USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 895 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 70 THR OG1 : rot 141:sc= -1.85! USER MOD Set 1.2: A 77 GLN : amide:sc= -0.0954 X(o=-1.9,f=-2.3) USER MOD Set 2.1: A 71 ASN : amide:sc= -1.08 K(o=0.33,f=-14!) USER MOD Set 2.2: A 74 THR OG1 : rot -159:sc= 1.41 USER MOD Single : A 1 GLU N :NH3+ -110:sc= -0.544! (180deg=-2.15!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.36) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 10 TYR OH : rot -62:sc= 1.69! USER MOD Single : A 11 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-1.5) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.37! C(o=-1.4!,f=-8.6!) USER MOD Single : A 18 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.2!) USER MOD Single : A 19 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.5) USER MOD Single : A 28 SER OG : rot 10:sc= 1.15 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -25:sc= 0.565 USER MOD Single : A 44 SER OG : rot -85:sc= 0.132 USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= 1.29 (180deg=-0.0796) USER MOD Single : A 46 TYR OH : rot 110:sc= 1.23 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00736 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc=-0.00105 K(o=-0.0011,f=-0.55) USER MOD Single : A 88 ASN : amide:sc= 0.517 K(o=0.52,f=-5.8!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 51:sc= 0.717! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 105 ASN : amide:sc= -4.49! C(o=-4.5!,f=-7.1!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00974 X(o=-0.0097,f=-0.0097) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0.331 K(o=0.33,f=-2.3!) USER MOD Single : A 115 ASN : amide:sc= -1.75 K(o=-1.8,f=-3.6!) USER MOD Single : A 117 ASN : amide:sc= -1.33! C(o=-1.3!,f=-8.9!) USER MOD Single : A 118 TYR OH : rot 89:sc= -0.339 USER MOD Single : A 119 GLN : amide:sc= -3.72! C(o=-3.7!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.104 15.287 0.335 1.00 0.00 N ATOM 2 CA GLU A 1 3.146 15.270 -1.157 1.00 0.00 C ATOM 3 C GLU A 1 4.347 14.508 -1.754 1.00 0.00 C ATOM 4 O GLU A 1 4.140 13.404 -2.211 1.00 0.00 O ATOM 5 CB GLU A 1 3.158 16.717 -1.677 1.00 0.00 C ATOM 6 CG GLU A 1 1.775 17.412 -1.400 1.00 0.00 C ATOM 7 CD GLU A 1 1.722 18.847 -1.977 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.696 19.252 -2.594 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.682 19.446 -1.754 1.00 0.00 O ATOM 0 H1 GLU A 1 2.316 14.694 0.667 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.999 14.916 0.712 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.967 16.263 0.667 1.00 0.00 H new ATOM 0 HA GLU A 1 2.255 14.731 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.957 17.278 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.368 16.724 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.975 16.815 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.595 17.446 -0.325 1.00 0.00 H new ATOM 18 N GLN A 2 5.542 15.050 -1.738 1.00 0.00 N ATOM 19 CA GLN A 2 6.695 14.287 -2.337 1.00 0.00 C ATOM 20 C GLN A 2 7.644 13.659 -1.308 1.00 0.00 C ATOM 21 O GLN A 2 8.085 14.310 -0.378 1.00 0.00 O ATOM 22 CB GLN A 2 7.557 15.216 -3.227 1.00 0.00 C ATOM 23 CG GLN A 2 6.734 15.961 -4.309 1.00 0.00 C ATOM 24 CD GLN A 2 7.704 16.627 -5.286 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.323 15.982 -6.106 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.883 17.907 -5.241 1.00 0.00 N ATOM 0 H GLN A 2 5.771 15.964 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 2 6.223 13.485 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.062 15.948 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.333 14.625 -3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.084 15.263 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.090 16.709 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.373 18.470 -4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.534 18.354 -5.887 1.00 0.00 H new ATOM 35 N ALA A 3 7.922 12.397 -1.527 1.00 0.00 N ATOM 36 CA ALA A 3 8.836 11.648 -0.631 1.00 0.00 C ATOM 37 C ALA A 3 9.856 10.870 -1.504 1.00 0.00 C ATOM 38 O ALA A 3 9.564 10.497 -2.628 1.00 0.00 O ATOM 39 CB ALA A 3 7.956 10.726 0.207 1.00 0.00 C ATOM 0 H ALA A 3 7.545 11.852 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 3 9.412 12.293 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.580 10.148 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.248 11.323 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.410 10.048 -0.449 1.00 0.00 H new ATOM 45 N ASN A 4 11.003 10.670 -0.930 1.00 0.00 N ATOM 46 CA ASN A 4 12.140 9.947 -1.570 1.00 0.00 C ATOM 47 C ASN A 4 12.674 8.929 -0.567 1.00 0.00 C ATOM 48 O ASN A 4 12.292 8.952 0.587 1.00 0.00 O ATOM 49 CB ASN A 4 13.216 10.984 -1.957 1.00 0.00 C ATOM 50 CG ASN A 4 13.367 12.016 -0.850 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.752 11.756 0.263 1.00 0.00 O ATOM 52 ND2 ASN A 4 13.069 13.246 -1.091 1.00 0.00 N ATOM 0 H ASN A 4 11.213 10.997 0.013 1.00 0.00 H new ATOM 0 HA ASN A 4 11.832 9.419 -2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.169 10.484 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.939 11.477 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.164 13.947 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.739 13.519 -2.017 1.00 0.00 H new ATOM 59 N ASP A 5 13.545 8.086 -1.031 1.00 0.00 N ATOM 60 CA ASP A 5 14.170 7.019 -0.203 1.00 0.00 C ATOM 61 C ASP A 5 13.257 6.497 0.938 1.00 0.00 C ATOM 62 O ASP A 5 13.593 6.554 2.108 1.00 0.00 O ATOM 63 CB ASP A 5 15.484 7.660 0.301 1.00 0.00 C ATOM 64 CG ASP A 5 16.512 7.716 -0.817 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.321 8.557 -1.675 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.418 6.907 -0.733 1.00 0.00 O ATOM 0 H ASP A 5 13.866 8.093 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 5 14.351 6.112 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.286 8.666 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.879 7.084 1.138 1.00 0.00 H new ATOM 71 N VAL A 6 12.115 5.982 0.559 1.00 0.00 N ATOM 72 CA VAL A 6 11.175 5.456 1.610 1.00 0.00 C ATOM 73 C VAL A 6 11.234 3.914 1.544 1.00 0.00 C ATOM 74 O VAL A 6 11.490 3.343 0.497 1.00 0.00 O ATOM 75 CB VAL A 6 9.718 5.994 1.327 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.782 5.635 2.513 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.711 7.539 1.176 1.00 0.00 C ATOM 0 H VAL A 6 11.793 5.901 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 6 11.457 5.790 2.608 1.00 0.00 H new ATOM 0 HB VAL A 6 9.373 5.531 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.778 6.009 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.748 4.552 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.162 6.091 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.694 7.881 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.078 7.996 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.355 7.826 0.345 1.00 0.00 H new ATOM 87 N ARG A 7 10.986 3.277 2.661 1.00 0.00 N ATOM 88 CA ARG A 7 11.032 1.779 2.696 1.00 0.00 C ATOM 89 C ARG A 7 9.752 1.138 2.161 1.00 0.00 C ATOM 90 O ARG A 7 8.714 1.208 2.789 1.00 0.00 O ATOM 91 CB ARG A 7 11.270 1.313 4.172 1.00 0.00 C ATOM 92 CG ARG A 7 11.297 -0.245 4.208 1.00 0.00 C ATOM 93 CD ARG A 7 11.472 -0.790 5.634 1.00 0.00 C ATOM 94 NE ARG A 7 10.277 -0.380 6.465 1.00 0.00 N ATOM 95 CZ ARG A 7 10.404 -0.065 7.707 1.00 0.00 C ATOM 96 NH1 ARG A 7 11.089 -0.850 8.431 1.00 0.00 N ATOM 97 NH2 ARG A 7 9.853 0.991 8.161 1.00 0.00 N ATOM 0 H ARG A 7 10.754 3.725 3.548 1.00 0.00 H new ATOM 0 HA ARG A 7 11.847 1.458 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.211 1.716 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.479 1.692 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.371 -0.633 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.111 -0.607 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.562 -1.876 5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.390 -0.402 6.076 1.00 0.00 H new ATOM 0 HE ARG A 7 9.353 -0.352 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.509 -1.685 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.220 -0.646 9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.309 1.590 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.956 1.237 9.146 1.00 0.00 H new ATOM 111 N ALA A 8 9.880 0.530 1.016 1.00 0.00 N ATOM 112 CA ALA A 8 8.682 -0.126 0.429 1.00 0.00 C ATOM 113 C ALA A 8 8.714 -1.637 0.717 1.00 0.00 C ATOM 114 O ALA A 8 9.473 -2.374 0.114 1.00 0.00 O ATOM 115 CB ALA A 8 8.678 0.139 -1.081 1.00 0.00 C ATOM 0 H ALA A 8 10.740 0.459 0.473 1.00 0.00 H new ATOM 0 HA ALA A 8 7.773 0.280 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.806 -0.335 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.641 1.213 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.584 -0.273 -1.525 1.00 0.00 H new ATOM 121 N THR A 9 7.896 -2.036 1.655 1.00 0.00 N ATOM 122 CA THR A 9 7.804 -3.489 2.035 1.00 0.00 C ATOM 123 C THR A 9 6.516 -3.982 1.340 1.00 0.00 C ATOM 124 O THR A 9 5.690 -3.197 0.922 1.00 0.00 O ATOM 125 CB THR A 9 7.568 -3.701 3.533 1.00 0.00 C ATOM 126 OG1 THR A 9 6.395 -2.929 3.738 1.00 0.00 O ATOM 127 CG2 THR A 9 8.533 -2.964 4.426 1.00 0.00 C ATOM 0 H THR A 9 7.280 -1.417 2.182 1.00 0.00 H new ATOM 0 HA THR A 9 8.729 -3.996 1.760 1.00 0.00 H new ATOM 0 HB THR A 9 7.597 -4.768 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.129 -2.982 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.294 -3.170 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.550 -3.295 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.455 -1.893 4.241 1.00 0.00 H new ATOM 135 N TYR A 10 6.412 -5.274 1.278 1.00 0.00 N ATOM 136 CA TYR A 10 5.229 -5.929 0.641 1.00 0.00 C ATOM 137 C TYR A 10 4.475 -6.854 1.601 1.00 0.00 C ATOM 138 O TYR A 10 5.013 -7.307 2.598 1.00 0.00 O ATOM 139 CB TYR A 10 5.723 -6.743 -0.570 1.00 0.00 C ATOM 140 CG TYR A 10 6.988 -7.495 -0.122 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.206 -6.865 -0.244 1.00 0.00 C ATOM 142 CD2 TYR A 10 6.934 -8.769 0.418 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.357 -7.493 0.168 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.095 -9.399 0.829 1.00 0.00 C ATOM 145 CZ TYR A 10 9.302 -8.753 0.700 1.00 0.00 C ATOM 146 OH TYR A 10 10.468 -9.356 1.090 1.00 0.00 O ATOM 0 H TYR A 10 7.108 -5.922 1.647 1.00 0.00 H new ATOM 0 HA TYR A 10 4.531 -5.147 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.956 -7.443 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.943 -6.087 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.257 -5.872 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.983 -9.272 0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.308 -6.991 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.054 -10.393 1.249 1.00 0.00 H new ATOM 0 HH TYR A 10 11.051 -9.475 0.311 1.00 0.00 H new ATOM 156 N HIS A 11 3.243 -7.090 1.255 1.00 0.00 N ATOM 157 CA HIS A 11 2.343 -7.987 2.063 1.00 0.00 C ATOM 158 C HIS A 11 1.460 -8.795 1.082 1.00 0.00 C ATOM 159 O HIS A 11 1.523 -8.541 -0.097 1.00 0.00 O ATOM 160 CB HIS A 11 1.510 -7.088 3.002 1.00 0.00 C ATOM 161 CG HIS A 11 0.898 -5.974 2.183 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.252 -4.738 2.273 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.092 -6.002 1.220 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.549 -4.037 1.437 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.297 -4.783 0.766 1.00 0.00 N ATOM 0 H HIS A 11 2.802 -6.693 0.426 1.00 0.00 H new ATOM 0 HA HIS A 11 2.899 -8.699 2.673 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.730 -7.671 3.491 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.141 -6.676 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.617 -6.887 0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.648 -2.969 1.309 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.963 -4.486 0.053 1.00 0.00 H new ATOM 173 N TYR A 12 0.668 -9.731 1.540 1.00 0.00 N ATOM 174 CA TYR A 12 -0.191 -10.526 0.581 1.00 0.00 C ATOM 175 C TYR A 12 -1.678 -10.666 0.985 1.00 0.00 C ATOM 176 O TYR A 12 -1.983 -11.371 1.930 1.00 0.00 O ATOM 177 CB TYR A 12 0.424 -11.961 0.408 1.00 0.00 C ATOM 178 CG TYR A 12 1.813 -12.079 1.059 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.959 -11.771 0.352 1.00 0.00 C ATOM 180 CD2 TYR A 12 1.923 -12.491 2.372 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.200 -11.876 0.958 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.162 -12.594 2.972 1.00 0.00 C ATOM 183 CZ TYR A 12 4.303 -12.286 2.266 1.00 0.00 C ATOM 184 OH TYR A 12 5.537 -12.390 2.872 1.00 0.00 O ATOM 0 H TYR A 12 0.572 -9.985 2.523 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.189 -9.958 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.247 -12.698 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.501 -12.196 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.887 -11.447 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.033 -12.734 2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.092 -11.634 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.237 -12.918 4.000 1.00 0.00 H new ATOM 0 HH TYR A 12 5.423 -12.692 3.797 1.00 0.00 H new ATOM 194 N TYR A 13 -2.559 -10.004 0.280 1.00 0.00 N ATOM 195 CA TYR A 13 -4.026 -10.112 0.624 1.00 0.00 C ATOM 196 C TYR A 13 -4.627 -11.173 -0.334 1.00 0.00 C ATOM 197 O TYR A 13 -4.556 -12.358 -0.067 1.00 0.00 O ATOM 198 CB TYR A 13 -4.705 -8.696 0.424 1.00 0.00 C ATOM 199 CG TYR A 13 -4.856 -7.897 1.736 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.847 -7.838 2.667 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.026 -7.211 2.001 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.017 -7.105 3.833 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.207 -6.479 3.162 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.190 -6.424 4.088 1.00 0.00 C ATOM 205 OH TYR A 13 -5.341 -5.692 5.250 1.00 0.00 O ATOM 0 H TYR A 13 -2.339 -9.398 -0.511 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.191 -10.412 1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.112 -8.113 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.689 -8.833 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.920 -8.363 2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.827 -7.247 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.215 -7.067 4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.136 -5.957 3.339 