USER MOD reduce.3.24.130724 H: found=0, std=0, add=1426, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1422 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 NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: B 29 LYS NZ :NH3+ 149:sc= -0.796 (180deg=-1.47) USER MOD Set 1.2: B 50 GLN : amide:sc= -1.09! K(o=-1.9!,f=-0.8) USER MOD Set 2.1: B 41 SER OG : rot -51:sc= 0.171 USER MOD Set 2.2: B 42 HIS : no HD1:sc= -0.0368 K(o=0.13,f=-7.6!) USER MOD Set 3.1: B 17 TYR OH : rot 90:sc= -4.28! USER MOD Set 3.2: B 38 ASN : amide:sc= -7.24! C(o=-12!,f=-11!) USER MOD Set 4.1: B 15 HIS : no HE2:sc= -1.27 K(o=-9.4,f=-13) USER MOD Set 4.2: B 25 HIS : no HD1:sc= -8.11! C(o=-9.4!,f=-16!) USER MOD Set 5.1: B 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 5 LYS NZ :NH3+ -175:sc= -0.228 (180deg=-0.298) USER MOD Set 6.1: A 29 LYS NZ :NH3+ 145:sc= -0.632 (180deg=-1.27) USER MOD Set 6.2: A 50 GLN : amide:sc= -1.03! K(o=-1.7!,f=-0.72) USER MOD Set 7.1: A 41 SER OG : rot -52:sc= 0.28 USER MOD Set 7.2: A 42 HIS : no HD1:sc= -0.0225 K(o=0.26,f=-7.5!) USER MOD Set 8.1: A 17 TYR OH : rot 90:sc= -4.3! USER MOD Set 8.2: A 38 ASN : amide:sc= -7! C(o=-11!,f=-11!) USER MOD Set 9.1: A 15 HIS : no HE2:sc= -1.28 K(o=-8.7,f=-12!) USER MOD Set 9.2: A 25 HIS : no HD1:sc= -7.47! C(o=-8.7!,f=-15!) USER MOD Set10.1: A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.2: A 5 LYS NZ :NH3+ -172:sc= -0.265 (180deg=-0.348) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 170:sc= -0.48 USER MOD Single : A 7 MET CE :methyl -161:sc= -2.98! (180deg=-4.37!) USER MOD Single : A 16 GLN : amide:sc= -0.91 X(o=-0.91,f=-1.2) USER MOD Single : A 18 SER OG : rot 160:sc= -4.23! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.491) USER MOD Single : A 30 SER OG : rot 180:sc= 0.011 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.32! K(o=-2.3!,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 175:sc= -1.75 (180deg=-1.86) USER MOD Single : A 59 THR OG1 : rot -170:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.58! C(o=-5.6!,f=-13!) USER MOD Single : A 74 MET CE :methyl -133:sc= -1.87! (180deg=-4.41!) USER MOD Single : A 78 SER OG : rot 175:sc= 0.837 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 75:sc= -0.651! USER MOD Single : A 82 THR OG1 : rot -92:sc= -0.478 USER MOD Single : A 84 CYS SG : rot 65:sc= 1.28 USER MOD Single : A 90 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-2.8!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= -0.495 USER MOD Single : B 7 MET CE :methyl -161:sc= -2.95! (180deg=-4.47!) USER MOD Single : B 16 GLN : amide:sc= -0.899 X(o=-0.9,f=-1.2) USER MOD Single : B 18 SER OG : rot 170:sc= -4.23! USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.495) USER MOD Single : B 30 SER OG : rot 180:sc= 0.0155 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -3.07! K(o=-3.1!,f=-1.5) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 176:sc= -1.8 (180deg=-1.99) USER MOD Single : B 59 THR OG1 : rot -170:sc= 0 USER MOD Single : B 68 CYS SG : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -5.55! C(o=-5.5!,f=-13!) USER MOD Single : B 74 MET CE :methyl -135:sc= -1.79! (180deg=-4.63!) USER MOD Single : B 78 SER OG : rot 166:sc= 0.775 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot 73:sc= -0.704! USER MOD Single : B 82 THR OG1 : rot -89:sc= -0.401 USER MOD Single : B 84 CYS SG : rot 70:sc= 1.27 USER MOD Single : B 90 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.922 0.549 16.493 1.00 0.00 N ATOM 2 CA MET A 0 -10.481 1.853 16.040 1.00 0.00 C ATOM 3 C MET A 0 -10.083 2.095 14.580 1.00 0.00 C ATOM 4 O MET A 0 -10.372 1.294 13.713 1.00 0.00 O ATOM 5 CB MET A 0 -9.932 2.977 16.927 1.00 0.00 C ATOM 6 CG MET A 0 -10.785 4.234 16.752 1.00 0.00 C ATOM 7 SD MET A 0 -12.394 3.987 17.550 1.00 0.00 S ATOM 8 CE MET A 0 -11.949 4.618 19.189 1.00 0.00 C ATOM 0 H1 MET A 0 -10.190 0.382 17.484 1.00 0.00 H new ATOM 0 H2 MET A 0 -10.299 -0.216 15.898 1.00 0.00 H new ATOM 0 H3 MET A 0 -8.885 0.569 16.414 1.00 0.00 H new ATOM 0 HA MET A 0 -11.568 1.836 16.117 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.937 2.665 17.971 1.00 0.00 H new ATOM 0 HB3 MET A 0 -8.896 3.189 16.663 1.00 0.00 H new ATOM 0 HG2 MET A 0 -10.278 5.094 17.189 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.922 4.449 15.692 1.00 0.00 H new ATOM 0 HE1 MET A 0 -12.813 4.556 19.850 1.00 0.00 H new ATOM 0 HE2 MET A 0 -11.134 4.021 19.600 1.00 0.00 H new ATOM 0 HE3 MET A 0 -11.631 5.657 19.105 1.00 0.00 H new ATOM 20 N SER A 1 -9.421 3.185 14.297 1.00 0.00 N ATOM 21 CA SER A 1 -9.011 3.458 12.892 1.00 0.00 C ATOM 22 C SER A 1 -7.773 2.626 12.553 1.00 0.00 C ATOM 23 O SER A 1 -6.658 3.112 12.557 1.00 0.00 O ATOM 24 CB SER A 1 -8.692 4.941 12.730 1.00 0.00 C ATOM 25 OG SER A 1 -7.878 5.365 13.815 1.00 0.00 O ATOM 0 H SER A 1 -9.148 3.895 14.976 1.00 0.00 H new ATOM 0 HA SER A 1 -9.824 3.190 12.218 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.177 5.113 11.785 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.613 5.523 12.702 1.00 0.00 H new ATOM 0 HG SER A 1 -7.538 6.266 13.636 1.00 0.00 H new ATOM 31 N GLU A 2 -7.970 1.375 12.258 1.00 0.00 N ATOM 32 CA GLU A 2 -6.820 0.492 11.915 1.00 0.00 C ATOM 33 C GLU A 2 -6.034 1.108 10.757 1.00 0.00 C ATOM 34 O GLU A 2 -4.832 0.969 10.664 1.00 0.00 O ATOM 35 CB GLU A 2 -7.338 -0.888 11.502 1.00 0.00 C ATOM 36 CG GLU A 2 -7.752 -1.673 12.747 1.00 0.00 C ATOM 37 CD GLU A 2 -8.257 -3.057 12.336 1.00 0.00 C ATOM 38 OE1 GLU A 2 -9.362 -3.135 11.822 1.00 0.00 O ATOM 39 OE2 GLU A 2 -7.531 -4.017 12.541 1.00 0.00 O ATOM 0 H GLU A 2 -8.883 0.921 12.239 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.170 0.390 12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.187 -0.782 10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.565 -1.430 10.958 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.905 -1.771 13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.532 -1.135 13.286 1.00 0.00 H new ATOM 46 N LEU A 3 -6.705 1.781 9.868 1.00 0.00 N ATOM 47 CA LEU A 3 -5.996 2.393 8.707 1.00 0.00 C ATOM 48 C LEU A 3 -5.178 3.609 9.173 1.00 0.00 C ATOM 49 O LEU A 3 -4.227 4.002 8.530 1.00 0.00 O ATOM 50 CB LEU A 3 -7.043 2.801 7.638 1.00 0.00 C ATOM 51 CG LEU A 3 -7.110 1.723 6.529 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.453 1.770 5.779 1.00 0.00 C ATOM 53 CD2 LEU A 3 -5.961 1.936 5.530 1.00 0.00 C ATOM 0 H LEU A 3 -7.713 1.935 9.893 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.304 1.673 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.022 2.920 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.777 3.765 7.205 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.017 0.746 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.466 1.000 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.268 1.594 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.577 2.749 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.011 1.176 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.050 2.924 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.007 1.859 6.051 1.00 0.00 H new ATOM 65 N GLU A 4 -5.522 4.202 10.282 1.00 0.00 N ATOM 66 CA GLU A 4 -4.743 5.378 10.766 1.00 0.00 C ATOM 67 C GLU A 4 -3.430 4.887 11.379 1.00 0.00 C ATOM 68 O GLU A 4 -2.407 5.534 11.280 1.00 0.00 O ATOM 69 CB GLU A 4 -5.563 6.139 11.816 1.00 0.00 C ATOM 70 CG GLU A 4 -4.728 7.266 12.437 1.00 0.00 C ATOM 71 CD GLU A 4 -4.208 8.189 11.334 1.00 0.00 C ATOM 72 OE1 GLU A 4 -4.913 8.358 10.351 1.00 0.00 O ATOM 73 OE2 GLU A 4 -3.118 8.711 11.490 1.00 0.00 O ATOM 0 H GLU A 4 -6.306 3.925 10.873 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.526 6.049 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.459 6.554 11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.894 5.452 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.333 7.833 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.893 6.846 12.998 1.00 0.00 H new ATOM 80 N LYS A 5 -3.446 3.742 12.005 1.00 0.00 N ATOM 81 CA LYS A 5 -2.196 3.209 12.613 1.00 0.00 C ATOM 82 C LYS A 5 -1.234 2.819 11.490 1.00 0.00 C ATOM 83 O LYS A 5 -0.065 3.150 11.511 1.00 0.00 O ATOM 84 CB LYS A 5 -2.542 1.978 13.472 1.00 0.00 C ATOM 85 CG LYS A 5 -2.910 2.421 14.901 1.00 0.00 C ATOM 86 CD LYS A 5 -3.830 1.378 15.571 1.00 0.00 C ATOM 87 CE LYS A 5 -5.303 1.677 15.244 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.096 0.419 15.340 1.00 0.00 N ATOM 0 H LYS A 5 -4.271 3.153 12.121 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.725 3.962 13.246 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.374 1.434 13.025 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.694 1.294 13.501 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.004 2.549 15.493 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.410 3.389 14.870 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.569 0.378 15.225 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.680 1.391 16.651 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.697 2.422 15.936 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.387 2.097 14.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.060 0.589 14.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.644 -0.321 14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.138 0.110 16.332 1.00 0.00 H new ATOM 102 N ALA A 6 -1.728 2.128 10.504 1.00 0.00 N ATOM 103 CA ALA A 6 -0.862 1.720 9.367 1.00 0.00 C ATOM 104 C ALA A 6 -0.236 2.971 8.751 1.00 0.00 C ATOM 105 O ALA A 6 0.967 3.082 8.623 1.00 0.00 O ATOM 106 CB ALA A 6 -1.724 0.982 8.327 1.00 0.00 C ATOM 0 H ALA A 6 -2.700 1.827 10.437 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.068 1.055 9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.100 0.677 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.171 0.100 8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.512 1.645 7.971 1.00 0.00 H new ATOM 112 N MET A 7 -1.047 3.914 8.377 1.00 0.00 N ATOM 113 CA MET A 7 -0.511 5.162 7.772 1.00 0.00 C ATOM 114 C MET A 7 0.612 5.713 8.647 1.00 0.00 C ATOM 115 O MET A 7 1.618 6.184 8.156 1.00 0.00 O ATOM 116 CB MET A 7 -1.631 6.204 7.684 1.00 0.00 C ATOM 117 CG MET A 7 -2.750 5.702 6.758 1.00 0.00 C ATOM 118 SD MET A 7 -4.330 6.400 7.291 1.00 0.00 S ATOM 119 CE MET A 7 -5.283 5.904 5.839 1.00 0.00 C ATOM 0 H MET A 7 -2.063 3.876 8.464 1.00 0.00 H new ATOM 0 HA MET A 7 -0.127 4.944 6.775 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.033 6.402 8.678 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.233 7.146 7.308 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.541 5.991 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.795 4.613 6.781 1.00 0.00 H new ATOM 0 HE1 MET A 7 -6.192 6.503 5.778 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.685 6.060 4.941 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.548 4.850 5.920 1.00 0.00 H new ATOM 129 N VAL A 8 0.451 5.667 9.939 1.00 0.00 N ATOM 130 CA VAL A 8 1.518 6.203 10.833 1.00 0.00 C ATOM 131 C VAL A 8 2.734 5.277 10.785 1.00 0.00 C ATOM 132 O VAL A 8 3.853 5.715 10.599 1.00 0.00 O ATOM 133 CB VAL A 8 0.978 6.297 12.268 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.129 6.517 13.256 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.001 7.471 12.367 1.00 0.00 C ATOM 0 H VAL A 8 -0.367 5.285 10.414 1.00 0.00 H new ATOM 0 HA VAL A 8 1.817 7.197 10.499 1.00 0.00 H new ATOM 0 HB VAL A 8 0.469 5.365 12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.732 6.582 14.269 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.827 5.682 13.193 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.648 7.444 13.010 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.383 7.540 13.385 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.517 8.396 12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.827 7.314 11.676 1.00 0.00 H new ATOM 145 N ALA A 9 2.528 4.006 10.951 1.00 0.00 N ATOM 146 CA ALA A 9 3.676 3.063 10.913 1.00 0.00 C ATOM 147 C ALA A 9 4.360 3.157 9.544 1.00 0.00 C ATOM 148 O ALA A 9 5.549 2.942 9.416 1.00 0.00 O ATOM 149 CB ALA A 9 3.173 1.635 11.152 1.00 0.00 C ATOM 0 H ALA A 9 1.616 3.578 11.111 1.00 0.00 H new ATOM 0 HA ALA A 9 4.393 3.321 11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.015 0.943 11.124 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.689 1.578 12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.457 1.367 10.375 1.00 0.00 H new ATOM 155 N LEU A 10 3.614 3.469 8.520 1.00 0.00 N ATOM 156 CA LEU A 10 4.213 3.567 7.160 1.00 0.00 C ATOM 157 C LEU A 10 4.930 4.915 6.987 1.00 0.00 C ATOM 158 O LEU A 10 6.087 4.966 6.626 1.00 0.00 O ATOM 159 CB LEU A 10 3.083 3.427 6.123 1.00 0.00 C ATOM 160 CG LEU A 10 2.755 1.919 5.873 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.232 1.683 5.871 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.341 1.476 4.520 1.00 0.00 C ATOM 0 H LEU A 10 2.613 3.661 8.567 1.00 0.00 H new ATOM 0 HA LEU A 10 4.949 2.775 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.191 3.946 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.379 3.901 5.187 1.00 0.00 H new ATOM 0 HG LEU A 10 3.200 1.334 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.028 0.627 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.817 1.977 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.773 2.278 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.110 0.424 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.906 2.077 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.422 1.613 4.530 1.00 0.00 H new ATOM 174 N ILE A 11 4.250 6.002 7.236 1.00 0.00 N ATOM 175 CA ILE A 11 4.880 7.348 7.073 1.00 0.00 C ATOM 176 C ILE A 11 6.265 7.346 7.719 1.00 0.00 C ATOM 177 O ILE A 11 7.175 8.010 7.261 1.00 0.00 O ATOM 178 CB ILE A 11 3.990 8.408 7.741 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.739 8.631 6.880 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.755 9.733 7.874 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.655 9.318 7.714 1.00 0.00 C ATOM 0 H ILE A 11 3.279 6.017 7.547 1.00 0.00 H new ATOM 0 HA ILE A 11 4.983 7.580 6.013 1.00 0.00 H new ATOM 0 HB ILE A 11 3.704 8.060 8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.987 9.243 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.371 7.677 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.115 10.477 8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.646 9.579 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.048 10.085 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.768 9.475 7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.399 8.689 8.567 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.025 10.280 8.070 1.00 0.00 H new ATOM 193 N ASP A 12 6.435 6.609 8.777 1.00 0.00 N ATOM 194 CA ASP A 12 7.765 6.571 9.441 1.00 0.00 C ATOM 195 C ASP A 12 8.749 5.798 8.565 1.00 0.00 C ATOM 196 O ASP A 12 9.833 6.264 8.276 1.00 0.00 O ATOM 197 CB ASP A 12 7.640 5.894 10.806 1.00 0.00 C ATOM 198 CG ASP A 12 6.837 6.793 11.749 1.00 0.00 C ATOM 199 OD1 ASP A 12 5.861 7.370 11.296 1.00 0.00 O ATOM 200 OD2 ASP A 12 7.210 6.891 12.906 1.00 0.00 O ATOM 0 H ASP A 12 5.714 6.033 9.210 1.00 0.00 H new ATOM 0 HA ASP A 12 8.131 7.588 9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.148 4.927 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.630 5.704 11.222 1.00 0.00 H new ATOM 205 N VAL A 13 8.382 4.625 8.133 1.00 0.00 N ATOM 206 CA VAL A 13 9.299 3.832 7.269 1.00 0.00 C ATOM 207 C VAL A 13 9.289 4.420 5.854 1.00 0.00 C ATOM 208 O VAL A 13 10.237 4.274 5.110 1.00 0.00 O ATOM 209 CB VAL A 13 8.858 2.357 7.230 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.970 1.491 6.625 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.567 1.867 8.650 1.00 0.00 C ATOM 0 H VAL A 13 7.487 4.181 8.340 1.00 0.00 H new ATOM 0 HA VAL A 13 10.308 3.878 7.678 1.00 0.00 H new ATOM 0 HB VAL A 13 7.959 2.277 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.648 0.450 6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.182 1.828 5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.871 1.579 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.255 0.823 8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.467 1.958 9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.771 2.470 9.087 1.00 0.00 H new ATOM 221 N PHE A 14 8.218 5.069 5.465 1.00 0.00 N ATOM 222 CA PHE A 14 8.172 5.636 4.081 1.00 0.00 C ATOM 223 C PHE A 14 9.160 6.812 3.946 1.00 0.00 C ATOM 224 O PHE A 14 9.972 6.841 3.044 1.00 0.00 O ATOM 225 CB PHE A 14 6.732 6.105 3.751 1.00 0.00 C ATOM 226 CG PHE A 14 6.036 5.105 2.846 1.00 0.00 C ATOM 227 CD1 PHE A 14 6.135 3.734 3.112 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.297 5.552 1.743 1.00 0.00 C ATOM 229 CE1 PHE A 14 5.495 2.810 2.276 1.00 0.00 C ATOM 230 CE2 PHE A 14 4.659 4.629 0.907 1.00 0.00 C ATOM 231 CZ PHE A 14 4.757 3.257 1.173 1.00 0.00 C ATOM 0 H PHE A 14 7.387 5.229 6.035 1.00 0.00 H new ATOM 0 HA PHE A 14 8.463 4.859 3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.163 6.226 4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.764 7.081 3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.705 3.389 3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.220 6.610 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.571 1.753 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.091 4.974 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.264 2.545 0.528 1.00 0.00 H new ATOM 241 N HIS A 15 9.082 7.790 4.805 1.00 0.00 N ATOM 242 CA HIS A 15 10.005 8.960 4.676 1.00 0.00 C ATOM 243 C HIS A 15 11.425 8.585 5.124 1.00 0.00 C ATOM 244 O HIS A 15 12.388 9.181 4.693 1.00 0.00 O ATOM 245 CB HIS A 15 9.477 10.123 5.531 1.00 0.00 C ATOM 246 CG HIS A 15 10.036 11.438 5.037 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.482 12.419 5.910 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.206 11.960 3.774 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.890 13.467 5.171 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.744 13.239 3.863 1.00 0.00 N ATOM 0 H HIS A 15 8.426 7.833 5.585 1.00 0.00 H new ATOM 0 HA HIS A 15 10.045 9.262 3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.388 10.146 5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.755 9.971 6.574 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.498 12.357 6.928 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.959 11.452 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.287 14.382 5.585 1.00 0.00 H new ATOM 258 N GLN A 16 11.575 7.617 5.984 1.00 0.00 N ATOM 259 CA GLN A 16 12.950 7.242 6.437 1.00 0.00 C ATOM 260 C GLN A 16 13.733 6.615 5.278 1.00 0.00 C ATOM 261 O GLN A 16 14.905 6.883 5.082 1.00 0.00 O ATOM 262 CB GLN A 16 12.852 6.240 7.595 1.00 