SER A 2 18.406 12.653 6.141 1.00 0.00 H new ATOM 0 HA SER A 2 17.917 13.278 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.695 14.809 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.900 15.491 4.079 1.00 0.00 H new ATOM 0 HG SER A 2 17.692 15.842 6.028 1.00 0.00 H new ATOM 19 N SER A 3 19.857 12.826 2.085 1.00 0.00 N ATOM 20 CA SER A 3 20.980 12.593 1.185 1.00 0.00 C ATOM 21 C SER A 3 20.788 13.346 -0.129 1.00 0.00 C ATOM 22 O SER A 3 19.664 13.527 -0.595 1.00 0.00 O ATOM 23 CB SER A 3 21.138 11.096 0.909 1.00 0.00 C ATOM 24 OG SER A 3 21.326 10.373 2.113 1.00 0.00 O ATOM 0 H SER A 3 18.940 12.738 1.647 1.00 0.00 H new ATOM 0 HA SER A 3 21.884 12.964 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.254 10.723 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.988 10.933 0.246 1.00 0.00 H new ATOM 0 HG SER A 3 20.524 10.452 2.671 1.00 0.00 H new ATOM 30 N GLY A 4 21.895 13.782 -0.721 1.00 0.00 N ATOM 31 CA GLY A 4 21.829 14.511 -1.974 1.00 0.00 C ATOM 32 C GLY A 4 22.724 15.734 -1.982 1.00 0.00 C ATOM 33 O GLY A 4 23.844 15.695 -1.472 1.00 0.00 O ATOM 0 H GLY A 4 22.837 13.643 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.116 13.849 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.799 14.817 -2.159 1.00 0.00 H new ATOM 37 N SER A 5 22.231 16.822 -2.564 1.00 0.00 N ATOM 38 CA SER A 5 22.996 18.061 -2.642 1.00 0.00 C ATOM 39 C SER A 5 22.922 18.829 -1.325 1.00 0.00 C ATOM 40 O SER A 5 21.837 19.143 -0.837 1.00 0.00 O ATOM 41 CB SER A 5 22.476 18.936 -3.784 1.00 0.00 C ATOM 42 OG SER A 5 22.985 18.499 -5.033 1.00 0.00 O ATOM 0 H SER A 5 21.305 16.871 -2.989 1.00 0.00 H new ATOM 0 HA SER A 5 24.037 17.804 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.387 18.907 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.765 19.973 -3.613 1.00 0.00 H new ATOM 0 HG SER A 5 22.637 19.073 -5.747 1.00 0.00 H new ATOM 48 N SER A 6 24.086 19.126 -0.755 1.00 0.00 N ATOM 49 CA SER A 6 24.155 19.853 0.507 1.00 0.00 C ATOM 50 C SER A 6 23.380 21.165 0.422 1.00 0.00 C ATOM 51 O SER A 6 23.806 22.108 -0.243 1.00 0.00 O ATOM 52 CB SER A 6 25.612 20.131 0.881 1.00 0.00 C ATOM 53 OG SER A 6 26.276 20.842 -0.150 1.00 0.00 O ATOM 0 H SER A 6 24.993 18.874 -1.147 1.00 0.00 H new ATOM 0 HA SER A 6 23.701 19.233 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.650 20.706 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.129 19.190 1.069 1.00 0.00 H new ATOM 0 HG SER A 6 25.653 21.475 -0.564 1.00 0.00 H new ATOM 59 N GLY A 7 22.239 21.216 1.101 1.00 0.00 N ATOM 60 CA GLY A 7 21.422 22.415 1.090 1.00 0.00 C ATOM 61 C GLY A 7 19.982 22.140 1.474 1.00 0.00 C ATOM 62 O GLY A 7 19.217 21.588 0.684 1.00 0.00 O ATOM 0 H GLY A 7 21.865 20.448 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.845 23.145 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.451 22.861 0.096 1.00 0.00 H new ATOM 66 N GLU A 8 19.612 22.523 2.692 1.00 0.00 N ATOM 67 CA GLU A 8 18.254 22.311 3.180 1.00 0.00 C ATOM 68 C GLU A 8 17.593 23.638 3.543 1.00 0.00 C ATOM 69 O GLU A 8 18.091 24.382 4.389 1.00 0.00 O ATOM 70 CB GLU A 8 18.265 21.384 4.397 1.00 0.00 C ATOM 71 CG GLU A 8 19.423 21.640 5.347 1.00 0.00 C ATOM 72 CD GLU A 8 19.247 20.942 6.682 1.00 0.00 C ATOM 73 OE1 GLU A 8 18.536 21.489 7.550 1.00 0.00 O ATOM 74 OE2 GLU A 8 19.822 19.847 6.858 1.00 0.00 O ATOM 0 H GLU A 8 20.233 22.981 3.359 1.00 0.00 H new ATOM 0 HA GLU A 8 17.677 21.844 2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.328 21.501 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.308 20.350 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 8 20.350 21.302 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 8 19.522 22.713 5.512 1.00 0.00 H new ATOM 81 N THR A 9 16.468 23.928 2.897 1.00 0.00 N ATOM 82 CA THR A 9 15.739 25.165 3.149 1.00 0.00 C ATOM 83 C THR A 9 14.251 24.993 2.868 1.00 0.00 C ATOM 84 O THR A 9 13.863 24.322 1.912 1.00 0.00 O ATOM 85 CB THR A 9 16.282 26.322 2.290 1.00 0.00 C ATOM 86 OG1 THR A 9 17.713 26.343 2.343 1.00 0.00 O ATOM 87 CG2 THR A 9 15.733 27.657 2.770 1.00 0.00 C ATOM 0 H THR A 9 16.042 23.323 2.195 1.00 0.00 H new ATOM 0 HA THR A 9 15.881 25.407 4.202 1.00 0.00 H new ATOM 0 HB THR A 9 15.959 26.163 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.050 27.081 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.131 28.459 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.645 27.649 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.029 27.821 3.806 1.00 0.00 H new ATOM 95 N GLY A 10 13.420 25.604 3.708 1.00 0.00 N ATOM 96 CA GLY A 10 11.983 25.506 3.532 1.00 0.00 C ATOM 97 C GLY A 10 11.491 26.289 2.331 1.00 0.00 C ATOM 98 O GLY A 10 12.146 26.319 1.290 1.00 0.00 O ATOM 0 H GLY A 10 13.717 26.165 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.705 24.458 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.484 25.872 4.430 1.00 0.00 H new ATOM 102 N GLY A 11 10.333 26.925 2.475 1.00 0.00 N ATOM 103 CA GLY A 11 9.772 27.702 1.385 1.00 0.00 C ATOM 104 C GLY A 11 9.048 26.840 0.371 1.00 0.00 C ATOM 105 O GLY A 11 7.886 27.090 0.051 1.00 0.00 O ATOM 0 H GLY A 11 9.773 26.916 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.080 28.441 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.570 28.251 0.886 1.00 0.00 H new ATOM 109 N GLU A 12 9.737 25.823 -0.138 1.00 0.00 N ATOM 110 CA GLU A 12 9.151 24.923 -1.125 1.00 0.00 C ATOM 111 C GLU A 12 7.748 24.495 -0.706 1.00 0.00 C ATOM 112 O GLU A 12 7.376 24.606 0.463 1.00 0.00 O ATOM 113 CB GLU A 12 10.038 23.689 -1.312 1.00 0.00 C ATOM 114 CG GLU A 12 11.288 23.957 -2.132 1.00 0.00 C ATOM 115 CD GLU A 12 12.444 23.056 -1.744 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.742 22.959 -0.536 1.00 0.00 O ATOM 117 OE2 GLU A 12 13.052 22.448 -2.651 1.00 0.00 O ATOM 0 H GLU A 12 10.700 25.602 0.116 1.00 0.00 H new ATOM 0 HA GLU A 12 9.081 25.459 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.330 23.310 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.457 22.904 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.062 23.817 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.585 24.998 -2.005 1.00 0.00 H new ATOM 124 N ARG A 13 6.972 24.006 -1.668 1.00 0.00 N ATOM 125 CA ARG A 13 5.609 23.563 -1.400 1.00 0.00 C ATOM 126 C ARG A 13 5.588 22.503 -0.303 1.00 0.00 C ATOM 127 O ARG A 13 6.633 21.999 0.106 1.00 0.00 O ATOM 128 CB ARG A 13 4.972 23.006 -2.675 1.00 0.00 C ATOM 129 CG ARG A 13 4.852 24.029 -3.792 1.00 0.00 C ATOM 130 CD ARG A 13 4.932 23.371 -5.161 1.00 0.00 C ATOM 131 NE ARG A 13 6.243 22.775 -5.405 1.00 0.00 N ATOM 132 CZ ARG A 13 6.563 22.137 -6.526 1.00 0.00 C ATOM 133 NH1 ARG A 13 5.672 22.013 -7.499 1.00 0.00 N ATOM 134 NH2 ARG A 13 7.777 21.622 -6.674 1.00 0.00 N ATOM 0 H ARG A 13 7.264 23.907 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 13 5.033 24.424 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.565 22.162 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.980 22.622 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.906 24.562 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.646 24.769 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.164 22.602 -5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.721 24.112 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 13 6.951 22.853 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.738 22.408 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.920 21.523 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.465 21.716 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.022 21.132 -7.535 1.00 0.00 H new ATOM 148 N GLN A 14 4.390 22.171 0.168 1.00 0.00 N ATOM 149 CA GLN A 14 4.234 21.172 1.219 1.00 0.00 C ATOM 150 C GLN A 14 3.435 19.974 0.716 1.00 0.00 C ATOM 151 O GLN A 14 2.252 20.094 0.393 1.00 0.00 O ATOM 152 CB GLN A 14 3.542 21.786 2.437 1.00 0.00 C ATOM 153 CG GLN A 14 4.093 23.148 2.827 1.00 0.00 C ATOM 154 CD GLN A 14 3.762 23.523 4.258 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.653 23.970 4.555 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.725 23.344 5.155 1.00 0.00 N ATOM 0 H GLN A 14 3.515 22.578 -0.161 1.00 0.00 H new ATOM 0 HA GLN A 14 5.227 20.828 1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.476 21.880 2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.643 21.106 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.175 23.149 2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.690 23.905 2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.629 22.971 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.561 23.580 6.134 1.00 0.00 H new ATOM 165 N LEU A 15 4.088 18.819 0.651 1.00 0.00 N ATOM 166 CA LEU A 15 3.439 17.598 0.187 1.00 0.00 C ATOM 167 C LEU A 15 2.377 17.135 1.179 1.00 0.00 C ATOM 168 O LEU A 15 2.640 17.017 2.376 1.00 0.00 O ATOM 169 CB LEU A 15 4.476 16.492 -0.020 1.00 0.00 C ATOM 170 CG LEU A 15 3.989 15.062 0.214 1.00 0.00 C ATOM 171 CD1 LEU A 15 3.003 14.650 -0.868 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.165 14.099 0.262 1.00 0.00 C ATOM 0 H LEU A 15 5.067 18.702 0.914 1.00 0.00 H new ATOM 0 HA LEU A 15 2.952 17.814 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.855 16.563 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.317 16.681 0.646 1.00 0.00 H new ATOM 0 HG LEU A 15 3.477 15.026 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.667 13.629 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.145 15.322 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.489 14.703 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.799 13.086 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.706 14.138 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.834 14.382 1.075 1.00 0.00 H new ATOM 184 N SER A 16 1.176 16.872 0.673 1.00 0.00 N ATOM 185 CA SER A 16 0.073 16.423 1.514 1.00 0.00 C ATOM 186 C SER A 16 -0.349 15.005 1.145 1.00 0.00 C ATOM 187 O SER A 16 -0.729 14.718 0.010 1.00 0.00 O ATOM 188 CB SER A 16 -1.118 17.374 1.380 1.00 0.00 C ATOM 189 OG SER A 16 -2.158 17.018 2.275 1.00 0.00 O ATOM 0 H SER A 16 0.942 16.962 -0.316 1.00 0.00 H new ATOM 0 HA SER A 16 0.414 16.423 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.796 18.396 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.492 17.352 0.356 1.00 0.00 H new ATOM 0 HG SER A 16 -2.907 17.642 2.171 1.00 0.00 H new ATOM 195 N PRO A 17 -0.282 14.094 2.128 1.00 0.00 N ATOM 196 CA PRO A 17 -0.654 12.689 1.932 1.00 0.00 C ATOM 197 C PRO A 17 -2.155 12.509 1.734 1.00 0.00 C ATOM 198 O PRO A 17 -2.591 11.863 0.782 1.00 0.00 O ATOM 199 CB PRO A 17 -0.201 12.018 3.231 1.00 0.00 C ATOM 200 CG PRO A 17 -0.211 13.110 4.245 1.00 0.00 C ATOM 201 CD PRO A 17 0.162 14.365 3.505 1.00 0.00 C ATOM 0 HA PRO A 17 -0.197 12.267 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.874 11.209 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.793 11.584 3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.194 13.206 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.498 12.904 5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.335 15.240 3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.234 14.555 3.551 1.00 0.00 H new ATOM 209 N GLU A 18 -2.940 13.085 2.640 1.00 0.00 N ATOM 210 CA GLU A 18 -4.393 12.987 2.564 1.00 0.00 C ATOM 211 C GLU A 18 -4.885 13.289 1.151 1.00 0.00 C ATOM 212 O GLU A 18 -5.806 12.643 0.651 1.00 0.00 O ATOM 213 CB GLU A 18 -5.044 13.948 3.559 1.00 0.00 C ATOM 214 CG GLU A 18 -4.511 15.368 3.472 1.00 0.00 C ATOM 215 CD GLU A 18 -4.974 16.238 4.625 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.178 16.192 4.954 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.134 16.963 5.197 1.00 0.00 O ATOM 0 H GLU A 18 -2.594 13.624 3.434 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.677 11.966 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.120 13.962 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.888 13.572 4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.421 15.343 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.833 15.816 2.532 1.00 0.00 H new ATOM 224 N LYS A 19 -4.265 14.275 0.513 1.00 0.00 N ATOM 225 CA LYS A 19 -4.637 14.665 -0.842 1.00 0.00 C ATOM 226 C LYS A 19 -4.254 13.581 -1.844 1.00 0.00 C ATOM 227 O LYS A 19 -5.044 13.222 -2.717 1.00 0.00 O ATOM 228 CB LYS A 19 -3.962 15.985 -1.219 1.00 0.00 C ATOM 229 CG LYS A 19 -4.720 17.213 -0.743 1.00 0.00 C ATOM 230 CD LYS A 19 -6.023 17.394 -1.503 1.00 0.00 C ATOM 231 CE LYS A 19 -6.798 18.602 -1.000 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.579 18.288 0.228 1.00 0.00 N ATOM 0 H LYS A 19 -3.501 14.820 0.913 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.719 14.797 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.957 16.003 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.854 16.032 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.929 17.122 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.097 18.098 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.812 17.512 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.635 16.498 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.105 19.417 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.474 18.951 -1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.093 19.137 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.258 17.528 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.932 17.980 0.982 1.00 0.00 H new ATOM 246 N SER A 20 -3.037 13.063 -1.712 1.00 0.00 N ATOM 247 CA SER A 20 -2.548 12.022 -2.608 1.00 0.00 C ATOM 248 C SER A 20 -3.631 10.981 -2.873 1.00 0.00 C ATOM 249 O SER A 20 -4.245 10.458 -1.944 1.00 0.00 O ATOM 250 CB SER A 20 -1.311 11.347 -2.013 1.00 0.00 C ATOM 251 OG SER A 20 -0.265 12.282 -1.814 1.00 0.00 O ATOM 0 H SER A 20 -2.372 13.347 -0.993 1.00 0.00 H new ATOM 0 HA SER A 20 -2.278 12.490 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.570 10.879 -1.063 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.971 10.553 -2.678 1.00 0.00 H new ATOM 0 HG SER A 20 -0.512 12.901 -1.096 1.00 0.00 H new ATOM 257 N GLU A 21 -3.860 10.685 -4.149 1.00 0.00 N ATOM 258 CA GLU A 21 -4.869 9.707 -4.537 1.00 0.00 C ATOM 259 C GLU A 21 -4.219 8.398 -4.975 1.00 0.00 C ATOM 260 O GLU A 21 -3.379 8.381 -5.876 1.00 0.00 O ATOM 261 CB GLU A 21 -5.739 10.261 -5.668 1.00 0.00 C ATOM 262 CG GLU A 21 -6.173 11.701 -5.453 1.00 0.00 C ATOM 263 CD GLU A 21 -7.424 