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.229 -5.278 5.263 1.00 0.00 H new ATOM 215 N ARG A 14 -5.197 -10.719 -1.416 1.00 0.00 N ATOM 216 CA ARG A 14 -5.800 -11.647 -2.412 1.00 0.00 C ATOM 217 C ARG A 14 -5.720 -11.008 -3.807 1.00 0.00 C ATOM 218 O ARG A 14 -5.810 -9.801 -3.926 1.00 0.00 O ATOM 219 CB ARG A 14 -7.284 -11.936 -2.042 1.00 0.00 C ATOM 220 CG ARG A 14 -7.371 -12.947 -0.866 1.00 0.00 C ATOM 221 CD ARG A 14 -6.673 -14.247 -1.284 1.00 0.00 C ATOM 222 NE ARG A 14 -7.522 -15.336 -0.732 1.00 0.00 N ATOM 223 CZ ARG A 14 -8.273 -15.982 -1.529 1.00 0.00 C ATOM 224 NH1 ARG A 14 -9.416 -15.491 -1.751 1.00 0.00 N ATOM 225 NH2 ARG A 14 -7.895 -17.059 -2.079 1.00 0.00 N ATOM 0 H ARG A 14 -5.271 -9.730 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.252 -12.589 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.783 -11.007 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.809 -12.334 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.898 -12.533 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.413 -13.142 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.593 -14.321 -2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.660 -14.296 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.502 -15.560 0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.693 -14.620 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.061 -15.966 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.965 -17.431 -1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.521 -17.554 -2.714 1.00 0.00 H new ATOM 239 N PRO A 15 -5.562 -11.818 -4.828 1.00 0.00 N ATOM 240 CA PRO A 15 -5.486 -11.307 -6.220 1.00 0.00 C ATOM 241 C PRO A 15 -6.880 -11.153 -6.836 1.00 0.00 C ATOM 242 O PRO A 15 -7.868 -10.955 -6.157 1.00 0.00 O ATOM 243 CB PRO A 15 -4.606 -12.334 -6.934 1.00 0.00 C ATOM 244 CG PRO A 15 -4.804 -13.682 -6.137 1.00 0.00 C ATOM 245 CD PRO A 15 -5.404 -13.305 -4.760 1.00 0.00 C ATOM 0 HA PRO A 15 -5.064 -10.305 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.902 -12.447 -7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.561 -12.026 -6.931 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.469 -14.356 -6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.854 -14.202 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.360 -13.801 -4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.745 -13.599 -3.943 1.00 0.00 H new ATOM 253 N ALA A 16 -6.922 -11.246 -8.134 1.00 0.00 N ATOM 254 CA ALA A 16 -8.171 -11.127 -8.935 1.00 0.00 C ATOM 255 C ALA A 16 -9.180 -12.303 -8.690 1.00 0.00 C ATOM 256 O ALA A 16 -9.780 -12.798 -9.620 1.00 0.00 O ATOM 257 CB ALA A 16 -7.724 -11.055 -10.408 1.00 0.00 C ATOM 0 H ALA A 16 -6.091 -11.409 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.724 -10.236 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.600 -10.966 -11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.080 -10.187 -10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.175 -11.961 -10.666 1.00 0.00 H new ATOM 263 N GLN A 17 -9.347 -12.719 -7.456 1.00 0.00 N ATOM 264 CA GLN A 17 -10.311 -13.834 -7.149 1.00 0.00 C ATOM 265 C GLN A 17 -11.730 -13.219 -7.156 1.00 0.00 C ATOM 266 O GLN A 17 -12.421 -13.347 -8.142 1.00 0.00 O ATOM 267 CB GLN A 17 -9.962 -14.437 -5.751 1.00 0.00 C ATOM 268 CG GLN A 17 -10.910 -15.665 -5.610 1.00 0.00 C ATOM 269 CD GLN A 17 -10.863 -16.376 -4.267 1.00 0.00 C ATOM 270 OE1 GLN A 17 -9.920 -17.016 -3.846 1.00 0.00 O ATOM 271 NE2 GLN A 17 -11.910 -16.281 -3.524 1.00 0.00 N ATOM 0 H GLN A 17 -8.859 -12.337 -6.646 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.253 -14.638 -7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.915 -14.735 -5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.129 -13.713 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.933 -15.335 -5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.664 -16.384 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.719 -15.751 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.931 -16.736 -2.611 1.00 0.00 H new ATOM 280 N ASN A 18 -12.177 -12.572 -6.105 1.00 0.00 N ATOM 281 CA ASN A 18 -13.558 -11.966 -6.146 1.00 0.00 C ATOM 282 C ASN A 18 -13.277 -10.540 -6.730 1.00 0.00 C ATOM 283 O ASN A 18 -13.488 -9.529 -6.090 1.00 0.00 O ATOM 284 CB ASN A 18 -14.143 -11.863 -4.703 1.00 0.00 C ATOM 285 CG ASN A 18 -15.649 -11.725 -4.763 1.00 0.00 C ATOM 286 OD1 ASN A 18 -16.321 -12.375 -5.530 1.00 0.00 O ATOM 287 ND2 ASN A 18 -16.230 -10.895 -3.964 1.00 0.00 N ATOM 0 H ASN A 18 -11.662 -12.436 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 18 -14.279 -12.542 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.873 -12.749 -4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.711 -11.005 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -17.245 -10.793 -3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -15.675 -10.341 -3.312 1.00 0.00 H new ATOM 294 N ASN A 19 -12.779 -10.549 -7.947 1.00 0.00 N ATOM 295 CA ASN A 19 -12.414 -9.305 -8.745 1.00 0.00 C ATOM 296 C ASN A 19 -11.319 -8.443 -8.012 1.00 0.00 C ATOM 297 O ASN A 19 -11.501 -7.263 -7.829 1.00 0.00 O ATOM 298 CB ASN A 19 -13.711 -8.417 -8.976 1.00 0.00 C ATOM 299 CG ASN A 19 -13.469 -7.396 -10.113 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.990 -7.542 -11.195 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.703 -6.365 -9.952 1.00 0.00 N ATOM 0 H ASN A 19 -12.597 -11.414 -8.456 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.006 -9.632 -9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.558 -9.056 -9.227 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.969 -7.892 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.558 -5.712 -10.722 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.245 -6.205 -9.055 1.00 0.00 H new ATOM 308 N TRP A 20 -10.234 -9.046 -7.623 1.00 0.00 N ATOM 309 CA TRP A 20 -9.026 -8.444 -6.887 1.00 0.00 C ATOM 310 C TRP A 20 -9.230 -8.473 -5.392 1.00 0.00 C ATOM 311 O TRP A 20 -8.437 -7.956 -4.631 1.00 0.00 O ATOM 312 CB TRP A 20 -8.747 -7.010 -7.100 1.00 0.00 C ATOM 313 CG TRP A 20 -8.176 -6.704 -8.433 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.950 -6.265 -9.414 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.886 -6.787 -8.809 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.076 -6.088 -10.390 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.802 -6.370 -10.113 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.730 -7.175 -8.138 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.568 -6.335 -10.729 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.505 -7.139 -8.771 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.421 -6.716 -10.077 1.00 0.00 C ATOM 0 H TRP A 20 -10.104 -10.043 -7.796 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.222 -9.060 -7.291 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.671 -6.447 -6.973 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.056 -6.666 -6.331 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.017 -6.096 -9.416 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.362 -5.752 -11.310 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.793 -7.507 -7.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.502 -5.998 -11.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.614 -7.442 -8.242 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.467 -6.684 -10.582 1.00 0.00 H new ATOM 332 N ASP A 21 -10.308 -9.131 -5.093 1.00 0.00 N ATOM 333 CA ASP A 21 -10.903 -9.412 -3.756 1.00 0.00 C ATOM 334 C ASP A 21 -9.991 -9.032 -2.594 1.00 0.00 C ATOM 335 O ASP A 21 -9.678 -9.864 -1.779 1.00 0.00 O ATOM 336 CB ASP A 21 -11.165 -10.870 -3.942 1.00 0.00 C ATOM 337 CG ASP A 21 -11.706 -11.665 -2.786 1.00 0.00 C ATOM 338 OD1 ASP A 21 -12.539 -11.107 -2.105 1.00 0.00 O ATOM 339 OD2 ASP A 21 -11.240 -12.796 -2.691 1.00 0.00 O ATOM 0 H ASP A 21 -10.876 -9.541 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.784 -8.834 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.865 -10.976 -4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.230 -11.336 -4.253 1.00 0.00 H new ATOM 344 N LEU A 22 -9.636 -7.769 -2.629 1.00 0.00 N ATOM 345 CA LEU A 22 -8.764 -6.991 -1.707 1.00 0.00 C ATOM 346 C LEU A 22 -8.663 -7.601 -0.307 1.00 0.00 C ATOM 347 O LEU A 22 -8.985 -7.004 0.700 1.00 0.00 O ATOM 348 CB LEU A 22 -9.372 -5.554 -1.787 1.00 0.00 C ATOM 349 CG LEU A 22 -9.166 -4.870 -3.234 1.00 0.00 C ATOM 350 CD1 LEU A 22 -9.791 -3.471 -3.260 1.00 0.00 C ATOM 351 CD2 LEU A 22 -7.658 -4.637 -3.355 1.00 0.00 C ATOM 0 H LEU A 22 -9.978 -7.172 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.711 -6.989 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.437 -5.602 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.912 -4.926 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.604 -5.494 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.643 -3.024 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.858 -3.545 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.317 -2.847 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.438 -4.173 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.325 -3.981 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.136 -5.591 -3.285 1.00 0.00 H new ATOM 363 N GLY A 23 -8.196 -8.821 -0.342 1.00 0.00 N ATOM 364 CA GLY A 23 -7.978 -9.727 0.852 1.00 0.00 C ATOM 365 C GLY A 23 -9.278 -9.798 1.643 1.00 0.00 C ATOM 366 O GLY A 23 -9.284 -9.810 2.857 1.00 0.00 O ATOM 0 H GLY A 23 -7.933 -9.268 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.679 -10.722 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.173 -9.342 1.478 1.00 0.00 H new ATOM 370 N ALA A 24 -10.347 -9.817 0.886 1.00 0.00 N ATOM 371 CA ALA A 24 -11.730 -9.875 1.436 1.00 0.00 C ATOM 372 C ALA A 24 -12.727 -10.997 1.822 1.00 0.00 C ATOM 373 O ALA A 24 -13.418 -11.541 0.989 1.00 0.00 O ATOM 374 CB ALA A 24 -12.566 -8.967 0.588 1.00 0.00 C ATOM 0 H ALA A 24 -10.311 -9.794 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.329 -9.760 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.594 -8.974 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.169 -7.953 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.544 -9.312 -0.446 1.00 0.00 H new ATOM 380 N PRO A 25 -12.778 -11.333 3.070 1.00 0.00 N ATOM 381 CA PRO A 25 -13.966 -12.037 3.586 1.00 0.00 C ATOM 382 C PRO A 25 -14.926 -10.775 3.746 1.00 0.00 C ATOM 383 O PRO A 25 -15.436 -10.251 2.779 1.00 0.00 O ATOM 384 CB PRO A 25 -13.479 -12.695 4.904 1.00 0.00 C ATOM 385 CG PRO A 25 -11.951 -12.340 4.994 1.00 0.00 C ATOM 386 CD PRO A 25 -11.713 -11.151 4.041 1.00 0.00 C ATOM 0 HA PRO A 25 -14.453 -12.832 3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.026 -12.308 5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.633 -13.774 4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.674 -12.078 6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.338 -13.194 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.788 -10.193 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.727 -11.188 3.578 1.00 0.00 H new ATOM 394 N ALA A 26 -15.152 -10.297 4.930 1.00 0.00 N ATOM 395 CA ALA A 26 -16.027 -9.114 5.225 1.00 0.00 C ATOM 396 C ALA A 26 -15.190 -7.797 5.198 1.00 0.00 C ATOM 397 O ALA A 26 -15.225 -7.037 6.145 1.00 0.00 O ATOM 398 CB ALA A 26 -16.671 -9.394 6.607 1.00 0.00 C ATOM 0 H ALA A 26 -14.739 -10.703 5.769 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.806 -8.976 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.323 -8.564 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.255 -10.313 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.888 -9.502 7.358 1.00 0.00 H new ATOM 404 N VAL A 27 -14.455 -7.541 4.146 1.00 0.00 N ATOM 405 CA VAL A 27 -13.619 -6.264 4.105 1.00 0.00 C ATOM 406 C VAL A 27 -14.031 -5.116 3.202 1.00 0.00 C ATOM 407 O VAL A 27 -14.497 -4.091 3.643 1.00 0.00 O ATOM 408 CB VAL A 27 -12.145 -6.595 3.685 1.00 0.00 C ATOM 409 CG1 VAL A 27 -11.127 -5.447 3.937 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.722 -7.811 4.411 1.00 0.00 C ATOM 0 H VAL A 27 -14.386 -8.136 3.321 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.767 -5.909 5.125 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.146 -6.744 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.134 -5.764 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.426 -4.565 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.106 -5.206 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.698 -8.062 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.775 -7.631 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.381 -8.639 4.150 1.00 0.00 H new ATOM 420 N SER A 28 -13.821 -5.374 1.939 1.00 0.00 N ATOM 421 CA SER A 28 -14.101 -4.429 0.828 1.00 0.00 C ATOM 422 C SER A 28 -13.354 -3.095 1.123 1.00 0.00 C ATOM 423 O SER A 28 -13.904 -2.162 1.674 1.00 0.00 O ATOM 424 CB SER A 28 -15.662 -4.201 0.680 1.00 0.00 C ATOM 425 OG SER A 28 -16.119 -3.355 1.729 1.00 0.00 O ATOM 0 H SER A 28 -13.441 -6.264 1.619 1.00 0.00 H new ATOM 0 HA SER A 28 -13.746 -4.837 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.885 -3.751 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.185 -5.157 0.715 1.00 0.00 H new ATOM 0 HG SER A 28 -15.349 -2.981 2.207 1.00 0.00 H new ATOM 431 N ALA A 29 -12.084 -3.073 0.762 1.00 0.00 N ATOM 432 CA ALA A 29 -11.212 -1.860 0.973 1.00 0.00 C ATOM 433 C ALA A 29 -11.848 -0.544 0.484 1.00 0.00 C ATOM 434 O ALA A 29 -12.765 -0.568 -0.310 1.00 0.00 O ATOM 435 CB ALA A 29 -9.895 -2.113 0.234 1.00 0.00 C ATOM 0 H ALA A 29 -11.607 -3.860 0.322 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.063 -1.728 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.235 -1.255 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.416 -3.004 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.096 -2.260 -0.827 1.00 0.00 H new ATOM 441 N TYR A 30 -11.338 0.568 0.960 1.00 0.00 N ATOM 442 CA TYR A 30 -11.859 1.926 0.571 1.00 0.00 C ATOM 443 C TYR A 30 -12.626 2.062 -0.746 1.00 0.00 C ATOM 444 O TYR A 30 -13.790 2.410 -0.706 1.00 0.00 O ATOM 445 CB TYR A 30 -10.674 2.931 0.545 1.00 0.00 C ATOM 446 CG TYR A 30 -10.963 4.049 1.561 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.093 4.829 1.394 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.135 4.301 2.633 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.385 5.847 2.278 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.429 5.323 3.517 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.549 