USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS : no HD1:sc= -0.16 K(o=-0.22,f=-1) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.0585 K(o=-0.22,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.123) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.087) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -0.0364 (180deg=-0.46) USER MOD Single : A 21 SER OG : rot 123:sc= 0.00231 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 53:sc= 0.711 USER MOD Single : A 36 HIS : no HE2:sc= -0.946 K(o=-0.95,f=-2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 48 THR OG1 : rot -160:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.5!) USER MOD Single : A 61 TYR OH : rot 165:sc= -0.563 USER MOD Single : A 66 TYR OH : rot 21:sc= -0.147 USER MOD Single : A 72 THR OG1 : rot 180:sc=0.000436 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.752 -3.626 -8.542 1.00 0.00 N ATOM 2 CA MET A 1 -14.364 -4.773 -7.881 1.00 0.00 C ATOM 3 C MET A 1 -14.239 -6.027 -8.742 1.00 0.00 C ATOM 4 O MET A 1 -15.175 -6.821 -8.837 1.00 0.00 O ATOM 5 CB MET A 1 -15.837 -4.490 -7.581 1.00 0.00 C ATOM 6 CG MET A 1 -16.672 -4.235 -8.826 1.00 0.00 C ATOM 7 SD MET A 1 -18.442 -4.396 -8.519 1.00 0.00 S ATOM 8 CE MET A 1 -18.962 -2.686 -8.632 1.00 0.00 C ATOM 0 H1 MET A 1 -13.994 -2.757 -8.024 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.719 -3.744 -8.556 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.106 -3.558 -9.517 1.00 0.00 H new ATOM 0 HA MET A 1 -13.837 -4.944 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.258 -5.336 -7.038 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.906 -3.623 -6.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.462 -3.233 -9.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.377 -4.936 -9.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.037 -2.621 -8.464 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.441 -2.097 -7.878 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.725 -2.298 -9.623 1.00 0.00 H new ATOM 18 N VAL A 2 -13.079 -6.198 -9.366 1.00 0.00 N ATOM 19 CA VAL A 2 -12.832 -7.355 -10.218 1.00 0.00 C ATOM 20 C VAL A 2 -11.566 -8.090 -9.793 1.00 0.00 C ATOM 21 O VAL A 2 -10.457 -7.703 -10.162 1.00 0.00 O ATOM 22 CB VAL A 2 -12.703 -6.946 -11.698 1.00 0.00 C ATOM 23 CG1 VAL A 2 -12.600 -8.176 -12.585 1.00 0.00 C ATOM 24 CG2 VAL A 2 -13.878 -6.075 -12.114 1.00 0.00 C ATOM 0 H VAL A 2 -12.295 -5.550 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.689 -8.019 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.789 -6.364 -11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.510 -7.867 -13.626 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.722 -8.757 -12.301 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.494 -8.788 -12.464 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.771 -5.795 -13.162 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.807 -6.629 -11.980 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.900 -5.175 -11.499 1.00 0.00 H new ATOM 34 N SER A 3 -11.739 -9.154 -9.015 1.00 0.00 N ATOM 35 CA SER A 3 -10.610 -9.943 -8.536 1.00 0.00 C ATOM 36 C SER A 3 -10.667 -11.364 -9.090 1.00 0.00 C ATOM 37 O SER A 3 -10.427 -12.332 -8.369 1.00 0.00 O ATOM 38 CB SER A 3 -10.598 -9.979 -7.007 1.00 0.00 C ATOM 39 OG SER A 3 -10.260 -8.713 -6.469 1.00 0.00 O ATOM 0 H SER A 3 -12.650 -9.489 -8.703 1.00 0.00 H new ATOM 0 HA SER A 3 -9.693 -9.471 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.578 -10.284 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.883 -10.726 -6.663 1.00 0.00 H new ATOM 0 HG SER A 3 -10.261 -8.763 -5.490 1.00 0.00 H new ATOM 45 N ARG A 4 -10.985 -11.479 -10.375 1.00 0.00 N ATOM 46 CA ARG A 4 -11.074 -12.780 -11.026 1.00 0.00 C ATOM 47 C ARG A 4 -9.689 -13.394 -11.207 1.00 0.00 C ATOM 48 O ARG A 4 -9.476 -14.570 -10.909 1.00 0.00 O ATOM 49 CB ARG A 4 -11.766 -12.649 -12.384 1.00 0.00 C ATOM 50 CG ARG A 4 -13.283 -12.713 -12.304 1.00 0.00 C ATOM 51 CD ARG A 4 -13.784 -14.147 -12.373 1.00 0.00 C ATOM 52 NE ARG A 4 -13.578 -14.735 -13.694 1.00 0.00 N ATOM 53 CZ ARG A 4 -14.307 -14.422 -14.760 1.00 0.00 C ATOM 54 NH1 ARG A 4 -15.284 -13.531 -14.660 1.00 0.00 N ATOM 55 NH2 ARG A 4 -14.059 -15.000 -15.928 1.00 0.00 N ATOM 0 H ARG A 4 -11.185 -10.687 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 4 -11.664 -13.437 -10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.474 -11.703 -12.841 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.412 -13.443 -13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.619 -12.253 -11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.716 -12.135 -13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.268 -14.748 -11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.845 -14.173 -12.126 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.834 -15.424 -13.804 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.477 -13.084 -13.764 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.842 -13.292 -15.480 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.308 -15.686 -16.009 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.619 -14.759 -16.746 1.00 0.00 H new ATOM 69 N ASP A 5 -8.751 -12.591 -11.696 1.00 0.00 N ATOM 70 CA ASP A 5 -7.386 -13.055 -11.917 1.00 0.00 C ATOM 71 C ASP A 5 -6.443 -12.487 -10.861 1.00 0.00 C ATOM 72 O ASP A 5 -6.821 -11.610 -10.084 1.00 0.00 O ATOM 73 CB ASP A 5 -6.908 -12.656 -13.314 1.00 0.00 C ATOM 74 CG ASP A 5 -7.211 -11.206 -13.637 1.00 0.00 C ATOM 75 OD1 ASP A 5 -7.212 -10.377 -12.702 1.00 0.00 O ATOM 76 OD2 ASP A 5 -7.445 -10.899 -14.824 1.00 0.00 O ATOM 0 H ASP A 5 -8.911 -11.615 -11.947 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.380 -14.142 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.834 -12.825 -13.389 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.385 -13.298 -14.055 1.00 0.00 H new ATOM 81 N GLN A 6 -5.214 -12.993 -10.839 1.00 0.00 N ATOM 82 CA GLN A 6 -4.217 -12.537 -9.878 1.00 0.00 C ATOM 83 C GLN A 6 -4.765 -12.597 -8.456 1.00 0.00 C ATOM 84 O GLN A 6 -4.468 -11.736 -7.629 1.00 0.00 O ATOM 85 CB GLN A 6 -3.776 -11.110 -10.207 1.00 0.00 C ATOM 86 CG GLN A 6 -2.844 -11.022 -11.404 1.00 0.00 C ATOM 87 CD GLN A 6 -3.590 -10.992 -12.724 1.00 0.00 C ATOM 88 OE1 GLN A 6 -4.289 -10.027 -13.033 1.00 0.00 O ATOM 89 NE2 GLN A 6 -3.444 -12.053 -13.510 1.00 0.00 N ATOM 0 H GLN A 6 -4.885 -13.719 -11.476 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.355 -13.201 -9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.659 -10.501 -10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.278 -10.683 -9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.231 -10.125 -11.317 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.165 -11.874 -11.394 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.854 -12.830 -13.213 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.922 -12.090 -14.411 1.00 0.00 H new ATOM 98 N ALA A 7 -5.568 -13.619 -8.179 1.00 0.00 N ATOM 99 CA ALA A 7 -6.156 -13.792 -6.856 1.00 0.00 C ATOM 100 C ALA A 7 -5.158 -14.421 -5.890 1.00 0.00 C ATOM 101 O ALA A 7 -5.253 -14.236 -4.676 1.00 0.00 O ATOM 102 CB ALA A 7 -7.415 -14.643 -6.946 1.00 0.00 C ATOM 0 H ALA A 7 -5.826 -14.340 -8.853 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.422 -12.807 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.844 -14.764 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.140 -14.153 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.164 -15.622 -7.355 1.00 0.00 H new ATOM 108 N HIS A 8 -4.202 -15.166 -6.435 1.00 0.00 N ATOM 109 CA HIS A 8 -3.186 -15.822 -5.620 1.00 0.00 C ATOM 110 C HIS A 8 -2.030 -14.871 -5.323 1.00 0.00 C ATOM 111 O HIS A 8 -0.876 -15.160 -5.643 1.00 0.00 O ATOM 112 CB HIS A 8 -2.663 -17.073 -6.328 1.00 0.00 C ATOM 113 CG HIS A 8 -3.657 -18.192 -6.377 1.00 0.00 C ATOM 114 ND1 HIS A 8 -4.358 -18.525 -7.517 1.00 0.00 N ATOM 115 CD2 HIS A 8 -4.065 -19.057 -5.420 1.00 0.00 C ATOM 116 CE1 HIS A 8 -5.156 -19.547 -7.257 1.00 0.00 C ATOM 117 NE2 HIS A 8 -4.996 -19.889 -5.992 1.00 0.00 N ATOM 0 H HIS A 8 -4.110 -15.331 -7.437 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.646 -16.113 -4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.373 -16.810 -7.345 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.763 -17.419 -5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.722 -19.088 -4.396 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.825 -20.021 -7.960 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.484 -20.648 -5.517 1.00 0.00 H new ATOM 125 N LEU A 9 -2.347 -13.736 -4.709 1.00 0.00 N ATOM 126 CA LEU A 9 -1.335 -12.742 -4.370 1.00 0.00 C ATOM 127 C LEU A 9 -0.669 -13.076 -3.039 1.00 0.00 C ATOM 128 O LEU A 9 -1.037 -14.043 -2.374 1.00 0.00 O ATOM 129 CB LEU A 9 -1.963 -11.349 -4.303 1.00 0.00 