12.056 -6.233 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.535 11.787 -5.729 1.00 0.00 O ATOM 265 OE2 GLU A 21 -7.292 12.603 -7.348 1.00 0.00 O ATOM 0 H GLU A 21 -3.360 11.109 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.497 9.507 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.188 10.193 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.625 9.635 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.352 11.868 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.364 12.368 -5.748 1.00 0.00 H new ATOM 272 N ILE A 22 -4.613 7.304 -4.332 1.00 0.00 N ATOM 273 CA ILE A 22 -4.069 5.991 -4.654 1.00 0.00 C ATOM 274 C ILE A 22 -5.083 5.151 -5.423 1.00 0.00 C ATOM 275 O ILE A 22 -5.992 4.566 -4.836 1.00 0.00 O ATOM 276 CB ILE A 22 -3.645 5.230 -3.385 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.685 6.080 -2.550 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.001 3.902 -3.754 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.225 5.401 -1.279 1.00 0.00 C ATOM 0 H ILE A 22 -5.307 7.301 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.190 6.157 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.534 5.027 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.813 6.329 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.174 7.020 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.707 3.376 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.714 3.294 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.120 4.083 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.547 6.062 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.089 5.176 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.707 4.475 -1.528 1.00 0.00 H new ATOM 291 N TRP A 23 -4.918 5.094 -6.740 1.00 0.00 N ATOM 292 CA TRP A 23 -5.818 4.323 -7.590 1.00 0.00 C ATOM 293 C TRP A 23 -5.075 3.180 -8.274 1.00 0.00 C ATOM 294 O TRP A 23 -3.850 3.201 -8.382 1.00 0.00 O ATOM 295 CB TRP A 23 -6.462 5.229 -8.640 1.00 0.00 C ATOM 296 CG TRP A 23 -5.621 5.408 -9.867 1.00 0.00 C ATOM 297 CD1 TRP A 23 -5.753 4.747 -11.055 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.517 6.305 -10.026 1.00 0.00 C ATOM 299 NE1 TRP A 23 -4.798 5.180 -11.943 1.00 0.00 N ATOM 300 CE2 TRP A 23 -4.027 6.136 -11.336 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.895 7.236 -9.190 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.945 6.863 -11.826 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.821 7.957 -9.677 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.356 7.768 -10.985 1.00 0.00 C ATOM 0 H TRP A 23 -4.170 5.572 -7.242 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.599 3.898 -6.959 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.427 4.811 -8.927 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.657 6.205 -8.196 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -6.499 3.994 -11.265 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.682 4.844 -12.899 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.247 7.390 -8.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.584 6.718 -12.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.332 8.678 -9.039 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.516 8.348 -11.337 1.00 0.00 H new ATOM 315 N GLY A 24 -5.825 2.183 -8.734 1.00 0.00 N ATOM 316 CA GLY A 24 -5.220 1.046 -9.402 1.00 0.00 C ATOM 317 C GLY A 24 -5.984 -0.241 -9.163 1.00 0.00 C ATOM 318 O GLY A 24 -6.814 -0.337 -8.258 1.00 0.00 O ATOM 0 H GLY A 24 -6.841 2.143 -8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.171 1.242 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.195 0.926 -9.052 1.00 0.00 H new ATOM 322 N PRO A 25 -5.708 -1.260 -9.990 1.00 0.00 N ATOM 323 CA PRO A 25 -6.366 -2.566 -9.886 1.00 0.00 C ATOM 324 C PRO A 25 -5.938 -3.332 -8.639 1.00 0.00 C ATOM 325 O PRO A 25 -6.388 -4.452 -8.402 1.00 0.00 O ATOM 326 CB PRO A 25 -5.905 -3.298 -11.148 1.00 0.00 C ATOM 327 CG PRO A 25 -4.609 -2.657 -11.506 1.00 0.00 C ATOM 328 CD PRO A 25 -4.731 -1.216 -11.091 1.00 0.00 C ATOM 0 HA PRO A 25 -7.449 -2.471 -9.804 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.781 -4.365 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.633 -3.196 -11.953 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.779 -3.142 -10.993 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.415 -2.740 -12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.774 -0.810 -10.763 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.079 -0.589 -11.912 1.00 0.00 H new ATOM 336 N GLY A 26 -5.064 -2.721 -7.844 1.00 0.00 N ATOM 337 CA GLY A 26 -4.590 -3.361 -6.632 1.00 0.00 C ATOM 338 C GLY A 26 -5.650 -3.408 -5.548 1.00 0.00 C ATOM 339 O GLY A 26 -5.522 -4.154 -4.576 1.00 0.00 O ATOM 0 H GLY A 26 -4.676 -1.794 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.266 -4.376 -6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.717 -2.825 -6.259 1.00 0.00 H new ATOM 343 N LEU A 27 -6.698 -2.610 -5.714 1.00 0.00 N ATOM 344 CA LEU A 27 -7.784 -2.561 -4.741 1.00 0.00 C ATOM 345 C LEU A 27 -9.127 -2.837 -5.410 1.00 0.00 C ATOM 346 O LEU A 27 -10.182 -2.494 -4.876 1.00 0.00 O ATOM 347 CB LEU A 27 -7.816 -1.197 -4.050 1.00 0.00 C ATOM 348 CG LEU A 27 -6.467 -0.648 -3.585 1.00 0.00 C ATOM 349 CD1 LEU A 27 -6.509 0.869 -3.498 1.00 0.00 C ATOM 350 CD2 LEU A 27 -6.081 -1.251 -2.242 1.00 0.00 C ATOM 0 H LEU A 27 -6.819 -1.988 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.605 -3.335 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.263 -0.476 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.475 -1.266 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.710 -0.928 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.540 1.241 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.740 1.283 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.278 1.172 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.118 -0.849 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.839 -1.002 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.008 -2.334 -2.337 1.00 0.00 H new ATOM 362 N LYS A 28 -9.081 -3.461 -6.582 1.00 0.00 N ATOM 363 CA LYS A 28 -10.293 -3.787 -7.324 1.00 0.00 C ATOM 364 C LYS A 28 -10.826 -5.158 -6.920 1.00 0.00 C ATOM 365 O LYS A 28 -10.197 -5.875 -6.143 1.00 0.00 O ATOM 366 CB LYS A 28 -10.018 -3.759 -8.829 1.00 0.00 C ATOM 367 CG LYS A 28 -9.454 -5.062 -9.369 1.00 0.00 C ATOM 368 CD LYS A 28 -9.269 -5.007 -10.877 1.00 0.00 C ATOM 369 CE LYS A 28 -8.977 -6.384 -11.452 1.00 0.00 C ATOM 370 NZ LYS A 28 -10.226 -7.146 -11.732 1.00 0.00 N ATOM 0 H LYS A 28 -8.216 -3.751 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.048 -3.038 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.945 -3.528 -9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.318 -2.952 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.497 -5.271 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.124 -5.883 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.168 -4.601 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.451 -4.329 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.402 -6.279 -12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.358 -6.946 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.985 -8.058 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.738 -7.313 -10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.828 -6.599 -12.380 1.00 0.00 H new ATOM 384 N ALA A 29 -11.989 -5.516 -7.454 1.00 0.00 N ATOM 385 CA ALA A 29 -12.605 -6.803 -7.152 1.00 0.00 C ATOM 386 C ALA A 29 -12.203 -7.858 -8.177 1.00 0.00 C ATOM 387 O ALA A 29 -11.626 -7.539 -9.216 1.00 0.00 O ATOM 388 CB ALA A 29 -14.119 -6.664 -7.099 1.00 0.00 C ATOM 0 H ALA A 29 -12.524 -4.933 -8.098 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.247 -7.129 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.566 -7.632 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.392 -5.948 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.486 -6.312 -8.063 1.00 0.00 H new ATOM 394 N ASP A 30 -12.511 -9.115 -7.876 1.00 0.00 N ATOM 395 CA ASP A 30 -12.183 -10.217 -8.773 1.00 0.00 C ATOM 396 C ASP A 30 -10.754 -10.088 -9.292 1.00 0.00 C ATOM 397 O ASP A 30 -10.454 -10.485 -10.418 1.00 0.00 O ATOM 398 CB ASP A 30 -13.164 -10.259 -9.946 1.00 0.00 C ATOM 399 CG ASP A 30 -14.578 -10.583 -9.506 1.00 0.00 C ATOM 400 OD1 ASP A 30 -14.858 -11.770 -9.238 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.405 -9.650 -9.432 1.00 0.00 O ATOM 0 H ASP A 30 -12.987 -9.396 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.263 -11.147 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.157 -9.296 -10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.831 -11.005 -10.668 1.00 0.00 H new ATOM 406 N VAL A 31 -9.877 -9.530 -8.464 1.00 0.00 N ATOM 407 CA VAL A 31 -8.480 -9.349 -8.839 1.00 0.00 C ATOM 408 C VAL A 31 -7.845 -10.672 -9.251 1.00 0.00 C ATOM 409 O VAL A 31 -8.474 -11.727 -9.168 1.00 0.00 O ATOM 410 CB VAL A 31 -7.663 -8.737 -7.685 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.099 -7.304 -7.423 1.00 0.00 C ATOM 412 CG2 VAL A 31 -7.802 -9.583 -6.428 1.00 0.00 C ATOM 0 H VAL A 31 -10.109 -9.195 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.467 -8.664 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.612 -8.724 -7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.511 -6.889 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.944 -6.706 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.155 -7.288 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.219 -9.137 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.851 -9.629 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.436 -10.591 -6.625 1.00 0.00 H new ATOM 422 N VAL A 32 -6.594 -10.609 -9.695 1.00 0.00 N ATOM 423 CA VAL A 32 -5.872 -11.803 -10.119 1.00 0.00 C ATOM 424 C VAL A 32 -5.673 -12.767 -8.954 1.00 0.00 C ATOM 425 O VAL A 32 -5.730 -12.371 -7.789 1.00 0.00 O ATOM 426 CB VAL A 32 -4.498 -11.446 -10.716 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.642 -10.375 -11.786 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.544 -10.992 -9.621 1.00 0.00 C ATOM 0 H VAL A 32 -6.059 -9.744 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.479 -12.284 -10.886 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.081 -12.338 -11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.661 -10.136 -12.196 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.289 -10.742 -12.583 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.080 -9.479 -11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.578 -10.744 -10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.953 -10.113 -9.123 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.417 -11.794 -8.894 1.00 0.00 H new ATOM 438 N LEU A 33 -5.439 -14.034 -9.276 1.00 0.00 N ATOM 439 CA LEU A 33 -5.230 -15.057 -8.257 1.00 0.00 C ATOM 440 C LEU A 33 -4.064 -14.687 -7.345 1.00 0.00 C ATOM 441 O LEU A 33 -4.180 -14.683 -6.120 1.00 0.00 O ATOM 442 CB LEU A 33 -4.969 -16.414 -8.913 1.00 0.00 C ATOM 443 CG LEU A 33 -5.566 -17.629 -8.202 1.00 0.00 C ATOM 444 CD1 LEU A 33 -5.138 -17.657 -6.743 1.00 0.00 C ATOM 445 CD2 LEU A 33 -7.083 -17.621 -8.315 1.00 0.00 C ATOM 0 H LEU A 33 -5.389 -14.378 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.134 -15.122 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.360 -16.385 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.891 -16.557 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.191 -18.530 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.572 -18.528 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.051 -17.712 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.483 -16.751 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.491 -18.493 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.477 -16.714 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.370 -17.650 -9.366 1.00 0.00 H new ATOM 457 N PRO A 34 -2.914 -14.367 -7.956 1.00 0.00 N ATOM 458 CA PRO A 34 -1.705 -13.988 -7.219 1.00 0.00 C ATOM 459 C PRO A 34 -1.840 -12.626 -6.547 1.00 0.00 C ATOM 460 O PRO A 34 -2.293 -12.528 -5.407 1.00 0.00 O ATOM 461 CB PRO A 34 -0.627 -13.943 -8.305 1.00 0.00 C ATOM 462 CG PRO A 34 -1.371 -13.674 -9.567 1.00 0.00 C ATOM 463 CD PRO A 34 -2.704 -14.352 -9.414 1.00 0.00 C ATOM 0 HA PRO A 34 -1.486 -14.685 -6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.106 -13.162 -8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.081 -14.885 -8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.494 -12.603 -9.727 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.831 -14.065 -10.429 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.494 -13.805 -9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.692 -15.360 -9.829 1.00 0.00 H new ATOM 471 N ALA A 35 -1.444 -11.577 -7.260 1.00 0.00 N ATOM 472 CA ALA A 35 -1.524 -10.220 -6.733 1.00 0.00 C ATOM 473 C ALA A 35 -1.425 -9.189 -7.852 1.00 0.00 C ATOM 474 O ALA A 35 -1.075 -9.521 -8.985 1.00 0.00 O ATOM 475 CB ALA A 35 -0.429 -9.989 -5.702 1.00 0.00 C ATOM 0 H ALA A 35 -1.064 -11.641 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.494 -10.101 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.501 -8.972 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.547 -10.697 -4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.546 -10.133 -6.168 1.00 0.00 H new ATOM 481 N ARG A 36 -1.736 -7.939 -7.528 1.00 0.00 N ATOM 482 CA ARG A 36 -1.684 -6.860 -8.507 1.00 0.00 C ATOM 483 C ARG A 36 -0.845 -5.696 -7.989 1.00 0.00 C ATOM 484 O ARG A 36 -0.448 -5.673 -6.824 1.00 0.00 O ATOM 485 CB ARG A 36 -3.097 -6.376 -8.840 1.00 0.00 C ATOM 486 CG ARG A 36 -3.737 -7.117 -10.002 1.00 0.00 C ATOM 487 CD ARG A 36 -3.419 -6.450 -11.331 1.00 0.00 C ATOM 488 NE ARG A 36 -4.416 -6.762 -12.352 1.00 0.00 N ATOM 489 CZ ARG A 36 -4.243 -6.518 -13.646 1.00 0.00 C ATOM 490 NH1 ARG A 36 -3.118 -5.963 -14.075 1.00 0.00 N ATOM 491 NH2 ARG A 36 -5.197 -6.830 -14.514 1.00 0.00 N ATOM 0 H ARG A 36 -2.027 -7.648 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.217 -7.247 -9.413 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.727 -6.488 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.062 -5.312 -9.074 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.383 -8.148 -10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.817 -7.153 -9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.368 -5.370 -11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.436 -6.774 -11.673 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.293 -7.191 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.382 -5.722 -13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.988 -5.777 -15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.064 -7.257 -14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.064 -6.642 -15.508 1.00 0.00 H new ATOM 505 N TYR A 37 -0.578 -4.731 -8.862 1.00 0.00 N ATOM 506 CA TYR A 37 0.216 -3.565 -8.495 1.00 0.00 C ATOM 507 C TYR A 37 -0.543 -2.274 -8.785 1.00 0.00 C ATOM 508 O TYR A 37 -1.327 -2.201 -9.732 1.00 0.00 O ATOM 509 CB TYR A 37 1.546 -3.569 -9.251 1.00 0.00 C ATOM 510 CG TYR A 37 1.389 -3.486 -10.752 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.242 -4.634 -11.520 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.386 -2.258 -11.403 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.099 -4.563 -12.892 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.242 -2.177 -12.775 1.00 0.00 C ATOM 515 CZ TYR A 37 1.099 -3.333 -13.515 1.00 0.00 C ATOM 516 OH TYR A 37 0.956 -3.257 -14.881 1.00 0.00 O ATOM 0 H TYR A 37 -0.900 -4.734 -9.830 1.00 0.00 H new ATOM 0 HA TYR A 37 0.414 -3.615 -7.424 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.151 -2.728 -8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.094 -4.478 -9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.239 -5.599 -11.036 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.498 -1.352 -10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.988 -5.466 -13.474 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.241 -1.215 -13.265 1.00 0.00 H new ATOM 0 HH TYR A 37 0.976 -2.318 -15.160 1.00 0.00 H new ATOM 526 N PHE A 38 -0.304 -1.257 -7.964 1.00 0.00 N ATOM 527 CA PHE A 38 -0.965 0.032 -8.131 1.00 0.00 C ATOM 528 C PHE A 38 0.056 1.164 -8.180 1.00 0.00 C ATOM 529 O PHE A 38 1.251 0.946 -7.979 1.00 0.00 O ATOM 530 CB PHE A 38 -1.956 0.272 -6.991 1.00 0.00 C ATOM 531 CG PHE A 38 -1.401 -0.056 -5.634 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.089 -1.363 -5.296 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.191 0.943 -4.697 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.577 -1.668 -4.049 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.679 0.644 -3.449 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.373 -0.663 -3.124 1.00 0.00 C ATOM 0 H PHE A 38 0.343 -1.300 -7.176 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.507 0.015 -9.076 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.267 1.317 -7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.849 -0.329 -7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.248 -2.153 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.430 1.967 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.337 -2.691 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.518 1.432 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.025 -0.899 -2.148 1.00 0.00 H new ATOM 546 N TYR A 39 -0.423 2.374 -8.448 1.00 0.00 N ATOM 547 CA TYR A 39 0.447 3.541 -8.526 1.00 0.00 C ATOM 548 C TYR A 39 0.140 4.526 -7.403 1.00 0.00 C ATOM 549 O TYR A 39 -1.018 4.719 -7.031 1.00 0.00 O ATOM 550 CB TYR A 39 0.290 4.231 -9.882 1.00 0.00 C ATOM 551 CG TYR A 39 0.117 3.268 -11.035 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.086 2.314 -11.321 1.00 0.00 C ATOM 553 CD2 TYR A 39 -1.016 3.311 -11.838 1.00 0.00 C ATOM 554 CE1 TYR A 39 0.933 1.433 -12.373 1.00 0.00 C ATOM 555 CE2 TYR A 39 -1.179 2.433 -12.892 1.00 0.00 C ATOM 556 CZ TYR A 39 -0.201 1.496 -13.156 1.00 0.00 C ATOM 557 OH TYR A 39 -0.359 0.619 -14.205 1.00 0.00 O ATOM 0 H TYR A 39 -1.410 2.572 -8.615 1.00 0.00 H new ATOM 0 HA TYR A 39 1.477 3.202 -8.415 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.572 4.897 -9.844 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.166 4.853 -10.067 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.975 2.261 -10.710 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.783 4.044 -11.635 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.697 0.699 -12.582 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.066 2.480 -13.506 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.212 0.796 -14.654 1.00 0.00 H new ATOM 567 N ILE A 40 1.185 5.148 -6.867 1.00 0.00 N ATOM 568 CA ILE A 40 1.027 6.115 -5.788 1.00 0.00 C ATOM 569 C ILE A 40 1.385 7.522 -6.254 1.00 0.00 C ATOM 570 O ILE A 40 2.560 7.861 -6.390 1.00 0.00 O ATOM 571 CB ILE A 40 1.902 5.751 -4.574 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.422 4.441 -3.946 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.881 6.875 -3.549 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.383 3.871 -2.926 1.00 0.00 C ATOM 0 H ILE A 40 2.150 4.999 -7.162 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.022 6.089 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 40 2.929 5.615 -4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.456 4.609 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.264 3.706 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.504 6.602 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.266 7.788 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.858 7.041 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.978 2.943 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.343 3.671 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.522 4.588 -2.117 1.00 0.00 H new ATOM 586 N GLN A 41 0.363 8.337 -6.495 1.00 0.00 N ATOM 587 CA GLN A 41 0.570 9.708 -6.945 1.00 0.00 C ATOM 588 C GLN A 41 0.502 10.682 -5.773 1.00 0.00 C ATOM 589 O GLN A 41 -0.458 10.675 -5.002 1.00 0.00 O ATOM 590 CB GLN A 41 -0.475 10.085 -7.997 1.00 0.00 C ATOM 591 CG GLN A 41 -0.475 11.563 -8.352 1.00 0.00 C ATOM 592 CD GLN A 41 0.567 11.913 -9.397 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.843 11.125 -10.302 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.151 13.099 -9.277 1.00 0.00 N ATOM 0 H GLN A 41 -0.616 8.072 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 41 1.563 9.771 -7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.295 9.503 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.464 9.808 -7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.462 11.844 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.292 12.149 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.891 13.720 -8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.860 13.389 -9.951 1.00 0.00 H new ATOM 603 N ALA A 42 1.527 11.518 -5.644 1.00 0.00 N ATOM 604 CA ALA A 42 1.582 12.498 -4.567 1.00 0.00 C ATOM 605 C ALA A 42 0.829 13.770 -4.942 1.00 0.00 C ATOM 606 O ALA A 42 0.690 14.096 -6.121 1.00 0.00 O ATOM 607 CB ALA A 42 3.028 12.822 -4.222 1.00 0.00 C ATOM 0 H ALA A 42 2.330 11.536 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 42 1.098 12.065 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.054 13.555 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.538 11.913 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.529 13.230 -5.100 1.00 0.00 H new ATOM 613 N VAL A 43 0.342 14.484 -3.932 1.00 0.00 N ATOM 614 CA VAL A 43 -0.397 15.720 -4.157 1.00 0.00 C ATOM 615 C VAL A 43 -0.105 16.741 -3.063 1.00 0.00 C ATOM 616 O VAL A 43 0.149 16.380 -1.914 1.00 0.00 O ATOM 617 CB VAL A 43 -1.915 15.464 -4.213 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.672 16.774 -4.366 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.252 14.508 -5.347 1.00 0.00 C ATOM 0 H VAL A 43 0.446 14.227 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.067 16.116 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.223 15.002 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.743 16.573 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.454 17.422 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.363 17.267 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.328 14.338 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.931 14.940 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.739 13.560 -5.188 1.00 0.00 H new ATOM 629 N ASP A 44 -0.144 18.018 -3.428 1.00 0.00 N ATOM 630 CA ASP A 44 0.115 19.093 -2.477 1.00 0.00 C ATOM 631 C ASP A 44 -1.089 19.316 -1.567 1.00 0.00 C ATOM 632 O ASP A 44 -2.084 18.594 -1.647 1.00 0.00 O ATOM 633 CB ASP A 44 0.456 20.387 -3.218 1.00 0.00 C ATOM 634 CG ASP A 44 1.393 21.278 -2.426 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.448 20.782 -1.980 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.070 22.472 -2.251 1.00 0.00 O ATOM 0 H ASP A 44 -0.352 18.334 -4.375 1.00 0.00 H new ATOM 0 HA ASP A 44 0.965 18.802 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.914 20.143 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.463 20.932 -3.434 1.00 0.00 H new ATOM 641 N THR A 45 -0.992 20.319 -0.700 1.00 0.00 N ATOM 642 CA THR A 45 -2.072 20.635 0.226 1.00 0.00 C ATOM 643 C THR A 45 -3.287 21.184 -0.512 1.00 0.00 C ATOM 644 O THR A 45 -4.404 21.159 0.006 1.00 0.00 O ATOM 645 CB THR A 45 -1.622 21.660 1.284 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.484 22.954 0.686 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.301 21.244 1.914 1.00 0.00 C ATOM 0 H THR A 45 -0.176 20.926 -0.620 1.00 0.00 H new ATOM 0 HA THR A 45 -2.344 19.704 0.724 1.00 0.00 H new ATOM 0 HB THR A 45 -2.382 21.700 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.199 23.600 1.366 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.004 21.983 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.417 20.272 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.465 21.178 1.142 1.00 0.00 H new ATOM 655 N SER A 46 -3.063 21.680 -1.725 1.00 0.00 N ATOM 656 CA SER A 46 -4.140 22.238 -2.534 1.00 0.00 C ATOM 657 C SER A 46 -4.637 21.219 -3.555 1.00 0.00 C ATOM 658 O SER A 46 -5.823 20.894 -3.599 1.00 0.00 O ATOM 659 CB SER A 46 -3.666 23.504 -3.249 1.00 0.00 C ATOM 660 OG SER A 46 -3.274 24.499 -2.319 1.00 0.00 O ATOM 0 H SER A 46 -2.145 21.707 -2.169 1.00 0.00 H new ATOM 0 HA SER A 46 -4.966 22.492 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.828 23.264 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.465 23.889 -3.882 1.00 0.00 H new ATOM 0 HG SER A 46 -2.974 25.297 -2.801 1.00 0.00 H new ATOM 666 N GLY A 47 -3.719 20.718 -4.377 1.00 0.00 N ATOM 667 CA GLY A 47 -4.082 19.742 -5.387 1.00 0.00 C ATOM 668 C GLY A 47 -3.238 19.864 -6.641 1.00 0.00 C ATOM 669 O GLY A 47 -3.754 19.779 -7.754 1.00 0.00 O ATOM 0 H GLY A 47 -2.731 20.971 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.972 18.739 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.133 19.866 -5.647 1.00 0.00 H new ATOM 673 N ASN A 48 -1.937 20.066 -6.459 1.00 0.00 N ATOM 674 CA ASN A 48 -1.021 20.203 -7.586 1.00 0.00 C ATOM 675 C ASN A 48 -0.107 18.986 -7.694 1.00 0.00 C ATOM 676 O ASN A 48 0.821 18.820 -6.903 1.00 0.00 O ATOM 677 CB ASN A 48 -0.181 21.473 -7.435 1.00 0.00 C ATOM 678 CG ASN A 48 -0.981 22.632 -6.872 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.908 23.129 -7.511 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.625 23.067 -5.669 1.00 0.00 N ATOM 0 H ASN A 48 -1.494 20.138 -5.543 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.614 20.273 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.667 21.269 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.226 21.754 -8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.127 23.844 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.150 22.625 -5.176 1.00 0.00 H new ATOM 687 N LYS A 49 -0.377 18.137 -8.681 1.00 0.00 N ATOM 688 CA LYS A 49 0.421 16.936 -8.896 1.00 0.00 C ATOM 689 C LYS A 49 1.909 17.236 -8.745 1.00 0.00 C ATOM 690 O LYS A 49 2.413 18.218 -9.291 1.00 0.00 O ATOM 691 CB LYS A 49 0.145 16.358 -10.286 1.00 0.00 C ATOM 692 CG LYS A 49 -1.043 15.412 -10.326 1.00 0.00 C ATOM 693 CD LYS A 49 -1.403 15.030 -11.752 1.00 0.00 C ATOM 694 CE LYS A 49 -0.470 13.959 -12.295 1.00 0.00 C ATOM 695 NZ LYS A 49 -0.617 13.789 -13.767 1.00 0.00 N ATOM 0 H LYS A 49 -1.142 18.259 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 49 0.138 16.203 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.030 17.178 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.032 15.829 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.813 14.513 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.901 15.883 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.431 14.669 -11.784 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.355 15.913 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.561 14.223 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.677 13.011 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.036 13.050 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.595 13.512 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.395 14.686 -14.244 1.00 0.00 H new ATOM 709 N PHE A 50 2.608 16.384 -8.002 1.00 0.00 N ATOM 710 CA PHE A 50 4.038 16.559 -7.781 1.00 0.00 C ATOM 711 C PHE A 50 4.840 16.059 -8.979 1.00 0.00 C ATOM 712 O PHE A 50 5.755 16.732 -9.454 1.00 0.00 O ATOM 713 CB PHE A 50 4.474 15.816 -6.516 1.00 0.00 C ATOM 714 CG PHE A 50 4.393 16.653 -5.271 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.223 16.704 -4.530 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.486 17.389 -4.843 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.145 17.473 -3.384 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.413 18.159 -3.697 1.00 0.00 C ATOM 719 CZ PHE A 50 4.241 18.202 -2.968 1.00 0.00 C ATOM 0 H PHE A 50 2.207 15.566 -7.543 1.00 0.00 H new ATOM 0 HA PHE A 50 4.233 17.624 -7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.850 14.931 -6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.499 15.468 -6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.362 16.136 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.405 17.361 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.228 17.503 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.272 18.727 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.182 18.805 -2.074 1.00 0.00 H new ATOM 729 N THR A 51 4.489 14.871 -9.464 1.00 0.00 N ATOM 730 CA THR A 51 5.175 14.279 -10.605 1.00 0.00 C ATOM 731 C THR A 51 6.688 14.389 -10.455 1.00 0.00 C ATOM 732 O THR A 51 7.417 14.444 -11.445 1.00 0.00 O ATOM 733 CB THR A 51 