6.099 3.342 1.00 0.00 C ATOM 452 OH TYR A 30 -11.805 7.113 4.234 1.00 0.00 O ATOM 0 H TYR A 30 -10.561 0.594 1.620 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.609 2.131 1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.742 2.424 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.553 3.349 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.754 4.639 0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.252 3.697 2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.271 6.447 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.772 5.513 4.353 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.102 7.133 4.917 1.00 0.00 H new ATOM 462 N CYS A 31 -12.005 1.802 -1.867 1.00 0.00 N ATOM 463 CA CYS A 31 -12.787 1.946 -3.140 1.00 0.00 C ATOM 464 C CYS A 31 -13.366 0.632 -3.663 1.00 0.00 C ATOM 465 O CYS A 31 -13.993 0.654 -4.699 1.00 0.00 O ATOM 466 CB CYS A 31 -11.916 2.499 -4.244 1.00 0.00 C ATOM 467 SG CYS A 31 -10.831 3.916 -3.995 1.00 0.00 S ATOM 0 H CYS A 31 -11.033 1.508 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.606 2.618 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.285 1.678 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.581 2.755 -5.069 1.00 0.00 H new ATOM 472 N ALA A 32 -13.175 -0.469 -2.979 1.00 0.00 N ATOM 473 CA ALA A 32 -13.737 -1.771 -3.482 1.00 0.00 C ATOM 474 C ALA A 32 -15.161 -1.526 -4.062 1.00 0.00 C ATOM 475 O ALA A 32 -15.384 -1.842 -5.215 1.00 0.00 O ATOM 476 CB ALA A 32 -13.702 -2.773 -2.282 1.00 0.00 C ATOM 0 H ALA A 32 -12.659 -0.528 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.156 -2.199 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.102 -3.736 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.673 -2.901 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.306 -2.382 -1.464 1.00 0.00 H new ATOM 482 N THR A 33 -16.053 -0.966 -3.273 1.00 0.00 N ATOM 483 CA THR A 33 -17.480 -0.651 -3.697 1.00 0.00 C ATOM 484 C THR A 33 -17.629 0.003 -5.082 1.00 0.00 C ATOM 485 O THR A 33 -18.650 -0.128 -5.726 1.00 0.00 O ATOM 486 CB THR A 33 -18.134 0.319 -2.683 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.133 -0.362 -1.446 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.632 0.512 -2.846 1.00 0.00 C ATOM 0 H THR A 33 -15.849 -0.700 -2.310 1.00 0.00 H new ATOM 0 HA THR A 33 -17.964 -1.627 -3.736 1.00 0.00 H new ATOM 0 HB THR A 33 -17.595 1.260 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.537 0.208 -0.759 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.994 1.208 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.841 0.913 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.137 -0.447 -2.728 1.00 0.00 H new ATOM 496 N TRP A 34 -16.597 0.695 -5.479 1.00 0.00 N ATOM 497 CA TRP A 34 -16.543 1.429 -6.789 1.00 0.00 C ATOM 498 C TRP A 34 -15.485 0.936 -7.832 1.00 0.00 C ATOM 499 O TRP A 34 -15.664 1.128 -9.022 1.00 0.00 O ATOM 500 CB TRP A 34 -16.356 2.901 -6.328 1.00 0.00 C ATOM 501 CG TRP A 34 -17.458 3.250 -5.293 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.811 3.120 -5.463 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.224 3.712 -4.046 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.294 3.512 -4.295 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.414 3.884 -3.384 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.036 4.006 -3.409 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.431 4.344 -2.089 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.037 4.472 -2.108 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.241 4.638 -1.449 1.00 0.00 C ATOM 0 H TRP A 34 -15.746 0.789 -4.925 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.441 1.259 -7.382 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.369 3.035 -5.886 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.416 3.574 -7.183 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.350 2.781 -6.335 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.297 3.526 -4.108 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.100 3.871 -3.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.371 4.475 -1.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.107 4.704 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.252 4.998 -0.431 1.00 0.00 H new ATOM 520 N ASP A 35 -14.432 0.327 -7.345 1.00 0.00 N ATOM 521 CA ASP A 35 -13.286 -0.234 -8.137 1.00 0.00 C ATOM 522 C ASP A 35 -13.360 -1.741 -8.429 1.00 0.00 C ATOM 523 O ASP A 35 -13.041 -2.153 -9.535 1.00 0.00 O ATOM 524 CB ASP A 35 -11.975 0.026 -7.367 1.00 0.00 C ATOM 525 CG ASP A 35 -11.322 1.351 -7.615 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.835 2.159 -8.364 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.267 1.463 -7.034 1.00 0.00 O ATOM 0 H ASP A 35 -14.313 0.185 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.331 0.272 -9.102 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.179 -0.062 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.265 -0.761 -7.622 1.00 0.00 H new ATOM 532 N ALA A 36 -13.764 -2.480 -7.422 1.00 0.00 N ATOM 533 CA ALA A 36 -13.892 -3.983 -7.524 1.00 0.00 C ATOM 534 C ALA A 36 -14.936 -4.323 -8.607 1.00 0.00 C ATOM 535 O ALA A 36 -15.047 -5.424 -9.095 1.00 0.00 O ATOM 536 CB ALA A 36 -14.337 -4.547 -6.148 1.00 0.00 C ATOM 0 H ALA A 36 -14.018 -2.101 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.936 -4.429 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.432 -5.631 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.594 -4.292 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.298 -4.114 -5.871 1.00 0.00 H new ATOM 542 N SER A 37 -15.694 -3.321 -8.937 1.00 0.00 N ATOM 543 CA SER A 37 -16.774 -3.387 -9.959 1.00 0.00 C ATOM 544 C SER A 37 -16.267 -3.041 -11.373 1.00 0.00 C ATOM 545 O SER A 37 -16.991 -3.203 -12.337 1.00 0.00 O ATOM 546 CB SER A 37 -17.841 -2.420 -9.471 1.00 0.00 C ATOM 547 OG SER A 37 -17.075 -1.256 -9.154 1.00 0.00 O ATOM 0 H SER A 37 -15.601 -2.399 -8.511 1.00 0.00 H new ATOM 0 HA SER A 37 -17.168 -4.398 -10.060 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.589 -2.218 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.373 -2.806 -8.601 1.00 0.00 H new ATOM 0 HG SER A 37 -17.671 -0.552 -8.824 1.00 0.00 H new ATOM 553 N LYS A 38 -15.045 -2.572 -11.475 1.00 0.00 N ATOM 554 CA LYS A 38 -14.481 -2.221 -12.815 1.00 0.00 C ATOM 555 C LYS A 38 -13.775 -3.457 -13.421 1.00 0.00 C ATOM 556 O LYS A 38 -12.989 -4.089 -12.732 1.00 0.00 O ATOM 557 CB LYS A 38 -13.480 -1.101 -12.636 1.00 0.00 C ATOM 558 CG LYS A 38 -14.152 0.246 -12.308 1.00 0.00 C ATOM 559 CD LYS A 38 -14.454 0.922 -13.666 1.00 0.00 C ATOM 560 CE LYS A 38 -15.128 2.269 -13.448 1.00 0.00 C ATOM 561 NZ LYS A 38 -15.034 3.024 -14.742 1.00 0.00 N ATOM 0 H LYS A 38 -14.415 -2.418 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.280 -1.905 -13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.787 -1.362 -11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.890 -0.997 -13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.068 0.095 -11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.497 0.870 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.529 1.057 -14.226 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.098 0.278 -14.265 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.169 2.136 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.638 2.819 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.485 3.955 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.034 3.152 -14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.517 2.489 -15.492 1.00 0.00 H new ATOM 575 N PRO A 39 -14.042 -3.778 -14.678 1.00 0.00 N ATOM 576 CA PRO A 39 -13.406 -4.958 -15.333 1.00 0.00 C ATOM 577 C PRO A 39 -11.882 -4.988 -15.076 1.00 0.00 C ATOM 578 O PRO A 39 -11.171 -4.024 -15.315 1.00 0.00 O ATOM 579 CB PRO A 39 -13.819 -4.812 -16.834 1.00 0.00 C ATOM 580 CG PRO A 39 -14.217 -3.322 -16.968 1.00 0.00 C ATOM 581 CD PRO A 39 -14.940 -3.055 -15.632 1.00 0.00 C ATOM 0 HA PRO A 39 -13.735 -5.920 -14.939 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.996 -5.067 -17.501 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.650 -5.471 -17.086 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.347 -2.678 -17.095 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.869 -3.150 -17.825 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.012 -1.991 -15.406 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.955 -3.451 -15.625 1.00 0.00 H new ATOM 589 N LEU A 40 -11.408 -6.111 -14.586 1.00 0.00 N ATOM 590 CA LEU A 40 -9.972 -6.349 -14.268 1.00 0.00 C ATOM 591 C LEU A 40 -9.031 -5.564 -15.178 1.00 0.00 C ATOM 592 O LEU A 40 -8.087 -4.951 -14.718 1.00 0.00 O ATOM 593 CB LEU A 40 -9.774 -7.864 -14.378 1.00 0.00 C ATOM 594 CG LEU A 40 -10.315 -8.697 -13.175 1.00 0.00 C ATOM 595 CD1 LEU A 40 -9.586 -8.287 -11.900 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.826 -8.470 -12.954 1.00 0.00 C ATOM 0 H LEU A 40 -12.002 -6.916 -14.385 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.725 -5.992 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.262 -8.212 -15.288 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.709 -8.067 -14.490 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.145 -9.749 -13.405 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.965 -8.870 -11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.518 -8.471 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.753 -7.227 -11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.164 -9.068 -12.107 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.009 -7.415 -12.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.373 -8.767 -13.849 1.00 0.00 H new ATOM 608 N SER A 41 -9.379 -5.661 -16.438 1.00 0.00 N ATOM 609 CA SER A 41 -8.645 -4.998 -17.551 1.00 0.00 C ATOM 610 C SER A 41 -7.870 -3.753 -17.115 1.00 0.00 C ATOM 611 O SER A 41 -6.730 -3.592 -17.495 1.00 0.00 O ATOM 612 CB SER A 41 -9.682 -4.642 -18.681 1.00 0.00 C ATOM 613 OG SER A 41 -10.635 -3.726 -18.130 1.00 0.00 O ATOM 0 H SER A 41 -10.185 -6.203 -16.750 1.00 0.00 H new ATOM 0 HA SER A 41 -7.891 -5.693 -17.919 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.176 -4.197 -19.537 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.181 -5.543 -19.039 1.00 0.00 H new ATOM 0 HG SER A 41 -10.678 -3.844 -17.158 1.00 0.00 H new ATOM 619 N TRP A 42 -8.465 -2.894 -16.330 1.00 0.00 N ATOM 620 CA TRP A 42 -7.663 -1.690 -15.931 1.00 0.00 C ATOM 621 C TRP A 42 -6.779 -1.968 -14.707 1.00 0.00 C ATOM 622 O TRP A 42 -5.580 -1.794 -14.740 1.00 0.00 O ATOM 623 CB TRP A 42 -8.591 -0.540 -15.590 1.00 0.00 C ATOM 624 CG TRP A 42 -7.738 0.743 -15.544 1.00 0.00 C ATOM 625 CD1 TRP A 42 -7.715 1.591 -16.598 1.00 0.00 C ATOM 626 CD2 TRP A 42 -6.923 1.227 -14.552 1.00 0.00 C ATOM 627 NE1 TRP A 42 -6.895 2.530 -16.194 1.00 0.00 N ATOM 628 CE2 TRP A 42 -6.370 2.409 -15.000 1.00 0.00 C ATOM 629 CE3 TRP A 42 -6.548 0.796 -13.290 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -5.494 3.154 -14.251 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -5.655 1.538 -12.520 1.00 0.00 C ATOM 632 CH2 TRP A 42 -5.129 2.723 -12.999 1.00 0.00 C ATOM 0 H TRP A 42 -9.415 -2.959 -15.963 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.024 -1.438 -16.778 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.380 -0.450 -16.336 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.078 -0.712 -14.630 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.241 1.513 -17.538 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.673 3.328 -16.789 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.953 -0.126 -12.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.093 4.076 -14.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.371 1.184 -11.540 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.442 3.301 -12.398 1.00 0.00 H new ATOM 643 N ARG A 43 -7.411 -2.410 -13.649 1.00 0.00 N ATOM 644 CA ARG A 43 -6.695 -2.727 -12.360 1.00 0.00 C ATOM 645 C ARG A 43 -5.433 -3.564 -12.606 1.00 0.00 C ATOM 646 O ARG A 43 -4.427 -3.357 -11.965 1.00 0.00 O ATOM 647 CB ARG A 43 -7.642 -3.497 -11.412 1.00 0.00 C ATOM 648 CG ARG A 43 -8.759 -2.638 -10.744 1.00 0.00 C ATOM 649 CD ARG A 43 -9.638 -2.055 -11.824 1.00 0.00 C ATOM 650 NE ARG A 43 -10.737 -1.301 -11.154 1.00 0.00 N ATOM 651 CZ ARG A 43 -10.767 -0.035 -11.186 1.00 0.00 C ATOM 652 NH1 ARG A 43 -10.611 0.538 -12.305 1.00 0.00 N ATOM 653 NH2 ARG A 43 -10.955 0.545 -10.091 1.00 0.00 N ATOM 0 H ARG A 43 -8.418 -2.570 -13.618 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.395 -1.783 -11.905 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.114 -4.304 -11.973 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.045 -3.961 -10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.352 -3.252 -10.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.316 -1.841 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.061 -1.395 -12.472 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.045 -2.846 -12.454 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.473 -1.811 -10.665 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.466 -0.019 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.630 1.556 -12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.074 -0.002 -9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.989 1.564 -10.053 1.00 0.00 H new ATOM 667 N SER A 44 -5.548 -4.491 -13.530 1.00 0.00 N ATOM 668 CA SER A 44 -4.383 -5.388 -13.883 1.00 0.00 C ATOM 669 C SER A 44 -3.424 -4.626 -14.808 1.00 0.00 C ATOM 670 O SER A 44 -2.243 -4.606 -14.544 1.00 0.00 O ATOM 671 CB SER A 44 -4.919 -6.637 -14.586 1.00 0.00 C ATOM 672 OG SER A 44 -5.540 -6.094 -15.748 1.00 0.00 O ATOM 0 H SER A 44 -6.400 -4.670 -14.061 1.00 0.00 H new ATOM 0 HA SER A 44 -3.844 -5.685 -12.983 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.120 -7.334 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.629 -7.180 -13.963 1.00 0.00 H new ATOM 0 HG SER A 44 -6.456 -5.821 -15.532 1.00 0.00 H new ATOM 678 N LYS A 45 -3.951 -4.045 -15.858 1.00 0.00 N ATOM 679 CA LYS A 45 -3.146 -3.246 -16.849 1.00 0.00 C ATOM 680 C LYS A 45 -2.188 -2.274 -16.117 1.00 0.00 C ATOM 681 O LYS A 45 -1.009 -2.220 -16.413 1.00 0.00 O ATOM 682 CB LYS A 45 -4.154 -2.493 -17.730 1.00 0.00 C ATOM 683 CG LYS A 45 -3.475 -1.460 -18.669 1.00 0.00 C ATOM 684 CD LYS A 45 -4.636 -0.647 -19.367 1.00 0.00 C ATOM 685 CE LYS A 45 -4.180 0.704 -19.987 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.414 1.428 -20.449 1.00 0.00 N ATOM 0 H LYS A 45 -4.945 -4.092 -16.081 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.517 -3.892 -17.462 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.713 -3.211 -18.330 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.875 -1.980 -17.093 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.822 -0.794 -18.104 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.854 -1.962 -19.411 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.077 -1.264 -20.150 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.420 -0.453 -18.635 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.638 1.300 -19.252 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.501 0.533 -20.