C ATOM 130 CG LEU A 9 -2.146 -10.630 -5.640 1.00 0.00 C ATOM 131 CD1 LEU A 9 -3.081 -9.441 -5.484 1.00 0.00 C ATOM 132 CD2 LEU A 9 -0.801 -10.184 -6.195 1.00 0.00 C ATOM 0 H LEU A 9 -3.296 -13.482 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.574 -12.754 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.938 -11.435 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.344 -10.724 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.595 -11.328 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.199 -8.942 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.053 -9.786 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.662 -8.741 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.951 -9.674 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.324 -9.503 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.163 -11.055 -6.346 1.00 0.00 H new ATOM 144 N GLY A 10 0.314 -12.266 -2.655 1.00 0.00 N ATOM 145 CA GLY A 10 1.014 -12.491 -1.404 1.00 0.00 C ATOM 146 C GLY A 10 1.338 -11.199 -0.680 1.00 0.00 C ATOM 147 O GLY A 10 2.496 -10.791 -0.582 1.00 0.00 O ATOM 0 H GLY A 10 0.637 -11.459 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.404 -13.122 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.938 -13.035 -1.601 1.00 0.00 H new ATOM 151 N PRO A 11 0.298 -10.531 -0.160 1.00 0.00 N ATOM 152 CA PRO A 11 0.453 -9.267 0.567 1.00 0.00 C ATOM 153 C PRO A 11 1.135 -9.454 1.917 1.00 0.00 C ATOM 154 O PRO A 11 1.624 -10.539 2.233 1.00 0.00 O ATOM 155 CB PRO A 11 -0.989 -8.789 0.757 1.00 0.00 C ATOM 156 CG PRO A 11 -1.809 -10.032 0.716 1.00 0.00 C ATOM 157 CD PRO A 11 -1.109 -10.959 -0.239 1.00 0.00 C ATOM 0 HA PRO A 11 1.083 -8.561 0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.111 -8.266 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.283 -8.095 -0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.889 -10.480 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.824 -9.819 0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.229 -12.002 0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.502 -10.864 -1.251 1.00 0.00 H new ATOM 165 N LYS A 12 1.164 -8.390 2.713 1.00 0.00 N ATOM 166 CA LYS A 12 1.785 -8.437 4.031 1.00 0.00 C ATOM 167 C LYS A 12 0.860 -9.102 5.045 1.00 0.00 C ATOM 168 O LYS A 12 -0.352 -9.176 4.839 1.00 0.00 O ATOM 169 CB LYS A 12 2.142 -7.024 4.500 1.00 0.00 C ATOM 170 CG LYS A 12 3.621 -6.700 4.382 1.00 0.00 C ATOM 171 CD LYS A 12 3.845 -5.235 4.046 1.00 0.00 C ATOM 172 CE LYS A 12 3.375 -4.908 2.637 1.00 0.00 C ATOM 173 NZ LYS A 12 3.998 -3.657 2.121 1.00 0.00 N ATOM 0 H LYS A 12 0.764 -7.484 2.468 1.00 0.00 H new ATOM 0 HA LYS A 12 2.697 -9.029 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.573 -6.301 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.835 -6.907 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.123 -6.940 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.071 -7.324 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.312 -4.611 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.904 -4.996 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.618 -5.736 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.290 -4.803 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.652 -3.469 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.745 -2.862 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.032 -3.766 2.102 1.00 0.00 H new ATOM 187 N TYR A 13 1.437 -9.583 6.140 1.00 0.00 N ATOM 188 CA TYR A 13 0.664 -10.242 7.186 1.00 0.00 C ATOM 189 C TYR A 13 0.742 -9.463 8.495 1.00 0.00 C ATOM 190 O TYR A 13 1.789 -8.918 8.846 1.00 0.00 O ATOM 191 CB TYR A 13 1.168 -11.670 7.399 1.00 0.00 C ATOM 192 CG TYR A 13 0.802 -12.615 6.276 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.404 -12.509 5.028 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.145 -13.614 6.463 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.073 -13.369 4.000 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.482 -14.479 5.441 1.00 0.00 C ATOM 197 CZ TYR A 13 0.129 -14.353 4.211 1.00 0.00 C ATOM 198 OH TYR A 13 -0.204 -15.213 3.190 1.00 0.00 O ATOM 0 H TYR A 13 2.438 -9.529 6.327 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.377 -10.275 6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.252 -11.651 7.508 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.760 -12.055 8.334 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.144 -11.740 4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.626 -13.716 7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.550 -13.272 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.220 -15.250 5.604 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.883 -15.846 3.504 1.00 0.00 H new ATOM 208 N VAL A 14 -0.374 -9.414 9.215 1.00 0.00 N ATOM 209 CA VAL A 14 -0.433 -8.703 10.487 1.00 0.00 C ATOM 210 C VAL A 14 -1.285 -9.460 11.500 1.00 0.00 C ATOM 211 O VAL A 14 -2.149 -10.254 11.131 1.00 0.00 O ATOM 212 CB VAL A 14 -1.005 -7.284 10.310 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.518 -7.332 10.167 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.600 -6.398 11.479 1.00 0.00 C ATOM 0 H VAL A 14 -1.250 -9.858 8.939 1.00 0.00 H new ATOM 0 HA VAL A 14 0.589 -8.631 10.858 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.591 -6.855 9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.904 -6.320 10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.782 -7.931 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.954 -7.780 11.060 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.012 -5.399 11.338 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.984 -6.822 12.407 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.487 -6.338 11.530 1.00 0.00 H new ATOM 224 N GLY A 15 -1.034 -9.208 12.781 1.00 0.00 N ATOM 225 CA GLY A 15 -1.787 -9.873 13.829 1.00 0.00 C ATOM 226 C GLY A 15 -0.941 -10.167 15.052 1.00 0.00 C ATOM 227 O GLY A 15 -0.885 -11.306 15.518 1.00 0.00 O ATOM 0 H GLY A 15 -0.323 -8.556 13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.632 -9.248 14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.197 -10.806 13.442 1.00 0.00 H new ATOM 231 N LEU A 16 -0.281 -9.139 15.574 1.00 0.00 N ATOM 232 CA LEU A 16 0.568 -9.293 16.750 1.00 0.00 C ATOM 233 C LEU A 16 0.234 -8.242 17.804 1.00 0.00 C ATOM 234 O LEU A 16 0.971 -7.274 17.985 1.00 0.00 O ATOM 235 CB LEU A 16 2.042 -9.187 16.357 1.00 0.00 C ATOM 236 CG LEU A 16 2.734 -10.498 15.984 1.00 0.00 C ATOM 237 CD1 LEU A 16 1.978 -11.202 14.868 1.00 0.00 C ATOM 238 CD2 LEU A 16 4.177 -10.242 15.574 1.00 0.00 C ATOM 0 H LEU A 16 -0.317 -8.190 15.202 1.00 0.00 H new ATOM 0 HA LEU A 16 0.382 -10.279 17.175 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.124 -8.503 15.512 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.587 -8.735 17.186 1.00 0.00 H new ATOM 0 HG LEU A 16 2.736 -11.147 16.860 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.485 -12.133 14.616 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.962 -11.420 15.198 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.944 -10.558 13.989 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.654 -11.186 15.312 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.198 -9.574 14.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.715 -9.782 16.403 1.00 0.00 H new ATOM 250 N TRP A 17 -0.881 -8.442 18.498 1.00 0.00 N ATOM 251 CA TRP A 17 -1.312 -7.512 19.536 1.00 0.00 C ATOM 252 C TRP A 17 -0.146 -7.126 20.439 1.00 0.00 C ATOM 253 O TRP A 17 0.870 -7.820 20.488 1.00 0.00 O ATOM 254 CB TRP A 17 -2.435 -8.131 20.369 1.00 0.00 C ATOM 255 CG TRP A 17 -3.740 -8.218 19.636 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.578 -7.184 19.329 1.00 0.00 C ATOM 257 CD2 TRP A 17 -4.356 -9.403 19.121 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.678 -7.655 18.654 1.00 0.00 N ATOM 259 CE2 TRP A 17 -5.566 -9.013 18.513 1.00 0.00 C ATOM 260 CE3 TRP A 17 -4.004 -10.755 19.113 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -6.422 -9.927 17.905 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -4.855 -11.661 18.509 1.00 0.00 C ATOM 263 CH2 TRP A 17 -6.052 -11.245 17.911 1.00 0.00 C ATOM 0 H TRP A 17 -1.503 -9.239 18.361 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.684 -6.610 19.050 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.136 -9.131 20.683 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.574 -7.540 21.275 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.402 -6.148 19.580 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.453 -7.086 18.313 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.083 -11.086 19.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -7.345 -9.608 17.