4.752 14.949 -11.925 1.00 0.00 C ATOM 734 OG1 THR A 51 4.965 16.363 -11.847 1.00 0.00 O ATOM 735 CG2 THR A 51 3.288 14.669 -12.230 1.00 0.00 C ATOM 0 H THR A 51 3.734 14.301 -9.084 1.00 0.00 H new ATOM 0 HA THR A 51 4.891 13.227 -10.633 1.00 0.00 H new ATOM 0 HB THR A 51 5.360 14.533 -12.728 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.583 16.561 -11.112 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.013 15.153 -13.167 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.134 13.594 -12.318 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.667 15.060 -11.424 1.00 0.00 H new ATOM 743 N SER A 52 7.154 14.419 -9.210 1.00 0.00 N ATOM 744 CA SER A 52 8.581 14.526 -8.931 1.00 0.00 C ATOM 745 C SER A 52 9.034 13.415 -7.988 1.00 0.00 C ATOM 746 O SER A 52 8.222 12.628 -7.503 1.00 0.00 O ATOM 747 CB SER A 52 8.902 15.891 -8.319 1.00 0.00 C ATOM 748 OG SER A 52 10.285 16.184 -8.422 1.00 0.00 O ATOM 0 H SER A 52 6.564 14.371 -8.379 1.00 0.00 H new ATOM 0 HA SER A 52 9.119 14.423 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.325 16.665 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.602 15.903 -7.271 1.00 0.00 H new ATOM 0 HG SER A 52 10.464 17.062 -8.025 1.00 0.00 H new ATOM 754 N SER A 53 10.338 13.359 -7.734 1.00 0.00 N ATOM 755 CA SER A 53 10.902 12.342 -6.854 1.00 0.00 C ATOM 756 C SER A 53 11.070 12.884 -5.437 1.00 0.00 C ATOM 757 O SER A 53 11.912 13.740 -5.168 1.00 0.00 O ATOM 758 CB SER A 53 12.251 11.862 -7.392 1.00 0.00 C ATOM 759 OG SER A 53 13.180 12.930 -7.464 1.00 0.00 O ATOM 0 H SER A 53 11.023 14.006 -8.125 1.00 0.00 H new ATOM 0 HA SER A 53 10.211 11.499 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.645 11.076 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.117 11.425 -8.382 1.00 0.00 H new ATOM 0 HG SER A 53 13.038 13.538 -6.709 1.00 0.00 H new ATOM 765 N PRO A 54 10.248 12.373 -4.508 1.00 0.00 N ATOM 766 CA PRO A 54 10.286 12.789 -3.103 1.00 0.00 C ATOM 767 C PRO A 54 11.547 12.312 -2.391 1.00 0.00 C ATOM 768 O PRO A 54 12.131 13.039 -1.588 1.00 0.00 O ATOM 769 CB PRO A 54 9.047 12.120 -2.502 1.00 0.00 C ATOM 770 CG PRO A 54 8.792 10.941 -3.375 1.00 0.00 C ATOM 771 CD PRO A 54 9.220 11.349 -4.758 1.00 0.00 C ATOM 0 HA PRO A 54 10.295 13.874 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.222 11.818 -1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.195 12.799 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.355 10.073 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.738 10.664 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.621 10.505 -5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.386 11.749 -5.335 1.00 0.00 H new ATOM 779 N GLY A 55 11.963 11.086 -2.691 1.00 0.00 N ATOM 780 CA GLY A 55 13.153 10.534 -2.070 1.00 0.00 C ATOM 781 C GLY A 55 13.241 9.028 -2.223 1.00 0.00 C ATOM 782 O GLY A 55 12.354 8.404 -2.805 1.00 0.00 O ATOM 0 H GLY A 55 11.498 10.465 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.037 10.993 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.158 10.789 -1.010 1.00 0.00 H new ATOM 786 N GLU A 56 14.315 8.443 -1.700 1.00 0.00 N ATOM 787 CA GLU A 56 14.515 7.002 -1.783 1.00 0.00 C ATOM 788 C GLU A 56 13.217 6.254 -1.494 1.00 0.00 C ATOM 789 O GLU A 56 12.631 5.636 -2.383 1.00 0.00 O ATOM 790 CB GLU A 56 15.602 6.558 -0.802 1.00 0.00 C ATOM 791 CG GLU A 56 17.001 6.574 -1.396 1.00 0.00 C ATOM 792 CD GLU A 56 17.699 7.907 -1.210 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.981 8.273 -0.050 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.963 8.584 -2.226 1.00 0.00 O ATOM 0 H GLU A 56 15.059 8.945 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 56 14.832 6.764 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.580 7.210 0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.376 5.550 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.597 5.788 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.943 6.344 -2.460 1.00 0.00 H new ATOM 801 N LYS A 57 12.774 6.314 -0.243 1.00 0.00 N ATOM 802 CA LYS A 57 11.545 5.644 0.167 1.00 0.00 C ATOM 803 C LYS A 57 10.757 6.505 1.149 1.00 0.00 C ATOM 804 O LYS A 57 11.173 6.700 2.291 1.00 0.00 O ATOM 805 CB LYS A 57 11.866 4.290 0.803 1.00 0.00 C ATOM 806 CG LYS A 57 12.810 3.436 -0.026 1.00 0.00 C ATOM 807 CD LYS A 57 12.126 2.895 -1.270 1.00 0.00 C ATOM 808 CE LYS A 57 13.136 2.360 -2.273 1.00 0.00 C ATOM 809 NZ LYS A 57 13.566 0.973 -1.941 1.00 0.00 N ATOM 0 H LYS A 57 13.248 6.820 0.505 1.00 0.00 H new ATOM 0 HA LYS A 57 10.934 5.486 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.308 4.455 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.937 3.742 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.678 4.028 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.177 2.606 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.434 2.101 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.534 3.684 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.699 2.376 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.007 3.015 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.254 0.644 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.006 0.962 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.739 0.343 -1.944 1.00 0.00 H new ATOM 823 N VAL A 58 9.617 7.017 0.697 1.00 0.00 N ATOM 824 CA VAL A 58 8.769 7.856 1.537 1.00 0.00 C ATOM 825 C VAL A 58 7.402 7.215 1.750 1.00 0.00 C ATOM 826 O VAL A 58 6.758 7.429 2.778 1.00 0.00 O ATOM 827 CB VAL A 58 8.578 9.255 0.922 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.923 9.935 0.714 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.811 9.161 -0.388 1.00 0.00 C ATOM 0 H VAL A 58 9.259 6.866 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 58 9.274 7.956 2.498 1.00 0.00 H new ATOM 0 HB VAL A 58 7.995 9.861 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.768 10.922 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.431 10.037 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.535 9.334 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.685 10.159 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.365 8.539 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.832 8.718 -0.205 1.00 0.00 H new ATOM 839 N PHE A 59 6.965 6.428 0.773 1.00 0.00 N ATOM 840 CA PHE A 59 5.673 5.756 0.854 1.00 0.00 C ATOM 841 C PHE A 59 5.851 4.266 1.129 1.00 0.00 C ATOM 842 O PHE A 59 6.446 3.544 0.330 1.00 0.00 O ATOM 843 CB PHE A 59 4.889 5.956 -0.445 1.00 0.00 C ATOM 844 CG PHE A 59 4.362 7.352 -0.619 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.255 7.783 0.094 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.975 8.233 -1.496 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.768 9.067 -0.064 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.493 9.518 -1.657 1.00 0.00 C ATOM 849 CZ PHE A 59 3.388 9.935 -0.941 1.00 0.00 C ATOM 0 H PHE A 59 7.486 6.240 -0.084 1.00 0.00 H new ATOM 0 HA PHE A 59 5.114 6.195 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.533 5.711 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.054 5.256 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.767 7.108 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.839 7.912 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.904 9.391 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.980 10.196 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.009 10.939 -1.067 1.00 0.00 H new ATOM 859 N GLN A 60 5.332 3.815 2.267 1.00 0.00 N ATOM 860 CA GLN A 60 5.435 2.411 2.649 1.00 0.00 C ATOM 861 C GLN A 60 4.067 1.738 2.623 1.00 0.00 C ATOM 862 O GLN A 60 3.051 2.362 2.932 1.00 0.00 O ATOM 863 CB GLN A 60 6.053 2.284 4.042 1.00 0.00 C ATOM 864 CG GLN A 60 6.146 0.850 4.538 1.00 0.00 C ATOM 865 CD GLN A 60 7.382 0.135 4.029 1.00 0.00 C ATOM 866 OE1 GLN A 60 8.221 0.729 3.350 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.501 -1.147 4.354 1.00 0.00 N ATOM 0 H GLN A 60 4.837 4.400 2.940 1.00 0.00 H new ATOM 0 HA GLN A 60 6.079 1.910 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.052 2.720 4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.460 2.866 4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.152 0.846 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.258 0.302 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.782 -1.599 4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.312 -1.680 4.039 1.00 0.00 H new ATOM 876 N VAL A 61 4.047 0.462 2.253 1.00 0.00 N ATOM 877 CA VAL A 61 2.804 -0.296 2.188 1.00 0.00 C ATOM 878 C VAL A 61 2.865 -1.531 3.080 1.00 0.00 C ATOM 879 O VAL A 61 3.933 -2.106 3.291 1.00 0.00 O ATOM 880 CB VAL A 61 2.489 -0.735 0.745 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.164 -1.480 0.691 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.471 0.469 -0.185 1.00 0.00 C ATOM 0 H VAL A 61 4.878 -0.069 1.993 1.00 0.00 H new ATOM 0 HA VAL A 61 2.012 0.365 2.541 1.00 0.00 H new ATOM 0 HB VAL A 61 3.274 -1.413 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.958 -1.782 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.218 -2.364 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.365 -0.828 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.247 0.141 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.707 1.173 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.446 0.957 -0.168 1.00 0.00 H new ATOM 892 N LYS A 62 1.712 -1.934 3.602 1.00 0.00 N ATOM 893 CA LYS A 62 1.633 -3.102 4.472 1.00 0.00 C ATOM 894 C LYS A 62 0.494 -4.023 4.043 1.00 0.00 C ATOM 895 O LYS A 62 -0.548 -3.562 3.576 1.00 0.00 O ATOM 896 CB LYS A 62 1.432 -2.669 5.926 1.00 0.00 C ATOM 897 CG LYS A 62 1.259 -3.831 6.888 1.00 0.00 C ATOM 898 CD LYS A 62 2.599 -4.416 7.303 1.00 0.00 C ATOM 899 CE LYS A 62 3.299 -3.536 8.327 1.00 0.00 C ATOM 900 NZ LYS A 62 4.653 -4.052 8.669 1.00 0.00 N ATOM 0 H LYS A 62 0.819 -1.469 3.438 1.00 0.00 H new ATOM 0 HA LYS A 62 2.572 -3.650 4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.288 -2.072 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.555 -2.024 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.718 -3.495 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.652 -4.606 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.449 -5.412 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.235 -4.530 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.385 -2.522 7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.693 -3.479 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.097 -3.425 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.570 -5.010 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.240 -4.083 7.811 1.00 0.00 H new ATOM 914 N VAL A 63 0.699 -5.326 4.207 1.00 0.00 N ATOM 915 CA VAL A 63 -0.311 -6.311 3.840 1.00 0.00 C ATOM 916 C VAL A 63 -0.584 -7.274 4.990 1.00 0.00 C ATOM 917 O VAL A 63 0.343 -7.777 5.624 1.00 0.00 O ATOM 918 CB VAL A 63 0.117 -7.118 2.599 1.00 0.00 C ATOM 919 CG1 VAL A 63 -0.856 -8.259 2.343 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.220 -6.210 1.383 1.00 0.00 C ATOM 0 H VAL A 63 1.556 -5.724 4.592 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.222 -5.759 3.609 1.00 0.00 H new ATOM 0 HB VAL A 63 1.101 -7.547 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.538 -8.818 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.874 -8.923 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.854 -7.855 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.523 -6.796 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.749 -5.750 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.960 -5.432 1.572 1.00 0.00 H new ATOM 930 N SER A 64 -1.862 -7.526 5.253 1.00 0.00 N ATOM 931 CA SER A 64 -2.258 -8.426 6.329 1.00 0.00 C ATOM 932 C SER A 64 -3.670 -8.956 6.103 1.00 0.00 C ATOM 933 O SER A 64 -4.488 -8.314 5.444 1.00 0.00 O ATOM 934 CB SER A 64 -2.180 -7.708 7.678 1.00 0.00 C ATOM 935 OG SER A 64 -0.878 -7.200 7.912 1.00 0.00 O ATOM 0 H SER A 64 -2.641 -7.119 4.735 1.00 0.00 H new ATOM 0 HA SER A 64 -1.569 -9.270 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.902 -6.891 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.453 -8.398 8.477 1.00 0.00 H new ATOM 0 HG SER A 64 -0.237 -7.666 7.336 1.00 0.00 H new ATOM 941 N ALA A 65 -3.950 -10.133 6.654 1.00 0.00 N ATOM 942 CA ALA A 65 -5.263 -10.749 6.515 1.00 0.00 C ATOM 943 C ALA A 65 -6.010 -10.758 7.844 1.00 0.00 C ATOM 944 O ALA A 65 -5.427 -10.962 8.910 1.00 0.00 O ATOM 945 CB ALA A 65 -5.127 -12.165 5.974 1.00 0.00 C ATOM 0 H ALA A 65 -3.284 -10.679 7.201 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.842 -10.155 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.116 -12.613 5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.642 -12.137 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.526 -12.761 6.661 1.00 0.00 H new ATOM 951 N PRO A 66 -7.330 -10.531 7.784 1.00 0.00 N ATOM 952 CA PRO A 66 -8.184 -10.507 8.975 1.00 0.00 C ATOM 953 C PRO A 66 -8.351 -11.890 9.596 1.00 0.00 C ATOM 954 O PRO A 66 -8.719 -12.015 10.764 1.00 0.00 O ATOM 955 CB PRO A 66 -9.524 -9.996 8.441 1.00 0.00 C ATOM 956 CG PRO A 66 -9.524 -10.367 6.998 1.00 0.00 C ATOM 957 CD PRO A 66 -8.091 -10.280 6.549 1.00 0.00 C ATOM 0 HA PRO A 66 -7.762 -9.888 9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.361 -10.455 8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.617 -8.918 8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.918 -11.373 6.854 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.156 -9.691 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.865 -11.019 5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.861 -9.302 6.127 1.00 0.00 H new ATOM 965 N GLU A 67 -8.078 -12.925 8.808 1.00 0.00 N ATOM 966 CA GLU A 67 -8.199 -14.298 9.282 1.00 0.00 C ATOM 967 C GLU A 67 -6.896 -14.770 9.920 1.00 0.00 C ATOM 968 O GLU A 67 -6.871 -15.164 11.086 1.00 0.00 O ATOM 969 CB GLU A 67 -8.580 -15.228 8.128 1.00 0.00 C ATOM 970 CG GLU A 67 -9.874 -14.837 7.434 1.00 0.00 C ATOM 971 CD GLU A 67 -10.552 -16.014 6.758 1.00 0.00 C ATOM 972 OE1 GLU A 67 -10.102 -16.408 5.662 1.00 0.00 O ATOM 973 OE2 GLU A 67 -11.532 -16.540 7.325 1.00 0.00 O ATOM 0 H GLU A 67 -7.772 -12.839 7.839 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.985 -14.326 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.772 -15.235 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.674 -16.245 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.556 -14.400 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.665 -14.067 6.691 1.00 0.00 H new ATOM 980 N GLU A 68 -5.815 -14.728 9.147 1.00 0.00 N ATOM 981 CA GLU A 68 -4.509 -15.152 9.637 1.00 0.00 C ATOM 982 C GLU A 68 -3.987 -14.189 10.700 1.00 0.00 C ATOM 983 O GLU A 68 -4.026 -12.972 10.521 1.00 0.00 O ATOM 984 CB GLU A 68 -3.511 -15.242 8.481 1.00 0.00 C ATOM 985 CG GLU A 68 -3.818 -16.360 7.497 1.00 0.00 C ATOM 986 CD GLU A 68 -3.093 -16.190 6.176 1.00 0.00 C ATOM 987 OE1 GLU A 68 -1.865 -16.411 6.140 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.755 -15.835 5.178 1.00 0.00 O ATOM 0 H GLU A 68 -5.818 -14.405 8.180 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.622 -16.138 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.500 -14.292 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.510 -15.391 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.539 -17.316 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.892 -16.395 7.316 1.00 0.00 H new ATOM 995 N GLN A 69 -3.500 -14.745 11.805 1.00 0.00 N ATOM 996 CA GLN A 69 -2.972 -13.935 12.897 1.00 0.00 C ATOM 997 C GLN A 69 -1.686 -13.230 12.479 1.00 0.00 C ATOM 998 O GLN A 69 -1.350 -12.168 13.003 1.00 0.00 O ATOM 999 CB GLN A 69 -2.713 -14.807 14.126 1.00 0.00 C ATOM 1000 CG GLN A 69 -1.872 -16.039 13.833 1.00 0.00 C ATOM 1001 CD GLN A 69 -1.529 -16.823 15.084 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -0.394 -16.788 15.561 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -2.510 -17.537 15.623 1.00 0.00 N ATOM 0 H GLN A 69 -3.460 -15.751 11.968 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.715 -13.178 13.147 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.212 -14.208 14.887 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.669 -15.121 14.546 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.411 -16.685 13.140 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.951 -15.735 13.335 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.436 -17.537 15.194 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.338 -18.085 16.466 1.00 0.00 H new ATOM 1012 N PHE A 70 -0.970 -13.828 11.532 1.00 0.00 N ATOM 1013 CA PHE A 70 0.280 -13.258 11.045 1.00 0.00 C ATOM 1014 C PHE A 70 0.542 -13.674 9.600 1.00 0.00 C ATOM 1015 O PHE A 70 0.669 -14.861 9.297 1.00 0.00 O ATOM 1016 CB PHE A 70 1.446 -13.697 11.933 1.00 0.00 C ATOM 1017 CG PHE A 70 1.606 -12.859 13.170 1.00 0.00 C ATOM 1018 CD1 PHE A 70 2.272 -11.645 13.119 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.091 -13.287 14.383 1.00 0.00 C ATOM 1020 CE1 PHE A 70 2.420 -10.872 14.255 1.00 0.00 C ATOM 1021 CE2 PHE A 70 1.237 -12.517 15.522 1.00 0.00 C ATOM 1022 CZ PHE A 70 1.903 -11.309 15.458 1.00 0.00 C ATOM 0 H PHE A 70 -1.234 -14.707 11.087 1.00 0.00 H new ATOM 0 HA PHE A 70 0.193 -12.172 11.082 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.299 -14.737 12.225 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.369 -13.656 11.354 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.680 -11.299 12.181 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.570 -14.232 14.439 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.940 -9.927 14.202 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.830 -12.860 16.462 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.019 -10.707 16.347 1.00 0.00 H new ATOM 1032 N THR A 71 0.620 -12.689 8.711 1.00 0.00 N ATOM 1033 CA THR A 71 0.864 -12.952 7.299 1.00 0.00 C ATOM 1034 C THR A 71 2.171 -12.315 6.839 1.00 0.00 C ATOM 1035 O THR A 71 2.258 -11.097 6.685 1.00 0.00 O ATOM 1036 CB THR A 71 -0.287 -12.425 6.422 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.510 -13.080 6.774 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.009 -12.650 4.947 1.00 0.00 C ATOM 0 H THR A 71 0.518 -11.701 8.944 1.00 0.00 H new ATOM 0 HA THR A 71 0.931 -14.034 7.186 1.00 0.00 H new ATOM 0 HB THR A 71 -0.386 -11.354 6.596 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.237 -12.738 6.213 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.818 -12.270 4.348 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.925 -12.125 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.133 -13.717 4.759 1.00 0.00 H new ATOM 1046 N ARG A 72 3.184 -13.147 6.619 1.00 0.00 N ATOM 1047 CA ARG A 72 4.487 -12.664 6.177 1.00 0.00 C ATOM 1048 C ARG A 72 4.503 -12.451 4.666 1.00 0.00 C ATOM 1049 O ARG A 72 4.424 -13.405 3.893 1.00 0.00 O ATOM 1050 CB ARG A 72 5.583 -13.654 6.574 1.00 0.00 C ATOM 1051 CG ARG A 72 6.137 -13.421 7.970 1.00 0.00 C ATOM 1052 CD ARG A 72 7.279 -12.416 7.956 1.00 0.00 C ATOM 1053 NE ARG A 72 6.798 -11.041 8.057 1.00 0.00 N ATOM 1054 CZ ARG A 72 6.228 -10.540 9.147 1.00 0.00 C ATOM 1055 NH1 ARG A 72 6.068 -11.298 10.223 1.00 0.00 N ATOM 1056 NH2 ARG A 72 5.817 -9.278 9.162 1.00 0.00 N ATOM 0 H ARG A 72 3.128 -14.158 6.740 1.00 0.00 H new ATOM 0 HA ARG A 72 4.677 -11.708 6.664 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.185 -14.667 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.398 -13.589 5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.342 -13.061 8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.487 -14.366 8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.956 -12.625 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.854 -12.533 7.037 1.00 0.00 H new ATOM 0 HE ARG A 72 6.906 -10.432 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.383 -12.268 10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.630 -10.911 11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.939 -8.692 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.379 -8.894 10.000 1.00 0.00 H new ATOM 1070 N VAL A 73 4.606 -11.192 4.253 1.00 0.00 N ATOM 1071 CA VAL A 73 4.633 -10.852 2.835 1.00 0.00 C ATOM 1072 C VAL A 73 5.827 -9.963 2.505 1.00 0.00 C ATOM 1073 O VAL A 73 6.184 -9.075 3.278 1.00 0.00 O ATOM 1074 CB VAL A 73 3.339 -10.136 2.404 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.340 -9.888 0.904 1.00 0.00 C ATOM 1076 CG2 VAL A 73 2.119 -10.946 2.818 1.00 0.00 C ATOM 0 H VAL A 73 4.672 -10.390 4.880 1.00 0.00 H new ATOM 0 HA VAL A 73 4.720 -11.790 2.287 1.00 0.00 H new ATOM 0 HB VAL A 73 3.294 -9.170 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.418 -9.381 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.194 -9.264 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.409 -10.840 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.214 -10.426 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.156 -11.927 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.113 -11.067 3.901 1.00 0.00 H new ATOM 1086 N GLY A 74 6.440 -10.208 1.351 1.00 0.00 N ATOM 1087 CA GLY A 74 7.587 -9.421 0.939 1.00 0.00 C ATOM 1088 C GLY A 74 7.210 -8.295 -0.003 1.00 0.00 C ATOM 1089 O GLY A 74 7.399 -8.400 -1.215 1.00 0.00 O ATOM 0 H GLY A 74 6.163 -10.937 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.074 -9.005 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.313 -10.071 0.451 1.00 0.00 H new ATOM 1093 N VAL A 75 6.672 -7.215 0.554 1.00 0.00 N ATOM 1094 CA VAL A 75 6.266 -6.064 -0.244 1.00 0.00 C ATOM 1095 C VAL A 75 7.465 -5.195 -0.605 1.00 0.00 C ATOM 1096 O VAL A 75 8.377 -5.014 0.201 1.00 0.00 O ATOM 1097 CB VAL A 75 5.227 -5.204 0.499 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.934 -3.929 -0.279 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.951 -5.997 0.738 1.00 0.00 C ATOM 0 H VAL A 75 6.507 -7.113 1.555 1.00 0.00 H new ATOM 0 HA VAL A 75 5.817 -6.455 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 75 5.640 -4.924 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.198 -3.334 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.852 -3.353 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.542 -4.185 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.228 -5.373 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.532 -6.310 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.177 -6.877 1.340 1.00 0.00 H new ATOM 1109 N GLN A 76 7.456 -4.660 -1.822 1.00 0.00 N ATOM 1110 CA GLN A 76 8.544 -3.810 -2.290 1.00 0.00 C ATOM 1111 C GLN A 76 8.004 -2.610 -3.062 1.00 0.00 C ATOM 1112 O GLN A 76 7.219 -2.764 -3.998 1.00 0.00 O ATOM 1113 CB GLN A 76 9.502 -4.611 -3.174 1.00 0.00 C ATOM 1114 CG GLN A 76 10.751 -3.841 -3.571 1.00 0.00 C ATOM 1115 CD GLN A 76 11.801 -3.827 -2.478 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.911 -4.772 -1.696 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.580 -2.753 -2.417 1.00 0.00 N ATOM 0 H GLN A 76 6.708 -4.800 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 76 9.086 -3.444 -1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.797 -5.518 -2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.976 -4.923 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.176 -4.285 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.477 -2.816 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.454 -1.993 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.304 -2.688 -1.702 1.00 0.00 H new ATOM 1126 N VAL A 77 8.429 -1.416 -2.663 1.00 0.00 N ATOM 1127 CA VAL A 77 7.989 -0.190 -3.318 1.00 0.00 C ATOM 1128 C VAL A 77 9.085 0.381 -4.211 1.00 0.00 C ATOM 1129 O VAL A 77 10.053 0.968 -3.726 1.00 0.00 O ATOM 1130 CB VAL A 77 7.573 0.878 -2.289 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.141 0.650 -1.831 1.00 0.00 C ATOM 1132 CG2 VAL A 77 8.527 0.875 -1.103 1.00 0.00 C ATOM 0 H VAL A 77 9.078 -1.271 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 77 7.125 -0.451 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 77 7.625 1.857 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.865 1.414 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.471 0.707 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.059 -0.335 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.218 1.636 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.509 -0.104 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.538 1.091 -1.449 1.00 0.00 H new ATOM 1142 N LEU A 78 8.927 0.205 -5.518 1.00 0.00 N ATOM 1143 CA LEU A 78 9.903 0.702 -6.481 1.00 0.00 C ATOM 1144 C LEU A 78 9.325 1.855 -7.296 1.00 0.00 C ATOM 1145 O LEU A 78 8.141 1.858 -7.632 1.00 0.00 O ATOM 1146 CB LEU A 78 10.348 -0.425 -7.415 1.00 0.00 C ATOM 1147 CG LEU A 78 11.737 -0.273 -8.035 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.344 -1.637 -8.325 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.665 0.561 -9.306 1.00 0.00 C ATOM 0 H LEU A 78 8.132 -0.278 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 78 10.767 1.069 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.321 -1.362 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.619 -0.511 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 78 12.378 0.243 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.333 -1.509 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.431 -2.201 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.704 -2.180 -9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.663 0.659 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.008 0.072 -10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.273 1.550 -9.070 1.00 0.00 H new ATOM 1161 N ASP A 79 10.169 2.831 -7.612 1.00 0.00 N ATOM 1162 CA ASP A 79 9.743 3.988 -8.391 1.00 0.00 C ATOM 1163 C ASP A 79 9.841 3.702 -9.886 1.00 0.00 C ATOM 1164 O ASP A 79 10.907 3.349 -10.392 1.00 0.00 O ATOM 1165 CB ASP A 79 10.593 5.209 -8.036 1.00 0.00 C ATOM 1166 CG ASP A 79 12.036 5.058 -8.476 1.00 0.00 C ATOM 1167 OD1 ASP A 79 12.517 3.908 -8.547 1.00 0.00 O ATOM 1168 OD2 ASP A 79 12.684 6.091 -8.748 1.00 0.00 O ATOM 0 H ASP A 79 11.152 2.844 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 79 8.701 4.196 -8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.164 6.095 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.560 5.370 -6.959 1.00 0.00 H new ATOM 1173 N ARG A 80 8.723 3.856 -10.587 1.00 0.00 N ATOM 1174 CA ARG A 80 8.682 3.612 -12.024 1.00 0.00 C ATOM 1175 C ARG A 80 8.541 4.922 -12.794 1.00 0.00 C ATOM 1176 O ARG A 80 9.390 5.266 -13.616 1.00 0.00 O ATOM 1177 CB ARG A 80 7.523 2.676 -12.372 1.00 0.00 C ATOM 1178 CG ARG A 80 7.751 1.237 -11.936 1.00 0.00 C ATOM 1179 CD ARG A 80 7.022 0.259 -12.844 1.00 0.00 C ATOM 1180 NE ARG A 80 7.700 0.092 -14.126 1.00 0.00 N ATOM 1181 CZ ARG A 80 7.151 -0.509 -15.176 1.00 0.00 C ATOM 1182 NH1 ARG A 80 5.921 -0.998 -15.095 1.00 0.00 N ATOM 1183 NH2 ARG A 80 7.832 -0.622 -16.309 1.00 0.00 N ATOM 0 H ARG A 80 7.833 4.149 -10.183 1.00 0.00 H new ATOM 0 HA ARG A 80 9.621 3.139 -12.313 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.612 3.049 -11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.359 2.699 -13.449 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.819 1.017 -11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.408 1.108 -10.910 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.944 -0.708 -12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.005 0.612 -13.015 1.00 0.00 H new ATOM 0 HE ARG A 80 8.648 0.457 -14.221 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.395 -0.913 -14.225 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.501 -1.459 -15.902 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.778 -0.247 -16.375 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.409 -1.084 -17.114 1.00 0.00 H new ATOM 1197 N LYS A 81 7.462 5.648 -12.522 1.00 0.00 N ATOM 1198 CA LYS A 81 7.207 6.920 -13.188 1.00 0.00 C ATOM 1199 C LYS A 81 7.904 8.064 -12.458 1.00 0.00 C ATOM 1200 O LYS A 81 8.583 7.851 -11.454 1.00 0.00 O ATOM 1201 CB LYS A 81 5.703 7.189 -13.261 1.00 0.00 C ATOM 1202 CG LYS A 81 4.880 5.957 -13.595 1.00 0.00 C ATOM 1203 CD LYS A 81 4.882 5.672 -15.088 1.00 0.00 C ATOM 1204 CE LYS A 81 3.740 4.748 -15.481 1.00 0.00 C ATOM 1205 NZ LYS A 81 2.456 5.486 -15.630 1.00 0.00 N ATOM 0 H LYS A 81 6.749 5.377 -11.844 1.00 0.00 H new ATOM 0 HA LYS A 81 7.608 6.859 -14.200 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.368 7.591 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.516 7.956 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.279 5.096 -13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.855 6.099 -13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.799 6.609 -15.638 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.832 5.219 -15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.983 4.249 -16.419 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.626 3.970 -14.