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.210 1.931 -21.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.179 0.742 -20.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.708 2.112 -19.723 1.00 0.00 H new ATOM 700 N TYR A 46 -2.779 -1.553 -15.193 1.00 0.00 N ATOM 701 CA TYR A 46 -2.060 -0.537 -14.354 1.00 0.00 C ATOM 702 C TYR A 46 -1.854 -1.060 -12.908 1.00 0.00 C ATOM 703 O TYR A 46 -2.032 -2.217 -12.598 1.00 0.00 O ATOM 704 CB TYR A 46 -2.933 0.752 -14.376 1.00 0.00 C ATOM 705 CG TYR A 46 -2.192 1.961 -14.978 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.916 2.000 -16.329 1.00 0.00 C ATOM 707 CD2 TYR A 46 -1.793 3.026 -14.187 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.248 3.091 -16.878 1.00 0.00 C ATOM 709 CE2 TYR A 46 -1.131 4.105 -14.743 1.00 0.00 C ATOM 710 CZ TYR A 46 -0.854 4.144 -16.088 1.00 0.00 C ATOM 711 OH TYR A 46 -0.185 5.224 -16.631 1.00 0.00 O ATOM 0 H TYR A 46 -3.773 -1.631 -14.977 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.064 -0.333 -14.748 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.839 0.563 -14.952 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.246 0.992 -13.360 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.219 1.181 -16.964 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.001 3.013 -13.127 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.037 3.110 -17.937 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.828 4.927 -14.112 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.769 6.011 -16.618 1.00 0.00 H new ATOM 721 N GLY A 47 -1.465 -0.197 -12.008 1.00 0.00 N ATOM 722 CA GLY A 47 -1.245 -0.629 -10.566 1.00 0.00 C ATOM 723 C GLY A 47 -2.219 0.051 -9.596 1.00 0.00 C ATOM 724 O GLY A 47 -2.894 0.990 -9.963 1.00 0.00 O ATOM 0 H GLY A 47 -1.286 0.790 -12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.359 -1.711 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.222 -0.396 -10.272 1.00 0.00 H new ATOM 728 N TRP A 48 -2.284 -0.401 -8.371 1.00 0.00 N ATOM 729 CA TRP A 48 -3.230 0.222 -7.361 1.00 0.00 C ATOM 730 C TRP A 48 -2.859 -0.109 -5.936 1.00 0.00 C ATOM 731 O TRP A 48 -3.372 -1.015 -5.311 1.00 0.00 O ATOM 732 CB TRP A 48 -4.674 -0.245 -7.730 1.00 0.00 C ATOM 733 CG TRP A 48 -4.936 -1.729 -7.500 1.00 0.00 C ATOM 734 CD1 TRP A 48 -3.997 -2.713 -7.613 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.127 -2.259 -7.162 1.00 0.00 C ATOM 736 NE1 TRP A 48 -4.669 -3.805 -7.330 1.00 0.00 N ATOM 737 CE2 TRP A 48 -5.949 -3.606 -7.050 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.394 -1.757 -6.925 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.966 -4.427 -6.716 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.445 -2.608 -6.583 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.241 -3.964 -6.475 1.00 0.00 C ATOM 0 H TRP A 48 -1.726 -1.176 -8.013 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.165 1.309 -7.411 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.390 0.332 -7.145 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.860 -0.014 -8.779 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.953 -2.617 -7.873 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.241 -4.731 -7.326 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.571 -0.695 -7.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.774 -5.487 -6.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.428 -2.199 -6.401 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.045 -4.636 -6.213 1.00 0.00 H new ATOM 752 N THR A 49 -1.944 0.688 -5.465 1.00 0.00 N ATOM 753 CA THR A 49 -1.438 0.516 -4.074 1.00 0.00 C ATOM 754 C THR A 49 -2.310 1.199 -3.028 1.00 0.00 C ATOM 755 O THR A 49 -3.467 1.540 -3.199 1.00 0.00 O ATOM 756 CB THR A 49 0.019 1.083 -3.996 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.012 2.412 -4.511 1.00 0.00 O ATOM 758 CG2 THR A 49 0.907 0.376 -4.976 1.00 0.00 C ATOM 0 H THR A 49 -1.521 1.456 -5.986 1.00 0.00 H new ATOM 0 HA THR A 49 -1.460 -0.550 -3.847 1.00 0.00 H new ATOM 0 HB THR A 49 0.367 0.988 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.888 2.798 -4.475 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.917 0.781 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.928 -0.689 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.523 0.521 -5.986 1.00 0.00 H new ATOM 766 N ALA A 50 -1.698 1.372 -1.902 1.00 0.00 N ATOM 767 CA ALA A 50 -2.397 2.021 -0.775 1.00 0.00 C ATOM 768 C ALA A 50 -1.772 3.401 -0.556 1.00 0.00 C ATOM 769 O ALA A 50 -0.848 3.809 -1.240 1.00 0.00 O ATOM 770 CB ALA A 50 -2.212 1.082 0.425 1.00 0.00 C ATOM 0 H ALA A 50 -0.736 1.090 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.462 2.180 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.708 1.505 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.647 0.109 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.149 0.964 0.634 1.00 0.00 H new ATOM 776 N PHE A 51 -2.314 4.094 0.395 1.00 0.00 N ATOM 777 CA PHE A 51 -1.778 5.453 0.720 1.00 0.00 C ATOM 778 C PHE A 51 -0.938 5.161 1.988 1.00 0.00 C ATOM 779 O PHE A 51 -1.367 4.420 2.852 1.00 0.00 O ATOM 780 CB PHE A 51 -2.991 6.425 0.971 1.00 0.00 C ATOM 781 CG PHE A 51 -3.738 6.189 2.294 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.240 6.706 3.477 1.00 0.00 C ATOM 783 CD2 PHE A 51 -4.915 5.468 2.329 1.00 0.00 C ATOM 784 CE1 PHE A 51 -3.904 6.504 4.670 1.00 0.00 C ATOM 785 CE2 PHE A 51 -5.578 5.266 3.521 1.00 0.00 C ATOM 786 CZ PHE A 51 -5.074 5.784 4.691 1.00 0.00 C ATOM 0 H PHE A 51 -3.103 3.788 0.965 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.183 5.940 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.626 7.452 0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.697 6.323 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.321 7.274 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.320 5.059 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.504 6.912 5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.497 4.699 3.536 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.596 5.625 5.623 1.00 0.00 H new ATOM 796 N CYS A 52 0.245 5.703 2.085 1.00 0.00 N ATOM 797 CA CYS A 52 1.086 5.439 3.307 1.00 0.00 C ATOM 798 C CYS A 52 2.148 6.535 3.423 1.00 0.00 C ATOM 799 O CYS A 52 2.372 7.222 2.448 1.00 0.00 O ATOM 800 CB CYS A 52 1.742 4.060 3.148 1.00 0.00 C ATOM 801 SG CYS A 52 2.214 3.192 4.661 1.00 0.00 S ATOM 0 H CYS A 52 0.669 6.311 1.385 1.00 0.00 H new ATOM 0 HA CYS A 52 0.479 5.446 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.056 3.421 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.635 4.179 2.534 1.00 0.00 H new ATOM 806 N GLY A 53 2.764 6.679 4.568 1.00 0.00 N ATOM 807 CA GLY A 53 3.821 7.746 4.736 1.00 0.00 C ATOM 808 C GLY A 53 3.278 9.105 5.231 1.00 0.00 C ATOM 809 O GLY A 53 2.139 9.432 4.981 1.00 0.00 O ATOM 0 H GLY A 53 2.588 6.111 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.572 7.389 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.325 7.895 3.781 1.00 0.00 H new ATOM 813 N PRO A 54 4.074 9.906 5.908 1.00 0.00 N ATOM 814 CA PRO A 54 3.636 11.272 6.344 1.00 0.00 C ATOM 815 C PRO A 54 3.664 12.298 5.178 1.00 0.00 C ATOM 816 O PRO A 54 3.506 13.494 5.349 1.00 0.00 O ATOM 817 CB PRO A 54 4.612 11.580 7.483 1.00 0.00 C ATOM 818 CG PRO A 54 5.932 10.950 6.948 1.00 0.00 C ATOM 819 CD PRO A 54 5.470 9.597 6.345 1.00 0.00 C ATOM 0 HA PRO A 54 2.597 11.326 6.670 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.711 12.651 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.297 11.131 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.404 11.584 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.660 10.806 7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.099 9.287 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.498 8.793 7.080 1.00 0.00 H new ATOM 827 N ALA A 55 3.829 11.809 3.979 1.00 0.00 N ATOM 828 CA ALA A 55 3.884 12.725 2.792 1.00 0.00 C ATOM 829 C ALA A 55 2.478 13.172 2.318 1.00 0.00 C ATOM 830 O ALA A 55 2.130 13.026 1.166 1.00 0.00 O ATOM 831 CB ALA A 55 4.649 11.947 1.691 1.00 0.00 C ATOM 0 H ALA A 55 3.928 10.817 3.765 1.00 0.00 H new ATOM 0 HA ALA A 55 4.392 13.655 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.723 12.563 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.650 11.702 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.113 11.028 1.456 1.00 0.00 H new ATOM 837 N GLY A 56 1.714 13.736 3.214 1.00 0.00 N ATOM 838 CA GLY A 56 0.318 14.221 2.889 1.00 0.00 C ATOM 839 C GLY A 56 -0.649 13.067 2.538 1.00 0.00 C ATOM 840 O GLY A 56 -1.210 13.075 1.461 1.00 0.00 O ATOM 0 H GLY A 56 1.995 13.889 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.077 14.774 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.366 14.917 2.051 1.00 0.00 H new ATOM 844 N PRO A 57 -0.822 12.111 3.422 1.00 0.00 N ATOM 845 CA PRO A 57 -1.841 11.027 3.270 1.00 0.00 C ATOM 846 C PRO A 57 -3.274 11.497 2.856 1.00 0.00 C ATOM 847 O PRO A 57 -4.024 12.029 3.651 1.00 0.00 O ATOM 848 CB PRO A 57 -1.764 10.293 4.648 1.00 0.00 C ATOM 849 CG PRO A 57 -1.125 11.340 5.596 1.00 0.00 C ATOM 850 CD PRO A 57 -0.062 11.970 4.695 1.00 0.00 C ATOM 0 HA PRO A 57 -1.623 10.374 2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.752 9.991 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.158 9.389 4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.852 12.073 5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.689 10.878 6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.287 12.930 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.816 11.333 4.584 1.00 0.00 H new ATOM 858 N ARG A 58 -3.602 11.277 1.608 1.00 0.00 N ATOM 859 CA ARG A 58 -4.933 11.663 1.048 1.00 0.00 C ATOM 860 C ARG A 58 -5.785 10.396 1.007 1.00 0.00 C ATOM 861 O ARG A 58 -5.524 9.488 0.243 1.00 0.00 O ATOM 862 CB ARG A 58 -4.713 12.274 -0.373 1.00 0.00 C ATOM 863 CG ARG A 58 -5.967 13.131 -0.732 1.00 0.00 C ATOM 864 CD ARG A 58 -5.964 13.654 -2.173 1.00 0.00 C ATOM 865 NE ARG A 58 -5.066 14.862 -2.229 1.00 0.00 N ATOM 866 CZ ARG A 58 -4.355 15.161 -3.244 1.00 0.00 C ATOM 867 NH1 ARG A 58 -4.924 15.796 -4.184 1.00 0.00 N ATOM 868 NH2 ARG A 58 -3.137 14.798 -3.214 1.00 0.00 N ATOM 0 H ARG A 58 -2.981 10.831 0.933 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.443 12.413 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.814 12.890 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.569 11.483 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.863 12.531 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.026 13.977 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.609 12.883 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.975 13.916 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.025 15.472 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.910 16.045 -4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.395 16.057 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.775 14.294 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.522 15.011 -3.999 1.00 0.00 H new ATOM 882 N GLY A 59 -6.777 10.387 1.862 1.00 0.00 N ATOM 883 CA GLY A 59 -7.725 9.219 1.962 1.00 0.00 C ATOM 884 C GLY A 59 -9.111 9.685 1.521 1.00 0.00 C ATOM 885 O GLY A 59 -9.477 9.420 0.398 1.00 0.00 O ATOM 0 H GLY A 59 -6.978 11.150 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.383 8.398 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.758 8.844 2.985 1.00 0.00 H new ATOM 889 N GLN A 60 -9.839 10.357 2.387 1.00 0.00 N ATOM 890 CA GLN A 60 -11.230 10.874 2.063 1.00 0.00 C ATOM 891 C GLN A 60 -11.540 10.986 0.536 1.00 0.00 C ATOM 892 O GLN A 60 -12.037 10.067 -0.085 1.00 0.00 O ATOM 893 CB GLN A 60 -11.376 12.268 2.749 1.00 0.00 C ATOM 894 CG GLN A 60 -11.266 12.171 4.299 1.00 0.00 C ATOM 895 CD GLN A 60 -11.300 13.588 4.877 1.00 0.00 C ATOM 896 OE1 GLN A 60 -10.608 14.468 4.419 1.00 0.00 O ATOM 897 NE2 GLN A 60 -12.062 13.890 5.873 1.00 0.00 N ATOM 0 H GLN A 60 -9.525 10.578 3.332 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.953 10.150 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.605 12.940 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.338 12.705 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.088 11.578 4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.341 11.668 4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.662 13.178 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.064 14.840 6.243 1.00 0.00 H new ATOM 906 N ALA A 61 -11.244 12.127 -0.030 1.00 0.00 N ATOM 907 CA ALA A 61 -11.479 12.364 -1.487 1.00 0.00 C ATOM 908 C ALA A 61 -10.205 11.950 -2.288 1.00 0.00 C ATOM 909 O ALA A 61 -9.743 12.663 -3.156 1.00 0.00 O ATOM 910 CB ALA A 61 -11.833 13.862 -1.629 1.00 0.00 C ATOM 0 H ALA A 61 -10.841 12.921 0.467 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.295 11.766 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.016 14.095 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.728 14.081 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.005 14.468 -1.262 1.00 0.00 H new ATOM 916 N ALA A 62 -9.656 10.804 -1.978 1.00 0.00 N ATOM 917 CA ALA A 62 -8.424 10.324 -2.690 1.00 0.00 C ATOM 918 C ALA A 62 -8.651 9.120 -3.644 1.00 0.00 C ATOM 919 O ALA A 62 -7.703 8.625 -4.226 1.00 0.00 O ATOM 920 CB ALA A 62 -7.405 9.957 -1.608 1.00 0.00 C ATOM 0 H ALA A 62 -10.008 10.173 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.077 11.125 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.488 9.601 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.185 10.836 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.816 9.172 -0.973 1.00 0.00 H new ATOM 926 N CYS A 63 -9.877 8.691 -3.817 1.00 0.00 N ATOM 927 CA CYS A 63 -10.114 7.522 -4.730 1.00 0.00 C ATOM 928 C CYS A 63 -10.159 7.955 -6.217 1.00 0.00 C ATOM 929 O CYS A 63 -10.893 7.446 -7.042 