0.00 C ATOM 263 CG GLN A 16 12.507 6.986 8.884 1.00 0.00 C ATOM 264 CD GLN A 16 12.082 5.986 9.960 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.123 6.213 10.671 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.760 4.882 10.114 1.00 0.00 N ATOM 0 H GLN A 16 10.815 7.072 6.391 1.00 0.00 H new ATOM 0 HA GLN A 16 13.472 8.138 6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.089 5.492 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.796 5.708 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.369 7.559 9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.704 7.699 8.699 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.565 4.691 9.518 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.485 4.210 10.831 1.00 0.00 H new ATOM 275 N TYR A 17 13.093 5.797 4.491 1.00 0.00 N ATOM 276 CA TYR A 17 13.803 5.162 3.340 1.00 0.00 C ATOM 277 C TYR A 17 13.647 6.049 2.107 1.00 0.00 C ATOM 278 O TYR A 17 14.619 6.452 1.500 1.00 0.00 O ATOM 279 CB TYR A 17 13.217 3.758 3.088 1.00 0.00 C ATOM 280 CG TYR A 17 13.972 2.741 3.918 1.00 0.00 C ATOM 281 CD1 TYR A 17 15.148 2.173 3.418 1.00 0.00 C ATOM 282 CD2 TYR A 17 13.508 2.386 5.190 1.00 0.00 C ATOM 283 CE1 TYR A 17 15.861 1.246 4.187 1.00 0.00 C ATOM 284 CE2 TYR A 17 14.219 1.457 5.959 1.00 0.00 C ATOM 285 CZ TYR A 17 15.396 0.888 5.456 1.00 0.00 C ATOM 286 OH TYR A 17 16.101 -0.023 6.212 1.00 0.00 O ATOM 0 H TYR A 17 12.111 5.539 4.592 1.00 0.00 H new ATOM 0 HA TYR A 17 14.865 5.056 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.158 3.742 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.290 3.506 2.030 1.00 0.00 H new ATOM 0 HD1 TYR A 17 15.506 2.450 2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.602 2.828 5.578 1.00 0.00 H new ATOM 0 HE1 TYR A 17 16.769 0.808 3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.860 1.179 6.939 1.00 0.00 H new ATOM 0 HH TYR A 17 16.758 0.449 6.765 1.00 0.00 H new ATOM 296 N SER A 18 12.445 6.380 1.738 1.00 0.00 N ATOM 297 CA SER A 18 12.271 7.262 0.558 1.00 0.00 C ATOM 298 C SER A 18 13.058 8.551 0.812 1.00 0.00 C ATOM 299 O SER A 18 13.427 9.261 -0.101 1.00 0.00 O ATOM 300 CB SER A 18 10.781 7.568 0.355 1.00 0.00 C ATOM 301 OG SER A 18 10.530 7.756 -1.029 1.00 0.00 O ATOM 0 H SER A 18 11.584 6.082 2.197 1.00 0.00 H new ATOM 0 HA SER A 18 12.641 6.776 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.173 6.749 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.501 8.462 0.913 1.00 0.00 H new ATOM 0 HG SER A 18 9.574 7.633 -1.208 1.00 0.00 H new ATOM 307 N GLY A 19 13.318 8.847 2.062 1.00 0.00 N ATOM 308 CA GLY A 19 14.085 10.081 2.407 1.00 0.00 C ATOM 309 C GLY A 19 15.562 9.733 2.614 1.00 0.00 C ATOM 310 O GLY A 19 16.380 10.602 2.842 1.00 0.00 O ATOM 0 H GLY A 19 13.030 8.283 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.984 10.818 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.678 10.532 3.312 1.00 0.00 H new ATOM 314 N ARG A 20 15.925 8.479 2.510 1.00 0.00 N ATOM 315 CA ARG A 20 17.361 8.115 2.675 1.00 0.00 C ATOM 316 C ARG A 20 18.165 8.816 1.581 1.00 0.00 C ATOM 317 O ARG A 20 19.218 9.372 1.825 1.00 0.00 O ATOM 318 CB ARG A 20 17.523 6.593 2.532 1.00 0.00 C ATOM 319 CG ARG A 20 18.999 6.195 2.683 1.00 0.00 C ATOM 320 CD ARG A 20 19.171 4.718 2.330 1.00 0.00 C ATOM 321 NE ARG A 20 20.509 4.253 2.807 1.00 0.00 N ATOM 322 CZ ARG A 20 21.143 3.290 2.188 1.00 0.00 C ATOM 323 NH1 ARG A 20 20.614 2.713 1.143 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.313 2.902 2.619 1.00 0.00 N ATOM 0 H ARG A 20 15.294 7.700 2.320 1.00 0.00 H new ATOM 0 HA ARG A 20 17.716 8.422 3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.924 6.085 3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.151 6.271 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.620 6.810 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.332 6.376 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.381 4.127 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.086 4.577 1.253 1.00 0.00 H new ATOM 0 HE ARG A 20 20.933 4.691 3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.700 3.012 0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.115 1.963 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.730 3.349 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.810 2.152 2.139 1.00 0.00 H new ATOM 338 N GLU A 21 17.673 8.789 0.377 1.00 0.00 N ATOM 339 CA GLU A 21 18.404 9.448 -0.743 1.00 0.00 C ATOM 340 C GLU A 21 17.443 9.696 -1.911 1.00 0.00 C ATOM 341 O GLU A 21 16.333 9.204 -1.926 1.00 0.00 O ATOM 342 CB GLU A 21 19.548 8.539 -1.203 1.00 0.00 C ATOM 343 CG GLU A 21 19.059 7.091 -1.249 1.00 0.00 C ATOM 344 CD GLU A 21 20.141 6.206 -1.870 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.249 6.689 -2.036 1.00 0.00 O ATOM 346 OE2 GLU A 21 19.845 5.061 -2.168 1.00 0.00 O ATOM 0 H GLU A 21 16.795 8.339 0.117 1.00 0.00 H new ATOM 0 HA GLU A 21 18.808 10.402 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.899 8.847 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.394 8.627 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.823 6.744 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.141 7.025 -1.833 1.00 0.00 H new ATOM 353 N GLY A 22 17.870 10.452 -2.893 1.00 0.00 N ATOM 354 CA GLY A 22 16.995 10.736 -4.075 1.00 0.00 C ATOM 355 C GLY A 22 16.405 12.140 -3.958 1.00 0.00 C ATOM 356 O GLY A 22 16.816 12.934 -3.136 1.00 0.00 O ATOM 0 H GLY A 22 18.792 10.887 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.573 10.650 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.194 9.999 -4.131 1.00 0.00 H new ATOM 360 N ASP A 23 15.438 12.446 -4.779 1.00 0.00 N ATOM 361 CA ASP A 23 14.808 13.794 -4.726 1.00 0.00 C ATOM 362 C ASP A 23 14.433 14.119 -3.280 1.00 0.00 C ATOM 363 O ASP A 23 14.873 15.103 -2.720 1.00 0.00 O ATOM 364 CB ASP A 23 13.545 13.792 -5.592 1.00 0.00 C ATOM 365 CG ASP A 23 12.839 15.143 -5.473 1.00 0.00 C ATOM 366 OD1 ASP A 23 13.437 16.136 -5.855 1.00 0.00 O ATOM 367 OD2 ASP A 23 11.715 15.162 -5.003 1.00 0.00 O ATOM 0 H ASP A 23 15.056 11.818 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 23 15.506 14.543 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.806 13.597 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.876 12.992 -5.275 1.00 0.00 H new ATOM 372 N LYS A 24 13.621 13.298 -2.675 1.00 0.00 N ATOM 373 CA LYS A 24 13.211 13.551 -1.265 1.00 0.00 C ATOM 374 C LYS A 24 12.267 12.424 -0.820 1.00 0.00 C ATOM 375 O LYS A 24 12.364 11.925 0.283 1.00 0.00 O ATOM 376 CB LYS A 24 12.496 14.929 -1.180 1.00 0.00 C ATOM 377 CG LYS A 24 13.280 15.901 -0.279 1.00 0.00 C ATOM 378 CD LYS A 24 13.040 15.543 1.193 1.00 0.00 C ATOM 379 CE LYS A 24 14.049 16.278 2.082 1.00 0.00 C ATOM 380 NZ LYS A 24 13.697 17.727 2.145 1.00 0.00 N ATOM 0 H LYS A 24 13.222 12.460 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 24 14.082 13.570 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.396 15.353 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.488 14.796 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.344 15.847 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.964 16.926 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.024 15.814 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.135 14.466 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.047 15.849 3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.057 16.155 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.382 18.225 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.721 18.132 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.742 17.835 2.543 1.00 0.00 H new ATOM 394 N HIS A 25 11.345 12.034 -1.670 1.00 0.00 N ATOM 395 CA HIS A 25 10.379 10.950 -1.301 1.00 0.00 C ATOM 396 C HIS A 25 10.262 9.926 -2.436 1.00 0.00 C ATOM 397 O HIS A 25 9.186 9.676 -2.944 1.00 0.00 O ATOM 398 CB HIS A 25 9.002 11.575 -1.022 1.00 0.00 C ATOM 399 CG HIS A 25 9.181 12.918 -0.365 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.644 13.055 0.938 1.00 0.00 N ATOM 401 CD2 HIS A 25 8.966 14.196 -0.822 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.694 14.372 1.214 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.292 15.106 0.175 1.00 0.00 N ATOM 0 H HIS A 25 11.220 12.421 -2.605 1.00 0.00 H new ATOM 0 HA HIS A 25 10.741 10.438 -0.409 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.446 11.686 -1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.417 10.919 -0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.600 14.453 -1.805 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.019 14.783 2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.236 16.123 0.124 1.00 0.00 H new ATOM 411 N LYS A 26 11.356 9.314 -2.825 1.00 0.00 N ATOM 412 CA LYS A 26 11.322 8.284 -3.908 1.00 0.00 C ATOM 413 C LYS A 26 12.087 7.060 -3.405 1.00 0.00 C ATOM 414 O LYS A 26 13.059 7.186 -2.687 1.00 0.00 O ATOM 415 CB LYS A 26 12.009 8.844 -5.162 1.00 0.00 C ATOM 416 CG LYS A 26 11.751 7.926 -6.372 1.00 0.00 C ATOM 417 CD LYS A 26 10.407 8.279 -7.040 1.00 0.00 C ATOM 418 CE LYS A 26 10.592 9.439 -8.024 1.00 0.00 C ATOM 419 NZ LYS A 26 9.299 9.713 -8.714 1.00 0.00 N ATOM 0 H LYS A 26 12.281 9.488 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 26 10.295 8.017 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.636 9.846 -5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.081 8.933 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.561 8.030 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.742 6.885 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.013 7.408 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.675 8.551 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.930 10.330 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.362 9.191 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.422 10.500 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.995 8.864 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.577 9.967 -8.010 1.00 0.00 H new ATOM 433 N LEU A 27 11.650 5.871 -3.751 1.00 0.00 N ATOM 434 CA LEU A 27 12.355 4.645 -3.253 1.00 0.00 C ATOM 435 C LEU A 27 13.390 4.159 -4.285 1.00 0.00 C ATOM 436 O LEU A 27 13.098 3.985 -5.452 1.00 0.00 O ATOM 437 CB LEU A 27 11.305 3.536 -2.979 1.00 0.00 C ATOM 438 CG LEU A 27 11.413 3.003 -1.529 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.730 3.967 -0.556 1.00 0.00 C ATOM 440 CD2 LEU A 27 10.747 1.630 -1.442 1.00 0.00 C ATOM 0 H LEU A 27 10.844 5.697 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 27 12.886 4.882 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.303 3.931 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.448 2.715 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 27 12.466 2.919 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.814 3.579 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.212 4.943 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.677 4.066 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.822 1.253 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.697 1.717 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.247 0.940 -2.122 1.00 0.00 H new ATOM 452 N LYS A 28 14.595 3.921 -3.832 1.00 0.00 N ATOM 453 CA LYS A 28 15.681 3.418 -4.734 1.00 0.00 C ATOM 454 C LYS A 28 15.968 1.948 -4.412 1.00 0.00 C ATOM 455 O LYS A 28 15.754 1.503 -3.305 1.00 0.00 O ATOM 456 CB LYS A 28 16.953 4.221 -4.493 1.00 0.00 C ATOM 457 CG LYS A 28 16.750 5.665 -4.942 1.00 0.00 C ATOM 458 CD LYS A 28 18.107 6.368 -4.983 1.00 0.00 C ATOM 459 CE LYS A 28 17.910 7.883 -5.045 1.00 0.00 C ATOM 460 NZ LYS A 28 19.143 8.521 -5.587 1.00 0.00 N ATOM 0 H LYS A 28 14.878 4.055 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 28 15.363 3.522 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.216 4.194 -3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.784 3.775 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.282 5.691 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.079 6.182 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.689 6.105 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.674 6.031 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.055 8.124 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.692 8.273 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.347 9.390 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.943 7.863 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.000 8.756 -6.590 1.00 0.00 H new ATOM 474 N LYS A 29 16.462 1.190 -5.359 1.00 0.00 N ATOM 475 CA LYS A 29 16.767 -0.250 -5.082 1.00 0.00 C ATOM 476 C LYS A 29 17.504 -0.364 -3.741 1.00 0.00 C ATOM 477 O LYS A 29 17.169 -1.178 -2.904 1.00 0.00 O ATOM 478 CB LYS A 29 17.642 -0.811 -6.210 1.00 0.00 C ATOM 479 CG LYS A 29 18.058 -2.256 -5.885 1.00 0.00 C ATOM 480 CD LYS A 29 18.449 -2.992 -7.174 1.00 0.00 C ATOM 481 CE LYS A 29 19.473 -2.166 -7.957 1.00 0.00 C ATOM 482 NZ LYS A 29 20.552 -1.714 -7.035 1.00 0.00 N ATOM 0 H LYS A 29 16.667 1.503 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 29 15.840 -0.821 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.095 -0.785 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.528 -0.189 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.897 -2.254 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.237 -2.778 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.866 -3.970 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.564 -3.165 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.896 -2.762 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.988 -1.305 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.460 -1.703 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.336 -0.757 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.615 -2.367 -6.228 1.00 0.00 H new ATOM 496 N SER A 30 18.498 0.458 -3.530 1.00 0.00 N ATOM 497 CA SER A 30 19.251 0.412 -2.238 1.00 0.00 C ATOM 498 C SER A 30 18.260 0.412 -1.069 1.00 0.00 C ATOM 499 O SER A 30 18.618 0.153 0.063 1.00 0.00 O ATOM 500 CB SER A 30 20.157 1.642 -2.125 1.00 0.00 C ATOM 501 OG SER A 30 20.873 1.814 -3.341 1.00 0.00 O ATOM 0 H SER A 30 18.822 1.160 -4.195 1.00 0.00 H new ATOM 0 HA SER A 30 19.857 -0.493 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.560 2.529 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.853 1.520 -1.295 1.00 0.00 H new ATOM 0 HG SER A 30 21.452 2.602 -3.271 1.00 0.00 H new ATOM 507 N GLU A 31 17.011 0.683 -1.345 1.00 0.00 N ATOM 508 CA GLU A 31 15.979 0.693 -0.263 1.00 0.00 C ATOM 509 C GLU A 31 15.252 -0.647 -0.246 1.00 0.00 C ATOM 510 O GLU A 31 14.941 -1.164 0.798 1.00 0.00 O ATOM 511 CB GLU A 31 14.999 1.843 -0.504 1.00 0.00 C ATOM 512 CG GLU A 31 15.798 3.141 -0.650 1.00 0.00 C ATOM 513 CD GLU A 31 14.847 4.326 -0.794 1.00 0.00 C ATOM 514 OE1 GLU A 31 13.870 4.371 -0.065 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.110 5.173 -1.633 1.00 0.00 O ATOM 0 H GLU A 31 16.659 0.899 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 31 16.455 0.842 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.411 1.657 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.297 1.922 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.440 3.283 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.451 3.080 -1.521 1.00 0.00 H new ATOM 522 N LEU A 32 15.006 -1.235 -1.380 1.00 0.00 N ATOM 523 CA LEU A 32 14.324 -2.562 -1.379 1.00 0.00 C ATOM 524 C LEU A 32 15.230 -3.569 -0.663 1.00 0.00 C ATOM 525 O LEU A 32 14.858 -4.166 0.329 1.00 0.00 O ATOM 526 CB LEU A 32 14.077 -3.027 -2.837 1.00 0.00 C ATOM 527 CG LEU A 32 12.631 -2.747 -3.313 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.696 -3.872 -2.847 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.126 -1.390 -2.790 1.00 0.00 C ATOM 0 H LEU A 32 15.243 -0.862 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 32 13.364 -2.489 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.778 -2.521 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.281 -4.095 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 32 12.634 -2.710 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.681 -3.666 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.033 -4.821 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.710 -3.929 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.108 -1.221 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.139 -1.393 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.773 -0.594 -3.159 1.00 0.00 H new ATOM 541 N LYS A 33 16.415 -3.763 -1.166 1.00 0.00 N ATOM 542 CA LYS A 33 17.351 -4.725 -0.539 1.00 0.00 C ATOM 543 C LYS A 33 17.581 -4.350 0.932 1.00 0.00 C ATOM 544 O LYS A 33 17.715 -5.205 1.786 1.00 0.00 O ATOM 545 CB LYS A 33 18.664 -4.656 -1.319 1.00 0.00 C ATOM 546 CG LYS A 33 19.457 -5.962 -1.165 1.00 0.00 C ATOM 547 CD LYS A 33 20.855 -5.782 -1.783 1.00 0.00 C ATOM 548 CE LYS A 33 21.824 -5.204 -0.744 1.00 0.00 C ATOM 549 NZ LYS A 33 23.168 -5.023 -1.364 1.00 0.00 N ATOM 0 H LYS A 33 16.776 -3.289 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 33 16.945 -5.736 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.457 -4.473 -2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.262 -3.818 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.544 -6.227 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.932 -6.781 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.227 -6.741 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.796 -5.118 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.451 -4.249 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.895 -5.872 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.825 -4.631 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.524 -5.942 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.094 -4.369 -2.169 1.00 0.00 H new ATOM 563 N GLU A 34 17.637 -3.079 1.234 1.00 0.00 N ATOM 564 CA GLU A 34 17.872 -2.662 2.654 1.00 0.00 C ATOM 565 C GLU A 34 16.556 -2.692 3.437 1.00 0.00 C ATOM 566 O GLU A 34 16.521 -3.047 4.598 1.00 0.00 O ATOM 567 CB GLU A 34 18.453 -1.248 2.689 1.00 0.00 C ATOM 568 CG GLU A 34 19.862 -1.262 2.088 1.00 0.00 C ATOM 569 CD GLU A 34 20.420 0.161 2.047 1.00 0.00 C ATOM 570 OE1 GLU A 34 19.871 1.012 2.726 1.00 0.00 O ATOM 571 OE2 GLU A 34 21.391 0.374 1.339 1.00 0.00 O ATOM 0 H GLU A 34 17.531 -2.315 0.567 1.00 0.00 H new ATOM 0 HA GLU A 34 18.577 -3.356 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.813 -0.566 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.487 -0.882 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.515 -1.902 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.834 -1.681 1.082 1.00 0.00 H new ATOM 578 N LEU A 35 15.476 -2.321 2.814 1.00 0.00 N ATOM 579 CA LEU A 35 14.162 -2.324 3.519 1.00 0.00 C ATOM 580 