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.593 -12.709 18.498 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.695 -11.978 17.446 1.00 0.00 H new ATOM 274 N ASP A 18 -0.298 -6.016 21.152 1.00 0.00 N ATOM 275 CA ASP A 18 0.743 -5.538 22.055 1.00 0.00 C ATOM 276 C ASP A 18 1.239 -6.665 22.956 1.00 0.00 C ATOM 277 O ASP A 18 0.585 -7.025 23.935 1.00 0.00 O ATOM 278 CB ASP A 18 0.218 -4.381 22.906 1.00 0.00 C ATOM 279 CG ASP A 18 -1.088 -4.718 23.599 1.00 0.00 C ATOM 280 OD1 ASP A 18 -2.148 -4.618 22.948 1.00 0.00 O ATOM 281 OD2 ASP A 18 -1.049 -5.081 24.794 1.00 0.00 O ATOM 0 H ASP A 18 -1.132 -5.430 21.122 1.00 0.00 H new ATOM 0 HA ASP A 18 1.579 -5.184 21.452 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.965 -4.116 23.654 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.075 -3.505 22.274 1.00 0.00 H new ATOM 286 N PHE A 19 2.399 -7.218 22.618 1.00 0.00 N ATOM 287 CA PHE A 19 2.982 -8.305 23.396 1.00 0.00 C ATOM 288 C PHE A 19 4.507 -8.256 23.341 1.00 0.00 C ATOM 289 O PHE A 19 5.104 -8.345 22.268 1.00 0.00 O ATOM 290 CB PHE A 19 2.485 -9.656 22.876 1.00 0.00 C ATOM 291 CG PHE A 19 2.507 -10.742 23.913 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.709 -11.212 24.418 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.326 -11.293 24.384 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.732 -12.212 25.371 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.343 -12.293 25.338 1.00 0.00 C ATOM 296 CZ PHE A 19 2.548 -12.752 25.833 1.00 0.00 C ATOM 0 H PHE A 19 2.954 -6.932 21.811 1.00 0.00 H new ATOM 0 HA PHE A 19 2.669 -8.185 24.433 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.467 -9.541 22.504 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.102 -9.960 22.030 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.638 -10.792 24.063 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.381 -10.937 24.001 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.676 -12.571 25.754 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.415 -12.715 25.696 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.564 -13.532 26.580 1.00 0.00 H new ATOM 306 N LYS A 20 5.130 -8.114 24.505 1.00 0.00 N ATOM 307 CA LYS A 20 6.584 -8.053 24.593 1.00 0.00 C ATOM 308 C LYS A 20 7.132 -9.235 25.386 1.00 0.00 C ATOM 309 O LYS A 20 7.100 -9.237 26.617 1.00 0.00 O ATOM 310 CB LYS A 20 7.022 -6.740 25.246 1.00 0.00 C ATOM 311 CG LYS A 20 6.417 -5.507 24.598 1.00 0.00 C ATOM 312 CD LYS A 20 6.731 -5.446 23.112 1.00 0.00 C ATOM 313 CE LYS A 20 7.221 -4.066 22.702 1.00 0.00 C ATOM 314 NZ LYS A 20 6.286 -2.993 23.141 1.00 0.00 N ATOM 0 H LYS A 20 4.650 -8.039 25.402 1.00 0.00 H new ATOM 0 HA LYS A 20 6.986 -8.100 23.581 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.746 -6.759 26.300 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.109 -6.667 25.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.337 -5.512 24.742 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.800 -4.612 25.089 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.490 -6.190 22.869 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.839 -5.701 22.540 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.206 -3.888 23.132 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.335 -4.028 21.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.357 -2.183 22.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.312 -3.357 23.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.535 -2.688 24.104 1.00 0.00 H new ATOM 328 N SER A 21 7.634 -10.238 24.674 1.00 0.00 N ATOM 329 CA SER A 21 8.187 -11.427 25.312 1.00 0.00 C ATOM 330 C SER A 21 9.656 -11.221 25.666 1.00 0.00 C ATOM 331 O SER A 21 10.177 -10.109 25.576 1.00 0.00 O ATOM 332 CB SER A 21 8.038 -12.641 24.392 1.00 0.00 C ATOM 333 OG SER A 21 7.564 -13.768 25.108 1.00 0.00 O ATOM 0 H SER A 21 7.669 -10.251 23.655 1.00 0.00 H new ATOM 0 HA SER A 21 7.632 -11.606 26.233 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.348 -12.405 23.582 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.999 -12.875 23.935 1.00 0.00 H new ATOM 0 HG SER A 21 6.732 -14.088 24.701 1.00 0.00 H new ATOM 339 N ARG A 22 10.318 -12.300 26.071 1.00 0.00 N ATOM 340 CA ARG A 22 11.727 -12.238 26.441 1.00 0.00 C ATOM 341 C ARG A 22 12.494 -13.424 25.862 1.00 0.00 C ATOM 342 O ARG A 22 13.532 -13.823 26.390 1.00 0.00 O ATOM 343 CB ARG A 22 11.876 -12.214 27.963 1.00 0.00 C ATOM 344 CG ARG A 22 11.518 -13.532 28.630 1.00 0.00 C ATOM 345 CD ARG A 22 10.480 -13.339 29.724 1.00 0.00 C ATOM 346 NE ARG A 22 10.693 -14.246 30.848 1.00 0.00 N ATOM 347 CZ ARG A 22 9.780 -14.487 31.782 1.00 0.00 C ATOM 348 NH1 ARG A 22 8.597 -13.891 31.727 1.00 0.00 N ATOM 349 NH2 ARG A 22 10.049 -15.326 32.774 1.00 0.00 N ATOM 0 H ARG A 22 9.901 -13.228 26.151 1.00 0.00 H new ATOM 0 HA ARG A 22 12.145 -11.320 26.028 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.905 -11.956 28.215 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.241 -11.426 28.370 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.135 -14.227 27.883 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.416 -13.982 29.054 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.514 -12.309 30.078 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.484 -13.501 29.311 1.00 0.00 H new ATOM 0 HE ARG A 22 11.593 -14.721 30.920 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.386 -13.245 30.966 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.898 -14.078 32.446 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.958 -15.787 32.820 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.347 -15.510 33.491 1.00 0.00 H new ATOM 363 N THR A 23 11.974 -13.984 24.774 1.00 0.00 N ATOM 364 CA THR A 23 12.608 -15.125 24.125 1.00 0.00 C ATOM 365 C THR A 23 12.399 -15.084 22.615 1.00 0.00 C ATOM 366 O THR A 23 11.427 -14.506 22.129 1.00 0.00 O ATOM 367 CB THR A 23 12.062 -16.457 24.672 1.00 0.00 C ATOM 368 OG1 THR A 23 10.796 -16.244 25.306 1.00 0.00 O ATOM 369 CG2 THR A 23 13.036 -17.074 25.665 1.00 0.00 C ATOM 0 H THR A 23 11.116 -13.666 24.324 1.00 0.00 H new ATOM 0 HA THR A 23 13.674 -15.061 24.343 1.00 0.00 H new ATOM 0 HB THR A 23 11.937 -17.144 23.835 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.455 -17.096 25.650 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.629 -18.014 26.038 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.989 -17.262 25.171 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.189 -16.389 26.499 1.00 0.00 H new ATOM 377 N ASP A 24 13.315 -15.702 21.879 1.00 0.00 N ATOM 378 CA ASP A 24 13.230 -15.738 20.424 1.00 0.00 C ATOM 379 C ASP A 24 11.935 -16.406 19.972 1.00 0.00 C ATOM 380 O ASP A 24 11.476 -16.194 18.850 1.00 0.00 O ATOM 381 CB ASP A 24 14.432 -16.482 19.839 1.00 0.00 C ATOM 382 CG ASP A 24 15.739 -16.068 20.486 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.901 -14.865 20.781 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.600 -16.947 20.699 1.00 0.00 O ATOM 0 H ASP A 24 14.126 -16.185 22.266 1.00 0.00 H new ATOM 0 HA ASP A 24 13.236 -14.711 20.059 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.290 -17.555 19.968 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.485 -16.294 18.767 1.00 0.00 H new ATOM 389 N GLU A 25 11.352 -17.212 20.853 1.00 0.00 N ATOM 390 CA GLU A 25 10.111 -17.912 20.543 1.00 0.00 C ATOM 391 C GLU A 25 8.977 -16.922 20.290 1.00 0.00 C ATOM 392 O GLU A 25 7.946 -17.277 19.720 1.00 0.00 O ATOM 393 CB GLU A 25 9.732 -18.857 21.685 1.00 0.00 C ATOM 394 CG GLU A 25 10.896 -19.690 22.197 1.00 0.00 C ATOM 395 CD GLU A 25 10.453 -20.796 23.135 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.253 -20.840 23.477 1.00 0.00 O ATOM 397 OE2 GLU A 25 11.308 -21.618 23.526 1.00 0.00 O ATOM 0 H GLU A 25 11.719 -17.397 21.787 1.00 0.00 H new ATOM 0 HA GLU A 25 10.270 -18.496 19.637 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.324 -18.272 22.509 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.940 -19.524 21.346 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.425 -20.127 21.350 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.603 -19.041 22.714 1.00 0.00 H new ATOM 404 N GLU A 26 9.177 -15.680 20.719 1.00 0.00 N ATOM 405 CA GLU A 26 8.171 -14.640 20.541 1.00 0.00 C ATOM 406 C GLU A 26 8.817 -13.326 20.111 1.00 0.00 C ATOM 407 O GLU A 26 10.006 -13.102 20.340 1.00 0.00 O ATOM 408 CB GLU A 26 7.383 -14.434 21.836 1.00 0.00 C ATOM 409 CG GLU A 26 6.196 -15.372 21.983 1.00 0.00 C ATOM 410 CD GLU A 26 5.018 -14.718 22.678 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.366 -13.855 22.053 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.747 -15.068 23.845 1.00 0.00 O ATOM 0 H GLU A 26 10.026 -15.370 21.192 1.00 0.00 H new ATOM 0 HA GLU A 26 7.487 -14.963 19.756 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.053 -14.573 22.685 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.028 -13.404 21.