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.703 4.821 -15.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.211 5.941 -14.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.556 6.212 -16.368 1.00 0.00 H new ATOM 1219 N ASP A 82 7.731 9.278 -12.969 1.00 0.00 N ATOM 1220 CA ASP A 82 8.341 10.457 -12.365 1.00 0.00 C ATOM 1221 C ASP A 82 8.133 10.462 -10.854 1.00 0.00 C ATOM 1222 O ASP A 82 9.084 10.324 -10.085 1.00 0.00 O ATOM 1223 CB ASP A 82 7.757 11.731 -12.977 1.00 0.00 C ATOM 1224 CG ASP A 82 8.743 12.882 -12.968 1.00 0.00 C ATOM 1225 OD1 ASP A 82 9.616 12.909 -12.076 1.00 0.00 O ATOM 1226 OD2 ASP A 82 8.641 13.757 -13.854 1.00 0.00 O ATOM 0 H ASP A 82 7.173 9.472 -13.801 1.00 0.00 H new ATOM 0 HA ASP A 82 9.412 10.425 -12.567 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.448 11.529 -14.003 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.862 12.019 -12.425 1.00 0.00 H new ATOM 1231 N GLY A 83 6.881 10.623 -10.434 1.00 0.00 N ATOM 1232 CA GLY A 83 6.571 10.644 -9.016 1.00 0.00 C ATOM 1233 C GLY A 83 5.555 9.588 -8.629 1.00 0.00 C ATOM 1234 O GLY A 83 4.782 9.775 -7.690 1.00 0.00 O ATOM 0 H GLY A 83 6.077 10.739 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.486 10.490 -8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.189 11.628 -8.745 1.00 0.00 H new ATOM 1238 N SER A 84 5.553 8.476 -9.357 1.00 0.00 N ATOM 1239 CA SER A 84 4.620 7.388 -9.088 1.00 0.00 C ATOM 1240 C SER A 84 5.367 6.111 -8.714 1.00 0.00 C ATOM 1241 O SER A 84 6.285 5.686 -9.417 1.00 0.00 O ATOM 1242 CB SER A 84 3.734 7.134 -10.309 1.00 0.00 C ATOM 1243 OG SER A 84 3.511 8.331 -11.035 1.00 0.00 O ATOM 0 H SER A 84 6.187 8.305 -10.138 1.00 0.00 H new ATOM 0 HA SER A 84 3.992 7.681 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.205 6.395 -10.957 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.780 6.716 -9.989 1.00 0.00 H new ATOM 0 HG SER A 84 2.944 8.142 -11.811 1.00 0.00 H new ATOM 1249 N PHE A 85 4.968 5.504 -7.602 1.00 0.00 N ATOM 1250 CA PHE A 85 5.599 4.276 -7.132 1.00 0.00 C ATOM 1251 C PHE A 85 4.698 3.070 -7.382 1.00 0.00 C ATOM 1252 O PHE A 85 3.474 3.167 -7.287 1.00 0.00 O ATOM 1253 CB PHE A 85 5.925 4.383 -5.641 1.00 0.00 C ATOM 1254 CG PHE A 85 7.035 5.348 -5.337 1.00 0.00 C ATOM 1255 CD1 PHE A 85 6.784 6.709 -5.256 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.328 4.896 -5.133 1.00 0.00 C ATOM 1257 CE1 PHE A 85 7.804 7.599 -4.977 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.352 5.782 -4.854 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.089 7.135 -4.775 1.00 0.00 C ATOM 0 H PHE A 85 4.210 5.842 -7.009 1.00 0.00 H new ATOM 0 HA PHE A 85 6.525 4.137 -7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.029 4.691 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.199 3.397 -5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.781 7.078 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.539 3.838 -5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.596 8.657 -4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.356 5.416 -4.698 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.887 7.829 -4.556 1.00 0.00 H new ATOM 1269 N ILE A 86 5.311 1.937 -7.703 1.00 0.00 N ATOM 1270 CA ILE A 86 4.565 0.713 -7.967 1.00 0.00 C ATOM 1271 C ILE A 86 4.819 -0.330 -6.884 1.00 0.00 C ATOM 1272 O ILE A 86 5.965 -0.681 -6.601 1.00 0.00 O ATOM 1273 CB ILE A 86 4.932 0.113 -9.337 1.00 0.00 C ATOM 1274 CG1 ILE A 86 3.941 -0.988 -9.719 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.353 -0.431 -9.313 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.143 -1.525 -11.118 1.00 0.00 C ATOM 0 H ILE A 86 6.323 1.841 -7.787 1.00 0.00 H new ATOM 0 HA ILE A 86 3.509 0.982 -7.969 1.00 0.00 H new ATOM 0 HB ILE A 86 4.877 0.901 -10.088 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.030 -1.809 -9.007 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.927 -0.599 -9.631 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.598 -0.852 -10.288 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.048 0.376 -9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.432 -1.208 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.405 -2.302 -11.320 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.024 -0.716 -11.839 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.145 -1.945 -11.205 1.00 0.00 H new ATOM 1288 N VAL A 87 3.742 -0.823 -6.280 1.00 0.00 N ATOM 1289 CA VAL A 87 3.847 -1.829 -5.230 1.00 0.00 C ATOM 1290 C VAL A 87 3.662 -3.233 -5.793 1.00 0.00 C ATOM 1291 O VAL A 87 2.686 -3.510 -6.490 1.00 0.00 O ATOM 1292 CB VAL A 87 2.807 -1.591 -4.119 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.037 -2.547 -2.958 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.852 -0.146 -3.648 1.00 0.00 C ATOM 0 H VAL A 87 2.787 -0.542 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 87 4.847 -1.741 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 87 1.815 -1.785 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.293 -2.364 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.949 -3.575 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.034 -2.388 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.111 0.004 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.845 0.079 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.633 0.517 -4.485 1.00 0.00 H new ATOM 1304 N ARG A 88 4.605 -4.118 -5.484 1.00 0.00 N ATOM 1305 CA ARG A 88 4.547 -5.495 -5.960 1.00 0.00 C ATOM 1306 C ARG A 88 4.964 -6.468 -4.861 1.00 0.00 C ATOM 1307 O ARG A 88 6.039 -6.335 -4.276 1.00 0.00 O ATOM 1308 CB ARG A 88 5.448 -5.673 -7.183 1.00 0.00 C ATOM 1309 CG ARG A 88 5.043 -4.812 -8.369 1.00 0.00 C ATOM 1310 CD ARG A 88 5.975 -5.019 -9.552 1.00 0.00 C ATOM 1311 NE ARG A 88 7.186 -4.209 -9.442 1.00 0.00 N ATOM 1312 CZ ARG A 88 8.013 -3.983 -10.457 1.00 0.00 C ATOM 1313 NH1 ARG A 88 7.762 -4.502 -11.650 1.00 0.00 N ATOM 1314 NH2 ARG A 88 9.095 -3.235 -10.278 1.00 0.00 N ATOM 0 H ARG A 88 5.418 -3.906 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 88 3.517 -5.712 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.475 -5.434 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.435 -6.721 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.021 -5.053 -8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.051 -3.762 -8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.248 -6.072 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.452 -4.766 -10.474 1.00 0.00 H new ATOM 0 HE ARG A 88 7.409 -3.795 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.932 -5.077 -11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.399 -4.326 -12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.292 -2.834 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.730 -3.062 -11.057 1.00 0.00 H new ATOM 1328 N TYR A 89 4.106 -7.444 -4.586 1.00 0.00 N ATOM 1329 CA TYR A 89 4.384 -8.438 -3.556 1.00 0.00 C ATOM 1330 C TYR A 89 3.892 -9.817 -3.982 1.00 0.00 C ATOM 1331 O TYR A 89 3.048 -9.940 -4.871 1.00 0.00 O ATOM 1332 CB TYR A 89 3.725 -8.033 -2.237 1.00 0.00 C ATOM 1333 CG TYR A 89 2.214 -8.089 -2.273 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.538 -9.282 -2.052 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.463 -6.948 -2.527 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.158 -9.338 -2.085 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.083 -6.994 -2.561 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.565 -8.191 -2.340 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.940 -8.242 -2.372 1.00 0.00 O ATOM 0 H TYR A 89 3.212 -7.568 -5.062 1.00 0.00 H new ATOM 0 HA TYR A 89 5.464 -8.486 -3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.086 -8.688 -1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.037 -7.021 -1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.101 -10.181 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.967 -6.009 -2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.352 -10.274 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.485 -6.097 -2.760 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.296 -7.349 -2.563 1.00 0.00 H new ATOM 1349 N ARG A 90 4.424 -10.853 -3.341 1.00 0.00 N ATOM 1350 CA ARG A 90 4.039 -12.224 -3.653 1.00 0.00 C ATOM 1351 C ARG A 90 3.245 -12.840 -2.506 1.00 0.00 C ATOM 1352 O ARG A 90 3.467 -12.517 -1.340 1.00 0.00 O ATOM 1353 CB ARG A 90 5.280 -13.071 -3.941 1.00 0.00 C ATOM 1354 CG ARG A 90 6.263 -13.125 -2.783 1.00 0.00 C ATOM 1355 CD ARG A 90 7.646 -13.556 -3.246 1.00 0.00 C ATOM 1356 NE ARG A 90 8.580 -13.686 -2.130 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.900 -13.718 -2.277 1.00 0.00 C ATOM 1358 NH1 ARG A 90 10.438 -13.629 -3.486 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.684 -13.838 -1.214 1.00 0.00 N ATOM 0 H ARG A 90 5.123 -10.769 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 90 3.406 -12.204 -4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.968 -14.085 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.787 -12.670 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.325 -12.144 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.898 -13.820 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.572 -14.509 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.033 -12.829 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 90 8.198 -13.756 -1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.838 -13.536 -4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.452 -13.654 -3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.274 -13.906 -0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.697 -13.863 -1.328 1.00 0.00 H new ATOM 1373 N MET A 91 2.317 -13.729 -2.846 1.00 0.00 N ATOM 1374 CA MET A 91 1.490 -14.391 -1.844 1.00 0.00 C ATOM 1375 C MET A 91 1.549 -15.907 -2.005 1.00 0.00 C ATOM 1376 O MET A 91 1.595 -16.644 -1.019 1.00 0.00 O ATOM 1377 CB MET A 91 0.041 -13.912 -1.950 1.00 0.00 C ATOM 1378 CG MET A 91 -0.888 -14.554 -0.933 1.00 0.00 C ATOM 1379 SD MET A 91 -0.803 -13.761 0.684 1.00 0.00 S ATOM 1380 CE MET A 91 -2.400 -14.205 1.363 1.00 0.00 C ATOM 0 H MET A 91 2.119 -14.007 -3.807 1.00 0.00 H new ATOM 0 HA MET A 91 1.880 -14.132 -0.860 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.015 -12.830 -1.822 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.330 -14.123 -2.953 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.912 -14.508 -1.303 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.634 -15.609 -0.830 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.390 -14.058 2.443 1.00 0.00 H new ATOM 0 HE2 MET A 91 -3.172 -13.576 0.919 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.612 -15.251 1.141 1.00 0.00 H new ATOM 1390 N TYR A 92 1.547 -16.365 -3.251 1.00 0.00 N ATOM 1391 CA TYR A 92 1.598 -17.793 -3.540 1.00 0.00 C ATOM 1392 C TYR A 92 0.748 -18.581 -2.548 1.00 0.00 C ATOM 1393 O TYR A 92 1.186 -19.596 -2.008 1.00 0.00 O ATOM 1394 CB TYR A 92 3.043 -18.292 -3.500 1.00 0.00 C ATOM 1395 CG TYR A 92 3.766 -17.950 -2.217 1.00 0.00 C ATOM 1396 CD1 TYR A 92 4.445 -16.745 -2.079 1.00 0.00 C ATOM 1397 CD2 TYR A 92 3.770 -18.830 -1.142 1.00 0.00 C ATOM 1398 CE1 TYR A 92 5.108 -16.429 -0.909 1.00 0.00 C ATOM 1399 CE2 TYR A 92 4.428 -18.521 0.032 1.00 0.00 C ATOM 1400 CZ TYR A 92 5.096 -17.320 0.144 1.00 0.00 C ATOM 1401 OH TYR A 92 5.754 -17.007 1.311 1.00 0.00 O ATOM 0 H TYR A 92 1.511 -15.768 -4.077 1.00 0.00 H new ATOM 0 HA TYR A 92 1.194 -17.949 -4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.049 -19.374 -3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.590 -17.864 -4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.454 -16.044 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.249 -19.772 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.633 -15.489 -0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.419 -19.216 0.858 1.00 0.00 H new ATOM 0 HH TYR A 92 5.648 -17.740 1.953 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.470 -18.104 -2.313 1.00 0.00 N ATOM 1412 CA ALA A 93 -1.383 -18.764 -1.388 1.00 0.00 C ATOM 1413 C ALA A 93 -2.825 -18.341 -1.645 1.00 0.00 C ATOM 1414 O ALA A 93 -3.097 -17.180 -1.949 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.990 -18.458 0.050 1.00 0.00 C ATOM 0 H ALA A 93 -0.847 -17.263 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.312 -19.839 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.680 -18.957 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.023 -18.816 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.031 -17.382 0.217 1.00 0.00 H new ATOM 1421 N SER A 94 -3.747 -19.292 -1.523 1.00 0.00 N ATOM 1422 CA SER A 94 -5.161 -19.018 -1.747 1.00 0.00 C ATOM 1423 C SER A 94 -5.721 -18.119 -0.649 1.00 0.00 C ATOM 1424 O SER A 94 -5.793 -18.513 0.515 1.00 0.00 O ATOM 1425 CB SER A 94 -5.952 -20.327 -1.804 1.00 0.00 C ATOM 1426 OG SER A 94 -5.687 -21.031 -3.004 1.00 0.00 O ATOM 0 H SER A 94 -3.539 -20.258 -1.270 1.00 0.00 H new ATOM 0 HA SER A 94 -5.259 -18.500 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.692 -20.950 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.019 -20.114 -1.731 1.00 0.00 H new ATOM 0 HG SER A 94 -6.203 -21.864 -3.015 1.00 0.00 H new ATOM 1432 N TYR A 95 -6.117 -16.909 -1.029 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.669 -15.952 -0.077 1.00 0.00 C ATOM 1434 C TYR A 95 -8.050 -15.479 -0.519 1.00 0.00 C ATOM 1435 O TYR A 95 -8.290 -15.243 -1.704 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.731 -14.754 0.074 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.573 -13.944 -1.193 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -4.610 -14.275 -2.137 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -6.389 -12.848 -1.446 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -4.462 -13.538 -3.296 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -6.250 -12.106 -2.603 1.00 0.00 C ATOM 1442 CZ TYR A 95 -5.284 -12.455 -3.525 1.00 0.00 C ATOM 1443 OH TYR A 95 -5.141 -11.718 -4.678 1.00 0.00 O ATOM 0 H TYR A 95 -6.066 -16.568 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.768 -16.452 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.108 -14.106 