C LEU A 35 13.704 -3.768 3.726 1.00 0.00 C ATOM 581 O LEU A 35 12.995 -4.084 4.661 1.00 0.00 O ATOM 582 CB LEU A 35 13.133 -1.579 2.658 1.00 0.00 C ATOM 583 CG LEU A 35 11.764 -1.553 3.350 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.852 -0.789 4.678 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.769 -0.856 2.421 1.00 0.00 C ATOM 0 H LEU A 35 15.444 -2.014 1.842 1.00 0.00 H new ATOM 0 HA LEU A 35 14.258 -1.832 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.473 -0.560 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.045 -2.064 1.686 1.00 0.00 H new ATOM 0 HG LEU A 35 11.439 -2.572 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.873 -0.779 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.572 -1.280 5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.174 0.235 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.788 -0.827 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.107 0.161 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.702 -1.405 1.482 1.00 0.00 H new ATOM 597 N ILE A 36 14.092 -4.636 2.842 1.00 0.00 N ATOM 598 CA ILE A 36 13.678 -6.061 2.941 1.00 0.00 C ATOM 599 C ILE A 36 14.520 -6.793 3.999 1.00 0.00 C ATOM 600 O ILE A 36 14.022 -7.615 4.743 1.00 0.00 O ATOM 601 CB ILE A 36 13.870 -6.705 1.554 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.760 -6.205 0.618 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.816 -8.237 1.649 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.089 -6.595 -0.825 1.00 0.00 C ATOM 0 H ILE A 36 14.687 -4.418 2.043 1.00 0.00 H new ATOM 0 HA ILE A 36 12.634 -6.132 3.247 1.00 0.00 H new ATOM 0 HB ILE A 36 14.848 -6.424 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.802 -6.634 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.662 -5.122 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.954 -8.668 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.607 -8.589 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.848 -8.543 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.300 -6.239 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.038 -6.144 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.164 -7.680 -0.901 1.00 0.00 H new ATOM 616 N ASN A 37 15.795 -6.529 4.043 1.00 0.00 N ATOM 617 CA ASN A 37 16.681 -7.233 5.020 1.00 0.00 C ATOM 618 C ASN A 37 16.624 -6.597 6.420 1.00 0.00 C ATOM 619 O ASN A 37 16.898 -7.251 7.406 1.00 0.00 O ATOM 620 CB ASN A 37 18.120 -7.181 4.505 1.00 0.00 C ATOM 621 CG ASN A 37 18.994 -8.130 5.328 1.00 0.00 C ATOM 622 OD1 ASN A 37 20.160 -8.307 5.037 1.00 0.00 O ATOM 623 ND2 ASN A 37 18.474 -8.753 6.352 1.00 0.00 N ATOM 0 H ASN A 37 16.267 -5.853 3.443 1.00 0.00 H new ATOM 0 HA ASN A 37 16.332 -8.262 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.151 -7.463 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.505 -6.164 4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.047 -9.388 6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.495 -8.604 6.596 1.00 0.00 H new ATOM 630 N ASN A 38 16.328 -5.326 6.525 1.00 0.00 N ATOM 631 CA ASN A 38 16.322 -4.677 7.881 1.00 0.00 C ATOM 632 C ASN A 38 14.937 -4.763 8.550 1.00 0.00 C ATOM 633 O ASN A 38 14.835 -5.025 9.732 1.00 0.00 O ATOM 634 CB ASN A 38 16.761 -3.202 7.744 1.00 0.00 C ATOM 635 CG ASN A 38 15.556 -2.293 7.471 1.00 0.00 C ATOM 636 OD1 ASN A 38 14.747 -2.579 6.613 1.00 0.00 O ATOM 637 ND2 ASN A 38 15.399 -1.209 8.181 1.00 0.00 N ATOM 0 H ASN A 38 16.093 -4.713 5.745 1.00 0.00 H new ATOM 0 HA ASN A 38 17.024 -5.213 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.263 -2.882 8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.483 -3.108 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.596 -0.602 8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.079 -0.969 8.902 1.00 0.00 H new ATOM 644 N GLU A 39 13.877 -4.520 7.819 1.00 0.00 N ATOM 645 CA GLU A 39 12.506 -4.561 8.434 1.00 0.00 C ATOM 646 C GLU A 39 11.796 -5.865 8.071 1.00 0.00 C ATOM 647 O GLU A 39 11.430 -6.643 8.931 1.00 0.00 O ATOM 648 CB GLU A 39 11.687 -3.380 7.900 1.00 0.00 C ATOM 649 CG GLU A 39 12.128 -2.086 8.597 1.00 0.00 C ATOM 650 CD GLU A 39 11.512 -2.019 9.997 1.00 0.00 C ATOM 651 OE1 GLU A 39 10.296 -1.972 10.086 1.00 0.00 O ATOM 652 OE2 GLU A 39 12.267 -2.014 10.955 1.00 0.00 O ATOM 0 H GLU A 39 13.898 -4.295 6.824 1.00 0.00 H new ATOM 0 HA GLU A 39 12.600 -4.500 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.823 -3.288 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.625 -3.554 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.215 -2.051 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.817 -1.221 8.011 1.00 0.00 H new ATOM 659 N LEU A 40 11.579 -6.102 6.811 1.00 0.00 N ATOM 660 CA LEU A 40 10.870 -7.348 6.402 1.00 0.00 C ATOM 661 C LEU A 40 11.841 -8.533 6.461 1.00 0.00 C ATOM 662 O LEU A 40 11.773 -9.440 5.659 1.00 0.00 O ATOM 663 CB LEU A 40 10.313 -7.190 4.971 1.00 0.00 C ATOM 664 CG LEU A 40 9.908 -5.728 4.688 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.408 -5.630 3.240 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.803 -5.251 5.668 1.00 0.00 C ATOM 0 H LEU A 40 11.860 -5.490 6.045 1.00 0.00 H new ATOM 0 HA LEU A 40 10.040 -7.531 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.064 -7.508 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.449 -7.841 4.840 1.00 0.00 H new ATOM 0 HG LEU A 40 10.775 -5.083 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.118 -4.602 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.203 -5.933 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.547 -6.286 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.539 -4.218 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.922 -5.883 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.171 -5.317 6.692 1.00 0.00 H new ATOM 678 N SER A 41 12.745 -8.533 7.402 1.00 0.00 N ATOM 679 CA SER A 41 13.721 -9.659 7.508 1.00 0.00 C ATOM 680 C SER A 41 13.120 -10.801 8.339 1.00 0.00 C ATOM 681 O SER A 41 13.590 -11.920 8.292 1.00 0.00 O ATOM 682 CB SER A 41 15.007 -9.144 8.182 1.00 0.00 C ATOM 683 OG SER A 41 15.193 -9.790 9.440 1.00 0.00 O ATOM 0 H SER A 41 12.851 -7.801 8.104 1.00 0.00 H new ATOM 0 HA SER A 41 13.952 -10.036 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.865 -9.332 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.946 -8.065 8.324 1.00 0.00 H new ATOM 0 HG SER A 41 14.378 -9.702 9.977 1.00 0.00 H new ATOM 689 N HIS A 42 12.090 -10.534 9.105 1.00 0.00 N ATOM 690 CA HIS A 42 11.473 -11.612 9.943 1.00 0.00 C ATOM 691 C HIS A 42 10.242 -12.176 9.234 1.00 0.00 C ATOM 692 O HIS A 42 9.776 -13.254 9.549 1.00 0.00 O ATOM 693 CB HIS A 42 11.050 -11.028 11.293 1.00 0.00 C ATOM 694 CG HIS A 42 12.260 -10.511 12.020 1.00 0.00 C ATOM 695 ND1 HIS A 42 13.521 -10.497 11.443 1.00 0.00 N ATOM 696 CD2 HIS A 42 12.417 -9.983 13.279 1.00 0.00 C ATOM 697 CE1 HIS A 42 14.374 -9.977 12.345 1.00 0.00 C ATOM 698 NE2 HIS A 42 13.752 -9.649 13.477 1.00 0.00 N ATOM 0 H HIS A 42 11.650 -9.618 9.187 1.00 0.00 H new ATOM 0 HA HIS A 42 12.202 -12.408 10.096 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.331 -10.222 11.143 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.552 -11.791 11.891 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.626 -9.848 14.002 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.432 -9.842 12.173 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.168 -9.239 14.313 1.00 0.00 H new ATOM 707 N PHE A 43 9.706 -11.452 8.281 1.00 0.00 N ATOM 708 CA PHE A 43 8.494 -11.930 7.540 1.00 0.00 C ATOM 709 C PHE A 43 8.865 -12.218 6.083 1.00 0.00 C ATOM 710 O PHE A 43 8.389 -13.168 5.495 1.00 0.00 O ATOM 711 CB PHE A 43 7.411 -10.846 7.600 1.00 0.00 C ATOM 712 CG PHE A 43 6.794 -10.843 8.981 1.00 0.00 C ATOM 713 CD1 PHE A 43 7.471 -10.241 10.048 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.553 -11.457 9.197 1.00 0.00 C ATOM 715 CE1 PHE A 43 6.906 -10.250 11.330 1.00 0.00 C ATOM 716 CE2 PHE A 43 4.990 -11.468 10.479 1.00 0.00 C ATOM 717 CZ PHE A 43 5.667 -10.865 11.545 1.00 0.00 C ATOM 0 H PHE A 43 10.059 -10.543 7.982 1.00 0.00 H new ATOM 0 HA PHE A 43 8.117 -12.845 7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.842 -9.870 7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.647 -11.035 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.429 -9.770 9.883 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.030 -11.922 8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.427 -9.782 12.153 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.034 -11.942 10.645 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.233 -10.874 12.534 1.00 0.00 H new ATOM 727 N LEU A 44 9.726 -11.417 5.505 1.00 0.00 N ATOM 728 CA LEU A 44 10.155 -11.646 4.086 1.00 0.00 C ATOM 729 C LEU A 44 11.616 -12.103 4.091 1.00 0.00 C ATOM 730 O LEU A 44 12.460 -11.502 4.725 1.00 0.00 O ATOM 731 CB LEU A 44 10.016 -10.339 3.291 1.00 0.00 C ATOM 732 CG LEU A 44 10.040 -10.624 1.780 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.758 -11.364 1.340 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.149 -9.290 1.027 1.00 0.00 C ATOM 0 H LEU A 44 10.154 -10.609 5.957 1.00 0.00 H new ATOM 0 HA LEU A 44 9.530 -12.408 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.084 -9.841 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.827 -9.659 3.552 1.00 0.00 H new ATOM 0 HG LEU A 44 10.896 -11.259 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.798 -11.555 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.683 -12.311 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.887 -10.749 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.167 -9.479 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.291 -8.663 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.066 -8.780 1.321 1.00 0.00 H new ATOM 746 N GLU A 45 11.921 -13.168 3.406 1.00 0.00 N ATOM 747 CA GLU A 45 13.324 -13.663 3.392 1.00 0.00 C ATOM 748 C GLU A 45 14.267 -12.522 3.009 1.00 0.00 C ATOM 749 O GLU A 45 14.012 -11.778 2.084 1.00 0.00 O ATOM 750 CB GLU A 45 13.457 -14.798 2.376 1.00 0.00 C ATOM 751 CG GLU A 45 13.092 -14.282 0.984 1.00 0.00 C ATOM 752 CD GLU A 45 12.933 -15.466 0.029 1.00 0.00 C ATOM 753 OE1 GLU A 45 12.961 -16.591 0.502 1.00 0.00 O ATOM 754 OE2 GLU A 45 12.784 -15.229 -1.159 1.00 0.00 O ATOM 0 H GLU A 45 11.260 -13.717 2.856 1.00 0.00 H new ATOM 0 HA GLU A 45 13.586 -14.032 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.477 -15.183 2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.803 -15.626 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.166 -13.709 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.867 -13.608 0.619 1.00 0.00 H new ATOM 761 N GLU A 46 15.358 -12.383 3.711 1.00 0.00 N ATOM 762 CA GLU A 46 16.320 -11.294 3.382 1.00 0.00 C ATOM 763 C GLU A 46 17.036 -11.641 2.077 1.00 0.00 C ATOM 764 O GLU A 46 17.926 -12.469 2.045 1.00 0.00 O ATOM 765 CB GLU A 46 17.343 -11.144 4.518 1.00 0.00 C ATOM 766 CG GLU A 46 17.696 -12.522 5.085 1.00 0.00 C ATOM 767 CD GLU A 46 18.959 -12.416 5.942 1.00 0.00 C ATOM 768 OE1 GLU A 46 20.010 -12.142 5.386 1.00 0.00 O ATOM 769 OE2 GLU A 46 18.853 -12.609 7.143 1.00 0.00 O ATOM 0 H GLU A 46 15.624 -12.976 4.497 1.00 0.00 H new ATOM 0 HA GLU A 46 15.785 -10.352 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.242 -10.652 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.935 -10.510 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.869 -12.903 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.854 -13.231 4.272 1.00 0.00 H new ATOM 776 N ILE A 47 16.654 -11.022 0.995 1.00 0.00 N ATOM 777 CA ILE A 47 17.313 -11.331 -0.304 1.00 0.00 C ATOM 778 C ILE A 47 18.794 -10.948 -0.241 1.00 0.00 C ATOM 779 O ILE A 47 19.165 -9.928 0.304 1.00 0.00 O ATOM 780 CB ILE A 47 16.632 -10.556 -1.440 1.00 0.00 C ATOM 781 CG1 ILE A 47 16.576 -9.061 -1.108 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.208 -11.075 -1.636 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.089 -8.290 -2.338 1.00 0.00 C ATOM 0 H ILE A 47 15.917 -10.318 0.954 1.00 0.00 H new ATOM 0 HA ILE A 47 17.223 -12.400 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 47 17.210 -10.700 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.905 -8.888 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.562 -8.706 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.727 -10.523 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.239 -12.135 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.641 -10.938 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.047 -7.226 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.777 -8.455 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.095 -8.640 -2.617 1.00 0.00 H new ATOM 795 N LYS A 48 19.641 -11.762 -0.816 1.00 0.00 N ATOM 796 CA LYS A 48 21.106 -11.466 -0.832 1.00 0.00 C ATOM 797 C LYS A 48 21.484 -11.080 -2.259 1.00 0.00 C ATOM 798 O LYS A 48 22.510 -10.481 -2.511 1.00 0.00 O ATOM 799 CB LYS A 48 21.885 -12.716 -0.417 1.00 0.00 C ATOM 800 CG LYS A 48 21.752 -12.923 1.091 1.00 0.00 C ATOM 801 CD LYS A 48 22.230 -14.327 1.457 1.00 0.00 C ATOM 802 CE LYS A 48 22.298 -14.468 2.979 1.00 0.00 C ATOM 803 NZ LYS A 48 23.058 -15.700 3.329 1.00 0.00 N ATOM 0 H LYS A 48 19.377 -12.630 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 48 21.343 -10.658 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.505 -13.588 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.935 -12.610 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.340 -12.176 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.714 -12.789 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.551 -15.072 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.211 -14.513 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.781 -13.593 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.292 -14.517 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.105 -15.797 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.579 -16.530 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.022 -15.635 2.943 1.00 0.00 H new ATOM 817 N GLU A 49 20.636 -11.427 -3.192 1.00 0.00 N ATOM 818 CA GLU A 49 20.882 -11.104 -4.629 1.00 0.00 C ATOM 819 C GLU A 49 19.836 -10.090 -5.089 1.00 0.00 C ATOM 820 O GLU A 49 18.716 -10.087 -4.620 1.00 0.00 O ATOM 821 CB GLU A 49 20.749 -12.379 -5.468 1.00 0.00 C ATOM 822 CG GLU A 49 21.766 -13.419 -4.992 1.00 0.00 C ATOM 823 CD GLU A 49 21.720 -14.635 -5.920 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.052 -14.480 -7.083 1.00 0.00 O ATOM 825 OE2 GLU A 49 21.355 -15.701 -5.451 1.00 0.00 O ATOM 0 H GLU A 49 19.767 -11.930 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 49 21.884 -10.692 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.739 -12.779 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.913 -12.151 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.768 -12.989 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.543 -13.720 -3.968 1.00 0.00 H new ATOM 832 N GLN A 50 20.187 -9.232 -6.001 1.00 0.00 N ATOM 833 CA GLN A 50 19.207 -8.222 -6.488 1.00 0.00 C ATOM 834 C GLN A 50 18.338 -8.849 -7.582 1.00 0.00 C ATOM 835 O GLN A 50 17.273 -8.362 -7.904 1.00 0.00 O ATOM 836 CB GLN A 50 19.966 -7.025 -7.066 1.00 0.00 C ATOM 837 CG GLN A 50 20.906 -6.450 -6.003 1.00 0.00 C ATOM 838 CD GLN A 50 21.503 -5.135 -6.509 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.118 -4.403 -5.758 1.00 0.00 O ATOM 840 NE2 GLN A 50 21.348 -4.803 -7.762 1.00 0.00 N ATOM 0 H GLN A 50 21.110 -9.185 -6.432 1.00 0.00 H new ATOM 0 HA GLN A 50 18.575 -7.893 -5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.537 -7.332 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.263 -6.260 -7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 50 20.362 -6.281 -5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.701 -7.162 -5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.832 -5.417 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.743 -3.930 -8.111 1.00 0.00 H new ATOM 849 N GLU A 51 18.804 -9.911 -8.175 1.00 0.00 N ATOM 850 CA GLU A 51 18.046 -10.570 -9.274 1.00 0.00 C ATOM 851 C GLU A 51 16.555 -10.629 -8.981 1.00 0.00 C ATOM 852 O GLU A 51 15.747 -10.310 -9.832 1.00 0.00 O ATOM 853 CB GLU A 51 18.582 -11.986 -9.486 1.00 0.00 C ATOM 854 CG GLU A 51 20.032 -11.914 -9.962 1.00 0.00 C ATOM 855 CD GLU A 51 20.625 -13.324 -10.015 1.00 0.00 C ATOM 856 OE1 GLU A 51 19.894 -14.262 -9.742 1.00 0.00 O ATOM 857 OE2 GLU A 51 21.798 -13.442 -10.327 1.00 0.00 O ATOM 0 H GLU A 51 19.691 -10.357 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 51 18.184 -9.975 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.520 -12.553 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.972 -12.511 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.079 -11.451 -10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.616 -11.288 -9.288 1.00 0.00 H new ATOM 864 N VAL A 52 16.160 -11.013 -7.807 1.00 0.00 N ATOM 865 CA VAL A 52 14.703 -11.055 -7.527 1.00 0.00 C ATOM 866 C VAL A 52 14.213 -9.629 -7.387 1.00 0.00 C ATOM 867 O VAL A 52 13.135 -9.280 -7.822 1.00 0.00 O ATOM 868 CB VAL A 52 14.424 -11.837 -6.241 1.00 0.00 C ATOM 869 CG1 VAL A 52 14.846 -13.297 -6.425 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.217 -11.222 -5.085 1.00 0.00 C ATOM 0 H VAL A 52 16.769 -11.296 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 52 14.182 -11.558 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 52 13.358 -11.792 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.646 -13.852 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.281 -13.738 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.911 -13.342 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.018 -11.779 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.282 -11.265 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.916 -10.183 -4.950 1.00 0.00 H new ATOM 880 N VAL A 53 15.012 -8.797 -6.801 1.00 0.00 N ATOM 881 CA VAL A 53 14.613 -7.381 -6.649 1.00 0.00 C ATOM 882 C VAL A 53 14.535 -6.792 -8.055 1.00 0.00 C ATOM 883 O VAL A 53 13.820 -5.846 -8.310 1.00 0.00 O ATOM 884 CB VAL A 53 15.649 -6.661 -5.739 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.495 -5.640 -6.516 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.940 -5.931 -4.600 1.00 0.00 C ATOM 0 H VAL A 53 15.927 -9.036 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 53 13.642 -7.262 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 53 16.309 -7.435 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.203 -5.164 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.040 -6.149 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.843 -4.882 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.678 -5.432 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.255 -5.190 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.380 -6.649 -4.001 1.00 0.00 H new ATOM 896 N ASP A 54 15.248 -7.377 -8.977 1.00 0.00 N ATOM 897 CA ASP A 54 15.189 -6.879 -10.373 1.00 0.00 C ATOM 898 C ASP A 54 13.887 -7.393 -10.965 1.00 0.00 C ATOM 899 O ASP A 54 13.251 -6.747 -11.775 1.00 0.00 O ATOM 900 CB ASP A 54 16.372 -7.420 -11.177 1.00 0.00 C ATOM 901 CG ASP A 54 16.388 -6.768 -12.560 1.00 0.00 C ATOM 902 OD1 ASP A 54 15.994 -5.617 -12.656 1.00 0.00 O ATOM 903 OD2 ASP A 54 16.795 -7.431 -13.501 1.00 0.00 O ATOM 0 H ASP A 54 15.865 -8.174 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 54 15.235 -5.790 -10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.306 -7.213 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.295 -8.503 -11.274 1.00 0.00 H new ATOM 908 N LYS A 55 13.483 -8.559 -10.542 1.00 0.00 N ATOM 909 CA LYS A 55 12.212 -9.140 -11.048 1.00 0.00 C ATOM 910 C LYS A 55 11.038 -8.501 -10.298 1.00 0.00 C ATOM 911 O LYS A 55 10.087 -8.048 -10.903 1.00 0.00 O ATOM 912 CB LYS A 55 12.216 -10.658 -10.825 1.00 0.00 C ATOM 913 CG LYS A 55 10.807 -11.254 -11.084 1.00 0.00 C ATOM 914 CD LYS A 55 10.085 -11.515 -9.751 1.00 0.00 C ATOM 915 CE LYS A 55 8.577 -11.644 -9.989 1.00 0.00 C ATOM 916 NZ LYS A 55 7.959 -12.377 -8.848 1.00 0.00 N ATOM 0 H LYS A 55 13.982 -9.135 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 55 12.112 -8.941 -12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.942 -11.126 -11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.528 -10.880 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.221 -10.567 -11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.896 -12.184 -11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.469 -12.426 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.283 -10.700 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.127 -10.656 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.389 -12.175 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.935 -12.466 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.382 -13.324 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.128 -11.853 -7.966 1.00 0.00 H new ATOM 930 N VAL A 56 11.087 -8.449 -8.988 1.00 0.00 N ATOM 931 CA VAL A 56 9.961 -7.825 -8.231 1.00 0.00 C ATOM 932 C VAL A 56 9.670 -6.446 -8.835 1.00 0.00 C ATOM 933 O VAL A 56 8.533 -6.078 -9.052 1.00 0.00 O ATOM 934 CB VAL A 56 10.333 -7.724 -6.726 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.039 -6.394 -6.409 1.00 0.00 C ATOM 936 CG2 VAL A 56 9.061 -7.838 -5.869 1.00 0.00 C ATOM 0 H VAL A 56 11.852 -8.809 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 56 9.062 -8.436 -8.307 1.00 0.00 H new ATOM 0 HB VAL A 56 11.017 -8.540 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.285 -6.357 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.954 -6.319 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.379 -5.563 -6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.326 -7.767 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.375 -7.031 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.579 -8.797 -6.058 1.00 0.00 H new ATOM 946 N MET A 57 10.695 -5.689 -9.117 1.00 0.00 N ATOM 947 CA MET A 57 10.477 -4.342 -9.719 1.00 0.00 C ATOM 948 C MET A 57 9.701 -4.500 -11.027 1.00 0.00 C ATOM 949 O MET A 57 8.847 -3.701 -11.357 1.00 0.00 O ATOM 950 CB MET A 57 11.831 -3.682 -10.003 1.00 0.00 C ATOM 951 CG MET A 57 12.402 -3.105 -8.708 1.00 0.00 C ATOM 952 SD MET A 57 13.987 -2.305 -9.058 1.00 0.00 S ATOM 953 CE MET A 57 13.856 -0.995 -7.820 1.00 0.00 C ATOM 0 H MET A 57 11.670 -5.943 -8.958 1.00 0.00 H new ATOM 0 HA MET A 57 9.911 -3.717 -9.028 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.522 -4.413 -10.423 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.713 -2.892 -10.744 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.705 -2.385 -8.279 1.00 0.00 H new ATOM 0 HG3 MET A 57 12.536 -3.897 -7.971 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.782 -0.421 -7.798 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.027 -0.335 -8.075 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.680 -1.437 -6.839 1.00 0.00 H new ATOM 963 N GLU A 58 9.991 -5.528 -11.774 1.00 0.00 N ATOM 964 CA GLU A 58 9.271 -5.742 -13.060 1.00 0.00 C ATOM 965 C GLU A 58 7.777 -5.881 -12.784 1.00 0.00 C ATOM 966 O GLU A 58 6.950 -5.455 -13.564 1.00 0.00 O ATOM 967 CB GLU A 58 9.786 -7.019 -13.729 1.00 0.00 C ATOM 968 CG GLU A 58 9.262 -7.088 -15.166 1.00 0.00 C ATOM 969 CD GLU A 58 9.724 -8.393 -15.820 1.00 0.00 C ATOM 970 OE1 GLU A 58 10.918 -8.543 -16.014 1.00 0.00 O ATOM 971 OE2 GLU A 58 8.875 -9.217 -16.117 1.00 0.00 O ATOM 0 H GLU A 58 10.696 -6.230 -11.549 1.00 0.00 H new ATOM 0 HA GLU A 58 9.444 -4.892 -13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.876 -7.029 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.458 -7.894 -13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.173 -7.033 -15.170 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.626 -6.234 -15.738 1.00 0.00 H new ATOM 978 N THR A 59 7.424 -6.479 -11.679 1.00 0.00 N ATOM 979 CA THR A 59 5.982 -6.650 -11.354 1.00 0.00 C ATOM 980 C THR A 59 5.461 -5.416 -10.620 1.00 0.00 C ATOM 981 O THR A 59 4.316 -5.038 -10.767 1.00 0.00 O ATOM 982 CB THR A 59 5.800 -7.879 -10.464 1.00 0.00 C ATOM 983 OG1 THR A 59 6.426 -8.999 -11.072 1.00 0.00 O ATOM 984 CG2 THR A 59 4.309 -8.157 -10.291 1.00 0.00 C ATOM 0 H THR A 59 8.073 -6.856 -10.988 1.00 0.00 H new ATOM 0 HA THR A 59 5.423 -6.780 -12.281 1.00 0.00 H new ATOM 0 HB THR A 59 6.253 -7.698 -9.489 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.179 -9.815 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.173 -9.033 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.830 -7.295 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.858 -8.342 -11.266 1.00 0.00 H new ATOM 992 N LEU A 60 6.282 -4.786 -9.816 1.00 0.00 N ATOM 993 CA LEU A 60 5.806 -3.580 -9.062 1.00 0.00 C ATOM 994 C LEU A 60 6.109 -2.302 -9.851 1.00 0.00 C ATOM 995 O LEU A 60 5.246 -1.462 -10.012 1.00 0.00 O ATOM 996 CB LEU A 60 6.493 -3.518 -7.684 1.00 0.00 C ATOM 997 CG LEU A 60 5.674 -4.296 -6.636 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.304 -3.611 -6.386 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.460 -5.741 -7.118 1.00 0.00 C ATOM 0 H LEU A 60 7.253 -5.050 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 60 4.728 -3.659 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.497 -3.936 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.601 -2.479 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 60 6.227 -4.304 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.744 -4.178 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.466 -2.596 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.739 -3.577 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.881 -6.290 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.921 -5.732 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.427 -6.226 -7.255 1.00 0.00 H new ATOM 1011 N ASP A 61 7.301 -2.126 -10.355 1.00 0.00 N ATOM 1012 CA ASP A 61 7.587 -0.883 -11.129 1.00 0.00 C ATOM 1013 C ASP A 61 6.565 -0.762 -12.249 1.00 0.00 C ATOM 1014 O ASP A 61 6.572 -1.507 -13.210 1.00 0.00 O ATOM 1015 CB ASP A 61 9.013 -0.967 -11.695 1.00 0.00 C ATOM 1016 CG ASP A 61 9.581 0.440 -11.904 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.923 1.234 -12.553 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.661 0.700 -11.403 1.00 0.00 O ATOM 0 H ASP A 61 8.080 -2.779 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 61 7.517 -0.002 -10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.651 -1.527 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.006 -1.509 -12.641 1.00 0.00 H new ATOM 1023 N GLU A 62 5.676 0.176 -12.112 1.00 0.00 N ATOM 1024 CA GLU A 62 4.623 0.372 -13.141 1.00 0.00 C ATOM 1025 C GLU A 62 5.185 1.239 -14.248 1.00 0.00 C ATOM 1026 O GLU A 62 5.117 0.902 -15.413 1.00 0.00 O ATOM 1027 CB GLU A 62 3.408 1.052 -12.510 1.00 0.00 C ATOM 1028 CG GLU A 62 2.321 1.241 -13.568 1.00 0.00 C ATOM 1029 CD GLU A 62 1.055 1.787 -12.904 1.00 0.00 C ATOM 1030 OE1 GLU A 62 0.881 1.546 -11.720 1.00 0.00 O ATOM 1031 OE2 GLU A 62 0.283 2.438 -13.589 1.00 0.00 O ATOM 0 H GLU A 62 5.633 0.822 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 62 4.313 -0.590 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.027 0.448 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.695 2.017 -12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.665 1.929 -14.340 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.107 0.292 -14.059 1.00 0.00 H new ATOM 1038 N ASP A 63 5.768 2.340 -13.894 1.00 0.00 N ATOM 1039 CA ASP A 63 6.365 3.205 -14.930 1.00 0.00 C ATOM 1040 C ASP A 63 7.668 2.547 -15.370 1.00 0.00 C ATOM 1041 O ASP A 63 8.365 3.038 -16.235 1.00 0.00 O ATOM 1042 CB ASP A 63 6.642 4.596 -14.350 1.00 0.00 C ATOM 1043 CG ASP A 63 7.126 4.459 -12.904 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.789 3.478 -12.611 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.822 5.339 -12.115 1.00 0.00 O ATOM 0 H ASP A 63 5.856 2.677 -12.935 1.00 0.00 H new ATOM 0 HA ASP A 63 5.690 3.323 -15.778 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.394 5.108 -14.950 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.738 5.203 -14.386 1.00 0.00 H new ATOM 1050 N GLY A 64 8.005 1.427 -14.770 1.00 0.00 N ATOM 1051 CA GLY A 64 9.267 0.744 -15.156 1.00 0.00 C ATOM 1052 C GLY A 64 10.402 1.750 -15.046 1.00 0.00 C ATOM 1053 O GLY A 64 11.221 1.881 -15.933 1.00 0.00 O ATOM 0 H GLY A 64 7.463 0.967 -14.039 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.452 -0.111 -14.505 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.196 0.360 -16.174 1.00 0.00 H new ATOM 1057 N ASP A 65 10.443 2.481 -13.963 1.00 0.00 N ATOM 1058 CA ASP A 65 11.520 3.506 -13.799 1.00 0.00 C ATOM 1059 C ASP A 65 12.684 2.899 -13.026 1.00 0.00 C ATOM 1060 O ASP A 65 13.716 3.516 -12.851 1.00 0.00 O ATOM 1061 CB ASP A 65 10.969 4.707 -13.025 1.00 0.00 C ATOM 1062 CG ASP A 65 10.523 4.254 -11.634 1.00 0.00 C ATOM 1063 OD1 ASP A 65 10.359 3.061 -11.446 1.00 0.00 O ATOM 1064 OD2 ASP A 65 10.355 5.109 -10.779 1.00 0.00 O ATOM 0 H ASP A 65 9.783 2.415 -13.189 1.00 0.00 H new ATOM 0 HA ASP A 65 11.863 3.832 -14.781 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.733 5.480 -12.940 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.129 5.146 -13.563 1.00 0.00 H new ATOM 1069 N GLY A 66 12.528 1.695 -12.553 1.00 0.00 N ATOM 1070 CA GLY A 66 13.631 1.054 -11.780 1.00 0.00 C ATOM 1071 C GLY A 66 13.530 1.509 -10.327 1.00 0.00 C ATOM 1072 O GLY A 66 14.302 1.111 -9.478 1.00 0.00 O ATOM 0 H GLY A 66 11.688 1.127 -12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.557 -0.032 -11.843 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.598 1.332 -12.198 1.00 0.00 H new ATOM 1076 N GLU A 67 12.560 2.338 -10.043 1.00 0.00 N ATOM 1077 CA GLU A 67 12.349 2.838 -8.651 1.00 0.00 C ATOM 1078 C GLU A 67 10.872 2.664 -8.312 1.00 0.00 C ATOM 1079 O GLU A 67 10.054 2.463 -9.187 1.00 0.00 O ATOM 1080 CB GLU A 67 12.724 4.319 -8.565 1.00 0.00 C ATOM 1081 CG GLU A 67 14.241 4.484 -8.725 1.00 0.00 C ATOM 1082 CD GLU A 67 14.621 4.348 -10.201 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.974 4.980 -11.018 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.554 3.614 -10.488 1.00 0.00 O ATOM 0 H GLU A 67 11.894 2.696 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 67 12.973 2.282 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.205 4.880 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.404 4.729 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.553 5.458 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.763 3.731 -8.134 1.00 0.00 H new ATOM 1091 N CYS A 68 10.524 2.707 -7.052 1.00 0.00 N ATOM 1092 CA CYS A 68 9.092 2.507 -6.654 1.00 0.00 C ATOM 1093 C CYS A 68 8.517 3.761 -5.987 1.00 0.00 C ATOM 1094 O CYS A 68 8.734 4.002 -4.816 1.00 0.00 O ATOM 1095 CB CYS A 68 9.016 1.344 -5.664 1.00 0.00 C ATOM 1096 SG CYS A 68 9.887 -0.089 -6.346 1.00 0.00 S ATOM 0 H CYS A 68 11.168 2.872 -6.278 1.00 0.00 H new ATOM 0 HA CYS A 68 8.510 2.297 -7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.461 1.634 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.975 1.089 -5.465 1.00 0.00 H new ATOM 0 HG CYS A 68 9.824 -1.077 -5.503 1.00 0.00 H new ATOM 1102 N ASP A 69 7.784 4.565 -6.722 1.00 0.00 N ATOM 1103 CA ASP A 69 7.182 5.788 -6.112 1.00 0.00 C ATOM 1104 C ASP A 69 6.425 5.372 -4.845 1.00 0.00 C ATOM 1105 O ASP A 69 6.449 4.226 -4.465 1.00 0.00 O ATOM 1106 CB ASP A 69 6.211 6.432 -7.109 1.00 0.00 C ATOM 1107 CG ASP A 69 5.922 7.875 -6.692 1.00 0.00 C ATOM 1108 OD1 ASP A 69 6.369 8.267 -5.627 1.00 0.00 O ATOM 1109 OD2 ASP A 69 5.256 8.566 -7.447 1.00 0.00 O ATOM 0 H ASP A 69 7.579 4.426 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 69 7.960 6.509 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.638 6.412 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.283 5.862 -7.147 1.00 0.00 H new ATOM 1114 N PHE A 70 5.755 6.276 -4.183 1.00 0.00 N ATOM 1115 CA PHE A 70 5.023 5.892 -2.936 1.00 0.00 C ATOM 1116 C PHE A 70 3.747 5.087 -3.260 1.00 0.00 C ATOM 1117 O PHE A 70 3.295 4.294 -2.459 1.00 0.00 O ATOM 1118 CB PHE A 70 4.655 7.162 -2.137 1.00 0.00 C ATOM 1119 CG PHE A 70 4.453 8.329 -3.079 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.323 8.377 -3.902 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.400 9.360 -3.133 1.00 0.00 C ATOM 1122 CE1 PHE A 70 3.137 9.453 -4.779 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.218 10.435 -4.011 1.00 0.00 C ATOM 1124 CZ PHE A 70 4.086 10.482 -4.834 1.00 0.00 C ATOM 0 H PHE A 70 5.681 7.258 -4.447 1.00 0.00 H new ATOM 0 HA PHE A 70 5.678 5.259 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.746 6.988 -1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.445 7.394 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.592 7.583 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.272 9.325 -2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.263 9.489 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.950 11.228 -4.054 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.945 11.311 -5.511 1.00 0.00 H new ATOM 1134 N GLN A 71 3.143 5.310 -4.395 1.00 0.00 N ATOM 1135 CA GLN A 71 1.874 4.587 -4.720 1.00 0.00 C ATOM 1136 C GLN A 71 2.127 3.114 -5.057 1.00 0.00 C ATOM 1137 O GLN A 71 1.380 2.247 -4.638 1.00 0.00 O ATOM 1138 CB GLN A 71 1.126 5.278 -5.879 1.00 0.00 C ATOM 1139 CG GLN A 71 2.075 5.645 -7.031 1.00 0.00 C ATOM 1140 CD GLN A 71 2.501 4.383 -7.780 1.00 0.00 C ATOM 1141 OE1 GLN A 71 3.671 4.187 -8.041 1.00 0.00 O ATOM 1142 NE2 GLN A 71 1.596 3.512 -8.136 1.00 0.00 N ATOM 0 H GLN A 71 3.469 5.959 -5.111 1.00 0.00 H new ATOM 0 HA GLN A 71 1.249 4.623 -3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.342 4.618 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.636 6.179 -5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.580 6.334 -7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.953 6.159 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.614 3.678 -7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.871 2.665 -8.634 1.00 0.00 H new ATOM 1151 N GLU A 72 3.171 2.792 -5.771 1.00 0.00 N ATOM 1152 CA GLU A 72 3.424 1.353 -6.080 1.00 0.00 C ATOM 1153 C GLU A 72 4.276 0.768 -4.961 1.00 0.00 C ATOM 1154 O GLU A 72 4.145 -0.382 -4.598 1.00 0.00 O ATOM 1155 CB GLU A 72 4.117 1.229 -7.443 1.00 0.00 C ATOM 1156 CG GLU A 72 5.593 1.678 -7.361 1.00 0.00 C ATOM 1157 CD GLU A 72 6.029 2.285 -8.701 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.660 1.733 -9.725 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.720 3.289 -8.678 1.00 0.00 O ATOM 0 H GLU A 72 3.851 3.451 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 72 2.488 0.798 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.067 0.196 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.590 1.836 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.716 2.410 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.228 0.827 -7.113 1.00 0.00 H new ATOM 1166 N PHE A 73 5.137 1.559 -4.389 1.00 0.00 N ATOM 1167 CA PHE A 73 5.974 1.049 -3.271 1.00 0.00 C ATOM 1168 C PHE A 73 5.054 0.441 -2.223 1.00 0.00 C ATOM 1169 O PHE A 73 5.262 -0.650 -1.751 1.00 0.00 O ATOM 1170 CB PHE A 73 6.759 2.213 -2.671 1.00 0.00 C ATOM 1171 CG PHE A 73 7.354 1.876 -1.318 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.720 0.562 -0.975 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.563 2.915 -0.404 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.288 0.304 0.280 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.134 2.655 0.841 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.496 1.353 1.184 1.00 0.00 C ATOM 0 H PHE A 73 5.297 2.533 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 73 6.675 0.293 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.558 2.499 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.102 3.077 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.564 -0.245 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.280 3.924 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.565 -0.704 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.296 3.462 1.540 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.938 1.153 2.149 1.00 0.00 H new ATOM 1186 N MET A 74 4.006 1.119 -1.870 1.00 0.00 N ATOM 1187 CA MET A 74 3.084 0.522 -0.882 1.00 0.00 C ATOM 1188 C MET A 74 2.580 -0.783 -1.499 1.00 0.00 C ATOM 1189 O MET A 74 2.499 -1.807 -0.851 1.00 0.00 O ATOM 1190 CB MET A 74 1.922 1.501 -0.606 1.00 0.00 C ATOM 1191 CG MET A 74 1.496 1.453 0.878 1.00 0.00 C ATOM 1192 SD MET A 74 -0.283 1.777 1.013 1.00 0.00 S ATOM 1193 CE MET A 74 -0.299 2.291 2.748 1.00 0.00 C ATOM 0 H MET A 74 3.752 2.044 -2.216 1.00 0.00 H new ATOM 0 HA MET A 74 3.573 0.325 0.072 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.226 2.514 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.072 1.249 -1.240 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.731 0.477 1.303 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.055 2.193 1.451 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.109 1.782 3.271 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.652 2.032 3.213 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.450 3.369 2.807 1.00 0.00 H new ATOM 1203 N ALA A 75 2.236 -0.736 -2.757 1.00 0.00 N ATOM 1204 CA ALA A 75 1.727 -1.976 -3.420 1.00 0.00 C ATOM 1205 C ALA A 75 2.715 -3.122 -3.181 1.00 0.00 C ATOM 1206 O ALA A 75 2.361 -4.281 -3.266 1.00 0.00 O ATOM 1207 CB ALA A 75 1.550 -1.744 -4.924 1.00 0.00 C ATOM 0 H ALA A 75 2.283 0.093 -3.349 1.00 0.00 H new ATOM 0 HA ALA A 75 0.758 -2.235 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.179 -2.656 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.836 -0.937 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.509 -1.474 -5.366 1.00 0.00 H new ATOM 1213 N PHE A 76 3.946 -2.819 -2.857 1.00 0.00 N ATOM 1214 CA PHE A 76 4.917 -3.924 -2.592 1.00 0.00 C ATOM 1215 C PHE A 76 4.543 -4.558 -1.259 1.00 0.00 C ATOM 1216 O PHE A 76 4.348 -5.751 -1.162 1.00 0.00 O ATOM 1217 CB PHE A 76 6.356 -3.387 -2.545 1.00 0.00 C ATOM 1218 CG PHE A 76 7.303 -4.459 -2.036 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.387 -5.698 -2.687 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.105 -4.207 -0.911 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.266 -6.679 -2.213 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.983 -5.188 -0.441 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.064 -6.424 -1.090 1.00 0.00 C ATOM 0 H PHE A 76 4.316 -1.873 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 76 4.872 -4.663 -3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.663 -3.063 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.404 -2.512 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.774 -5.895 -3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.043 -3.253 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.329 -7.634 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.599 -4.991 0.424 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.742 -7.182 -0.726 1.00 0.00 H new ATOM 1233 N VAL A 77 4.407 -3.763 -0.235 1.00 0.00 N ATOM 1234 CA VAL A 77 4.009 -4.322 1.087 1.00 0.00 C ATOM 1235 C VAL A 77 2.731 -5.139 0.901 1.00 0.00 C ATOM 1236 O VAL A 77 2.529 -6.163 1.515 1.00 0.00 O ATOM 1237 CB VAL A 77 3.725 -3.178 2.056 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.334 -3.754 3.415 1.00 0.00 C ATOM 1239 CG2 VAL A 77 4.970 -2.310 2.212 1.00 0.00 C ATOM 0 H VAL A 77 4.554 -2.754 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 77 4.809 -4.947 1.483 1.00 0.00 H new ATOM 0 HB VAL A 77 2.910 -2.568 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.130 -2.940 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.441 -4.370 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.151 -4.364 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.761 -1.495 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.789 -2.915 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.251 -1.899 1.242 1.00 0.00 H new ATOM 1249 N SER A 78 1.874 -4.684 0.040 1.00 0.00 N ATOM 1250 CA SER A 78 0.605 -5.404 -0.226 1.00 0.00 C ATOM 1251 C SER A 78 0.926 -6.748 -0.857 1.00 0.00 C ATOM 1252 O SER A 78 0.224 -7.722 -0.685 1.00 0.00 O ATOM 1253 CB SER A 78 -0.224 -4.586 -1.207 1.00 0.00 C ATOM 1254 OG SER A 78 -1.556 -5.079 -1.226 1.00 0.00 O ATOM 0 H SER A 78 2.001 -3.828 -0.501 1.00 0.00 H new ATOM 0 HA SER A 78 0.054 -5.550 0.703 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.218 -3.535 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.211 -4.644 -2.205 1.00 0.00 H new ATOM 0 HG SER A 78 -2.111 -4.502 -1.791 1.00 0.00 H new ATOM 1260 N MET A 79 1.992 -6.795 -1.595 1.00 0.00 N ATOM 1261 CA MET A 79 2.384 -8.064 -2.259 1.00 0.00 C ATOM 1262 C MET A 79 2.979 -9.014 -1.231 1.00 0.00 C ATOM 1263 O MET A 79 2.830 -10.217 -1.328 1.00 0.00 O ATOM 1264 CB MET A 79 3.420 -7.773 -3.346 1.00 0.00 C ATOM 1265 CG MET A 79 3.674 -9.029 -4.191 1.00 0.00 C ATOM 1266 SD MET A 79 5.331 -8.927 -4.918 1.00 0.00 S ATOM 1267 CE MET A 79 4.906 -9.539 -6.564 1.00 0.00 C ATOM 0 H MET A 79 2.614 -6.005 -1.769 1.00 0.00 H new ATOM 0 HA MET A 79 1.504 -8.523 -2.710 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.069 -6.962 -3.984 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.352 -7.439 -2.890 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.589 -9.922 -3.572 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.923 -9.112 -4.976 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.800 -9.558 -7.187 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.499 -10.547 -6.483 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.163 -8.882 -7.016 1.00 0.00 H new ATOM 1277 N VAL A 80 3.630 -8.492 -0.230 1.00 0.00 N ATOM 1278 CA VAL A 80 4.201 -9.378 0.812 1.00 0.00 C ATOM 1279 C VAL A 80 3.099 -9.596 1.831 1.00 0.00 C ATOM 1280 O VAL A 80 2.994 -10.642 2.439 1.00 0.00 O ATOM 1281 CB VAL A 80 5.466 -8.745 1.459 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.156 -7.814 0.461 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.114 -7.944 2.724 1.00 0.00 C ATOM 0 H VAL A 80 3.789 -7.494 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 80 4.530 -10.327 0.388 1.00 0.00 H new ATOM 0 HB VAL A 80 6.133 -9.561 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.040 -7.376 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.451 -8.381 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.469 -7.020 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.022 -7.517 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.422 -7.142 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.648 -8.605 3.455 1.00 0.00 H new ATOM 1293 N THR A 81 2.258 -8.612 2.012 1.00 0.00 N ATOM 1294 CA THR A 81 1.152 -8.779 2.979 1.00 0.00 C ATOM 1295 C THR A 81 0.132 -9.729 2.373 1.00 0.00 C ATOM 1296 O THR A 81 -0.479 -10.518 3.066 1.00 0.00 O ATOM 1297 CB THR A 81 0.478 -7.428 3.255 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.462 -6.459 3.573 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.508 -7.557 4.421 1.00 0.00 C ATOM 0 H THR A 81 2.294 -7.712 1.534 1.00 0.00 H new ATOM 0 HA THR A 81 1.541 -9.175 3.917 1.00 0.00 H new ATOM 0 HB THR A 81 -0.065 -7.117 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.933 -6.191 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.980 -6.592 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.273 -8.293 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.026 -7.878 5.315 1.00 0.00 H new ATOM 1307 N THR A 82 -0.082 -9.652 1.081 1.00 0.00 N ATOM 1308 CA THR A 82 -1.094 -10.547 0.449 1.00 0.00 C ATOM 1309 C THR A 82 -0.642 -12.005 0.528 1.00 0.00 C ATOM 1310 O THR A 82 -1.438 -12.890 0.771 1.00 0.00 O ATOM 1311 CB THR A 82 -1.273 -10.143 -1.018 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.000 -9.899 -1.592 1.00 0.00 O ATOM 1313 CG2 THR A 82 -2.133 -8.869 -1.111 1.00 0.00 C ATOM 0 H THR A 82 0.396 -9.014 0.445 1.00 0.00 H new ATOM 0 HA THR A 82 -2.040 -10.448 0.981 1.00 0.00 H new ATOM 0 HB THR A 82 -1.772 -10.948 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.223 -8.949 -1.502 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.256 -8.588 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.111 -9.057 -0.669 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.642 -8.058 -0.573 1.00 0.00 H new ATOM 1321 N ALA A 83 0.623 -12.279 0.336 1.00 0.00 N ATOM 1322 CA ALA A 83 1.084 -13.690 0.414 1.00 0.00 C ATOM 1323 C ALA A 83 0.869 -14.198 1.836 1.00 0.00 C ATOM 1324 O ALA A 83 0.451 -15.318 2.052 1.00 0.00 O ATOM 1325 CB ALA A 83 2.571 -13.766 0.057 1.00 0.00 C ATOM 0 H ALA A 83 1.348 -11.591 0.131 1.00 0.00 H new ATOM 0 HA ALA A 83 0.520 -14.305 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.907 -14.801 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.722 -13.392 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.145 -13.159 0.757 1.00 0.00 H new ATOM 1331 N CYS A 84 1.137 -13.376 2.813 1.00 0.00 N ATOM 1332 CA CYS A 84 0.931 -13.811 4.222 1.00 0.00 C ATOM 1333 C CYS A 84 -0.562 -14.046 4.449 1.00 0.00 C ATOM 1334 O CYS A 84 -0.961 -14.793 5.323 1.00 0.00 O ATOM 1335 CB CYS A 84 1.436 -12.725 5.175 1.00 0.00 C ATOM 1336 SG CYS A 84 3.174 -12.370 4.817 1.00 0.00 S ATOM 0 H CYS A 84 1.488 -12.426 2.697 1.00 0.00 H new ATOM 0 HA CYS A 84 1.483 -14.731 4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.838 -11.821 5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.326 -13.053 6.209 1.00 0.00 H new ATOM 0 HG CYS A 84 3.277 -11.863 3.624 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.392 -13.417 3.658 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.868 -13.597 3.801 1.00 0.00 C ATOM 1344 C HIS A 85 -3.331 -14.693 2.834 1.00 0.00 C ATOM 1345 O HIS A 85 -4.239 -15.446 3.124 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.567 -12.267 3.469 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.039 -12.492 3.221 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.731 -11.805 2.236 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.959 -13.324 3.812 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -7.008 -12.233 2.261 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.201 -13.159 3.205 1.00 0.00 N ATOM 0 H HIS A 85 -1.108 -12.781 2.913 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.119 -13.889 4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.434 -11.564 4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.108 -11.818 2.588 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.343 -11.102 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.750 -14.004 4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.781 -11.872 1.599 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.714 -14.786 1.687 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.121 -15.831 0.705 1.00 0.00 C ATOM 1361 C GLU A 86 -2.606 -17.194 1.167 1.00 0.00 C ATOM 1362 O GLU A 86 -3.335 -18.166 1.198 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.534 -15.502 -0.669 1.00 0.00 C ATOM 1364 CG GLU A 86 -3.045 -16.518 -1.693 1.00 0.00 C ATOM 1365 CD GLU A 86 -2.584 -16.114 -3.095 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -2.916 -15.017 -3.511 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -1.910 -16.910 -3.727 1.00 0.00 O ATOM 0 H GLU A 86 -1.947 -14.184 1.388 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.208 -15.858 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.819 -14.493 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.445 -15.526 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.672 -17.513 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.133 -16.568 -1.658 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.359 -17.273 1.527 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.801 -18.574 1.992 1.00 0.00 C ATOM 1376 C PHE A 87 -1.699 -19.141 3.091 1.00 0.00 C ATOM 1377 O PHE A 87 -2.032 -20.309 3.096 1.00 0.00 O ATOM 1378 CB PHE A 87 0.609 -18.353 2.543 1.00 0.00 C ATOM 1379 CG PHE A 87 1.128 -19.641 3.135 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.723 -20.602 2.308 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.018 -19.875 4.511 1.00 0.00 C ATOM 1382 CE1 PHE A 87 2.208 -21.796 2.857 1.00 0.00 C ATOM 1383 CE2 PHE A 87 1.501 -21.068 5.060 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.097 -22.028 4.233 1.00 0.00 C ATOM 0 H PHE A 87 -0.700 -16.495 1.520 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.757 -19.276 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.272 -18.013 1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.595 -17.571 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.808 -20.422 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.560 -19.134 5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.667 -22.537 2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.414 -21.248 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.471 -22.948 4.657 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.094 -18.318 4.022 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.972 -18.799 5.126 1.00 0.00 C ATOM 1396 C PHE A 88 -4.258 -19.399 4.545 1.00 0.00 C ATOM 1397 O PHE A 88 -5.016 -20.046 5.240 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.325 -17.618 6.033 1.00 0.00 C ATOM 1399 CG PHE A 88 -4.120 -18.105 7.222 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.461 -18.641 8.334 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.517 -18.016 7.211 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -4.200 -19.089 9.435 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -6.255 -18.464 8.313 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.597 -19.000 9.425 1.00 0.00 C ATOM 0 H PHE A 88 -1.846 -17.330 4.066 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.449 -19.564 5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.415 -17.123 6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.902 -16.880 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.383 -18.709 8.343 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.025 -17.602 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.692 -19.504 10.293 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.333 -18.396 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.166 -19.345 10.275 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.510 -19.188 3.274 1.00 0.00 N ATOM 1415 CA GLU A 89 -5.750 -19.743 2.638 1.00 0.00 C ATOM 1416 C GLU A 89 -5.387 -20.936 1.748 1.00 0.00 C ATOM 1417 O GLU A 89 -6.241 -21.698 1.341 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.413 -18.657 1.782 1.00 0.00 C ATOM 1419 CG GLU A 89 -7.019 -17.585 2.691 1.00 0.00 C ATOM 1420 CD GLU A 89 -7.469 -16.390 1.844 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -7.450 -16.511 0.630 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -7.827 -15.376 2.424 1.00 0.00 O ATOM 0 H GLU A 89 -3.908 -18.654 2.647 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.438 -20.069 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.679 -18.208 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.188 -19.097 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.867 -17.995 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.286 -17.264 3.431 1.00 0.00 H new ATOM 1429 N HIS A 90 -4.129 -21.108 1.443 1.00 0.00 N ATOM 1430 CA HIS A 90 -3.727 -22.258 0.581 1.00 0.00 C ATOM 1431 C HIS A 90 -4.185 -23.563 1.241 1.00 0.00 C ATOM 1432 O HIS A 90 -3.573 -24.049 2.170 1.00 0.00 O ATOM 1433 CB HIS A 90 -2.198 -22.272 0.419 1.00 0.00 C ATOM 1434 CG HIS A 90 -1.784 -21.284 -0.640 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -0.611 -21.430 -1.369 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -2.373 -20.134 -1.107 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -0.533 -20.395 -2.227 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -1.582 -19.578 -2.105 1.00 0.00 N ATOM 0 H HIS A 90 -3.366 -20.506 1.751 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.190 -22.160 -0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.721 -22.023 1.367 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -1.862 -23.272 0.146 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.308 -19.725 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.276 -20.245 -2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.764 -18.725 -2.633 1.00 0.00 H new ATOM 1447 N GLU A 91 -5.256 -24.135 0.762 1.00 0.00 N ATOM 1448 CA GLU A 91 -5.751 -25.410 1.356 1.00 0.00 C ATOM 1449 C GLU A 91 -4.798 -26.547 0.982 1.00 0.00 C ATOM 1450 O GLU A 91 -5.207 -27.693 1.080 1.00 0.00 O ATOM 1451 CB GLU A 91 -7.148 -25.718 0.812 1.00 0.00 C ATOM 1452 CG GLU A 91 -8.040 -24.484 0.962 1.00 0.00 C ATOM 1453 CD GLU A 91 -9.503 -24.883 0.764 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -9.977 -25.717 1.519 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -10.126 -24.347 -0.139 1.00 0.00 O ATOM 1456 OXT GLU A 91 -3.677 -26.254 0.603 1.00 0.00 O ATOM 0 H GLU A 91 -5.810 -23.775 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.797 -25.313 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.085 -26.009 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.582 -26.560 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.903 -24.042 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.757 -23.727 0.231 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 9.854 -0.941 16.541 1.00 0.00 N ATOM 1465 CA MET B 0 10.416 -2.232 16.056 1.00 0.00 C ATOM 1466 C MET B 0 10.027 -2.434 14.588 1.00 0.00 C ATOM 1467 O MET B 0 10.319 -1.609 13.744 1.00 0.00 O ATOM 1468 CB MET B 0 9.861 -3.379 16.909 1.00 0.00 C ATOM 1469 CG MET B 0 10.717 -4.633 16.706 1.00 0.00 C ATOM 1470 SD MET B 0 12.320 -4.404 17.514 1.00 0.00 S ATOM 1471 CE MET B 0 11.858 -5.066 19.135 1.00 0.00 C ATOM 0 H1 MET B 0 10.116 -0.801 17.538 1.00 0.00 H new ATOM 0 H2 MET B 0 10.235 -0.160 15.969 1.00 0.00 H new ATOM 0 H3 MET B 0 8.818 -0.959 16.455 1.00 0.00 H new ATOM 0 HA MET B 0 11.503 -2.218 16.139 1.00 0.00 H new ATOM 0 HB2 MET B 0 9.859 -3.095 17.961 1.00 0.00 H new ATOM 0 HB3 MET B 0 8.827 -3.584 16.632 1.00 0.00 H new ATOM 0 HG2 MET B 0 10.210 -5.504 17.121 1.00 0.00 H new ATOM 0 HG3 MET B 0 10.858 -4.822 15.642 1.00 0.00 H new ATOM 0 HE1 MET B 0 12.716 -5.020 19.805 1.00 0.00 H new ATOM 0 HE2 MET B 0 11.041 -4.475 19.550 1.00 0.00 H new ATOM 0 HE3 MET B 0 11.538 -6.102 19.027 1.00 0.00 H new ATOM 1483 N SER B 1 9.368 -3.517 14.272 1.00 0.00 N ATOM 1484 CA SER B 1 8.966 -3.753 12.857 1.00 0.00 C ATOM 1485 C SER B 1 7.728 -2.912 12.532 1.00 0.00 C ATOM 1486 O SER B 1 6.615 -3.397 12.519 1.00 0.00 O ATOM 1487 CB SER B 1 8.649 -5.231 12.652 1.00 0.00 C ATOM 1488 OG SER B 1 7.830 -5.688 13.718 1.00 0.00 O ATOM 0 H SER B 1 9.092 -4.245 14.931 1.00 0.00 H new ATOM 0 HA SER B 1 9.784 -3.467 12.196 1.00 0.00 H new ATOM 0 HB2 SER B 1 8.140 -5.377 11.699 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.571 -5.810 12.613 1.00 0.00 H new ATOM 0 HG SER B 1 7.623 -6.637 13.588 1.00 0.00 H new ATOM 1494 N GLU B 2 7.928 -1.654 12.270 1.00 0.00 N ATOM 1495 CA GLU B 2 6.777 -0.764 11.945 1.00 0.00 C ATOM 1496 C GLU B 2 6.001 -1.349 10.764 1.00 0.00 C ATOM 1497 O GLU B 2 4.798 -1.211 10.669 1.00 0.00 O ATOM 1498 CB GLU B 2 7.293 0.628 11.574 1.00 0.00 C ATOM 1499 CG GLU B 2 7.704 1.375 12.842 1.00 0.00 C ATOM 1500 CD GLU B 2 8.207 2.773 12.472 1.00 0.00 C ATOM 1501 OE1 GLU B 2 9.314 2.866 11.968 1.00 0.00 O ATOM 1502 OE2 GLU B 2 7.478 3.724 12.699 1.00 0.00 O ATOM 0 H GLU B 2 8.841 -1.200 12.266 1.00 0.00 H new ATOM 0 HA GLU B 2 6.122 -0.688 12.813 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.143 0.544 10.897 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.519 1.185 11.046 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.856 1.451 13.523 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.485 0.823 13.365 1.00 0.00 H new ATOM 1509 N LEU B 3 6.678 -1.995 9.860 1.00 0.00 N ATOM 1510 CA LEU B 3 5.978 -2.578 8.679 1.00 0.00 C ATOM 1511 C LEU B 3 5.157 -3.806 9.108 1.00 0.00 C ATOM 1512 O LEU B 3 4.211 -4.182 8.449 1.00 0.00 O ATOM 1513 CB LEU B 