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.886 -15.716 20.997 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.502 -16.253 22.547 1.00 0.00 H new ATOM 419 N LEU A 27 8.025 -12.461 19.487 1.00 0.00 N ATOM 420 CA LEU A 27 8.519 -11.168 19.024 1.00 0.00 C ATOM 421 C LEU A 27 8.157 -10.062 20.010 1.00 0.00 C ATOM 422 O LEU A 27 7.199 -10.186 20.774 1.00 0.00 O ATOM 423 CB LEU A 27 7.944 -10.846 17.644 1.00 0.00 C ATOM 424 CG LEU A 27 7.785 -12.030 16.690 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.381 -12.606 16.784 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.096 -11.608 15.261 1.00 0.00 C ATOM 0 H LEU A 27 7.039 -12.631 19.290 1.00 0.00 H new ATOM 0 HA LEU A 27 9.605 -11.225 18.954 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.968 -10.380 17.779 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.587 -10.106 17.168 1.00 0.00 H new ATOM 0 HG LEU A 27 8.494 -12.805 16.981 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.286 -13.448 16.098 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.194 -12.945 17.803 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.654 -11.838 16.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.978 -12.463 14.595 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.412 -10.815 14.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.122 -11.243 15.204 1.00 0.00 H new ATOM 438 N SER A 28 8.928 -8.980 19.986 1.00 0.00 N ATOM 439 CA SER A 28 8.689 -7.851 20.879 1.00 0.00 C ATOM 440 C SER A 28 8.233 -6.625 20.094 1.00 0.00 C ATOM 441 O SER A 28 9.030 -5.737 19.790 1.00 0.00 O ATOM 442 CB SER A 28 9.957 -7.523 21.670 1.00 0.00 C ATOM 443 OG SER A 28 11.033 -7.212 20.802 1.00 0.00 O ATOM 0 H SER A 28 9.723 -8.861 19.359 1.00 0.00 H new ATOM 0 HA SER A 28 7.897 -8.130 21.575 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.767 -6.681 22.335 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.227 -8.371 22.299 1.00 0.00 H new ATOM 0 HG SER A 28 10.758 -6.507 20.180 1.00 0.00 H new ATOM 449 N PHE A 29 6.945 -6.583 19.769 1.00 0.00 N ATOM 450 CA PHE A 29 6.382 -5.467 19.019 1.00 0.00 C ATOM 451 C PHE A 29 4.868 -5.399 19.200 1.00 0.00 C ATOM 452 O PHE A 29 4.242 -6.361 19.644 1.00 0.00 O ATOM 453 CB PHE A 29 6.724 -5.599 17.534 1.00 0.00 C ATOM 454 CG PHE A 29 7.279 -4.339 16.932 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.639 -4.076 16.976 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.442 -3.419 16.323 1.00 0.00 C ATOM 457 CE1 PHE A 29 9.152 -2.917 16.425 1.00 0.00 C ATOM 458 CE2 PHE A 29 6.950 -2.259 15.769 1.00 0.00 C ATOM 459 CZ PHE A 29 8.307 -2.008 15.819 1.00 0.00 C ATOM 0 H PHE A 29 6.272 -7.309 20.013 1.00 0.00 H new ATOM 0 HA PHE A 29 6.818 -4.545 19.405 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.449 -6.403 17.406 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.827 -5.889 16.987 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.305 -4.784 17.446 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.380 -3.610 16.280 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.213 -2.722 16.468 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.286 -1.550 15.297 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.707 -1.103 15.385 1.00 0.00 H new ATOM 469 N ARG A 30 4.288 -4.255 18.853 1.00 0.00 N ATOM 470 CA ARG A 30 2.848 -4.060 18.978 1.00 0.00 C ATOM 471 C ARG A 30 2.139 -4.388 17.668 1.00 0.00 C ATOM 472 O ARG A 30 2.778 -4.551 16.629 1.00 0.00 O ATOM 473 CB ARG A 30 2.541 -2.619 19.389 1.00 0.00 C ATOM 474 CG ARG A 30 2.878 -1.595 18.318 1.00 0.00 C ATOM 475 CD ARG A 30 2.568 -0.180 18.781 1.00 0.00 C ATOM 476 NE ARG A 30 1.156 -0.012 19.118 1.00 0.00 N ATOM 477 CZ ARG A 30 0.647 1.112 19.610 1.00 0.00 C ATOM 478 NH1 ARG A 30 1.430 2.161 19.822 1.00 0.00 N ATOM 479 NH2 ARG A 30 -0.647 1.188 19.891 1.00 0.00 N ATOM 0 H ARG A 30 4.792 -3.449 18.483 1.00 0.00 H new ATOM 0 HA ARG A 30 2.481 -4.737 19.749 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.483 -2.538 19.636 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.099 -2.382 20.295 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.934 -1.671 18.060 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.312 -1.815 17.413 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.179 0.059 19.651 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.840 0.526 17.996 1.00 0.00 H new ATOM 0 HE ARG A 30 0.527 -0.801 18.967 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.426 2.106 19.607 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.037 3.023 20.200 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.252 0.383 19.729 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.037 2.051 20.269 1.00 0.00 H new ATOM 493 N ALA A 31 0.815 -4.485 17.725 1.00 0.00 N ATOM 494 CA ALA A 31 0.019 -4.793 16.544 1.00 0.00 C ATOM 495 C ALA A 31 0.028 -3.629 15.558 1.00 0.00 C ATOM 496 O ALA A 31 0.475 -2.530 15.884 1.00 0.00 O ATOM 497 CB ALA A 31 -1.408 -5.137 16.943 1.00 0.00 C ATOM 0 H ALA A 31 0.271 -4.355 18.578 1.00 0.00 H new ATOM 0 HA ALA A 31 0.465 -5.657 16.051 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.991 -5.365 16.050 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.402 -6.004 17.603 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.855 -4.289 17.462 1.00 0.00 H new ATOM 503 N GLY A 32 -0.469 -3.879 14.350 1.00 0.00 N ATOM 504 CA GLY A 32 -0.508 -2.842 13.335 1.00 0.00 C ATOM 505 C GLY A 32 0.716 -2.860 12.441 1.00 0.00 C ATOM 506 O GLY A 32 0.667 -2.398 11.301 1.00 0.00 O ATOM 0 H GLY A 32 -0.845 -4.781 14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.402 -2.969 12.724 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.587 -1.868 13.818 1.00 0.00 H new ATOM 510 N ASP A 33 1.817 -3.393 12.958 1.00 0.00 N ATOM 511 CA ASP A 33 3.060 -3.468 12.199 1.00 0.00 C ATOM 512 C ASP A 33 2.998 -4.590 11.166 1.00 0.00 C ATOM 513 O ASP A 33 2.253 -5.556 11.328 1.00 0.00 O ATOM 514 CB ASP A 33 4.245 -3.690 13.140 1.00 0.00 C ATOM 515 CG ASP A 33 5.112 -2.454 13.280 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.592 -1.412 13.733 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.310 -2.528 12.938 1.00 0.00 O ATOM 0 H ASP A 33 1.874 -3.780 13.900 1.00 0.00 H new ATOM 0 HA ASP A 33 3.195 -2.522 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.875 -3.984 14.122 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.851 -4.516 12.767 1.00 0.00 H new ATOM 522 N VAL A 34 3.786 -4.453 10.104 1.00 0.00 N ATOM 523 CA VAL A 34 3.821 -5.454 9.045 1.00 0.00 C ATOM 524 C VAL A 34 4.890 -6.507 9.318 1.00 0.00 C ATOM 525 O VAL A 34 5.972 -6.193 9.815 1.00 0.00 O ATOM 526 CB VAL A 34 4.091 -4.810 7.672 1.00 0.00 C ATOM 527 CG1 VAL A 34 3.036 -3.759 7.359 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.485 -4.204 7.633 1.00 0.00 C ATOM 0 H VAL A 34 4.408 -3.659 9.955 1.00 0.00 H new ATOM 0 HA VAL A 34 2.841 -5.931 9.029 1.00 0.00 H new ATOM 0 HB VAL A 34 4.035 -5.586 6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.243 -3.315 6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.051 -4.226 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.057 -2.983 8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.659 -3.754 6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.571 -3.440 8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.226 -4.984 7.810 1.00 0.00 H new ATOM 538 N PHE A 35 4.579 -7.756 8.991 1.00 0.00 N ATOM 539 CA PHE A 35 5.513 -8.857 9.202 1.00 0.00 C ATOM 540 C PHE A 35 5.589 -9.749 7.966 1.00 0.00 C ATOM 541 O PHE A 35 4.738 -9.675 7.079 1.00 0.00 O ATOM 542 CB PHE A 35 5.092 -9.685 10.418 1.00 0.00 C ATOM 543 CG PHE A 35 4.484 -8.865 11.520 1.00 0.00 C ATOM 544 CD1 PHE A 35 5.199 -7.836 12.111 1.00 0.00 C ATOM 545 CD2 PHE A 35 3.198 -9.124 11.965 1.00 0.00 C ATOM 546 CE1 PHE A 35 4.643 -7.080 13.125 1.00 0.00 C ATOM 547 CE2 PHE A 35 2.636 -8.371 12.978 1.00 0.00 C ATOM 548 CZ PHE A 35 3.360 -7.348 13.560 1.00 0.00 C ATOM 0 H PHE A 35 3.688 -8.032 8.579 1.00 0.00 H new ATOM 0 HA PHE A 35 6.501 -8.434 9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.375 -10.442 10.101 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.962 -10.213 10.807 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.203 -7.622 11.775 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.628 -9.924 11.515 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.211 -6.280 13.577 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.632 -8.582 13.315 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.923 -6.759 14.353 1.00 0.00 H new ATOM 558 N HIS A 36 6.615 -10.593 7.916 1.00 0.00 N ATOM 559 CA HIS A 36 6.804 -11.500 6.790 1.00 0.00 C ATOM 560 C HIS A 36 7.260 -12.875 7.270 1.00 0.00 C ATOM 561 O HIS A 36 8.008 -12.987 8.241 1.00 0.00 O ATOM 562 CB HIS A 36 