1.00 0.00 O ATOM 930 CB CYS A 63 -11.437 6.863 -4.289 1.00 0.00 C ATOM 931 SG CYS A 63 -11.767 5.299 -5.131 1.00 0.00 S ATOM 0 H CYS A 63 -10.709 9.086 -3.378 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.291 6.811 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.409 6.690 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.260 7.552 -4.480 1.00 0.00 H new ATOM 936 N GLY A 64 -9.336 8.927 -6.505 1.00 0.00 N ATOM 937 CA GLY A 64 -9.209 9.500 -7.884 1.00 0.00 C ATOM 938 C GLY A 64 -7.787 10.014 -8.097 1.00 0.00 C ATOM 939 O GLY A 64 -7.573 10.955 -8.832 1.00 0.00 O ATOM 0 H GLY A 64 -8.723 9.365 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.447 8.740 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.924 10.312 -8.018 1.00 0.00 H new ATOM 943 N LYS A 65 -6.850 9.392 -7.430 1.00 0.00 N ATOM 944 CA LYS A 65 -5.424 9.810 -7.567 1.00 0.00 C ATOM 945 C LYS A 65 -4.484 8.601 -7.717 1.00 0.00 C ATOM 946 O LYS A 65 -4.752 7.496 -7.267 1.00 0.00 O ATOM 947 CB LYS A 65 -5.078 10.674 -6.305 1.00 0.00 C ATOM 948 CG LYS A 65 -5.750 12.078 -6.430 1.00 0.00 C ATOM 949 CD LYS A 65 -4.940 12.973 -7.430 1.00 0.00 C ATOM 950 CE LYS A 65 -5.797 14.179 -7.811 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.971 15.196 -8.547 1.00 0.00 N ATOM 0 H LYS A 65 -7.012 8.611 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.283 10.395 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.426 10.172 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.998 10.784 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.777 11.969 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.793 12.558 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.007 13.302 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.675 12.401 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.631 13.858 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.224 14.628 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.567 16.010 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.190 15.514 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.584 14.768 -9.413 1.00 0.00 H new ATOM 965 N CYS A 66 -3.378 8.861 -8.355 1.00 0.00 N ATOM 966 CA CYS A 66 -2.345 7.816 -8.589 1.00 0.00 C ATOM 967 C CYS A 66 -1.006 8.288 -7.971 1.00 0.00 C ATOM 968 O CYS A 66 -0.813 9.433 -7.623 1.00 0.00 O ATOM 969 CB CYS A 66 -2.305 7.631 -10.111 1.00 0.00 C ATOM 970 SG CYS A 66 -3.877 7.121 -10.846 1.00 0.00 S ATOM 0 H CYS A 66 -3.142 9.778 -8.733 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.558 6.857 -8.117 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.991 8.568 -10.570 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.546 6.887 -10.354 1.00 0.00 H new ATOM 975 N LEU A 67 -0.094 7.392 -7.829 1.00 0.00 N ATOM 976 CA LEU A 67 1.249 7.694 -7.246 1.00 0.00 C ATOM 977 C LEU A 67 2.343 7.233 -8.190 1.00 0.00 C ATOM 978 O LEU A 67 2.324 6.094 -8.625 1.00 0.00 O ATOM 979 CB LEU A 67 1.309 6.970 -5.885 1.00 0.00 C ATOM 980 CG LEU A 67 1.153 7.991 -4.752 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.570 7.274 -3.518 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.553 8.504 -4.382 1.00 0.00 C ATOM 0 H LEU A 67 -0.217 6.417 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 67 1.401 8.764 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.519 6.221 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.257 6.442 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 67 0.502 8.808 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.453 7.989 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.402 6.849 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.245 6.477 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.472 9.234 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.172 7.669 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.010 8.974 -5.253 1.00 0.00 H new ATOM 994 N ARG A 68 3.269 8.095 -8.479 1.00 0.00 N ATOM 995 CA ARG A 68 4.352 7.671 -9.398 1.00 0.00 C ATOM 996 C ARG A 68 5.434 7.206 -8.428 1.00 0.00 C ATOM 997 O ARG A 68 5.814 7.941 -7.528 1.00 0.00 O ATOM 998 CB ARG A 68 4.809 8.885 -10.241 1.00 0.00 C ATOM 999 CG ARG A 68 5.999 8.482 -11.162 1.00 0.00 C ATOM 1000 CD ARG A 68 6.366 9.668 -12.068 1.00 0.00 C ATOM 1001 NE ARG A 68 6.954 10.744 -11.194 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.852 11.555 -11.604 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.630 12.180 -12.684 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.900 11.683 -10.902 1.00 0.00 N ATOM 0 H ARG A 68 3.325 9.052 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 68 4.076 6.898 -10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.979 9.250 -10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.108 9.702 -9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.859 8.191 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.728 7.617 -11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.082 9.360 -12.830 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.484 10.038 -12.590 1.00 0.00 H new ATOM 0 HE ARG A 68 6.621 10.829 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.759 12.027 -13.192 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.322 12.837 -13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.005 11.147 -10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.638 12.322 -11.199 1.00 0.00 H new ATOM 1018 N VAL A 69 5.866 6.000 -8.671 1.00 0.00 N ATOM 1019 CA VAL A 69 6.922 5.334 -7.853 1.00 0.00 C ATOM 1020 C VAL A 69 8.082 5.111 -8.830 1.00 0.00 C ATOM 1021 O VAL A 69 7.911 4.532 -9.888 1.00 0.00 O ATOM 1022 CB VAL A 69 6.383 3.973 -7.303 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.444 3.286 -6.406 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.117 4.190 -6.460 1.00 0.00 C ATOM 0 H VAL A 69 5.515 5.424 -9.436 1.00 0.00 H new ATOM 0 HA VAL A 69 7.228 5.924 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 69 6.156 3.343 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.049 2.341 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.346 3.098 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.684 3.935 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.759 3.230 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.348 4.843 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.345 4.651 -7.076 1.00 0.00 H new ATOM 1034 N THR A 70 9.224 5.589 -8.418 1.00 0.00 N ATOM 1035 CA THR A 70 10.492 5.481 -9.230 1.00 0.00 C ATOM 1036 C THR A 70 11.584 4.845 -8.377 1.00 0.00 C ATOM 1037 O THR A 70 11.596 5.003 -7.169 1.00 0.00 O ATOM 1038 CB THR A 70 10.998 6.899 -9.697 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.276 7.243 -10.872 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.452 6.889 -10.231 1.00 0.00 C ATOM 0 H THR A 70 9.344 6.067 -7.525 1.00 0.00 H new ATOM 0 HA THR A 70 10.276 4.873 -10.109 1.00 0.00 H new ATOM 0 HB THR A 70 10.890 7.555 -8.833 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.055 8.198 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.735 7.897 -10.535 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.125 6.544 -9.446 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.520 6.219 -11.088 1.00 0.00 H new ATOM 1048 N ASN A 71 12.472 4.160 -9.040 1.00 0.00 N ATOM 1049 CA ASN A 71 13.606 3.484 -8.352 1.00 0.00 C ATOM 1050 C ASN A 71 14.968 4.166 -8.701 1.00 0.00 C ATOM 1051 O ASN A 71 15.227 4.378 -9.872 1.00 0.00 O ATOM 1052 CB ASN A 71 13.583 2.033 -8.811 1.00 0.00 C ATOM 1053 CG ASN A 71 14.649 1.259 -8.069 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.494 1.766 -7.366 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.656 -0.017 -8.196 1.00 0.00 N ATOM 0 H ASN A 71 12.459 4.038 -10.053 1.00 0.00 H new ATOM 0 HA ASN A 71 13.502 3.553 -7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.602 1.595 -8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.757 1.976 -9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.360 -0.574 -7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.957 -0.475 -8.781 1.00 0.00 H new ATOM 1062 N PRO A 72 15.801 4.479 -7.725 1.00 0.00 N ATOM 1063 CA PRO A 72 17.183 4.970 -8.014 1.00 0.00 C ATOM 1064 C PRO A 72 18.139 3.891 -8.569 1.00 0.00 C ATOM 1065 O PRO A 72 19.043 4.185 -9.326 1.00 0.00 O ATOM 1066 CB PRO A 72 17.700 5.548 -6.687 1.00 0.00 C ATOM 1067 CG PRO A 72 16.553 5.380 -5.639 1.00 0.00 C ATOM 1068 CD PRO A 72 15.512 4.421 -6.259 1.00 0.00 C ATOM 0 HA PRO A 72 17.148 5.713 -8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.599 5.024 -6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.967 6.599 -6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.941 4.976 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.099 6.343 -5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.620 3.408 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.493 4.740 -6.039 1.00 0.00 H new ATOM 1076 N ALA A 73 17.927 2.663 -8.189 1.00 0.00 N ATOM 1077 CA ALA A 73 18.797 1.539 -8.662 1.00 0.00 C ATOM 1078 C ALA A 73 18.635 1.144 -10.152 1.00 0.00 C ATOM 1079 O ALA A 73 19.618 1.064 -10.860 1.00 0.00 O ATOM 1080 CB ALA A 73 18.501 0.352 -7.724 1.00 0.00 C ATOM 0 H ALA A 73 17.176 2.381 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 73 19.836 1.864 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.108 -0.504 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.740 0.631 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.445 0.089 -7.792 1.00 0.00 H new ATOM 1086 N THR A 74 17.432 0.905 -10.598 1.00 0.00 N ATOM 1087 CA THR A 74 17.247 0.516 -12.047 1.00 0.00 C ATOM 1088 C THR A 74 16.884 1.730 -12.888 1.00 0.00 C ATOM 1089 O THR A 74 16.962 1.695 -14.101 1.00 0.00 O ATOM 1090 CB THR A 74 16.114 -0.521 -12.201 1.00 0.00 C ATOM 1091 OG1 THR A 74 14.968 0.167 -11.696 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.310 -1.685 -11.243 1.00 0.00 C ATOM 0 H THR A 74 16.578 0.958 -10.043 1.00 0.00 H new ATOM 0 HA THR A 74 18.191 0.090 -12.387 1.00 0.00 H new ATOM 0 HB THR A 74 16.056 -0.888 -13.226 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.280 -0.484 -11.446 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.499 -2.402 -11.371 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.262 -2.173 -11.453 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.310 -1.316 -10.217 1.00 0.00 H new ATOM 1100 N GLY A 75 16.482 2.776 -12.212 1.00 0.00 N ATOM 1101 CA GLY A 75 16.091 4.045 -12.915 1.00 0.00 C ATOM 1102 C GLY A 75 14.685 3.898 -13.474 1.00 0.00 C ATOM 1103 O GLY A 75 14.151 4.798 -14.088 1.00 0.00 O ATOM 0 H GLY A 75 16.406 2.810 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.133 4.886 -12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.794 4.260 -13.720 1.00 0.00 H new ATOM 1107 N ALA A 76 14.120 2.743 -13.227 1.00 0.00 N ATOM 1108 CA ALA A 76 12.753 2.461 -13.719 1.00 0.00 C ATOM 1109 C ALA A 76 11.709 3.128 -12.816 1.00 0.00 C ATOM 1110 O ALA A 76 11.977 3.502 -11.686 1.00 0.00 O ATOM 1111 CB ALA A 76 12.623 0.941 -13.733 1.00 0.00 C ATOM 0 H ALA A 76 14.556 1.984 -12.702 1.00 0.00 H new ATOM 0 HA ALA A 76 12.581 2.866 -14.716 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.631 0.664 -14.089 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.377 0.517 -14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.768 0.554 -12.724 1.00 0.00 H new ATOM 1117 N GLN A 77 10.544 3.251 -13.388 1.00 0.00 N ATOM 1118 CA GLN A 77 9.387 3.870 -12.686 1.00 0.00 C ATOM 1119 C GLN A 77 8.030 3.364 -13.191 1.00 0.00 C ATOM 1120 O GLN A 77 7.850 3.022 -14.343 1.00 0.00 O ATOM 1121 CB GLN A 77 9.521 5.390 -12.857 1.00 0.00 C ATOM 1122 CG GLN A 77 9.668 5.827 -14.360 1.00 0.00 C ATOM 1123 CD GLN A 77 9.638 7.352 -14.533 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.759 7.886 -15.610 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.480 8.140 -13.520 1.00 0.00 N ATOM 0 H GLN A 77 10.342 2.940 -14.338 1.00 0.00 H new ATOM 0 HA GLN A 77 9.410 3.588 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.646 5.877 -12.426 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.388 5.738 -12.296 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.605 5.437 -14.759 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.863 5.382 -14.945 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.372 7.751 -12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.463 9.151 -13.658 1.00 0.00 H new ATOM 1134 N ILE A 78 7.112 3.342 -12.275 1.00 0.00 N ATOM 1135 CA ILE A 78 5.718 2.885 -12.537 1.00 0.00 C ATOM 1136 C ILE A 78 4.703 3.848 -11.870 1.00 0.00 C ATOM 1137 O ILE A 78 5.053 4.583 -10.965 1.00 0.00 O ATOM 1138 CB ILE A 78 5.640 1.457 -11.968 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.600 0.607 -12.736 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.274 1.478 -10.462 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.243 0.062 -14.038 1.00 0.00 C ATOM 0 H ILE A 78 7.275 3.635 -11.312 1.00 0.00 H new ATOM 0 HA ILE A 78 5.468 2.885 -13.598 1.00 0.00 H new ATOM 0 HB ILE A 78 6.625 1.007 -12.089 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.257 -0.219 -12.113 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.725 1.211 -12.974 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.225 0.456 -10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.033 2.033 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.305 1.960 -10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.512 -0.537 -14.581 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.564 0.896 -14.662 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.105 -0.556 -13.787 1.00 0.00 H new ATOM 1153 N THR A 79 3.481 3.815 -12.316 1.00 0.00 N ATOM 1154 CA THR A 79 2.420 4.706 -11.724 1.00 0.00 C ATOM 1155 C THR A 79 1.349 3.776 -11.148 1.00 0.00 C ATOM 1156 O THR A 79 0.781 2.973 -11.864 1.00 0.00 O ATOM 1157 CB THR A 79 1.869 5.613 -12.840 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.978 6.456 -13.127 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.841 6.611 -12.314 1.00 0.00 C ATOM 0 H THR A 79 3.159 3.208 -13.070 1.00 0.00 H new ATOM 0 HA THR A 79 2.796 5.356 -10.934 1.00 0.00 H new ATOM 0 HB THR A 79 1.442 5.007 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.735 7.085 -13.839 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.480 7.229 -13.136 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.004 6.072 -11.871 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.304 7.246 -11.559 1.00 0.00 H new ATOM 1167 N ALA A 80 1.096 3.898 -9.876 1.00 0.00 