3 7.029 -2.956 7.604 1.00 0.00 C ATOM 1514 CG LEU B 3 7.106 -1.847 6.527 1.00 0.00 C ATOM 1515 CD1 LEU B 3 8.452 -1.876 5.785 1.00 0.00 C ATOM 1516 CD2 LEU B 3 5.963 -2.028 5.516 1.00 0.00 C ATOM 0 H LEU B 3 7.686 -2.146 9.885 1.00 0.00 H new ATOM 0 HA LEU B 3 5.289 -1.847 8.256 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.005 -3.091 8.070 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.763 -3.906 7.141 1.00 0.00 H new ATOM 0 HG LEU B 3 7.013 -0.884 7.029 1.00 0.00 H new ATOM 0 HD11 LEU B 3 8.472 -1.084 5.036 1.00 0.00 H new ATOM 0 HD12 LEU B 3 9.263 -1.723 6.497 1.00 0.00 H new ATOM 0 HD13 LEU B 3 8.577 -2.842 5.295 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.020 -1.246 4.759 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.052 -3.003 5.037 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.006 -1.963 6.034 1.00 0.00 H new ATOM 1528 N GLU B 4 5.498 -4.429 10.204 1.00 0.00 N ATOM 1529 CA GLU B 4 4.718 -5.619 10.652 1.00 0.00 C ATOM 1530 C GLU B 4 3.398 -5.148 11.268 1.00 0.00 C ATOM 1531 O GLU B 4 2.377 -5.796 11.144 1.00 0.00 O ATOM 1532 CB GLU B 4 5.530 -6.404 11.689 1.00 0.00 C ATOM 1533 CG GLU B 4 4.692 -7.551 12.271 1.00 0.00 C ATOM 1534 CD GLU B 4 4.180 -8.442 11.138 1.00 0.00 C ATOM 1535 OE1 GLU B 4 4.890 -8.584 10.156 1.00 0.00 O ATOM 1536 OE2 GLU B 4 3.089 -8.970 11.272 1.00 0.00 O ATOM 0 H GLU B 4 6.279 -4.167 10.806 1.00 0.00 H new ATOM 0 HA GLU B 4 4.510 -6.268 9.801 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.433 -6.803 11.226 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.850 -5.737 12.489 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.294 -8.138 12.965 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.852 -7.149 12.838 1.00 0.00 H new ATOM 1543 N LYS B 5 3.408 -4.021 11.926 1.00 0.00 N ATOM 1544 CA LYS B 5 2.152 -3.506 12.541 1.00 0.00 C ATOM 1545 C LYS B 5 1.200 -3.083 11.423 1.00 0.00 C ATOM 1546 O LYS B 5 0.030 -3.410 11.429 1.00 0.00 O ATOM 1547 CB LYS B 5 2.486 -2.298 13.438 1.00 0.00 C ATOM 1548 CG LYS B 5 2.856 -2.783 14.854 1.00 0.00 C ATOM 1549 CD LYS B 5 3.768 -1.754 15.559 1.00 0.00 C ATOM 1550 CE LYS B 5 5.242 -2.033 15.223 1.00 0.00 C ATOM 1551 NZ LYS B 5 6.030 -0.778 15.378 1.00 0.00 N ATOM 0 H LYS B 5 4.231 -3.435 12.064 1.00 0.00 H new ATOM 0 HA LYS B 5 1.680 -4.278 13.148 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.314 -1.734 13.009 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.632 -1.623 13.487 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.950 -2.936 15.440 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.363 -3.746 14.794 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.501 -0.745 15.245 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.618 -1.803 16.637 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.636 -2.807 15.881 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.330 -2.407 14.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 7.010 -0.943 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.606 -0.028 14.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 6.025 -0.486 16.376 1.00 0.00 H new ATOM 1565 N ALA B 6 1.701 -2.366 10.460 1.00 0.00 N ATOM 1566 CA ALA B 6 0.841 -1.926 9.332 1.00 0.00 C ATOM 1567 C ALA B 6 0.220 -3.160 8.677 1.00 0.00 C ATOM 1568 O ALA B 6 -0.982 -3.270 8.540 1.00 0.00 O ATOM 1569 CB ALA B 6 1.705 -1.155 8.321 1.00 0.00 C ATOM 0 H ALA B 6 2.674 -2.065 10.406 1.00 0.00 H new ATOM 0 HA ALA B 6 0.043 -1.273 9.686 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.084 -0.827 7.488 1.00 0.00 H new ATOM 0 HB2 ALA B 6 2.147 -0.286 8.808 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.497 -1.805 7.949 1.00 0.00 H new ATOM 1575 N MET B 7 1.034 -4.091 8.280 1.00 0.00 N ATOM 1576 CA MET B 7 0.503 -5.323 7.637 1.00 0.00 C ATOM 1577 C MET B 7 -0.627 -5.900 8.489 1.00 0.00 C ATOM 1578 O MET B 7 -1.629 -6.358 7.980 1.00 0.00 O ATOM 1579 CB MET B 7 1.623 -6.362 7.529 1.00 0.00 C ATOM 1580 CG MET B 7 2.746 -5.839 6.618 1.00 0.00 C ATOM 1581 SD MET B 7 4.325 -6.543 7.143 1.00 0.00 S ATOM 1582 CE MET B 7 5.280 -6.016 5.705 1.00 0.00 C ATOM 0 H MET B 7 2.049 -4.054 8.373 1.00 0.00 H new ATOM 0 HA MET B 7 0.126 -5.077 6.644 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.021 -6.583 8.519 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.226 -7.295 7.130 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.543 -6.108 5.581 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.788 -4.751 6.663 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.191 -6.611 5.635 1.00 0.00 H new ATOM 0 HE2 MET B 7 4.685 -6.156 4.802 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.541 -4.963 5.808 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.473 -5.890 9.783 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.544 -6.450 10.655 1.00 0.00 C ATOM 1594 C VAL B 8 -2.763 -5.526 10.624 1.00 0.00 C ATOM 1595 O VAL B 8 -3.879 -5.960 10.421 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.014 -6.582 12.090 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.172 -6.830 13.064 1.00 0.00 C ATOM 1598 CG2 VAL B 8 -0.032 -7.756 12.155 1.00 0.00 C ATOM 0 H VAL B 8 0.342 -5.521 10.273 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.838 -7.435 10.292 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.510 -5.658 12.372 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.782 -6.922 14.078 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.871 -5.995 13.018 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.688 -7.750 12.789 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.349 -7.856 13.171 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.543 -8.675 11.867 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.798 -7.574 11.473 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.558 -4.260 10.826 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.707 -3.318 10.806 1.00 0.00 C ATOM 1610 C ALA B 9 -4.382 -3.376 9.432 1.00 0.00 C ATOM 1611 O ALA B 9 -5.569 -3.159 9.304 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.205 -1.898 11.086 1.00 0.00 C ATOM 0 H ALA B 9 -1.648 -3.836 11.004 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.430 -3.597 11.573 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.046 -1.205 11.072 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.726 -1.868 12.065 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.484 -1.609 10.321 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.633 -3.659 8.404 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.224 -3.720 7.038 1.00 0.00 C ATOM 1620 C LEU B 10 -4.940 -5.064 6.823 1.00 0.00 C ATOM 1621 O LEU B 10 -6.095 -5.104 6.456 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.090 -3.550 6.011 1.00 0.00 C ATOM 1623 CG LEU B 10 -2.759 -2.035 5.808 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.237 -1.799 5.827 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -3.337 -1.550 4.467 1.00 0.00 C ATOM 0 H LEU B 10 -2.632 -3.852 8.451 1.00 0.00 H new ATOM 0 HA LEU B 10 -4.959 -2.925 6.917 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.201 -4.080 6.351 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.383 -3.995 5.060 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.209 -1.473 6.627 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.031 -0.738 5.684 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.831 -2.121 6.786 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -0.770 -2.370 5.025 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.104 -0.494 4.331 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -2.899 -2.127 3.652 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.419 -1.685 4.467 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.260 -6.157 7.043 1.00 0.00 N ATOM 1638 CA ILE B 11 -4.887 -7.499 6.840 1.00 0.00 C ATOM 1639 C ILE B 11 -6.275 -7.515 7.480 1.00 0.00 C ATOM 1640 O ILE B 11 -7.183 -8.164 6.997 1.00 0.00 O ATOM 1641 CB ILE B 11 -3.999 -8.574 7.485 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.740 -8.769 6.628 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.763 -9.905 7.580 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.660 -9.478 7.450 1.00 0.00 C ATOM 0 H ILE B 11 -3.290 -6.180 7.357 1.00 0.00 H new ATOM 0 HA ILE B 11 -4.985 -7.704 5.774 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.720 -8.253 8.489 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.979 -9.356 5.741 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.371 -7.804 6.281 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.124 -10.659 8.039 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.657 -9.769 8.188 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.050 -10.232 6.581 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.768 -9.615 6.838 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.412 -8.874 8.323 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.030 -10.451 7.775 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.450 -6.808 8.558 1.00 0.00 N ATOM 1657 CA ASP B 12 -7.784 -6.789 9.216 1.00 0.00 C ATOM 1658 C ASP B 12 -8.763 -5.993 8.355 1.00 0.00 C ATOM 1659 O ASP B 12 -9.843 -6.455 8.043 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.665 -6.149 10.600 1.00 0.00 C ATOM 1661 CG ASP B 12 -6.867 -7.075 11.520 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -5.889 -7.638 11.057 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -7.248 -7.206 12.672 1.00 0.00 O ATOM 0 H ASP B 12 -5.731 -6.244 9.011 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.151 -7.809 9.327 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.171 -5.180 10.524 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.656 -5.970 11.017 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.397 -4.807 7.959 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.310 -3.996 7.108 1.00 0.00 C ATOM 1670 C VAL B 13 -9.291 -4.545 5.678 1.00 0.00 C ATOM 1671 O VAL B 13 -10.235 -4.382 4.933 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.874 -2.522 7.112 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.981 -1.646 6.517 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.603 -2.073 8.546 1.00 0.00 C ATOM 0 H VAL B 13 -7.507 -4.365 8.187 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.322 -4.058 7.508 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.969 -2.420 6.513 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.663 -0.603 6.524 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.180 -1.958 5.492 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.888 -1.753 7.111 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.294 -1.028 8.548 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.510 -2.184 9.140 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.811 -2.686 8.976 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.217 -5.179 5.277 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.163 -5.710 3.877 1.00 0.00 C ATOM 1686 C PHE B 14 -9.147 -6.883 3.705 1.00 0.00 C ATOM 1687 O PHE B 14 -9.954 -6.890 2.799 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.722 -6.169 3.545 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.019 -5.143 2.676 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -6.119 -3.780 2.980 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.272 -5.560 1.567 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -5.471 -2.835 2.176 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -4.625 -4.615 0.763 1.00 0.00 C ATOM 1694 CZ PHE B 14 -4.725 -3.252 1.066 1.00 0.00 C ATOM 0 H PHE B 14 -7.388 -5.351 5.846 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.452 -4.915 3.190 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.161 -6.317 4.468 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.750 -7.130 3.031 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -6.696 -3.458 3.834 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.195 -6.611 1.332 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -5.546 -1.784 2.412 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -4.048 -4.937 -0.091 1.00 0.00 H new ATOM 0 HZ PHE B 14 -4.227 -2.522 0.444 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.073 -7.883 4.539 1.00 0.00 N ATOM 1705 CA HIS B 15 -9.992 -9.050 4.375 1.00 0.00 C ATOM 1706 C HIS B 15 -11.414 -8.689 4.822 1.00 0.00 C ATOM 1707 O HIS B 15 -12.373 -9.276 4.371 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.465 -10.233 5.202 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.017 -11.538 4.671 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.468 -12.542 5.516 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.180 -12.027 3.393 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.873 -13.569 4.747 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.718 -13.308 3.446 1.00 0.00 N ATOM 0 H HIS B 15 -8.422 -7.945 5.322 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.026 -9.326 3.321 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.376 -10.251 5.168 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.749 -10.109 6.247 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -10.489 -12.508 6.535 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.928 -11.496 2.487 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.275 -14.493 5.135 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.571 -7.744 5.706 1.00 0.00 N ATOM 1722 CA GLN B 16 -12.948 -7.384 6.160 1.00 0.00 C ATOM 1723 C GLN B 16 -13.726 -6.728 5.014 1.00 0.00 C ATOM 1724 O GLN B 16 -14.897 -6.992 4.806 1.00 0.00 O ATOM 1725 CB GLN B 16 -12.858 -6.413 7.345 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.520 -7.192 8.616 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.106 -6.222 9.724 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -11.154 -6.469 10.438 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -12.784 -5.122 9.902 1.00 0.00 N ATOM 0 H GLN B 16 -10.815 -7.208 6.132 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.470 -8.290 6.469 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.095 -5.659 7.154 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.804 -5.885 7.469 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.383 -7.776 8.935 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.713 -7.897 8.417 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -13.583 -4.913 9.304 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.515 -4.471 10.639 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.084 -5.889 4.254 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.788 -5.224 3.115 1.00 0.00 C ATOM 1740 C TYR B 17 -13.622 -6.077 1.861 1.00 0.00 C ATOM 1741 O TYR B 17 -14.591 -6.469 1.241 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.202 -3.813 2.904 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.964 -2.819 3.757 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -15.136 -2.236 3.264 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -13.508 -2.497 5.042 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -15.855 -1.331 4.052 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -14.226 -1.588 5.830 1.00 0.00 C ATOM 1748 CZ TYR B 17 -15.399 -1.006 5.335 1.00 0.00 C ATOM 1749 OH TYR B 17 -16.110 -0.115 6.111 1.00 0.00 O ATOM 0 H TYR B 17 -12.103 -5.632 4.368 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.851 -5.125 3.333 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.145 -3.803 3.170 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.269 -3.533 1.853 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -15.486 -2.485 2.273 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -12.605 -2.949 5.424 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -16.761 -0.883 3.671 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -13.874 -1.336 6.820 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.771 -0.602 6.646 1.00 0.00 H new ATOM 1759 N SER B 18 -12.418 -6.392 1.488 1.00 0.00 N ATOM 1760 CA SER B 18 -12.236 -7.243 0.286 1.00 0.00 C ATOM 1761 C SER B 18 -13.021 -8.540 0.502 1.00 0.00 C ATOM 1762 O SER B 18 -13.384 -9.228 -0.432 1.00 0.00 O ATOM 1763 CB SER B 18 -10.744 -7.541 0.085 1.00 0.00 C ATOM 1764 OG SER B 18 -10.482 -7.689 -1.303 1.00 0.00 O ATOM 0 H SER B 18 -11.560 -6.101 1.957 1.00 0.00 H new ATOM 0 HA SER B 18 -12.602 -6.734 -0.606 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.140 -6.733 0.497 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.467 -8.450 0.619 1.00 0.00 H new ATOM 0 HG SER B 18 -9.514 -7.719 -1.452 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.288 -8.870 1.741 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.054 -10.114 2.050 1.00 0.00 C ATOM 1772 C GLY B 19 -15.533 -9.775 2.255 1.00 0.00 C ATOM 1773 O GLY B 19 -16.351 -10.651 2.454 1.00 0.00 O ATOM 0 H GLY B 19 -13.006 -8.326 2.557 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -13.945 -10.831 1.236 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.652 -10.586 2.946 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.898 -8.519 2.182 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.336 -8.161 2.346 1.00 0.00 C ATOM 1779 C ARG B 20 -18.132 -8.830 1.228 1.00 0.00 C ATOM 1780 O ARG B 20 -19.187 -9.392 1.448 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.497 -6.635 2.245 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.974 -6.237 2.402 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.147 -4.756 2.071 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.478 -4.296 2.570 1.00 0.00 N ATOM 1785 CZ ARG B 20 -21.122 -3.329 1.968 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -20.600 -2.738 0.927 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.288 -2.951 2.415 1.00 0.00 N ATOM 0 H ARG B 20 -15.267 -7.734 2.017 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.698 -8.497 3.318 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.899 -6.149 3.016 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.121 -6.287 1.283 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.596 -6.842 1.742 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.307 -6.433 3.421 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.350 -4.172 2.532 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.075 -4.600 0.995 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.890 -4.741 3.390 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -19.686 -3.030 0.580 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -21.106 -1.985 0.461 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.694 -3.409 3.231 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -22.793 -2.198 1.949 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.632 -8.771 0.028 