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.751 -15.109 0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.965 -15.124 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.145 -12.572 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.707 -13.809 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.893 -11.258 -2.785 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.260 -11.893 -5.071 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.957 -15.341 0.442 1.00 0.00 N ATOM 1454 CA LYS A 96 -10.315 -14.894 0.156 1.00 0.00 C ATOM 1455 C LYS A 96 -10.413 -13.373 0.227 1.00 0.00 C ATOM 1456 O LYS A 96 -10.990 -12.737 -0.654 1.00 0.00 O ATOM 1457 CB LYS A 96 -11.300 -15.526 1.140 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.678 -16.955 0.789 1.00 0.00 C ATOM 1459 CD LYS A 96 -12.925 -17.401 1.534 1.00 0.00 C ATOM 1460 CE LYS A 96 -13.715 -18.427 0.735 1.00 0.00 C ATOM 1461 NZ LYS A 96 -14.284 -17.841 -0.510 1.00 0.00 N ATOM 0 H LYS A 96 -8.776 -15.533 1.427 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.570 -15.210 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.864 -15.509 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.204 -14.918 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.847 -17.034 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.850 -17.621 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.642 -17.827 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.555 -16.536 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.067 -19.265 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.522 -18.824 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.122 -18.386 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.557 -16.853 -0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.571 -17.875 -1.267 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.846 -12.797 1.282 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.870 -11.351 1.468 1.00 0.00 C ATOM 1477 C ASN A 97 -8.544 -10.853 2.036 1.00 0.00 C ATOM 1478 O ASN A 97 -7.960 -11.481 2.921 1.00 0.00 O ATOM 1479 CB ASN A 97 -11.017 -10.954 2.399 1.00 0.00 C ATOM 1480 CG ASN A 97 -12.245 -11.823 2.206 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -12.780 -11.925 1.103 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -12.697 -12.455 3.283 1.00 0.00 N ATOM 0 H ASN A 97 -9.364 -13.309 2.021 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.025 -10.888 0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.683 -11.026 3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.281 -9.912 2.222 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.520 -13.054 3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.221 -12.341 4.178 1.00 0.00 H new ATOM 1489 N LEU A 98 -8.074 -9.722 1.523 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.817 -9.139 1.979 1.00 0.00 C ATOM 1491 C LEU A 98 -7.017 -7.693 2.422 1.00 0.00 C ATOM 1492 O LEU A 98 -8.011 -7.056 2.072 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.769 -9.203 0.867 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.913 -10.470 0.825 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.364 -10.696 -0.575 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.779 -10.381 1.836 1.00 0.00 C ATOM 0 H LEU A 98 -8.544 -9.190 0.791 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.466 -9.717 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.278 -9.100 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.106 -8.344 0.970 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.542 -11.320 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.757 -11.602 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.191 -10.804 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.750 -9.844 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.180 -11.291 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.150 -9.522 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.193 -10.267 2.838 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.064 -7.178 3.192 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.132 -5.806 3.680 1.00 0.00 C ATOM 1510 C LYS A 99 -4.856 -5.043 3.339 1.00 0.00 C ATOM 1511 O LYS A 99 -3.751 -5.565 3.486 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.357 -5.792 5.194 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.365 -4.397 5.795 1.00 0.00 C ATOM 1514 CD LYS A 99 -7.264 -4.322 7.017 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.909 -5.392 8.038 1.00 0.00 C ATOM 1516 NZ LYS A 99 -5.772 -4.976 8.905 1.00 0.00 N ATOM 0 H LYS A 99 -5.235 -7.691 3.492 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.971 -5.314 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.306 -6.280 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.576 -6.381 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.350 -4.113 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.705 -3.680 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.175 -3.337 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.304 -4.439 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.780 -5.605 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.652 -6.316 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.561 -5.732 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.934 -4.797 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.026 -4.108 9.418 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.017 -3.805 2.883 1.00 0.00 N ATOM 1531 CA VAL A 100 -3.878 -2.969 2.523 1.00 0.00 C ATOM 1532 C VAL A 100 -3.790 -1.742 3.423 1.00 0.00 C ATOM 1533 O VAL A 100 -4.806 -1.231 3.892 1.00 0.00 O ATOM 1534 CB VAL A 100 -3.960 -2.511 1.055 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -2.835 -1.538 0.735 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -3.920 -3.710 0.119 1.00 0.00 C ATOM 0 H VAL A 100 -5.925 -3.359 2.754 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.984 -3.578 2.656 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.908 -1.995 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.909 -1.226 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.914 -0.665 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.874 -2.026 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -3.979 -3.367 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.989 -4.257 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.764 -4.366 0.332 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.568 -1.273 3.659 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.349 -0.105 4.504 1.00 0.00 C ATOM 1548 C GLU A 101 -1.171 0.721 3.994 1.00 0.00 C ATOM 1549 O GLU A 101 -0.035 0.247 3.964 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.097 -0.535 5.950 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.366 -0.666 6.776 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.087 -0.764 8.263 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.506 -1.784 8.691 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.448 0.178 8.999 1.00 0.00 O ATOM 0 H GLU A 101 -1.716 -1.684 3.277 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.246 0.513 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.573 -1.491 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.437 0.190 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.009 0.194 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.915 -1.551 6.454 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.452 1.957 3.595 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.417 2.849 3.088 1.00 0.00 C ATOM 1563 C ILE A 102 -0.185 4.018 4.038 1.00 0.00 C ATOM 1564 O ILE A 102 -1.062 4.861 4.230 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.779 3.397 1.695 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.322 2.276 0.807 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.435 4.050 1.051 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.821 2.098 0.908 1.00 0.00 C ATOM 0 H ILE A 102 -2.387 2.363 3.613 1.00 0.00 H new ATOM 0 HA ILE A 102 0.497 2.260 3.011 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.556 4.153 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.058 2.485 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.834 1.340 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.163 4.432 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.781 4.872 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.232 3.314 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.136 1.287 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.090 1.858 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.318 3.021 0.608 1.00 0.00 H new ATOM 1580 N LYS A 103 1.004 4.066 4.631 1.00 0.00 N ATOM 1581 CA LYS A 103 1.354 5.133 5.559 1.00 0.00 C ATOM 1582 C LYS A 103 2.507 5.971 5.015 1.00 0.00 C ATOM 1583 O LYS A 103 3.258 5.523 4.149 1.00 0.00 O ATOM 1584 CB LYS A 103 1.734 4.549 6.922 1.00 0.00 C ATOM 1585 CG LYS A 103 0.540 4.096 7.744 1.00 0.00 C ATOM 1586 CD LYS A 103 0.964 3.217 8.908 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.219 2.472 9.505 1.00 0.00 C ATOM 1588 NZ LYS A 103 0.125 1.836 10.806 1.00 0.00 N ATOM 0 H LYS A 103 1.741 3.377 4.484 1.00 0.00 H new ATOM 0 HA LYS A 103 0.483 5.777 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.403 3.702 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.290 5.298 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.005 4.968 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.154 3.548 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.713 2.501 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.434 3.831 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.049 3.164 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.557 1.708 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.708 1.338 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.900 1.157 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.423 2.568 11.482 1.00 0.00 H new ATOM 1602 N PHE A 104 2.642 7.189 5.529 1.00 0.00 N ATOM 1603 CA PHE A 104 3.703 8.089 5.095 1.00 0.00 C ATOM 1604 C PHE A 104 4.226 8.919 6.264 1.00 0.00 C ATOM 1605 O PHE A 104 3.565 9.852 6.720 1.00 0.00 O ATOM 1606 CB PHE A 104 3.196 9.014 3.986 1.00 0.00 C ATOM 1607 CG PHE A 104 3.982 10.287 3.860 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.181 10.311 3.165 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.523 11.460 4.437 1.00 0.00 C ATOM 1610 CE1 PHE A 104 5.907 11.481 3.046 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.245 12.633 4.322 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.439 12.643 3.627 1.00 0.00 C ATOM 0 H PHE A 104 2.029 7.575 6.247 1.00 0.00 H new ATOM 0 HA PHE A 104 4.522 7.483 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.229 8.481 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.151 9.259 4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.552 9.404 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.591 11.458 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.839 11.486 2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.876 13.541 4.775 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.005 13.558 3.538 1.00 0.00 H new ATOM 1622 N GLN A 105 5.415 8.571 6.744 1.00 0.00 N ATOM 1623 CA GLN A 105 6.026 9.282 7.861 1.00 0.00 C ATOM 1624 C GLN A 105 5.182 9.139 9.124 1.00 0.00 C ATOM 1625 O GLN A 105 5.153 10.034 9.968 1.00 0.00 O ATOM 1626 CB GLN A 105 6.202 10.762 7.516 1.00 0.00 C ATOM 1627 CG GLN A 105 7.140 11.006 6.345 1.00 0.00 C ATOM 1628 CD GLN A 105 7.700 12.415 6.330 1.00 0.00 C ATOM 1629 OE1 GLN A 105 7.202 13.300 7.026 1.00 0.00 O ATOM 1630 NE2 GLN A 105 8.740 12.630 5.534 1.00 0.00 N ATOM 0 H GLN A 105 5.975 7.801 6.377 1.00 0.00 H new ATOM 0 HA GLN A 105 7.005 8.841 8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.227 11.191 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.583 11.288 8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.963 10.292 6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.607 10.821 5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.120 11.867 4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.159 13.559 5.482 1.00 0.00 H new ATOM 1639 N GLY A 106 4.496 8.007 9.246 1.00 0.00 N ATOM 1640 CA GLY A 106 3.661 7.767 10.409 1.00 0.00 C ATOM 1641 C GLY A 106 2.318 8.463 10.310 1.00 0.00 C ATOM 1642 O GLY A 106 1.906 9.165 11.234 1.00 0.00 O ATOM 0 H GLY A 106 4.503 7.252 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.504 6.695 10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.181 8.111 11.303 1.00 0.00 H new ATOM 1646 N GLN A 107 1.634 8.270 9.187 1.00 0.00 N ATOM 1647 CA GLN A 107 0.330 8.887 8.972 1.00 0.00 C ATOM 1648 C GLN A 107 -0.356 8.295 7.745 1.00 0.00 C ATOM 1649 O GLN A 107 0.269 8.105 6.702 1.00 0.00 O ATOM 1650 CB GLN A 107 0.480 10.401 8.806 1.00 0.00 C ATOM 1651 CG GLN A 107 0.685 10.838 7.364 1.00 0.00 C ATOM 1652 CD GLN A 107 1.246 12.241 7.254 1.00 0.00 C ATOM 1653 OE1 GLN A 107 0.500 13.219 7.207 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.569 12.348 7.212 1.00 0.00 N ATOM 0 H GLN A 107 1.960 7.692 8.413 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.289 8.684 9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.409 10.891 9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.325 10.742 9.404 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.361 10.141 6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.267 10.789 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.150 11.511 7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.004 13.268 7.138 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.647 8.005 7.878 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.419 7.434 6.780 1.00 0.00 C ATOM 1665 C HIS A 108 -2.503 8.410 5.610 1.00 0.00 C ATOM 1666 O HIS A 108 -2.715 9.607 5.802 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.824 7.065 7.255 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.909 5.705 7.877 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.198 4.565 7.157 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.740 5.306 9.159 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.204 3.524 7.970 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.928 3.947 9.191 1.00 0.00 N ATOM 0 H HIS A 108 -2.180 8.156 8.735 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.910 6.532 6.441 