7.827 -10.925 5.809 1.00 0.00 C ATOM 563 CG HIS A 36 7.229 -9.996 4.797 1.00 0.00 C ATOM 564 ND1 HIS A 36 7.926 -8.948 4.233 1.00 0.00 N ATOM 565 CD2 HIS A 36 5.993 -9.964 4.246 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.144 -8.310 3.381 1.00 0.00 C ATOM 567 NE2 HIS A 36 5.965 -8.907 3.370 1.00 0.00 N ATOM 0 H HIS A 36 7.328 -10.667 8.642 1.00 0.00 H new ATOM 0 HA HIS A 36 5.846 -11.611 6.281 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.596 -10.393 6.369 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.321 -11.746 5.289 1.00 0.00 H new ATOM 0 HD1 HIS A 36 8.894 -8.704 4.441 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.180 -10.643 4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.421 -7.447 2.793 1.00 0.00 H new ATOM 575 N VAL A 37 6.804 -13.918 6.584 1.00 0.00 N ATOM 576 CA VAL A 37 7.165 -15.284 6.940 1.00 0.00 C ATOM 577 C VAL A 37 8.465 -15.704 6.264 1.00 0.00 C ATOM 578 O VAL A 37 8.609 -15.588 5.047 1.00 0.00 O ATOM 579 CB VAL A 37 6.054 -16.278 6.552 1.00 0.00 C ATOM 580 CG1 VAL A 37 6.363 -17.664 7.097 1.00 0.00 C ATOM 581 CG2 VAL A 37 4.703 -15.788 7.053 1.00 0.00 C ATOM 0 H VAL A 37 6.183 -13.842 5.778 1.00 0.00 H new ATOM 0 HA VAL A 37 7.299 -15.303 8.022 1.00 0.00 H new ATOM 0 HB VAL A 37 6.012 -16.343 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.567 -18.352 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.310 -18.014 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.434 -17.620 8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.929 -16.502 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.730 -15.693 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.481 -14.817 6.609 1.00 0.00 H new ATOM 591 N ALA A 38 9.410 -16.191 7.061 1.00 0.00 N ATOM 592 CA ALA A 38 10.699 -16.630 6.539 1.00 0.00 C ATOM 593 C ALA A 38 10.748 -18.148 6.406 1.00 0.00 C ATOM 594 O ALA A 38 11.463 -18.683 5.558 1.00 0.00 O ATOM 595 CB ALA A 38 11.826 -16.139 7.435 1.00 0.00 C ATOM 0 H ALA A 38 9.308 -16.292 8.071 1.00 0.00 H new ATOM 0 HA ALA A 38 10.827 -16.200 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.782 -16.474 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.811 -15.050 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.694 -16.541 8.440 1.00 0.00 H new ATOM 601 N ARG A 39 9.986 -18.837 7.248 1.00 0.00 N ATOM 602 CA ARG A 39 9.945 -20.294 7.226 1.00 0.00 C ATOM 603 C ARG A 39 8.529 -20.802 7.481 1.00 0.00 C ATOM 604 O ARG A 39 7.867 -20.379 8.429 1.00 0.00 O ATOM 605 CB ARG A 39 10.901 -20.868 8.273 1.00 0.00 C ATOM 606 CG ARG A 39 12.283 -21.186 7.726 1.00 0.00 C ATOM 607 CD ARG A 39 13.227 -20.003 7.877 1.00 0.00 C ATOM 608 NE ARG A 39 14.616 -20.427 8.032 1.00 0.00 N ATOM 609 CZ ARG A 39 15.101 -20.962 9.147 1.00 0.00 C ATOM 610 NH1 ARG A 39 14.313 -21.138 10.198 1.00 0.00 N ATOM 611 NH2 ARG A 39 16.376 -21.323 9.211 1.00 0.00 N ATOM 0 H ARG A 39 9.388 -18.409 7.955 1.00 0.00 H new ATOM 0 HA ARG A 39 10.259 -20.627 6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.999 -20.156 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.467 -21.777 8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.693 -22.049 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.205 -21.459 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.141 -19.357 7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.930 -19.411 8.742 1.00 0.00 H new ATOM 0 HE ARG A 39 15.248 -20.306 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.332 -20.862 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.688 -21.549 11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.985 -21.190 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.747 -21.734 10.068 1.00 0.00 H new ATOM 625 N LYS A 40 8.070 -21.711 6.628 1.00 0.00 N ATOM 626 CA LYS A 40 6.733 -22.279 6.760 1.00 0.00 C ATOM 627 C LYS A 40 6.799 -23.707 7.291 1.00 0.00 C ATOM 628 O LYS A 40 7.301 -24.606 6.617 1.00 0.00 O ATOM 629 CB LYS A 40 6.012 -22.257 5.411 1.00 0.00 C ATOM 630 CG LYS A 40 6.855 -22.782 4.262 1.00 0.00 C ATOM 631 CD LYS A 40 6.094 -22.740 2.947 1.00 0.00 C ATOM 632 CE LYS A 40 4.879 -23.654 2.978 1.00 0.00 C ATOM 633 NZ LYS A 40 4.148 -23.649 1.680 1.00 0.00 N ATOM 0 H LYS A 40 8.604 -22.071 5.837 1.00 0.00 H new ATOM 0 HA LYS A 40 6.175 -21.671 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.102 -22.853 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.706 -21.235 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.765 -22.188 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.162 -23.806 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.777 -21.718 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.755 -23.038 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.195 -24.670 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.206 -23.337 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.327 -24.284 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.824 -22.684 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.782 -23.976 0.923 1.00 0.00 H new ATOM 647 N GLU A 41 6.286 -23.909 8.501 1.00 0.00 N ATOM 648 CA GLU A 41 6.287 -25.229 9.120 1.00 0.00 C ATOM 649 C GLU A 41 4.871 -25.792 9.203 1.00 0.00 C ATOM 650 O GLU A 41 3.892 -25.049 9.132 1.00 0.00 O ATOM 651 CB GLU A 41 6.903 -25.160 10.519 1.00 0.00 C ATOM 652 CG GLU A 41 7.800 -26.342 10.848 1.00 0.00 C ATOM 653 CD GLU A 41 8.918 -26.523 9.841 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.311 -25.523 9.205 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.401 -27.664 9.689 1.00 0.00 O ATOM 0 H GLU A 41 5.865 -23.176 9.071 1.00 0.00 H new ATOM 0 HA GLU A 41 6.888 -25.893 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.481 -24.240 10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.103 -25.105 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.229 -26.203 11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.199 -27.250 10.885 1.00 0.00 H new ATOM 662 N GLU A 42 4.772 -27.109 9.352 1.00 0.00 N ATOM 663 CA GLU A 42 3.476 -27.772 9.443 1.00 0.00 C ATOM 664 C GLU A 42 2.823 -27.505 10.796 1.00 0.00 C ATOM 665 O GLU A 42 1.628 -27.739 10.975 1.00 0.00 O ATOM 666 CB GLU A 42 3.633 -29.278 9.227 1.00 0.00 C ATOM 667 CG GLU A 42 4.291 -29.995 10.394 1.00 0.00 C ATOM 668 CD GLU A 42 4.373 -31.495 10.187 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.646 -32.014 9.314 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.165 -32.149 10.897 1.00 0.00 O ATOM 0 H GLU A 42 5.573 -27.738 9.412 1.00 0.00 H new ATOM 0 HA GLU A 42 2.832 -27.366 8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.650 -29.716 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.224 -29.448 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.295 -29.597 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.730 -29.788 11.305 1.00 0.00 H new ATOM 677 N GLN A 43 3.616 -27.016 11.743 1.00 0.00 N ATOM 678 CA GLN A 43 3.115 -26.719 13.080 1.00 0.00 C ATOM 679 C GLN A 43 2.954 -25.216 13.280 1.00 0.00 C ATOM 680 O GLN A 43 1.838 -24.695 13.273 1.00 0.00 O ATOM 681 CB GLN A 43 4.060 -27.288 14.140 1.00 0.00 C ATOM 682 CG GLN A 43 4.140 -28.806 14.131 1.00 0.00 C ATOM 683 CD GLN A 43 4.483 -29.380 15.491 1.00 0.00 C ATOM 684 OE1 GLN A 43 3.724 -29.232 16.450 1.00 0.00 O ATOM 685 NE2 GLN A 43 5.631 -30.042 15.583 1.00 0.00 N ATOM 0 H GLN A 43 4.608 -26.817 11.610 1.00 0.00 H new ATOM 0 HA GLN A 43 2.137 -27.188 13.186 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.058 -26.879 13.983 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.731 -26.956 15.124 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.186 -29.214 13.799 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.891 -29.122 13.407 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.230 -30.141 14.763 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.914 -30.451 16.473 1.00 0.00 H new ATOM 694 N TRP A 44 4.074 -24.525 13.458 1.00 0.00 N ATOM 695 CA TRP A 44 4.056 -23.080 13.661 1.00 0.00 C ATOM 696 C TRP A 44 4.712 -22.359 12.489 1.00 0.00 C ATOM 697 O TRP A 44 5.511 -22.943 11.757 1.00 0.00 O ATOM 698 CB TRP A 44 4.772 -22.719 14.963 1.00 0.00 C ATOM 699 CG TRP A 44 4.320 -23.535 16.136 1.00 0.00 C ATOM 700 CD1 TRP A 44 5.111 -24.235 17.002 1.00 0.00 C ATOM 701 CD2 TRP A 44 2.970 -23.739 16.569 1.00 0.00 C ATOM 702 NE1 TRP A 44 4.335 -24.860 17.948 1.00 0.00 N ATOM 703 CE2 TRP A 44 3.018 -24.571 17.705 1.00 0.00 C ATOM 704 CE3 TRP A 44 1.726 -23.297 16.110 1.00 0.00 C ATOM 705 CZ2 TRP A 44 1.870 -24.970 18.384 1.00 0.00 C ATOM 706 CZ3 TRP A 44 0.588 -23.693 16.786 1.00 0.00 C ATOM 707 CH2 TRP A 44 0.666 -24.522 17.913 1.00 0.00 C ATOM 0 H TRP A 44 5.005 -24.941 13.466 1.00 0.00 H new ATOM 0 HA TRP A 44 3.016 -22.759 13.725 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.845 -22.853 14.828 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.607 -21.663 15.179 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.188 -24.289 16.951 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.683 -25.444 18.708 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.656 -22.657 15.