N ATOM 1168 CA ALA A 80 0.067 3.012 -9.242 1.00 0.00 C ATOM 1169 C ALA A 80 -1.160 3.802 -8.760 1.00 0.00 C ATOM 1170 O ALA A 80 -1.098 5.004 -8.631 1.00 0.00 O ATOM 1171 CB ALA A 80 0.784 2.299 -8.091 1.00 0.00 C ATOM 0 H ALA A 80 1.548 4.563 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.332 2.296 -9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.085 1.633 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.617 1.718 -8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.160 3.038 -7.383 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.237 3.105 -8.505 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.498 3.769 -8.030 1.00 0.00 C ATOM 1179 C ARG A 81 -3.736 3.784 -6.491 1.00 0.00 C ATOM 1180 O ARG A 81 -3.353 2.858 -5.808 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.638 3.035 -8.731 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.950 3.815 -8.460 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.610 4.049 -9.811 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.082 2.719 -10.357 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.552 1.816 -9.574 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -8.641 2.064 -8.992 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.904 0.736 -9.412 1.00 0.00 N ATOM 0 H ARG A 81 -2.302 2.092 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.428 4.828 -8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.448 2.971 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.719 2.013 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.608 3.248 -7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.741 4.762 -7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.451 4.735 -9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.905 4.512 -10.501 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.026 2.537 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.113 2.954 -9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.051 1.375 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.020 0.593 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.267 0.011 -8.793 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.343 4.819 -5.969 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.607 4.858 -4.485 1.00 0.00 C ATOM 1203 C ILE A 82 -5.990 4.219 -4.224 1.00 0.00 C ATOM 1204 O ILE A 82 -7.001 4.783 -4.599 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.589 6.339 -3.991 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.136 6.887 -4.192 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.997 6.369 -2.485 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.962 8.300 -3.584 1.00 0.00 C ATOM 0 H ILE A 82 -4.666 5.633 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.839 4.306 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.291 6.960 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.423 6.203 -3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.904 6.919 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.989 7.398 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.998 5.953 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.290 5.777 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.940 8.642 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.656 8.990 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.168 8.264 -2.514 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.016 3.055 -3.623 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.336 2.385 -3.341 1.00 0.00 C ATOM 1222 C VAL A 83 -7.527 1.874 -1.898 1.00 0.00 C ATOM 1223 O VAL A 83 -8.616 1.929 -1.346 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.492 1.206 -4.350 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.707 -0.067 -3.924 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.977 0.884 -4.455 1.00 0.00 C ATOM 0 H VAL A 83 -5.192 2.539 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.108 3.145 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.075 1.514 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.855 -0.851 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.645 0.168 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.070 -0.411 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.122 0.061 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.357 0.598 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.515 1.762 -4.811 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.438 1.385 -1.359 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.426 0.828 0.032 1.00 0.00 C ATOM 1238 C ASP A 84 -5.537 1.620 1.062 1.00 0.00 C ATOM 1239 O ASP A 84 -4.925 2.639 0.792 1.00 0.00 O ATOM 1240 CB ASP A 84 -5.967 -0.645 -0.174 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.226 -1.568 1.009 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.099 -1.270 1.814 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.504 -2.543 1.010 1.00 0.00 O ATOM 0 H ASP A 84 -5.536 1.347 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.407 0.910 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.475 -1.049 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.899 -0.650 -0.394 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.494 1.092 2.250 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.695 1.700 3.378 1.00 0.00 C ATOM 1250 C GLN A 85 -3.544 0.748 3.765 1.00 0.00 C ATOM 1251 O GLN A 85 -3.777 -0.444 3.782 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.676 1.906 4.549 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.957 2.232 5.903 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.014 2.312 7.009 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.913 1.505 7.092 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.981 3.248 7.897 1.00 0.00 N ATOM 0 H GLN A 85 -5.990 0.238 2.506 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.244 2.651 3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.360 2.718 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.279 1.007 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.222 1.461 6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.416 3.175 5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.243 3.952 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.693 3.284 8.627 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.370 1.268 4.061 1.00 0.00 N ATOM 1266 CA CYS A 86 -1.273 0.319 4.439 1.00 0.00 C ATOM 1267 C CYS A 86 -1.484 -0.076 5.914 1.00 0.00 C ATOM 1268 O CYS A 86 -2.006 0.682 6.711 1.00 0.00 O ATOM 1269 CB CYS A 86 0.101 1.019 4.263 1.00 0.00 C ATOM 1270 SG CYS A 86 0.437 2.470 5.295 1.00 0.00 S ATOM 0 H CYS A 86 -2.133 2.260 4.058 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.291 -0.568 3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.881 0.282 4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.195 1.319 3.219 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.064 -1.261 6.257 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.220 -1.744 7.665 1.00 0.00 C ATOM 1277 C ALA A 87 0.142 -1.685 8.376 1.00 0.00 C ATOM 1278 O ALA A 87 0.266 -1.196 9.479 1.00 0.00 O ATOM 1279 CB ALA A 87 -1.786 -3.175 7.572 1.00 0.00 C ATOM 0 H ALA A 87 -0.616 -1.922 5.622 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.899 -1.126 8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.921 -3.579 8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.747 -3.154 7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.091 -3.806 7.017 1.00 0.00 H new ATOM 1285 N ASN A 88 1.133 -2.199 7.704 1.00 0.00 N ATOM 1286 CA ASN A 88 2.539 -2.227 8.237 1.00 0.00 C ATOM 1287 C ASN A 88 3.552 -1.462 7.346 1.00 0.00 C ATOM 1288 O ASN A 88 4.737 -1.427 7.632 1.00 0.00 O ATOM 1289 CB ASN A 88 2.896 -3.721 8.371 1.00 0.00 C ATOM 1290 CG ASN A 88 2.689 -4.454 7.040 1.00 0.00 C ATOM 1291 OD1 ASN A 88 2.085 -3.995 6.097 1.00 0.00 O ATOM 1292 ND2 ASN A 88 3.164 -5.636 6.877 1.00 0.00 N ATOM 0 H ASN A 88 1.031 -2.615 6.778 1.00 0.00 H new ATOM 0 HA ASN A 88 2.596 -1.708 9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.933 -3.824 8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.278 -4.179 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.021 -6.126 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.684 -6.085 7.631 1.00 0.00 H new ATOM 1299 N GLY A 89 3.030 -0.879 6.301 1.00 0.00 N ATOM 1300 CA GLY A 89 3.870 -0.098 5.327 1.00 0.00 C ATOM 1301 C GLY A 89 3.932 -0.853 3.987 1.00 0.00 C ATOM 1302 O GLY A 89 3.661 -2.038 3.917 1.00 0.00 O ATOM 0 H GLY A 89 2.037 -0.908 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.446 0.895 5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.875 0.041 5.726 1.00 0.00 H new ATOM 1306 N GLY A 90 4.296 -0.135 2.959 1.00 0.00 N ATOM 1307 CA GLY A 90 4.393 -0.765 1.592 1.00 0.00 C ATOM 1308 C GLY A 90 3.626 -0.047 0.474 1.00 0.00 C ATOM 1309 O GLY A 90 2.854 0.866 0.699 1.00 0.00 O ATOM 0 H GLY A 90 4.531 0.857 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.445 -0.818 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.028 -1.790 1.658 1.00 0.00 H new ATOM 1313 N LEU A 91 3.885 -0.525 -0.715 1.00 0.00 N ATOM 1314 CA LEU A 91 3.268 0.011 -1.992 1.00 0.00 C ATOM 1315 C LEU A 91 2.887 -1.177 -2.916 1.00 0.00 C ATOM 1316 O LEU A 91 3.429 -1.293 -4.001 1.00 0.00 O ATOM 1317 CB LEU A 91 4.304 0.915 -2.724 1.00 0.00 C ATOM 1318 CG LEU A 91 4.737 2.156 -1.925 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.935 2.807 -2.666 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.600 3.185 -1.912 1.00 0.00 C ATOM 0 H LEU A 91 4.528 -1.301 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 91 2.377 0.591 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.187 0.320 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.879 1.239 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 91 4.995 1.864 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.263 3.691 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.756 2.093 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.628 3.094 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.910 4.063 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.363 3.479 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.717 2.746 -1.447 1.00 0.00 H new ATOM 1332 N ASP A 92 1.978 -2.011 -2.478 1.00 0.00 N ATOM 1333 CA ASP A 92 1.555 -3.215 -3.299 1.00 0.00 C ATOM 1334 C ASP A 92 0.267 -3.915 -2.739 1.00 0.00 C ATOM 1335 O ASP A 92 -0.149 -3.505 -1.677 1.00 0.00 O ATOM 1336 CB ASP A 92 2.785 -4.137 -3.255 1.00 0.00 C ATOM 1337 CG ASP A 92 3.318 -4.169 -1.815 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.647 -4.731 -0.965 1.00 0.00 O ATOM 1339 OD2 ASP A 92 4.382 -3.600 -1.663 1.00 0.00 O ATOM 0 H ASP A 92 1.500 -1.919 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 92 1.272 -2.939 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.517 -5.142 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.555 -3.774 -3.936 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.344 -4.873 -3.419 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.572 -5.581 -2.848 1.00 0.00 C ATOM 1346 C LEU A 93 -1.383 -7.146 -2.764 1.00 0.00 C ATOM 1347 O LEU A 93 -1.031 -7.641 -1.716 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.795 -5.297 -3.716 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.536 -4.011 -3.309 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -2.653 -2.775 -3.365 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.607 -3.771 -4.313 1.00 0.00 C ATOM 0 H LEU A 93 -0.053 -5.199 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.711 -5.193 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.484 -5.216 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.482 -6.141 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.894 -4.156 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.232 -1.901 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.809 -2.900 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.284 -2.637 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.153 -2.864 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.161 -3.655 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.293 -4.618 -4.322 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.652 -7.921 -3.800 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.438 -9.416 -3.708 1.00 0.00 C ATOM 1365 C ASP A 94 0.003 -9.829 -4.159 1.00 0.00 C ATOM 1366 O ASP A 94 0.901 -10.046 -3.367 1.00 0.00 O ATOM 1367 CB ASP A 94 -2.547 -10.057 -4.557 1.00 0.00 C ATOM 1368 CG ASP A 94 -2.378 -11.570 -4.491 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -2.828 -12.140 -3.507 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -1.797 -12.046 -5.450 1.00 0.00 O ATOM 0 H ASP A 94 -2.007 -7.589 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.504 -9.767 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.529 -9.767 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.484 -9.712 -5.589 1.00 0.00 H new ATOM 1375 N TRP A 95 0.147 -9.911 -5.465 1.00 0.00 N ATOM 1376 CA TRP A 95 1.463 -10.285 -6.118 1.00 0.00 C ATOM 1377 C TRP A 95 2.347 -9.022 -6.325 1.00 0.00 C ATOM 1378 O TRP A 95 3.209 -8.950 -7.174 1.00 0.00 O ATOM 1379 CB TRP A 95 1.143 -10.998 -7.506 1.00 0.00 C ATOM 1380 CG TRP A 95 2.378 -11.052 -8.459 1.00 0.00 C ATOM 1381 CD1 TRP A 95 2.605 -10.169 -9.482 1.00 0.00 C ATOM 1382 CD2 TRP A 95 3.410 -11.929 -8.422 1.00 0.00 C ATOM 1383 NE1 TRP A 95 3.759 -10.576 -9.980 1.00 0.00 N ATOM 1384 CE2 TRP A 95 4.320 -11.621 -9.410 1.00 0.00 C ATOM 1385 CE3 TRP A 95 3.665 -12.995 -7.589 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 5.470 -12.359 -9.582 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 4.818 -13.743 -7.752 1.00 0.00 C ATOM 1388 CH2 TRP A 95 5.722 -13.429 -8.750 1.00 0.00 C ATOM 0 H TRP A 95 -0.608 -9.731 -6.127 1.00 0.00 H new ATOM 0 HA TRP A 95 2.022 -10.967 -5.478 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.793 -12.012 -7.316 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.330 -10.468 -8.002 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.990 -9.341 -9.803 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.195 -10.102 -10.771 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.964 -13.248 -6.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.170 -12.101 -10.