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.355 -9.400 -1.113 1.00 0.00 C ATOM 1803 C GLU B 21 -17.386 -9.616 -2.279 1.00 0.00 C ATOM 1804 O GLU B 21 -16.275 -9.126 -2.275 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.497 -8.479 -1.551 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.007 -7.029 -1.563 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.087 -6.127 -2.163 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.193 -6.604 -2.348 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -19.787 -4.973 -2.427 1.00 0.00 O ATOM 0 H GLU B 21 -16.753 -8.314 -0.214 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.761 -10.364 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.848 -8.764 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.343 -8.583 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.771 -6.706 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.088 -6.950 -2.145 1.00 0.00 H new ATOM 1816 N GLY B 22 -17.805 -10.344 -3.285 1.00 0.00 N ATOM 1817 CA GLY B 22 -16.922 -10.597 -4.467 1.00 0.00 C ATOM 1818 C GLY B 22 -16.329 -12.001 -4.383 1.00 0.00 C ATOM 1819 O GLY B 22 -16.746 -12.819 -3.586 1.00 0.00 O ATOM 0 H GLY B 22 -18.727 -10.777 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -17.494 -10.489 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.123 -9.857 -4.500 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.356 -12.283 -5.206 1.00 0.00 N ATOM 1824 CA ASP B 23 -14.724 -13.630 -5.187 1.00 0.00 C ATOM 1825 C ASP B 23 -14.358 -13.996 -3.750 1.00 0.00 C ATOM 1826 O ASP B 23 -14.801 -14.994 -3.219 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.457 -13.603 -6.044 1.00 0.00 C ATOM 1828 CG ASP B 23 -12.752 -14.957 -5.959 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -13.348 -15.938 -6.371 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -11.631 -14.989 -5.482 1.00 0.00 O ATOM 0 H ASP B 23 -14.971 -11.635 -5.893 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.420 -14.369 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.711 -13.378 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.790 -12.812 -5.701 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.552 -13.190 -3.115 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.150 -13.479 -1.712 1.00 0.00 C ATOM 1837 C LYS B 24 -12.213 -12.365 -1.232 1.00 0.00 C ATOM 1838 O LYS B 24 -12.319 -11.894 -0.116 1.00 0.00 O ATOM 1839 CB LYS B 24 -12.433 -14.856 -1.657 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.220 -15.855 -0.794 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.000 -15.533 0.692 1.00 0.00 C ATOM 1842 CE LYS B 24 -14.014 -16.302 1.548 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.642 -17.746 1.589 1.00 0.00 N ATOM 0 H LYS B 24 -13.153 -12.339 -3.511 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.025 -13.517 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -12.321 -15.252 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.429 -14.731 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.282 -15.803 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -12.894 -16.873 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.985 -15.802 0.985 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -13.107 -14.461 0.861 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -14.036 -15.893 2.558 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -15.016 -16.186 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.331 -18.266 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -13.642 -18.132 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -12.693 -17.848 2.002 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.285 -11.950 -2.065 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.324 -10.876 -1.659 1.00 0.00 C ATOM 1859 C HIS B 25 -10.201 -9.821 -2.765 1.00 0.00 C ATOM 1860 O HIS B 25 -9.123 -9.557 -3.260 1.00 0.00 O ATOM 1861 CB HIS B 25 -8.948 -11.505 -1.387 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.131 -12.866 -0.769 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.603 -13.039 0.526 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -8.911 -14.129 -1.260 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.653 -14.362 0.766 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -9.243 -15.068 -0.288 1.00 0.00 N ATOM 0 H HIS B 25 -11.153 -12.311 -3.010 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.693 -10.390 -0.756 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.385 -11.589 -2.316 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.370 -10.866 -0.720 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.538 -14.358 -2.247 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.984 -14.798 1.697 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.185 -16.083 -0.366 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.292 -9.199 -3.143 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.253 -8.140 -4.199 1.00 0.00 C ATOM 1876 C LYS B 26 -12.024 -6.932 -3.671 1.00 0.00 C ATOM 1877 O LYS B 26 -12.998 -7.081 -2.961 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.930 -8.672 -5.468 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.671 -7.724 -6.654 1.00 0.00 C ATOM 1880 CD LYS B 26 -10.321 -8.051 -7.324 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.493 -9.188 -8.337 1.00 0.00 C ATOM 1882 NZ LYS B 26 -9.197 -9.432 -9.031 1.00 0.00 N ATOM 0 H LYS B 26 -12.219 -9.383 -2.759 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.226 -7.861 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.550 -9.667 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.003 -8.771 -5.301 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.477 -7.815 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.671 -6.691 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.931 -7.165 -7.824 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.591 -8.337 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.823 -10.095 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.264 -8.930 -9.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.312 -10.203 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.900 -8.567 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -8.473 -9.696 -8.332 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.588 -5.735 -3.982 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.299 -4.525 -3.454 1.00 0.00 C ATOM 1898 C LEU B 27 -13.328 -4.011 -4.480 1.00 0.00 C ATOM 1899 O LEU B 27 -13.029 -3.804 -5.638 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.255 -3.421 -3.144 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.371 -2.931 -1.680 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.687 -3.926 -0.734 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -10.710 -1.559 -1.548 1.00 0.00 C ATOM 0 H LEU B 27 -10.779 -5.543 -4.573 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.834 -4.791 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.251 -3.807 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.399 -2.581 -3.823 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.425 -2.856 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.775 -3.571 0.293 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.166 -4.901 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.633 -4.014 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.791 -1.214 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -9.658 -1.634 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.209 -0.850 -2.209 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.535 -3.785 -4.028 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.615 -3.258 -4.922 1.00 0.00 C ATOM 1917 C LYS B 28 -15.905 -1.799 -4.560 1.00 0.00 C ATOM 1918 O LYS B 28 -15.695 -1.383 -3.440 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.888 -4.068 -4.708 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.678 -5.499 -5.195 1.00 0.00 C ATOM 1921 CD LYS B 28 -18.034 -6.202 -5.269 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.834 -7.714 -5.369 1.00 0.00 C ATOM 1923 NZ LYS B 28 -19.069 -8.343 -5.916 1.00 0.00 N ATOM 0 H LYS B 28 -14.824 -3.945 -3.063 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.291 -3.332 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.156 -4.069 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.717 -3.609 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.201 -5.497 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.013 -6.034 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.626 -5.963 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.592 -5.843 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.983 -7.937 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.607 -8.127 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -19.257 -9.234 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -19.874 -7.697 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -18.940 -8.538 -6.929 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.394 -1.016 -5.490 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.702 0.415 -5.178 1.00 0.00 C ATOM 1939 C LYS B 29 -17.449 0.493 -3.839 1.00 0.00 C ATOM 1940 O LYS B 29 -17.121 1.285 -2.979 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.573 1.006 -6.295 1.00 0.00 C ATOM 1942 CG LYS B 29 -18.002 2.435 -5.925 1.00 0.00 C ATOM 1943 CD LYS B 29 -18.381 3.214 -7.194 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.390 2.411 -8.013 1.00 0.00 C ATOM 1945 NZ LYS B 29 -20.466 1.908 -7.115 1.00 0.00 N ATOM 0 H LYS B 29 -16.593 -1.304 -6.448 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.775 0.984 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.019 1.015 -7.234 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.453 0.382 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.850 2.403 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.191 2.944 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.805 4.181 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.490 3.411 -7.790 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.818 3.035 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.893 1.576 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -21.358 1.843 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.207 0.967 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -20.585 2.563 -6.316 1.00 0.00 H new ATOM 1959 N SER B 30 -18.442 -0.337 -3.657 1.00 0.00 N ATOM 1960 CA SER B 30 -19.203 -0.326 -2.371 1.00 0.00 C ATOM 1961 C SER B 30 -18.220 -0.359 -1.195 1.00 0.00 C ATOM 1962 O SER B 30 -18.586 -0.136 -0.057 1.00 0.00 O ATOM 1963 CB SER B 30 -20.110 -1.558 -2.301 1.00 0.00 C ATOM 1964 OG SER B 30 -20.813 -1.696 -3.529 1.00 0.00 O ATOM 0 H SER B 30 -18.760 -1.022 -4.342 1.00 0.00 H new ATOM 0 HA SER B 30 -19.809 0.579 -2.319 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.515 -2.451 -2.107 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.814 -1.459 -1.475 1.00 0.00 H new ATOM 0 HG SER B 30 -21.393 -2.485 -3.487 1.00 0.00 H new ATOM 1970 N GLU B 31 -16.968 -0.617 -1.469 1.00 0.00 N ATOM 1971 CA GLU B 31 -15.944 -0.656 -0.380 1.00 0.00 C ATOM 1972 C GLU B 31 -15.219 0.683 -0.321 1.00 0.00 C ATOM 1973 O GLU B 31 -14.916 1.172 0.739 1.00 0.00 O ATOM 1974 CB GLU B 31 -14.960 -1.796 -0.646 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.756 -3.089 -0.834 1.00 0.00 C ATOM 1976 CD GLU B 31 -14.803 -4.271 -1.002 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -13.833 -4.335 -0.268 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.061 -5.095 -1.866 1.00 0.00 O ATOM 0 H GLU B 31 -16.608 -0.804 -2.405 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.427 -0.833 0.581 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.366 -1.584 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.263 -1.897 0.186 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.405 -3.254 0.026 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.401 -3.004 -1.709 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.966 1.300 -1.436 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.288 2.630 -1.396 1.00 0.00 C ATOM 1987 C LEU B 32 -15.202 3.613 -0.659 1.00 0.00 C ATOM 1988 O LEU B 32 -14.837 4.179 0.352 1.00 0.00 O ATOM 1989 CB LEU B 32 -14.032 3.130 -2.841 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.581 2.866 -3.312 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.651 3.981 -2.809 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.078 1.496 -2.820 1.00 0.00 C ATOM 0 H LEU B 32 -15.194 0.950 -2.367 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.331 2.550 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.727 2.637 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.239 4.199 -2.894 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.575 2.858 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.633 3.785 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.986 4.940 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.673 4.010 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.056 1.338 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.100 1.470 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.721 0.709 -3.215 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.382 3.820 -1.165 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.323 4.761 -0.517 1.00 0.00 C ATOM 2006 C LYS B 33 -17.560 4.345 0.943 1.00 0.00 C ATOM 2007 O LYS B 33 -17.701 5.176 1.818 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.632 4.716 -1.305 1.00 0.00 C ATOM 2009 CG LYS B 33 -19.427 6.014 -1.114 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.819 5.850 -1.749 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.794 5.237 -0.735 1.00 0.00 C ATOM 2012 NZ LYS B 33 -23.133 5.074 -1.369 1.00 0.00 N ATOM 0 H LYS B 33 -16.736 3.371 -2.010 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.918 5.773 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.420 4.567 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -19.230 3.866 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.523 6.244 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.900 6.849 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -21.191 6.819 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.752 5.213 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -21.421 4.271 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.871 5.877 0.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.794 4.659 -0.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -23.488 6.003 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -23.052 4.447 -2.195 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.616 3.067 1.210 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.860 2.613 2.617 1.00 0.00 C ATOM 2028 C GLU B 34 -16.551 2.622 3.409 1.00 0.00 C ATOM 2029 O GLU B 34 -16.524 2.944 4.581 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.442 1.198 2.606 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.838 1.226 1.978 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.402 -0.194 1.914 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -19.856 -1.057 2.582 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -21.372 -0.393 1.200 1.00 0.00 O ATOM 0 H GLU B 34 -17.505 2.321 0.523 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.566 3.295 3.091 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -17.791 0.530 2.042 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.496 0.808 3.622 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.499 1.864 2.565 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.789 1.654 0.977 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.468 2.270 2.781 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.157 2.254 3.493 1.00 0.00 C ATOM 2043 C LEU B 35 -13.703 3.693 3.745 1.00 0.00 C ATOM 2044 O LEU B 35 -13.004 3.984 4.696 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.119 1.536 2.620 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.755 1.495 3.324 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.852 0.687 4.628 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.737 0.837 2.388 1.00 0.00 C ATOM 0 H LEU B 35 -15.431 1.991 1.801 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.259 1.732 4.444 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.455 0.521 2.407 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.025 2.048 1.662 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.441 2.510 3.566 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.878 0.666 5.116 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.581 1.153 5.291 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.166 -0.332 4.402 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.763 0.802 2.877 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.062 -0.176 2.152 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.661 1.417 1.468 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.082 4.584 2.880 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.670 6.007 3.022 1.00 0.00 C ATOM 2062 C ILE B 36 -14.523 6.708 4.093 1.00 0.00 C ATOM 2063 O ILE B 36 -14.032 7.508 4.864 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.855 6.688 1.652 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.734 6.225 0.709 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.812 8.214 1.791 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -13.064 6.633 -0.732 1.00 0.00 C ATOM 0 H ILE B 36 -14.668 4.387 2.069 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.629 6.071 3.337 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.827 6.409 1.247 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.785 6.667 1.013 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.617 5.143 0.772 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.945 8.672 0.811 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.611 8.541 2.456 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.849 8.515 2.205 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.265 6.302 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -14.003 6.170 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.158 7.717 -0.791 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.798 6.441 4.121 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.691 7.120 5.112 1.00 0.00 C ATOM 2081 C ASN B 37 -16.641 6.445 6.494 1.00 0.00 C ATOM 2082 O ASN B 37 -16.921 7.071 7.495 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.127 7.079 4.586 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.009 8.005 5.427 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -20.174 8.186 5.134 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -18.499 