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.928 -25.610 19.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.379 -23.358 16.440 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.242 -24.813 18.420 1.00 0.00 H new ATOM 718 N TRP A 45 4.370 -21.087 12.317 1.00 0.00 N ATOM 719 CA TRP A 45 4.927 -20.286 11.233 1.00 0.00 C ATOM 720 C TRP A 45 5.979 -19.316 11.758 1.00 0.00 C ATOM 721 O TRP A 45 5.745 -18.599 12.730 1.00 0.00 O ATOM 722 CB TRP A 45 3.815 -19.515 10.518 1.00 0.00 C ATOM 723 CG TRP A 45 3.318 -20.199 9.281 1.00 0.00 C ATOM 724 CD1 TRP A 45 4.013 -20.409 8.125 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.017 -20.761 9.077 1.00 0.00 C ATOM 726 NE1 TRP A 45 3.223 -21.068 7.214 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.994 -21.296 7.774 1.00 0.00 C ATOM 728 CE3 TRP A 45 0.870 -20.867 9.869 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.869 -21.925 7.248 1.00 0.00 C ATOM 730 CZ3 TRP A 45 -0.246 -21.490 9.345 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.240 -22.014 8.045 1.00 0.00 C ATOM 0 H TRP A 45 3.710 -20.588 12.914 1.00 0.00 H new ATOM 0 HA TRP A 45 5.405 -20.961 10.524 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.981 -19.373 11.206 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.182 -18.524 10.253 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.034 -20.102 7.952 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.506 -21.343 6.273 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.857 -20.469 10.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.871 -22.329 6.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.138 -21.575 9.947 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.128 -22.497 7.665 1.00 0.00 H new ATOM 742 N TRP A 46 7.137 -19.299 11.108 1.00 0.00 N ATOM 743 CA TRP A 46 8.226 -18.415 11.511 1.00 0.00 C ATOM 744 C TRP A 46 8.029 -17.014 10.942 1.00 0.00 C ATOM 745 O TRP A 46 7.889 -16.840 9.732 1.00 0.00 O ATOM 746 CB TRP A 46 9.569 -18.983 11.048 1.00 0.00 C ATOM 747 CG TRP A 46 9.896 -20.310 11.663 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.251 -21.494 11.449 1.00 0.00 C ATOM 749 CD2 TRP A 46 10.948 -20.587 12.594 1.00 0.00 C ATOM 750 NE1 TRP A 46 9.838 -22.491 12.191 1.00 0.00 N ATOM 751 CE2 TRP A 46 10.882 -21.960 12.901 1.00 0.00 C ATOM 752 CE3 TRP A 46 11.941 -19.809 13.196 1.00 0.00 C ATOM 753 CZ2 TRP A 46 11.770 -22.568 13.784 1.00 0.00 C ATOM 754 CZ3 TRP A 46 12.821 -20.415 14.072 1.00 0.00 C ATOM 755 CH2 TRP A 46 12.732 -21.783 14.359 1.00 0.00 C ATOM 0 H TRP A 46 7.347 -19.886 10.301 1.00 0.00 H new ATOM 0 HA TRP A 46 8.223 -18.348 12.599 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.557 -19.086 9.963 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.359 -18.273 11.292 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.404 -21.628 10.793 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.544 -23.468 12.210 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.019 -18.754 12.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.702 -23.622 14.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.591 -19.823 14.544 1.00 0.00 H new ATOM 0 HH2 TRP A 46 13.436 -22.227 15.047 1.00 0.00 H new ATOM 766 N ALA A 47 8.020 -16.019 11.822 1.00 0.00 N ATOM 767 CA ALA A 47 7.842 -14.633 11.406 1.00 0.00 C ATOM 768 C ALA A 47 9.121 -13.829 11.615 1.00 0.00 C ATOM 769 O ALA A 47 9.940 -14.157 12.474 1.00 0.00 O ATOM 770 CB ALA A 47 6.687 -13.998 12.166 1.00 0.00 C ATOM 0 H ALA A 47 8.134 -16.146 12.828 1.00 0.00 H new ATOM 0 HA ALA A 47 7.609 -14.626 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.566 -12.963 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.770 -14.551 11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.897 -14.024 13.235 1.00 0.00 H new ATOM 776 N THR A 48 9.287 -12.774 10.824 1.00 0.00 N ATOM 777 CA THR A 48 10.467 -11.924 10.921 1.00 0.00 C ATOM 778 C THR A 48 10.078 -10.455 11.046 1.00 0.00 C ATOM 779 O THR A 48 9.373 -9.914 10.193 1.00 0.00 O ATOM 780 CB THR A 48 11.387 -12.097 9.698 1.00 0.00 C ATOM 781 OG1 THR A 48 11.680 -13.485 9.498 1.00 0.00 O ATOM 782 CG2 THR A 48 12.683 -11.322 9.881 1.00 0.00 C ATOM 0 H THR A 48 8.619 -12.488 10.109 1.00 0.00 H new ATOM 0 HA THR A 48 11.005 -12.232 11.817 1.00 0.00 H new ATOM 0 HB THR A 48 10.868 -11.705 8.823 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.487 -13.573 8.948 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.316 -11.460 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.459 -10.262 10.004 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.204 -11.688 10.766 1.00 0.00 H new ATOM 790 N LEU A 49 10.541 -9.814 12.113 1.00 0.00 N ATOM 791 CA LEU A 49 10.242 -8.406 12.349 1.00 0.00 C ATOM 792 C LEU A 49 11.147 -7.509 11.511 1.00 0.00 C ATOM 793 O LEU A 49 12.363 -7.476 11.710 1.00 0.00 O ATOM 794 CB LEU A 49 10.406 -8.071 13.833 1.00 0.00 C ATOM 795 CG LEU A 49 9.142 -7.609 14.560 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.772 -6.195 14.140 1.00 0.00 C ATOM 797 CD2 LEU A 49 7.991 -8.567 14.290 1.00 0.00 C ATOM 0 H LEU A 49 11.125 -10.247 12.829 1.00 0.00 H new ATOM 0 HA LEU A 49 9.208 -8.225 12.054 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.793 -8.953 14.344 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.161 -7.291 13.928 1.00 0.00 H new ATOM 0 HG LEU A 49 9.342 -7.607 15.632 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.870 -5.883 14.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.589 -5.517 14.386 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.591 -6.170 13.065 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.100 -8.223 14.815 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.790 -8.602 13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.257 -9.564 14.642 1.00 0.00 H new ATOM 809 N LEU A 50 10.548 -6.781 10.576 1.00 0.00 N ATOM 810 CA LEU A 50 11.299 -5.880 9.708 1.00 0.00 C ATOM 811 C LEU A 50 10.939 -4.425 9.991 1.00 0.00 C ATOM 812 O LEU A 50 9.842 -4.127 10.463 1.00 0.00 O ATOM 813 CB LEU A 50 11.026 -6.209 8.239 1.00 0.00 C ATOM 814 CG LEU A 50 10.527 -7.626 7.950 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.215 -7.790 6.471 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.554 -8.655 8.399 1.00 0.00 C ATOM 0 H LEU A 50 9.544 -6.797 10.399 1.00 0.00 H new ATOM 0 HA LEU A 50 12.360 -6.019 9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.289 -5.501 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.944 -6.046 7.674 1.00 0.00 H new ATOM 0 HG LEU A 50 9.609 -7.790 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.861 -8.804 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.443 -7.077 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.117 -7.607 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.182 -9.657 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.489 -8.493 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.727 -8.553 9.470 1.00 0.00 H new ATOM 828 N ASP A 51 11.869 -3.524 9.696 1.00 0.00 N ATOM 829 CA ASP A 51 11.649 -2.099 9.916 1.00 0.00 C ATOM 830 C ASP A 51 10.645 -1.543 8.911 1.00 0.00 C ATOM 831 O ASP A 51 10.175 -2.260 8.028 1.00 0.00 O ATOM 832 CB ASP A 51 12.970 -1.335 9.811 1.00 0.00 C ATOM 833 CG ASP A 51 13.073 -0.215 10.828 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.838 -0.478 12.026 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.390 0.924 10.426 1.00 0.00 O ATOM 0 H ASP A 51 12.782 -3.754 9.304 1.00 0.00 H new ATOM 0 HA ASP A 51 11.242 -1.970 10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.799 -2.028 9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.068 -0.921 8.808 1.00 0.00 H new ATOM 840 N GLU A 52 10.321 -0.262 9.053 1.00 0.00 N ATOM 841 CA GLU A 52 9.371 0.389 8.158 1.00 0.00 C ATOM 842 C GLU A 52 9.830 0.282 6.706 1.00 0.00 C ATOM 843 O GLU A 52 9.012 0.227 5.788 1.00 0.00 O ATOM 844 CB GLU A 52 9.198 1.859 8.543 1.00 0.00 C ATOM 845 CG GLU A 52 10.455 2.691 8.351 1.00 0.00 C ATOM 846 CD GLU A 52 10.524 3.872 9.300 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.515 4.143 9.985 1.00 0.00 O ATOM 848 OE2 GLU A 52 11.587 4.524 9.358 1.00 0.00 O ATOM 0 H GLU A 52 10.702 0.345 9.779 1.00 0.00 H new ATOM 0 HA GLU A 52 8.412 -0.119 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.393 2.289 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.889 1.919 9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.331 2.059 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.493 3.053 7.323 1.00 0.00 H new ATOM 855 N ALA A 