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.013 -14.578 -7.095 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.619 -14.017 -8.877 1.00 0.00 H new ATOM 1399 N ASP A 96 2.149 -8.012 -5.534 1.00 0.00 N ATOM 1400 CA ASP A 96 2.972 -6.767 -5.682 1.00 0.00 C ATOM 1401 C ASP A 96 3.339 -6.295 -7.138 1.00 0.00 C ATOM 1402 O ASP A 96 4.486 -6.075 -7.495 1.00 0.00 O ATOM 1403 CB ASP A 96 4.227 -7.062 -4.813 1.00 0.00 C ATOM 1404 CG ASP A 96 3.850 -7.790 -3.513 1.00 0.00 C ATOM 1405 OD1 ASP A 96 2.867 -7.369 -2.937 1.00 0.00 O ATOM 1406 OD2 ASP A 96 4.585 -8.709 -3.201 1.00 0.00 O ATOM 0 H ASP A 96 1.454 -7.986 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 96 2.384 -5.906 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.930 -7.670 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.734 -6.127 -4.574 1.00 0.00 H new ATOM 1411 N THR A 97 2.323 -6.128 -7.963 1.00 0.00 N ATOM 1412 CA THR A 97 2.537 -5.671 -9.398 1.00 0.00 C ATOM 1413 C THR A 97 3.344 -4.367 -9.476 1.00 0.00 C ATOM 1414 O THR A 97 3.788 -3.965 -10.525 1.00 0.00 O ATOM 1415 CB THR A 97 1.199 -5.394 -10.164 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.660 -4.185 -9.676 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.071 -6.332 -9.765 1.00 0.00 C ATOM 0 H THR A 97 1.348 -6.287 -7.710 1.00 0.00 H new ATOM 0 HA THR A 97 3.073 -6.500 -9.859 1.00 0.00 H new ATOM 0 HB THR A 97 1.459 -5.455 -11.221 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.179 -3.989 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.826 -6.085 -10.333 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.362 -7.361 -9.976 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.133 -6.223 -8.700 1.00 0.00 H new ATOM 1425 N VAL A 98 3.487 -3.712 -8.364 1.00 0.00 N ATOM 1426 CA VAL A 98 4.254 -2.436 -8.287 1.00 0.00 C ATOM 1427 C VAL A 98 5.727 -2.815 -7.974 1.00 0.00 C ATOM 1428 O VAL A 98 6.639 -2.549 -8.732 1.00 0.00 O ATOM 1429 CB VAL A 98 3.523 -1.599 -7.198 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.079 -0.177 -7.063 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.061 -1.443 -7.650 1.00 0.00 C ATOM 0 H VAL A 98 3.092 -4.016 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 98 4.292 -1.835 -9.196 1.00 0.00 H new ATOM 0 HB VAL A 98 3.647 -2.115 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.529 0.357 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.134 -0.223 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.970 0.348 -8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.512 -0.860 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.030 -0.931 -8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.603 -2.427 -7.748 1.00 0.00 H new ATOM 1441 N PHE A 99 5.925 -3.469 -6.854 1.00 0.00 N ATOM 1442 CA PHE A 99 7.307 -3.893 -6.423 1.00 0.00 C ATOM 1443 C PHE A 99 8.094 -4.904 -7.292 1.00 0.00 C ATOM 1444 O PHE A 99 9.293 -4.759 -7.421 1.00 0.00 O ATOM 1445 CB PHE A 99 7.218 -4.470 -4.978 1.00 0.00 C ATOM 1446 CG PHE A 99 8.625 -4.813 -4.396 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.772 -4.140 -4.791 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.758 -5.817 -3.453 1.00 0.00 C ATOM 1449 CE1 PHE A 99 11.004 -4.457 -4.270 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.001 -6.135 -2.927 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.122 -5.454 -3.338 1.00 0.00 C ATOM 0 H PHE A 99 5.181 -3.733 -6.208 1.00 0.00 H new ATOM 0 HA PHE A 99 7.883 -2.973 -6.522 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.724 -3.747 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.600 -5.368 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.695 -3.350 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.884 -6.359 -3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.881 -3.918 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.089 -6.921 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.090 -5.703 -2.929 1.00 0.00 H new ATOM 1461 N THR A 100 7.494 -5.896 -7.898 1.00 0.00 N ATOM 1462 CA THR A 100 8.340 -6.866 -8.729 1.00 0.00 C ATOM 1463 C THR A 100 8.538 -6.390 -10.156 1.00 0.00 C ATOM 1464 O THR A 100 8.980 -7.124 -11.026 1.00 0.00 O ATOM 1465 CB THR A 100 7.664 -8.304 -8.766 1.00 0.00 C ATOM 1466 OG1 THR A 100 7.220 -8.638 -10.077 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.302 -8.269 -8.184 1.00 0.00 C ATOM 0 H THR A 100 6.493 -6.090 -7.869 1.00 0.00 H new ATOM 0 HA THR A 100 9.315 -6.914 -8.244 1.00 0.00 H new ATOM 0 HB THR A 100 8.410 -8.947 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.949 -8.493 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.864 -9.266 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.358 -7.937 -7.147 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.681 -7.578 -8.753 1.00 0.00 H new ATOM 1475 N LYS A 101 8.190 -5.153 -10.354 1.00 0.00 N ATOM 1476 CA LYS A 101 8.308 -4.527 -11.691 1.00 0.00 C ATOM 1477 C LYS A 101 9.447 -3.510 -11.734 1.00 0.00 C ATOM 1478 O LYS A 101 10.261 -3.548 -12.633 1.00 0.00 O ATOM 1479 CB LYS A 101 6.937 -3.908 -11.980 1.00 0.00 C ATOM 1480 CG LYS A 101 5.964 -5.089 -12.278 1.00 0.00 C ATOM 1481 CD LYS A 101 5.928 -5.406 -13.786 1.00 0.00 C ATOM 1482 CE LYS A 101 5.129 -6.686 -13.971 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.743 -6.818 -15.410 1.00 0.00 N ATOM 0 H LYS A 101 7.821 -4.538 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 101 8.565 -5.254 -12.461 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.588 -3.325 -11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.991 -3.228 -12.830 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.279 -5.973 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.962 -4.836 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.469 -4.586 -14.338 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.939 -5.527 -14.176 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.721 -7.547 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.238 -6.668 -13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.196 -7.692 -15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.164 -6.001 -15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.600 -6.853 -15.998 1.00 0.00 H new ATOM 1497 N ILE A 102 9.483 -2.625 -10.774 1.00 0.00 N ATOM 1498 CA ILE A 102 10.561 -1.594 -10.734 1.00 0.00 C ATOM 1499 C ILE A 102 11.980 -2.182 -10.669 1.00 0.00 C ATOM 1500 O ILE A 102 12.939 -1.447 -10.798 1.00 0.00 O ATOM 1501 CB ILE A 102 10.286 -0.686 -9.525 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.351 -1.514 -8.214 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.842 -0.106 -9.723 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.773 -0.581 -7.079 1.00 0.00 C ATOM 0 H ILE A 102 8.808 -2.572 -10.011 1.00 0.00 H new ATOM 0 HA ILE A 102 10.536 -1.032 -11.668 1.00 0.00 H new ATOM 0 HB ILE A 102 11.025 0.112 -9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.380 -1.960 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.063 -2.333 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.595 0.549 -8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.802 0.461 -10.653 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.124 -0.925 -9.766 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.825 -1.143 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.752 -0.156 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.043 0.222 -6.978 1.00 0.00 H new ATOM 1516 N ASP A 103 12.087 -3.467 -10.474 1.00 0.00 N ATOM 1517 CA ASP A 103 13.437 -4.085 -10.415 1.00 0.00 C ATOM 1518 C ASP A 103 13.703 -4.924 -11.653 1.00 0.00 C ATOM 1519 O ASP A 103 12.832 -5.548 -12.221 1.00 0.00 O ATOM 1520 CB ASP A 103 13.533 -4.954 -9.143 1.00 0.00 C ATOM 1521 CG ASP A 103 14.042 -4.125 -7.973 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.115 -2.902 -8.067 1.00 0.00 O ATOM 1523 OD2 ASP A 103 14.343 -4.826 -7.023 1.00 0.00 O ATOM 0 H ASP A 103 11.304 -4.110 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 103 14.191 -3.299 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.554 -5.370 -8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.203 -5.796 -9.319 1.00 0.00 H new ATOM 1528 N THR A 104 14.937 -4.950 -12.050 1.00 0.00 N ATOM 1529 CA THR A 104 15.295 -5.747 -13.263 1.00 0.00 C ATOM 1530 C THR A 104 15.538 -7.213 -12.884 1.00 0.00 C ATOM 1531 O THR A 104 16.235 -7.943 -13.557 1.00 0.00 O ATOM 1532 CB THR A 104 16.541 -5.081 -13.862 1.00 0.00 C ATOM 1533 OG1 THR A 104 17.382 -4.803 -12.749 1.00 0.00 O ATOM 1534 CG2 THR A 104 16.215 -3.682 -14.336 1.00 0.00 C ATOM 0 H THR A 104 15.711 -4.463 -11.599 1.00 0.00 H new ATOM 0 HA THR A 104 14.491 -5.759 -13.998 1.00 0.00 H new ATOM 0 HB THR A 104 16.943 -5.713 -14.654 1.00 0.00 H new ATOM 0 HG1 THR A 104 18.206 -4.374 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 104 17.109 -3.223 -14.758 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.437 -3.728 -15.098 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.864 -3.085 -13.494 1.00 0.00 H new ATOM 1542 N ASN A 105 14.927 -7.572 -11.787 1.00 0.00 N ATOM 1543 CA ASN A 105 15.003 -8.951 -11.213 1.00 0.00 C ATOM 1544 C ASN A 105 13.829 -9.236 -10.238 1.00 0.00 C ATOM 1545 O ASN A 105 13.084 -10.168 -10.460 1.00 0.00 O ATOM 1546 CB ASN A 105 16.387 -9.079 -10.510 1.00 0.00 C ATOM 1547 CG ASN A 105 16.530 -8.012 -9.431 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.266 -6.849 -9.629 1.00 0.00 O ATOM 1549 ND2 ASN A 105 16.937 -8.318 -8.251 1.00 0.00 N ATOM 0 H ASN A 105 14.350 -6.934 -11.239 1.00 0.00 H new ATOM 0 HA ASN A 105 14.910 -9.696 -12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.488 -10.070 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.187 -8.974 -11.243 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.023 -7.594 -7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.174 -9.285 -8.028 1.00 0.00 H new ATOM 1556 N GLY A 106 13.701 -8.446 -9.197 1.00 0.00 N ATOM 1557 CA GLY A 106 12.581 -8.660 -8.204 1.00 0.00 C ATOM 1558 C GLY A 106 12.977 -9.422 -6.934 1.00 0.00 C ATOM 1559 O GLY A 106 12.251 -9.380 -5.960 1.00 0.00 O ATOM 0 H GLY A 106 14.319 -7.662 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.180 -7.688 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.776 -9.203 -8.699 1.00 0.00 H new ATOM 1563 N ILE A 107 14.100 -10.115 -6.973 1.00 0.00 N ATOM 1564 CA ILE A 107 14.645 -10.925 -5.805 1.00 0.00 C ATOM 1565 C ILE A 107 14.090 -10.482 -4.434 1.00 0.00 C ATOM 1566 O ILE A 107 13.726 -11.314 -3.625 1.00 0.00 O ATOM 1567 CB ILE A 107 16.211 -10.827 -5.848 1.00 0.00 C ATOM 1568 CG1 ILE A 107 16.782 -11.440 -7.181 1.00 0.00 C ATOM 1569 CG2 ILE A 107 16.845 -11.593 -4.642 1.00 0.00 C ATOM 1570 CD1 ILE A 107 16.519 -12.965 -7.309 1.00 0.00 C ATOM 0 H ILE A 107 14.692 -10.157 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 107 14.316 -11.959 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 107 16.469 -9.769 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 107 16.333 -10.927 -8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 107 17.855 -11.257 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 107 17.931 -11.513 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 107 16.490 -11.158 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 107 16.556 -12.643 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 107 16.936 -13.329 -8.248 1.00 0.00 H new ATOM 0 HD12 ILE A 107 16.991 -13.487 -6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 107 15.445 -13.152 -7.293 1.00 0.00 H new ATOM 1582 N GLY A 108 14.038 -9.182 -4.196 1.00 0.00 N ATOM 1583 CA GLY A 108 13.504 -8.614 -2.898 1.00 0.00 C ATOM 1584 C GLY A 108 12.325 -9.417 -2.301 1.00 0.00 C ATOM 1585 O GLY A 108 12.166 -9.510 -1.101 1.00 0.00 O ATOM 0 H GLY A 108 14.350 -8.475 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.313 -8.578 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.182 -7.587 -3.068 1.00 0.00 H new ATOM 1589 N TYR A 109 11.496 -9.959 -3.154 1.00 0.00 N ATOM 1590 CA TYR A 109 10.302 -10.783 -2.732 1.00 0.00 C ATOM 1591 C TYR A 109 10.414 -11.541 -1.383 1.00 0.00 C ATOM 1592 O TYR A 109 9.495 -11.535 -0.592 1.00 0.00 O ATOM 1593 CB TYR A 109 10.006 -11.813 -3.854 1.00 0.00 C ATOM 1594 CG TYR A 109 8.806 -12.739 -3.503 1.00 0.00 C ATOM 1595 CD1 TYR A 109 7.503 -12.320 -3.698 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.004 -14.013 -2.987 1.00 0.00 C ATOM 1597 CE1 TYR A 109 6.429 -13.150 -3.389 1.00 0.00 C ATOM 1598 CE2 TYR A 109 7.927 -14.835 -2.681 1.00 0.00 C ATOM 1599 CZ TYR A 109 6.634 -14.417 -2.878 1.00 0.00 C ATOM 1600 OH TYR A 109 5.594 -15.276 -2.568 1.00 0.00 O ATOM 0 H TYR A 109 11.594 -9.866 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 109 9.502 -10.060 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.794 -11.284 -4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.893 -12.422 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.316 -11.334 -4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.010 -14.370 -2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.421 -12.798 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.110 -15.821 -2.281 1.00 0.00 H new ATOM 0 HH TYR A 109 5.957 -16.118 -2.223 1.00 0.00 H new ATOM 1610 N GLN A 110 11.535 -12.165 -1.130 1.00 0.00 N ATOM 1611 CA GLN A 110 11.704 -12.945 0.153 1.00 0.00 C ATOM 1612 C GLN A 110 12.489 -12.234 1.298 1.00 0.00 C ATOM 1613 O GLN A 110 13.620 -12.597 1.552 1.00 0.00 O ATOM 1614 CB GLN A 110 12.381 -14.278 -0.291 1.00 0.00 C ATOM 1615 CG GLN A 110 12.071 -15.423 0.699 1.00 0.00 C ATOM 1616 CD GLN A 110 10.637 -15.906 0.502 1.00 0.00 C ATOM 1617 OE1 GLN A 110 10.307 -16.623 -0.414 1.00 0.00 O ATOM 1618 NE2 GLN A 110 9.726 -15.538 1.339 1.00 0.00 N ATOM 0 H GLN A 110 12.345 -12.174 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 110 10.731 -13.083 0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.032 -14.551 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 110 13.459 -14.135 -0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 110 12.766 -16.248 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 110 12.210 -15.077 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.969 -14.933 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 110 8.763 -15.852 1.216 1.00 0.00 H new ATOM 1627 N GLN A 111 11.877 -11.262 1.942 1.00 0.00 N ATOM 1628 CA GLN A 111 12.507 -10.469 3.078 1.00 0.00 C ATOM 1629 C GLN A 111 13.515 -9.492 2.435 1.00 0.00 C ATOM 1630 O GLN A 111 14.711 -9.571 2.626 1.00 0.00 O ATOM 1631 CB GLN A 111 13.249 -11.419 4.119 1.00 0.00 C ATOM 1632 CG GLN A 111 12.226 -12.091 5.068 1.00 0.00 C ATOM 1633 CD GLN A 111 12.951 -12.903 6.148 1.00 0.00 C ATOM 1634 OE1 GLN A 111 13.748 -12.412 6.912 1.00 0.00 O ATOM 