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.161 7.808 7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.509 7.111 6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.501 5.939 10.001 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.401 2.501 7.685 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.865 3.359 10.022 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.336 7.890 4.398 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.394 8.715 3.198 1.00 0.00 C ATOM 1683 C VAL A 109 -3.743 8.577 2.501 1.00 0.00 C ATOM 1684 O VAL A 109 -4.370 9.572 2.137 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.276 8.342 2.206 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.444 9.104 0.900 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.090 8.612 2.818 1.00 0.00 C ATOM 0 H VAL A 109 -2.159 6.901 4.222 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.257 9.748 3.517 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.348 7.276 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.645 8.827 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.408 8.856 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.400 10.175 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.868 8.343 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.175 9.670 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.207 8.017 3.724 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.185 7.337 2.318 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.461 7.069 1.667 1.00 0.00 C ATOM 1699 C ALA A 110 -6.510 6.620 2.679 1.00 0.00 C ATOM 1700 O ALA A 110 -6.264 6.619 3.885 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.289 6.018 0.581 1.00 0.00 C ATOM 0 H ALA A 110 -3.678 6.502 2.612 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.809 7.995 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.250 5.828 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.578 6.377 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.915 5.095 1.024 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.681 6.239 2.180 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.769 5.787 3.040 1.00 0.00 C ATOM 1709 C LYS A 111 -8.508 4.373 3.548 1.00 0.00 C ATOM 1710 O LYS A 111 -9.349 3.486 3.401 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.097 5.832 2.282 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.823 7.161 2.405 1.00 0.00 C ATOM 1713 CD LYS A 111 -10.171 8.234 1.549 1.00 0.00 C ATOM 1714 CE LYS A 111 -10.605 8.128 0.096 1.00 0.00 C ATOM 1715 NZ LYS A 111 -10.055 9.238 -0.730 1.00 0.00 N ATOM 0 H LYS A 111 -7.901 6.234 1.184 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.825 6.457 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.911 5.625 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.745 5.038 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.864 7.037 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.828 7.479 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.432 9.219 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.087 8.143 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.275 7.173 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.694 8.139 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.374 9.129 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.391 10.148 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.016 9.212 -0.698 1.00 0.00 H new ATOM 1729 N SER A 112 -7.340 4.170 4.147 1.00 0.00 N ATOM 1730 CA SER A 112 -6.968 2.862 4.675 1.00 0.00 C ATOM 1731 C SER A 112 -7.397 2.723 6.133 1.00 0.00 C ATOM 1732 O SER A 112 -7.657 3.706 6.827 1.00 0.00 O ATOM 1733 CB SER A 112 -5.458 2.649 4.554 1.00 0.00 C ATOM 1734 OG SER A 112 -5.130 2.006 3.334 1.00 0.00 O ATOM 0 H SER A 112 -6.634 4.894 4.279 1.00 0.00 H new ATOM 0 HA SER A 112 -7.483 2.101 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.946 3.610 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.104 2.049 5.392 1.00 0.00 H new ATOM 0 HG SER A 112 -5.859 2.132 2.692 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.473 1.471 6.609 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.167 0.293 5.792 1.00 0.00 C ATOM 1742 C PRO A 113 -8.214 0.050 4.711 1.00 0.00 C ATOM 1743 O PRO A 113 -9.254 0.708 4.680 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.170 -0.853 6.807 1.00 0.00 C ATOM 1745 CG PRO A 113 -8.054 -0.380 7.909 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.865 1.110 7.982 1.00 0.00 C ATOM 0 HA PRO A 113 -6.225 0.403 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.548 -1.774 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.164 -1.064 7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.095 -0.632 7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.787 -0.854 8.854 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.781 1.617 8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -7.096 1.383 8.705 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.933 -0.899 3.825 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.849 -1.228 2.740 1.00 0.00 C ATOM 1756 C TYR A 114 -9.388 -2.647 2.893 1.00 0.00 C ATOM 1757 O TYR A 114 -8.680 -3.622 2.640 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.148 -1.080 1.389 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.142 0.337 0.862 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.234 0.846 0.169 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.044 1.167 1.055 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.233 2.140 -0.315 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.035 2.462 0.576 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.132 2.944 -0.109 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.126 4.234 -0.589 1.00 0.00 O ATOM 0 H TYR A 114 -7.077 -1.454 3.837 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.688 -0.533 2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.119 -1.428 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.638 -1.727 0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.098 0.219 0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.183 0.793 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.090 2.520 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.174 3.094 0.736 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.042 4.581 -0.605 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.646 -2.754 3.308 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.281 -4.053 3.493 1.00 0.00 C ATOM 1777 C ILE A 115 -11.950 -4.526 2.207 1.00 0.00 C ATOM 1778 O ILE A 115 -13.036 -4.065 1.853 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.331 -4.010 4.619 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.821 -3.169 5.790 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.670 -5.420 5.080 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.545 -3.700 6.406 1.00 0.00 C ATOM 0 H ILE A 115 -11.245 -1.957 3.522 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.493 -4.754 3.768 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.239 -3.547 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.652 -2.148 5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.594 -3.123 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.413 -5.374 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.071 -5.990 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.769 -5.907 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.242 -3.054 7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.714 -4.710 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.758 -3.720 5.652 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.295 -5.450 1.512 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.827 -5.989 0.265 1.00 0.00 C ATOM 1796 C LEU A 116 -12.546 -7.312 0.506 1.00 0.00 C ATOM 1797 O LEU A 116 -11.920 -8.320 0.837 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.700 -6.185 -0.751 1.00 0.00 C ATOM 1799 CG LEU A 116 -9.898 -4.934 -1.112 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.718 -4.765 -0.167 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -9.421 -5.006 -2.556 1.00 0.00 C ATOM 0 H LEU A 116 -10.395 -5.841 1.791 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.546 -5.274 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.011 -6.934 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.129 -6.594 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.548 -4.065 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.159 -3.870 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.082 -4.668 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.066 -5.636 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.852 -4.108 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.787 -5.883 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.282 -5.079 -3.220 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.864 -7.304 0.336 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.669 -8.504 0.531 1.00 0.00 C ATOM 1815 C LYS A 117 -15.859 -8.522 -0.423 1.00 0.00 C ATOM 1816 O LYS A 117 -16.188 -7.510 -1.039 1.00 0.00 O ATOM 1817 CB LYS A 117 -15.160 -8.583 1.978 1.00 0.00 C ATOM 1818 CG LYS A 117 -16.150 -7.491 2.345 1.00 0.00 C ATOM 1819 CD LYS A 117 -16.190 -7.256 3.846 1.00 0.00 C ATOM 1820 CE LYS A 117 -17.206 -6.186 4.215 1.00 0.00 C ATOM 1821 NZ LYS A 117 -16.652 -4.814 4.048 1.00 0.00 N ATOM 0 H LYS A 117 -14.398 -6.479 0.063 1.00 0.00 H new ATOM 0 HA LYS A 117 -14.043 -9.370 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.626 -9.555 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.302 -8.524 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.877 -6.566 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.144 -7.766 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.439 -8.187 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.202 -6.957 4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.093 -6.298 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.522 -6.327 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.375 -4.114 4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.820 -4.698 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.374 -4.670 3.056 1.00 0.00 H new ATOM 1835 N GLY A 118 -16.501 -9.680 -0.538 1.00 0.00 N ATOM 1836 CA GLY A 118 -17.648 -9.808 -1.418 1.00 0.00 C ATOM 1837 C GLY A 118 -17.857 -11.231 -1.896 1.00 0.00 C ATOM 1838 O GLY A 118 -16.924 -11.875 -2.374 1.00 0.00 O ATOM 0 H GLY A 118 -16.248 -10.532 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -18.542 -9.469 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.515 -9.154 -2.280 1.00 0.00 H new ATOM 1842 N SER A 119 -19.085 -11.723 -1.766 1.00 0.00 N ATOM 1843 CA SER A 119 -19.412 -13.081 -2.183 1.00 0.00 C ATOM 1844 C SER A 119 -20.896 -13.205 -2.517 1.00 0.00 C ATOM 1845 O SER A 119 -21.717 -12.419 -2.045 1.00 0.00 O ATOM 1846 CB SER A 119 -19.040 -14.079 -1.085 1.00 0.00 C ATOM 1847 OG SER A 119 -19.104 -15.411 -1.563 1.00 0.00 O ATOM 0 H SER A 119 -19.870 -11.201 -1.375 1.00 0.00 H new ATOM 0 HA SER A 119 -18.835 -13.307 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 119 -18.034 -13.867 -0.723 1.00 0.00 H new ATOM 0 HB3 SER A 119 -19.715 -13.961 -0.238 1.00 0.00 H new ATOM 0 HG SER A 119 -18.860 -16.029 -0.843 1.00 0.00 H new ATOM 1853 N GLY A 120 -21.232 -14.198 -3.334 1.00 0.00 N ATOM 1854 CA GLY A 120 -22.616 -14.408 -3.717 1.00 0.00 C ATOM 1855 C GLY A 120 -22.784 -14.576 -5.214 1.00 0.00 C ATOM 1856 O GLY A 120 -22.402 -13.713 -6.004 1.00 0.00 O ATOM 0 H GLY A 120 -20.570 -14.861 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -23.000 -15.293 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -23.215 -13.562 -3.380 1.00 0.00 H new ATOM 1860 N PRO A 121 -23.367 -15.713 -5.624 1.00 0.00 N ATOM 1861 CA PRO A 121 -23.596 -16.019 -7.039 1.00 0.00 C ATOM 1862 C PRO A 121 -24.670 -15.130 -7.658 1.00 0.00 C ATOM 1863 O PRO A 121 -25.838 -15.511 -7.730 1.00 0.00 O ATOM 1864 CB PRO A 121 -24.058 -17.478 -7.016 1.00 0.00 C ATOM 1865 CG PRO A 121 -24.642 -17.669 -5.659 1.00 0.00 C ATOM 1866 CD PRO A 121 -23.847 -16.786 -4.737 1.00 0.00 C ATOM 0 HA PRO A 121 -22.704 -15.849 -7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -24.795 -17.672 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -23.225 -18.160 -7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -25.697 -17.396 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -24.579 -18.713 -5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -24.462 -16.393 -3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -23.020 -17.327 -4.276 1.00 0.00 H new ATOM 1874 N SER A 122 -24.266 -13.945 -8.103 1.00 0.00 N ATOM 1875 CA SER A 122 -25.195 -13.000 -8.713 1.00 0.00 C ATOM 1876 C SER A 122 -25.096 -13.048 -10.235 1.00 0.00 C ATOM 1877 O SER A 122 -24.177 -12.481 -10.826 1.00 0.00 O ATOM 1878 CB SER A 122 -24.912 -11.581 -8.216 1.00 0.00 C ATOM 1879 OG SER A 122 -26.075 -10.776 -8.284 1.00 0.00 O ATOM 0 H SER A 122 -23.302 -13.616 -8.053 1.00 0.00 H new ATOM 0 HA SER A 122 -26.207 -13.283 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 122 -24.551 -11.618 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 122 -24.120 -11.133 -8.816 1.00 0.00 H new ATOM 0 HG SER A 122 -25.868 -9.875 -7.959 1.00 0.00 H new ATOM 1885 N SER A 123 -26.050 -13.728 -10.863 1.00 0.00 N ATOM 1886 CA SER A 123 -26.070 -13.853 -12.315 1.00 0.00 C ATOM 1887 C SER A 123 -26.064 -12.480 -12.979 1.00 0.00 C ATOM 1888 O SER A 123 -26.675 -11.535 -12.482 1.00 0.00 O ATOM 1889 CB SER A 123 -27.301 -14.643 -12.763 1.00 0.00 C ATOM 1890 OG SER A 123 -28.490 -13.906 -12.537 1.00 0.00 O ATOM 0 H SER A 123 -26.819 -14.201 -10.388 1.00 0.00 H new ATOM 0 HA SER A 123 -25.172 -14.389 -12.621 1.00 0.00 H new ATOM 0 HB2 SER A 123 -27.216 -14.886 -13.822 1.00 0.00 H new ATOM 0 HB3 SER A 123 -27.347 -15.588 -12.222 1.00 0.00 H new ATOM 0 HG SER A 123 -29.262 -14.432 -12.833 1.00 0.00 H new ATOM 1896 N GLY A 124 -25.366 -12.378 -14.107 1.00 0.00 N ATOM 1897 CA GLY A 124 -25.292 -11.117 -14.822 1.00 0.00 C ATOM 1898 C GLY A 124 -23.928 -10.466 -14.710 1.00 0.00 C ATOM 1899 O GLY A 124 -23.400 -10.301 -13.611 1.00 0.00 O ATOM 0 H GLY A 124 -24.851 -13.146 -14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -25.526 -11.285 -15.873 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -26.049 -10.437 -14.432 1.00 0.00 H new TER 1903 GLY A 124