53 11.144 0.256 6.508 1.00 0.00 N ATOM 856 CA ALA A 53 11.712 0.155 5.170 1.00 0.00 C ATOM 857 C ALA A 53 11.648 -1.278 4.652 1.00 0.00 C ATOM 858 O ALA A 53 11.763 -1.520 3.452 1.00 0.00 O ATOM 859 CB ALA A 53 13.150 0.655 5.168 1.00 0.00 C ATOM 0 H ALA A 53 11.835 0.303 7.257 1.00 0.00 H new ATOM 0 HA ALA A 53 11.120 0.781 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.562 0.574 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.173 1.697 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.746 0.052 5.854 1.00 0.00 H new ATOM 865 N GLY A 54 11.464 -2.225 5.567 1.00 0.00 N ATOM 866 CA GLY A 54 11.389 -3.623 5.183 1.00 0.00 C ATOM 867 C GLY A 54 12.612 -4.409 5.611 1.00 0.00 C ATOM 868 O GLY A 54 12.627 -5.636 5.536 1.00 0.00 O ATOM 0 H GLY A 54 11.366 -2.049 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.500 -4.071 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.276 -3.694 4.101 1.00 0.00 H new ATOM 872 N GLY A 55 13.642 -3.699 6.061 1.00 0.00 N ATOM 873 CA GLY A 55 14.862 -4.354 6.495 1.00 0.00 C ATOM 874 C GLY A 55 14.659 -5.190 7.743 1.00 0.00 C ATOM 875 O GLY A 55 14.200 -4.686 8.768 1.00 0.00 O ATOM 0 H GLY A 55 13.653 -2.682 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.235 -4.990 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.627 -3.601 6.686 1.00 0.00 H new ATOM 879 N ALA A 56 15.000 -6.472 7.657 1.00 0.00 N ATOM 880 CA ALA A 56 14.853 -7.379 8.789 1.00 0.00 C ATOM 881 C ALA A 56 15.503 -6.803 10.042 1.00 0.00 C ATOM 882 O ALA A 56 16.433 -6.001 9.959 1.00 0.00 O ATOM 883 CB ALA A 56 15.453 -8.737 8.458 1.00 0.00 C ATOM 0 H ALA A 56 15.380 -6.906 6.815 1.00 0.00 H new ATOM 0 HA ALA A 56 13.788 -7.503 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.336 -9.404 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.941 -9.160 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.513 -8.621 8.230 1.00 0.00 H new ATOM 889 N VAL A 57 15.006 -7.216 11.204 1.00 0.00 N ATOM 890 CA VAL A 57 15.539 -6.741 12.476 1.00 0.00 C ATOM 891 C VAL A 57 15.495 -7.838 13.534 1.00 0.00 C ATOM 892 O VAL A 57 16.533 -8.303 14.003 1.00 0.00 O ATOM 893 CB VAL A 57 14.758 -5.516 12.989 1.00 0.00 C ATOM 894 CG1 VAL A 57 15.458 -4.903 14.192 1.00 0.00 C ATOM 895 CG2 VAL A 57 14.589 -4.490 11.879 1.00 0.00 C ATOM 0 H VAL A 57 14.235 -7.878 11.291 1.00 0.00 H new ATOM 0 HA VAL A 57 16.575 -6.453 12.298 1.00 0.00 H new ATOM 0 HB VAL A 57 13.767 -5.843 13.304 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.892 -4.039 14.541 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.522 -5.642 14.991 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.462 -4.588 13.907 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.035 -3.631 12.259 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.570 -4.165 11.532 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.041 -4.938 11.050 1.00 0.00 H new ATOM 905 N ALA A 58 14.286 -8.247 13.904 1.00 0.00 N ATOM 906 CA ALA A 58 14.107 -9.291 14.905 1.00 0.00 C ATOM 907 C ALA A 58 13.539 -10.560 14.279 1.00 0.00 C ATOM 908 O ALA A 58 12.982 -10.526 13.182 1.00 0.00 O ATOM 909 CB ALA A 58 13.199 -8.800 16.023 1.00 0.00 C ATOM 0 H ALA A 58 13.416 -7.871 13.526 1.00 0.00 H new ATOM 0 HA ALA A 58 15.085 -9.530 15.324 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.074 -9.590 16.764 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.645 -7.926 16.497 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.226 -8.532 15.611 1.00 0.00 H new ATOM 915 N GLN A 59 13.685 -11.679 14.982 1.00 0.00 N ATOM 916 CA GLN A 59 13.188 -12.959 14.493 1.00 0.00 C ATOM 917 C GLN A 59 12.400 -13.687 15.577 1.00 0.00 C ATOM 918 O GLN A 59 12.874 -13.847 16.701 1.00 0.00 O ATOM 919 CB GLN A 59 14.349 -13.833 14.016 1.00 0.00 C ATOM 920 CG GLN A 59 15.355 -13.090 13.152 1.00 0.00 C ATOM 921 CD GLN A 59 16.485 -12.485 13.961 1.00 0.00 C ATOM 922 OE1 GLN A 59 16.576 -12.690 15.172 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.355 -11.734 13.295 1.00 0.00 N ATOM 0 H GLN A 59 14.144 -11.724 15.892 1.00 0.00 H new ATOM 0 HA GLN A 59 12.521 -12.764 13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.863 -14.245 14.884 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.950 -14.676 13.451 1.00 0.00 H new ATOM 0 HG2 GLN A 59 15.769 -13.775 12.412 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.843 -12.300 12.603 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.242 -11.591 12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.136 -11.301 13.787 1.00 0.00 H new ATOM 932 N GLY A 60 11.193 -14.125 15.232 1.00 0.00 N ATOM 933 CA GLY A 60 10.358 -14.830 16.187 1.00 0.00 C ATOM 934 C GLY A 60 9.183 -15.525 15.528 1.00 0.00 C ATOM 935 O GLY A 60 8.525 -14.955 14.657 1.00 0.00 O ATOM 0 H GLY A 60 10.778 -14.004 14.308 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.961 -15.567 16.718 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.988 -14.125 16.932 1.00 0.00 H new ATOM 939 N TYR A 61 8.919 -16.759 15.943 1.00 0.00 N ATOM 940 CA TYR A 61 7.817 -17.533 15.384 1.00 0.00 C ATOM 941 C TYR A 61 6.578 -17.435 16.269 1.00 0.00 C ATOM 942 O TYR A 61 6.675 -17.151 17.463 1.00 0.00 O ATOM 943 CB TYR A 61 8.227 -18.998 15.221 1.00 0.00 C ATOM 944 CG TYR A 61 8.670 -19.650 16.511 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.743 -20.050 17.464 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.017 -19.864 16.776 1.00 0.00 C ATOM 947 CE1 TYR A 61 8.144 -20.646 18.645 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.427 -20.460 17.953 1.00 0.00 C ATOM 949 CZ TYR A 61 9.487 -20.849 18.884 1.00 0.00 C ATOM 950 OH TYR A 61 9.891 -21.441 20.059 1.00 0.00 O ATOM 0 H TYR A 61 9.453 -17.244 16.664 1.00 0.00 H new ATOM 0 HA TYR A 61 7.575 -17.119 14.405 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.387 -19.558 14.810 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.037 -19.061 14.495 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.691 -19.893 17.279 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.756 -19.559 16.050 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.410 -20.951 19.376 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.478 -20.620 18.143 1.00 0.00 H new ATOM 0 HH TYR A 61 10.825 -21.728 19.977 1.00 0.00 H new ATOM 960 N VAL A 62 5.414 -17.675 15.675 1.00 0.00 N ATOM 961 CA VAL A 62 4.155 -17.616 16.408 1.00 0.00 C ATOM 962 C VAL A 62 3.107 -18.525 15.775 1.00 0.00 C ATOM 963 O VAL A 62 3.165 -18.848 14.588 1.00 0.00 O ATOM 964 CB VAL A 62 3.604 -16.178 16.464 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.371 -15.352 17.485 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.665 -15.531 15.089 1.00 0.00 C ATOM 0 H VAL A 62 5.316 -17.912 14.688 1.00 0.00 H new ATOM 0 HA VAL A 62 4.364 -17.957 17.422 1.00 0.00 H new ATOM 0 HB VAL A 62 2.560 -16.219 16.775 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.968 -14.340 17.511 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.271 -15.807 18.470 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.424 -15.316 17.207 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.272 -14.516 15.147 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.699 -15.501 14.747 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.067 -16.112 14.387 1.00 0.00 H new ATOM 976 N PRO A 63 2.125 -18.949 16.584 1.00 0.00 N ATOM 977 CA PRO A 63 1.044 -19.826 16.125 1.00 0.00 C ATOM 978 C PRO A 63 0.087 -19.117 15.173 1.00 0.00 C ATOM 979 O PRO A 63 -0.081 -17.899 15.239 1.00 0.00 O ATOM 980 CB PRO A 63 0.324 -20.209 17.420 1.00 0.00 C ATOM 981 CG PRO A 63 0.615 -19.091 18.361 1.00 0.00 C ATOM 982 CD PRO A 63 1.994 -18.603 18.010 1.00 0.00 C ATOM 0 HA PRO A 63 1.423 -20.680 15.563 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.748 -20.321 17.258 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.689 -21.159 17.810 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.120 -18.292 18.258 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.573 -19.431 19.396 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.095 -17.530 18.174 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.759 -19.091 18.614 1.00 0.00 H new ATOM 990 N HIS A 64 -0.538 -19.887 14.288 1.00 0.00 N ATOM 991 CA HIS A 64 -1.480 -19.332 13.322 1.00 0.00 C ATOM 992 C HIS A 64 -2.605 -18.583 14.029 1.00 0.00 C ATOM 993 O HIS A 64 -3.237 -17.701 13.449 1.00 0.00 O ATOM 994 CB HIS A 64 -2.062 -20.444 12.448 1.00 0.00 C ATOM 995 CG HIS A 64 -2.568 -21.617 13.230 1.00 0.00 C ATOM 996 ND1 HIS A 64 -1.829 -22.763 13.431 1.00 0.00 N ATOM 997 CD2 HIS A 64 -3.747 -21.816 13.864 1.00 0.00 C ATOM 998 CE1 HIS A 64 -2.532 -23.617 14.153 1.00 0.00 C ATOM 999 NE2 HIS A 64 -3.700 -23.066 14.429 1.00 0.00 N ATOM 0 H HIS A 64 -0.409 -20.897 14.220 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.940 -18.628 12.689 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.878 -20.036 11.851 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.297 -20.785 11.751 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.572 -21.120 13.916 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.207 -24.599 14.465 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.446 -23.499 14.974 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.850 -18.941 15.285 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.900 -18.304 16.071 1.00 0.00 C ATOM 1009 C ASN A 65 -3.486 -16.897 16.492 1.00 0.00 C ATOM 1010 O ASN A 65 -4.329 -16.066 16.832 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.221 -19.144 17.309 1.00 0.00 C ATOM 1012 CG ASN A 65 -4.930 -20.439 16.961 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -4.299 -21.487 16.823 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.248 -20.372 16.816 1.00 0.00 N ATOM 0 H ASN A 65 -2.335 -19.669 15.780 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.792 -18.231 15.448 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.297 -19.370 17.841 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.845 -18.562 17.988 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.779 -21.211 16.581 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.730 -19.482 16.940 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.184 -16.636 16.465 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.658 -15.330 16.845 1.00 0.00 C ATOM 1023 C TYR A 66 -1.861 -14.314 15.725 1.00 0.00 C ATOM 1024 O TYR A 66 -2.607 -13.346 15.876 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.171 -15.437 17.189 1.00 0.00 C ATOM 1026 CG TYR A 66 0.271 -14.472 18.266 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -0.333 -14.471 19.517 1.00 0.00 C ATOM 1028 CD2 TYR A 66 1.295 -13.561 18.032 1.00 0.00 C ATOM 1029 CE1 TYR A 66 0.068 -13.591 20.503 1.00 0.00 C ATOM 1030 CE2 TYR A 66 1.703 -12.678 19.013 1.00 0.00 C ATOM 1031 CZ TYR A 66 1.087 -12.697 20.246 1.00 0.00 C ATOM 1032 OH TYR A 66 1.490 -11.819 21.227 1.00 0.00 O ATOM 0 H TYR A 66 -1.473 -17.311 16.184 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.204 -14.988 17.724 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.046 -16.455 17.513 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.416 -15.257 16.288 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.130 -15.170 19.722 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.780 -13.543 17.067 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.413 -13.603 21.470 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.500 -11.977 18.815 1.00 0.00 H new ATOM 0 HH TYR A 66 1.217 -12.161 22.104 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.192 -14.543 14.600 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.298 -13.649 13.452 1.00 0.00 C ATOM 1044 C LEU A 67 -2.300 -14.186 12.434 1.00 0.00 C ATOM 1045 O LEU A 67 -2.634 -15.370 12.443 1.00 0.00 O ATOM 1046 CB LEU A 67 0.070 -13.470 12.792 1.00 0.00 C ATOM 1047 CG LEU A 67 0.449 -14.512 11.738 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.744 -14.123 11.044 1.00 0.00 C ATOM 1049 CD2 LEU A 67 0.574 -15.890 12.371 1.00 0.00 C ATOM 0 H LEU A 67 -0.571 -15.340 14.458 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.652 -12.682 13.808 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.101 -12.485 12.327 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.831 -13.478 13.572 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.343 -14.548 10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.997 -14.876 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.619 -13.156 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.546 -14.057 11.780 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.844 -16.618 11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.346 -15.868 13.140 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.378 -16.172 12.820 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.774 -13.306 11.558 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.734 -13.692 10.532 1.00 0.00 C ATOM 1063 C ALA A 68 -3.477 -12.941 9.229 1.00 0.00 C ATOM 1064 O ALA A 68 -3.046 -11.789 9.242 1.00 0.00 O ATOM 1065 CB ALA A 68 -5.154 -13.442 11.016 1.00 0.00 C ATOM 0 H ALA A 68 -2.509 -12.321 11.539 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.611 -14.757 10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.860 -13.735 10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.340 -14.029 11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.281 -12.383 11.241 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.745 -13.603 8.108 1.00 0.00 N ATOM 1072 CA GLU A 69 -3.541 -12.996 6.797 1.00 0.00 C ATOM 1073 C GLU A 69 -4.499 -11.828 6.583 1.00 0.00 C ATOM 1074 O GLU A 69 -5.655 -11.875 7.003 1.00 0.00 O ATOM 1075 CB GLU A 69 -3.734 -14.038 5.693 1.00 0.00 C ATOM 1076 CG GLU A 69 -5.188 -14.409 5.454 1.00 0.00 C ATOM 1077 CD GLU A 69 -5.340 -15.674 4.632 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.383 -16.034 3.914 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -6.416 -16.304 4.707 1.00 0.00 O ATOM 0 H GLU A 69 -4.103 -14.558 8.081 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.520 -12.617 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.308 -13.655 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.176 -14.938 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.688 -14.542 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.690 -13.587 4.944 1.00 0.00 H new ATOM 1086 N ARG A 70 -4.009 -10.781 5.927 1.00 0.00 N ATOM 1087 CA ARG A 70 -4.820 -9.600 5.659 1.00 0.00 C ATOM 1088 C ARG A 70 -4.842 -9.284 4.166 1.00 0.00 C ATOM 1089 O ARG A 70 -3.925 -8.651 3.643 1.00 0.00 O ATOM 1090 CB ARG A 70 -4.283 -8.398 6.438 1.00 0.00 C ATOM 1091 CG ARG A 70 -4.992 -8.165 7.762 1.00 0.00 C ATOM 1092 CD ARG A 70 -6.432 -7.724 7.553 1.00 0.00 C ATOM 1093 NE ARG A 70 -7.071 -7.328 8.805 1.00 0.00 N ATOM 1094 CZ ARG A 70 -8.265 -6.751 8.871 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -8.948 -6.505 7.761 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -8.780 -6.420 10.048 1.00 0.00 N ATOM 0 H ARG A 70 -3.054 -10.727 5.572 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.839 -9.808 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.219 -8.543 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.379 -7.504 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.973 -9.081 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.457 -7.406 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.457 -6.889 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.998 -8.537 7.099 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.572 -7.504 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.556 -6.759 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.865 -6.062 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.259 -6.609 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.697 -5.977 10.097 1.00 0.00 H new ATOM 1110 N GLU A 71 -5.895 -9.728 3.487 1.00 0.00 N ATOM 1111 CA GLU A 71 -6.035 -9.493 2.055 1.00 0.00 C ATOM 1112 C GLU A 71 -7.236 -8.598 1.765 1.00 0.00 C ATOM 1113 O GLU A 71 -8.091 -8.387 2.627 1.00 0.00 O ATOM 1114 CB GLU A 71 -6.182 -10.821 1.310 1.00 0.00 C ATOM 1115 CG GLU A 71 -7.157 -11.783 1.967 1.00 0.00 C ATOM 1116 CD GLU A 71 -8.587 -11.279 1.933 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -9.081 -10.971 0.828 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -9.212 -11.192 3.011 1.00 0.00 O ATOM 0 H GLU A 71 -6.663 -10.252 3.906 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.135 -8.987 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.513 -10.621 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.205 -11.299 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.104 -12.748 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.858 -11.947 3.002 1.00 0.00 H new ATOM 1125 N THR A 72 -7.295 -8.073 0.545 1.00 0.00 N ATOM 1126 CA THR A 72 -8.390 -7.200 0.141 1.00 0.00 C ATOM 1127 C THR A 72 -9.732 -7.914 0.252 1.00 0.00 C ATOM 1128 O THR A 72 -10.764 -7.284 0.487 1.00 0.00 O ATOM 1129 CB THR A 72 -8.205 -6.700 -1.304 1.00 0.00 C ATOM 1130 OG1 THR A 72 -7.784 -7.779 -2.146 1.00 0.00 O ATOM 1131 CG2 THR A 72 -7.182 -5.576 -1.361 1.00 0.00 C ATOM 0 H THR A 72 -6.597 -8.237 -0.180 1.00 0.00 H new ATOM 0 HA THR A 72 -8.380 -6.346 0.818 1.00 0.00 H new ATOM 0 HB THR A 72 -9.162 -6.317 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.670 -7.453 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.068 -5.239 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.520 -4.744 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.223 -5.938 -0.990 1.00 0.00 H new TER 1139 THR A 72