1635 NE2 GLN A 111 12.715 -14.169 6.266 1.00 0.00 N ATOM 0 H GLN A 111 10.925 -10.968 1.723 1.00 0.00 H new ATOM 0 HA GLN A 111 11.735 -9.938 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.814 -12.183 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.967 -10.840 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.600 -11.331 5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.564 -12.743 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.049 -14.624 5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 111 13.195 -14.712 6.984 1.00 0.00 H new ATOM 1644 N GLY A 112 12.987 -8.575 1.668 1.00 0.00 N ATOM 1645 CA GLY A 112 13.864 -7.573 0.971 1.00 0.00 C ATOM 1646 C GLY A 112 13.422 -6.141 0.839 1.00 0.00 C ATOM 1647 O GLY A 112 13.623 -5.591 -0.219 1.00 0.00 O ATOM 0 H GLY A 112 11.988 -8.472 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 112 14.823 -7.568 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.047 -7.949 -0.036 1.00 0.00 H new ATOM 1651 N HIS A 113 12.835 -5.568 1.855 1.00 0.00 N ATOM 1652 CA HIS A 113 12.405 -4.109 1.744 1.00 0.00 C ATOM 1653 C HIS A 113 13.414 -3.297 0.878 1.00 0.00 C ATOM 1654 O HIS A 113 14.574 -3.138 1.223 1.00 0.00 O ATOM 1655 CB HIS A 113 12.282 -3.522 3.196 1.00 0.00 C ATOM 1656 CG HIS A 113 12.635 -4.517 4.311 1.00 0.00 C ATOM 1657 ND1 HIS A 113 11.917 -5.548 4.628 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.703 -4.570 5.171 1.00 0.00 C ATOM 1659 CE1 HIS A 113 12.485 -6.190 5.616 1.00 0.00 C ATOM 1660 NE2 HIS A 113 13.601 -5.610 5.976 1.00 0.00 N ATOM 0 H HIS A 113 12.630 -6.020 2.746 1.00 0.00 H new ATOM 0 HA HIS A 113 11.439 -4.039 1.243 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.934 -2.653 3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.261 -3.171 3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.515 -3.858 5.187 1.00 0.00 H new ATOM 0 HE1 HIS A 113 12.085 -7.082 6.075 1.00 0.00 H new ATOM 0 HE2 HIS A 113 14.246 -5.897 6.712 1.00 0.00 H new ATOM 1668 N LEU A 114 12.922 -2.799 -0.227 1.00 0.00 N ATOM 1669 CA LEU A 114 13.811 -2.015 -1.147 1.00 0.00 C ATOM 1670 C LEU A 114 13.592 -0.514 -1.012 1.00 0.00 C ATOM 1671 O LEU A 114 12.612 -0.055 -0.447 1.00 0.00 O ATOM 1672 CB LEU A 114 13.502 -2.524 -2.570 1.00 0.00 C ATOM 1673 CG LEU A 114 14.551 -2.107 -3.621 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.872 -2.850 -3.379 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.043 -2.585 -4.968 1.00 0.00 C ATOM 0 H LEU A 114 11.954 -2.898 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 114 14.862 -2.164 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.434 -3.612 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.525 -2.149 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 114 14.707 -1.029 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.603 -2.546 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.249 -2.608 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.704 -3.924 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.757 -2.310 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.926 -3.669 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.080 -2.120 -5.180 1.00 0.00 H new ATOM 1687 N ASN A 115 14.529 0.209 -1.549 1.00 0.00 N ATOM 1688 CA ASN A 115 14.441 1.689 -1.483 1.00 0.00 C ATOM 1689 C ASN A 115 13.951 2.254 -2.830 1.00 0.00 C ATOM 1690 O ASN A 115 14.494 2.003 -3.893 1.00 0.00 O ATOM 1691 CB ASN A 115 15.839 2.209 -1.128 1.00 0.00 C ATOM 1692 CG ASN A 115 15.885 3.728 -1.199 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.585 4.322 -2.214 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.252 4.417 -0.169 1.00 0.00 N ATOM 0 H ASN A 115 15.350 -0.159 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 115 13.723 2.009 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.111 1.879 -0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.574 1.786 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.284 5.435 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.509 3.943 0.697 1.00 0.00 H new ATOM 1701 N VAL A 116 12.893 3.000 -2.686 1.00 0.00 N ATOM 1702 CA VAL A 116 12.230 3.671 -3.845 1.00 0.00 C ATOM 1703 C VAL A 116 11.760 5.104 -3.458 1.00 0.00 C ATOM 1704 O VAL A 116 11.727 5.464 -2.292 1.00 0.00 O ATOM 1705 CB VAL A 116 11.000 2.813 -4.296 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.360 1.304 -4.414 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.845 2.946 -3.271 1.00 0.00 C ATOM 0 H VAL A 116 12.445 3.179 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 116 12.945 3.756 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 116 10.696 3.189 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.480 0.744 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.154 1.176 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.698 0.934 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.997 2.344 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.183 2.597 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.542 3.990 -3.198 1.00 0.00 H new ATOM 1717 N ASN A 117 11.403 5.874 -4.451 1.00 0.00 N ATOM 1718 CA ASN A 117 10.916 7.278 -4.230 1.00 0.00 C ATOM 1719 C ASN A 117 9.482 7.374 -4.777 1.00 0.00 C ATOM 1720 O ASN A 117 9.148 6.631 -5.690 1.00 0.00 O ATOM 1721 CB ASN A 117 11.750 8.275 -5.014 1.00 0.00 C ATOM 1722 CG ASN A 117 13.207 8.053 -4.778 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.735 8.326 -3.730 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.895 7.557 -5.742 1.00 0.00 N ATOM 0 H ASN A 117 11.427 5.587 -5.430 1.00 0.00 H new ATOM 0 HA ASN A 117 10.978 7.503 -3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.531 8.181 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.481 9.290 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.894 7.392 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.442 7.328 -6.627 1.00 0.00 H new ATOM 1731 N TYR A 118 8.696 8.273 -4.232 1.00 0.00 N ATOM 1732 CA TYR A 118 7.298 8.394 -4.745 1.00 0.00 C ATOM 1733 C TYR A 118 6.707 9.817 -4.643 1.00 0.00 C ATOM 1734 O TYR A 118 6.924 10.563 -3.702 1.00 0.00 O ATOM 1735 CB TYR A 118 6.424 7.366 -3.981 1.00 0.00 C ATOM 1736 CG TYR A 118 6.030 7.782 -2.553 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.098 8.784 -2.321 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.603 7.137 -1.478 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.750 9.129 -1.026 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.248 7.488 -0.189 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.325 8.481 0.039 1.00 0.00 C ATOM 1742 OH TYR A 118 4.983 8.830 1.325 1.00 0.00 O ATOM 0 H TYR A 118 8.953 8.909 -3.477 1.00 0.00 H new ATOM 0 HA TYR A 118 7.311 8.184 -5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.515 7.187 -4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.962 6.419 -3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.642 9.297 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.331 6.356 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.024 9.910 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.701 6.977 0.648 1.00 0.00 H new ATOM 0 HH TYR A 118 4.205 8.306 1.610 1.00 0.00 H new ATOM 1752 N GLN A 119 5.964 10.162 -5.655 1.00 0.00 N ATOM 1753 CA GLN A 119 5.297 11.505 -5.721 1.00 0.00 C ATOM 1754 C GLN A 119 3.813 11.325 -6.182 1.00 0.00 C ATOM 1755 O GLN A 119 3.546 10.428 -6.966 1.00 0.00 O ATOM 1756 CB GLN A 119 6.131 12.406 -6.733 1.00 0.00 C ATOM 1757 CG GLN A 119 7.443 11.702 -7.306 1.00 0.00 C ATOM 1758 CD GLN A 119 8.587 11.425 -6.291 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.491 10.678 -6.598 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.620 11.965 -5.114 1.00 0.00 N ATOM 0 H GLN A 119 5.783 9.562 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 119 5.275 11.992 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.488 12.686 -7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.418 13.329 -6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.151 10.753 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.842 12.326 -8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.876 12.599 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.390 11.757 -4.479 1.00 0.00 H new ATOM 1769 N PHE A 120 2.884 12.141 -5.715 1.00 0.00 N ATOM 1770 CA PHE A 120 1.456 11.932 -6.189 1.00 0.00 C ATOM 1771 C PHE A 120 1.449 12.273 -7.705 1.00 0.00 C ATOM 1772 O PHE A 120 2.196 13.120 -8.153 1.00 0.00 O ATOM 1773 CB PHE A 120 0.471 12.865 -5.410 1.00 0.00 C ATOM 1774 CG PHE A 120 0.326 12.459 -3.917 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.402 12.526 -3.054 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.895 12.030 -3.410 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.272 12.181 -1.723 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.027 11.682 -2.071 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.062 11.760 -1.224 1.00 0.00 C ATOM 0 H PHE A 120 3.034 12.907 -5.059 1.00 0.00 H new ATOM 0 HA PHE A 120 1.127 10.908 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.825 13.894 -5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.508 12.836 -5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.361 12.854 -3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.752 11.966 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.129 12.242 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.982 11.350 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.036 11.493 -0.182 1.00 0.00 H new ATOM 1789 N VAL A 121 0.612 11.592 -8.429 1.00 0.00 N ATOM 1790 CA VAL A 121 0.488 11.772 -9.915 1.00 0.00 C ATOM 1791 C VAL A 121 -0.858 11.327 -10.548 1.00 0.00 C ATOM 1792 O VAL A 121 -1.664 10.704 -9.883 1.00 0.00 O ATOM 1793 CB VAL A 121 1.750 10.988 -10.454 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.354 9.834 -11.386 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.610 11.948 -11.314 1.00 0.00 C ATOM 0 H VAL A 121 -0.019 10.889 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 121 0.472 12.825 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 121 2.281 10.602 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.252 9.322 -11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.721 9.130 -10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.807 10.229 -12.242 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.483 11.416 -11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.018 12.313 -12.153 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.934 12.791 -10.704 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.051 11.708 -11.792 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.276 11.333 -12.544 1.00 0.00 C ATOM 1807 C ASP A 122 -1.978 9.965 -13.271 1.00 0.00 C ATOM 1808 O ASP A 122 -0.838 9.724 -13.622 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.568 12.474 -13.553 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.936 12.306 -14.218 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.348 11.168 -14.399 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.464 13.370 -14.501 1.00 0.00 O ATOM 0 H ASP A 122 -0.390 12.276 -12.322 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.149 11.205 -11.904 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.529 13.434 -13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.791 12.491 -14.318 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.935 9.110 -13.514 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.609 7.815 -14.216 1.00 0.00 C ATOM 1819 C CYS A 123 -2.712 7.964 -15.731 1.00 0.00 C ATOM 1820 O CYS A 123 -2.049 7.249 -16.458 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.584 6.696 -13.790 1.00 0.00 C ATOM 1822 SG CYS A 123 -3.303 5.800 -12.249 1.00 0.00 S ATOM 0 H CYS A 123 -3.916 9.240 -13.265 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.588 7.557 -13.935 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.579 7.136 -13.733 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.606 5.961 -14.594 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.525 8.915 -16.101 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.810 9.258 -17.526 1.00 0.00 C ATOM 1829 C ARG A 124 -4.297 8.101 -18.474 1.00 0.00 C ATOM 1830 O ARG A 124 -3.555 7.759 -19.375 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.516 9.903 -18.087 1.00 0.00 C ATOM 1832 CG ARG A 124 -2.136 11.226 -17.369 1.00 0.00 C ATOM 1833 CD ARG A 124 -0.893 11.721 -18.108 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.602 13.127 -17.669 1.00 0.00 N ATOM 1835 CZ ARG A 124 0.598 13.536 -17.476 1.00 0.00 C ATOM 1836 NH1 ARG A 124 1.432 13.291 -18.403 1.00 0.00 N ATOM 1837 NH2 ARG A 124 0.910 14.159 -16.408 1.00 0.00 N ATOM 0 H ARG A 124 -4.031 9.500 -15.436 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.675 9.922 -17.514 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -1.693 9.195 -17.991 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.646 10.098 -19.151 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -2.946 11.954 -17.423 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -1.929 11.058 -16.312 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.043 11.074 -17.893 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.055 11.687 -19.185 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.378 13.773 -17.521 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.131 12.794 -19.242 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.402 13.591 -18.308 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.202 14.337 -15.696 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.868 14.479 -16.266 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.480 7.565 -18.258 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.050 6.450 -19.110 1.00 0.00 C ATOM 1853 C ASP A 125 -6.865 7.035 -20.322 1.00 0.00 C ATOM 1854 O ASP A 125 -7.003 8.252 -20.410 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.953 5.576 -18.143 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.350 4.185 -18.635 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.496 3.558 -19.208 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.472 3.782 -18.382 1.00 0.00 O ATOM 1859 OXT ASP A 125 -7.309 6.213 -21.112 1.00 0.00 O ATOM 0 H ASP A 125 -6.098 7.861 -17.502 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.266 5.836 -19.553 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.425 5.463 -17.196 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.865 6.135 -17.934 1.00 0.00 H new