8.603 6.469 1.00 0.00 N ATOM 0 H ASN B 37 -16.266 5.780 3.500 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.345 8.147 5.232 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.151 7.388 3.541 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.511 6.060 4.626 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -19.078 9.222 7.036 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -17.521 8.452 6.716 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.342 5.173 6.565 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.342 4.486 7.905 1.00 0.00 C ATOM 2095 C ASN B 38 -14.961 4.553 8.583 1.00 0.00 C ATOM 2096 O ASN B 38 -14.868 4.786 9.773 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.780 3.016 7.726 1.00 0.00 C ATOM 2098 CG ASN B 38 -15.574 2.116 7.436 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -14.760 2.426 6.591 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -15.419 1.016 8.121 1.00 0.00 N ATOM 0 H ASN B 38 -16.100 4.582 5.769 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.046 5.005 8.555 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.287 2.671 8.627 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -17.498 2.943 6.909 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -14.613 0.416 7.946 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -16.104 0.757 8.831 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.897 4.329 7.855 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.532 4.355 8.480 1.00 0.00 C ATOM 2109 C GLU B 39 -11.820 5.669 8.157 1.00 0.00 C ATOM 2110 O GLU B 39 -11.459 6.424 9.039 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.709 3.188 7.922 1.00 0.00 C ATOM 2112 CG GLU B 39 -12.152 1.877 8.583 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.547 1.775 9.984 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -10.331 1.728 10.080 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -12.308 1.745 10.936 1.00 0.00 O ATOM 0 H GLU B 39 -13.910 4.129 6.855 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.634 4.267 9.562 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.839 3.123 6.842 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.648 3.358 8.106 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.240 1.838 8.643 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.835 1.028 7.977 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.597 5.943 6.904 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.889 7.201 6.536 1.00 0.00 C ATOM 2124 C LEU B 40 -11.863 8.383 6.621 1.00 0.00 C ATOM 2125 O LEU B 40 -11.790 9.314 5.846 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.322 7.084 5.104 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.913 5.630 4.782 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.399 5.576 3.335 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.813 5.127 5.757 1.00 0.00 C ATOM 0 H LEU B 40 -11.873 5.353 6.119 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.064 7.367 7.229 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.069 7.422 4.386 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.458 7.740 4.998 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.780 4.980 4.900 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.106 4.555 3.091 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -10.188 5.899 2.656 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.538 6.236 3.230 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.546 4.101 5.506 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.932 5.763 5.671 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.189 5.164 6.780 1.00 0.00 H new ATOM 2141 N SER B 41 -12.776 8.357 7.556 1.00 0.00 N ATOM 2142 CA SER B 41 -13.753 9.479 7.687 1.00 0.00 C ATOM 2143 C SER B 41 -13.158 10.600 8.553 1.00 0.00 C ATOM 2144 O SER B 41 -13.630 11.720 8.534 1.00 0.00 O ATOM 2145 CB SER B 41 -15.041 8.947 8.340 1.00 0.00 C ATOM 2146 OG SER B 41 -15.229 9.558 9.614 1.00 0.00 O ATOM 0 H SER B 41 -12.888 7.605 8.236 1.00 0.00 H new ATOM 0 HA SER B 41 -13.977 9.882 6.699 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.897 9.155 7.698 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.982 7.864 8.452 1.00 0.00 H new ATOM 0 HG SER B 41 -14.409 9.468 10.144 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.132 10.313 9.316 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.520 11.368 10.186 1.00 0.00 C ATOM 2154 C HIS B 42 -10.283 11.953 9.502 1.00 0.00 C ATOM 2155 O HIS B 42 -9.822 13.021 9.852 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.107 10.749 11.524 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.320 10.210 12.228 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -13.580 10.213 11.644 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -12.485 9.647 13.471 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -14.438 9.667 12.525 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -13.820 9.306 13.651 1.00 0.00 N ATOM 0 H HIS B 42 -11.691 9.395 9.375 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.250 12.160 10.354 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.385 9.949 11.358 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.616 11.498 12.146 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.699 9.493 14.195 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -15.495 9.537 12.343 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.240 8.871 14.472 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.742 11.258 8.531 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.526 11.758 7.812 1.00 0.00 C ATOM 2172 C PHE B 43 -8.890 12.084 6.361 1.00 0.00 C ATOM 2173 O PHE B 43 -8.414 13.052 5.800 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.441 10.677 7.850 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.833 10.639 9.234 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -7.515 10.007 10.281 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.595 11.247 9.474 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -6.957 9.980 11.566 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.039 11.222 10.759 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.719 10.588 11.804 1.00 0.00 C ATOM 0 H PHE B 43 -10.093 10.358 8.203 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.153 12.661 8.296 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.868 9.706 7.599 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.672 10.889 7.107 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.472 9.540 10.098 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.068 11.736 8.668 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.482 9.490 12.373 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.085 11.693 10.943 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.289 10.568 12.794 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.742 11.294 5.755 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.164 11.562 4.340 1.00 0.00 C ATOM 2192 C LEU B 44 -11.625 12.019 4.350 1.00 0.00 C ATOM 2193 O LEU B 44 -12.474 11.401 4.960 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.025 10.276 3.511 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.032 10.605 2.007 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.742 11.353 1.603 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.142 9.296 1.214 1.00 0.00 C ATOM 0 H LEU B 44 -10.167 10.470 6.180 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.536 12.335 3.898 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.099 9.764 3.774 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.843 9.595 3.745 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.882 11.250 1.787 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.769 11.575 0.536 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.670 12.284 2.166 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.876 10.729 1.822 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.148 9.517 0.147 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.291 8.656 1.448 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.066 8.784 1.484 1.00 0.00 H new ATOM 2209 N GLU B 45 -11.926 13.103 3.692 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.330 13.598 3.683 1.00 0.00 C ATOM 2211 C GLU B 45 -14.271 12.469 3.262 1.00 0.00 C ATOM 2212 O GLU B 45 -14.008 11.748 2.320 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.453 14.765 2.702 1.00 0.00 C ATOM 2214 CG GLU B 45 -13.115 14.281 1.292 1.00 0.00 C ATOM 2215 CD GLU B 45 -12.925 15.489 0.371 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -12.950 16.600 0.873 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -12.761 15.280 -0.819 1.00 0.00 O ATOM 0 H GLU B 45 -11.262 13.667 3.161 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.601 13.936 4.683 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -14.465 15.170 2.727 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -12.780 15.571 2.993 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.207 13.678 1.311 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.914 13.643 0.913 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.368 12.309 3.952 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.325 11.227 3.587 1.00 0.00 C ATOM 2226 C GLU B 46 -17.033 11.609 2.286 1.00 0.00 C ATOM 2227 O GLU B 46 -17.926 12.434 2.272 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.357 11.044 4.710 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.710 12.404 5.318 1.00 0.00 C ATOM 2230 CD GLU B 46 -18.981 12.273 6.163 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -20.026 12.013 5.591 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -18.884 12.433 7.368 1.00 0.00 O ATOM 0 H GLU B 46 -15.642 12.880 4.751 1.00 0.00 H new ATOM 0 HA GLU B 46 -15.786 10.289 3.450 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.255 10.567 4.317 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.957 10.384 5.480 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.886 12.763 5.935 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.860 13.139 4.528 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.642 11.021 1.190 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.293 11.363 -0.103 1.00 0.00 C ATOM 2241 C ILE B 47 -18.774 10.975 -0.059 1.00 0.00 C ATOM 2242 O ILE B 47 -19.145 9.941 0.460 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.606 10.620 -1.257 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -16.564 9.115 -0.970 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.177 11.137 -1.422 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.037 8.379 -2.205 1.00 0.00 C ATOM 0 H ILE B 47 -15.902 10.321 1.134 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.202 12.437 -0.265 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.172 10.796 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -15.923 8.915 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.560 8.754 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.691 10.608 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.199 12.204 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -14.620 10.968 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.006 7.308 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.696 8.571 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.033 8.734 -2.439 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.619 11.800 -0.619 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.083 11.501 -0.650 1.00 0.00 C ATOM 2260 C LYS B 48 -21.451 11.154 -2.089 1.00 0.00 C ATOM 2261 O LYS B 48 -22.475 10.561 -2.363 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.867 12.737 -0.205 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.719 12.916 1.307 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.235 14.300 1.711 1.00 0.00 C ATOM 2265 CE LYS B 48 -22.308 14.399 3.237 1.00 0.00 C ATOM 2266 NZ LYS B 48 -23.073 15.620 3.613 1.00 0.00 N ATOM 0 H LYS B 48 -19.354 12.680 -1.062 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.322 10.674 0.019 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.499 13.621 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.919 12.628 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -22.277 12.141 1.832 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.674 12.807 1.596 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -21.575 15.074 1.318 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.221 14.472 1.278 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -22.790 13.512 3.648 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -21.304 14.440 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -23.125 15.692 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -22.594 16.461 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -24.035 15.562 3.221 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.599 11.528 -3.007 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.837 11.243 -4.452 1.00 0.00 C ATOM 2282 C GLU B 49 -19.785 10.246 -4.933 1.00 0.00 C ATOM 2283 O GLU B 49 -18.668 10.233 -4.457 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.703 12.540 -5.256 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.714 13.572 -4.749 1.00 0.00 C ATOM 2286 CD GLU B 49 -21.672 14.810 -5.648 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -21.998 14.681 -6.817 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -21.312 15.866 -5.153 1.00 0.00 O ATOM 0 H GLU B 49 -19.732 12.028 -2.812 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.837 10.832 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.691 12.933 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.872 12.342 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.717 13.144 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.483 13.848 -3.720 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.128 9.413 -5.871 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.143 8.419 -6.381 1.00 0.00 C ATOM 2297 C GLN B 50 -18.267 9.078 -7.452 1.00 0.00 C ATOM 2298 O GLN B 50 -17.199 8.601 -7.778 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.901 7.238 -6.997 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.831 6.624 -5.949 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.434 5.329 -6.499 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.058 4.580 -5.772 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -21.272 5.030 -7.758 1.00 0.00 N ATOM 0 H GLN B 50 -21.049 9.376 -6.308 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.513 8.067 -5.564 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -20.478 7.573 -7.859 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.196 6.488 -7.357 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -20.279 6.420 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.624 7.327 -5.694 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -20.749 5.658 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -21.669 4.168 -8.133 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.733 10.153 -8.020 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.969 10.842 -9.096 1.00 0.00 C ATOM 2314 C GLU B 51 -16.480 10.895 -8.792 1.00 0.00 C ATOM 2315 O GLU B 51 -15.665 10.602 -9.646 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.507 12.263 -9.274 1.00 0.00 C ATOM 2317 CG GLU B 51 -19.958 12.200 -9.752 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.548 13.610 -9.776 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -19.818 14.541 -9.475 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -21.718 13.737 -10.095 1.00 0.00 O ATOM 0 H GLU B 51 -19.623 10.590 -7.781 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.099 10.271 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.446 12.807 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.898 12.807 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.005 11.757 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.543 11.561 -9.090 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.093 11.248 -7.606 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.638 11.285 -7.317 1.00 0.00 C ATOM 2329 C VAL B 52 -14.149 9.856 -7.210 1.00 0.00 C ATOM 2330 O VAL B 52 -13.065 9.518 -7.645 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.370 12.031 -6.007 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -14.786 13.496 -6.158 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.175 11.384 -4.877 1.00 0.00 C ATOM 0 H VAL B 52 -16.707 11.509 -6.835 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.112 11.810 -8.114 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.307 11.979 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -14.595 14.026 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.211 13.956 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.849 13.550 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -14.984 11.915 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.238 11.434 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -14.877 10.341 -4.768 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.952 9.009 -6.653 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.554 7.590 -6.535 1.00 0.00 C ATOM 2345 C VAL B 53 -14.465 7.038 -7.955 1.00 0.00 C ATOM 2346 O VAL B 53 -13.745 6.101 -8.232 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.593 6.844 -5.650 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.432 5.844 -6.458 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.889 6.083 -4.528 1.00 0.00 C ATOM 0 H VAL B 53 -15.870 9.238 -6.273 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.587 7.460 -6.049 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.255 7.606 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.143 5.348 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.974 6.373 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.776 5.100 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.630 5.567 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.202 5.355 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.332 6.784 -3.906 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.174 7.646 -8.866 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.103 7.187 -10.275 1.00 0.00 C ATOM 2361 C ASP B 54 -13.795 7.718 -10.845 1.00 0.00 C ATOM 2362 O ASP B 54 -13.151 7.093 -11.663 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.281 7.748 -11.072 1.00 0.00 C ATOM 2364 CG ASP B 54 -16.285 7.132 -12.474 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -15.887 5.985 -12.596 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -16.686 7.818 -13.400 1.00 0.00 O ATOM 0 H ASP B 54 -15.795 8.436 -8.694 1.00 0.00 H new ATOM 0 HA ASP B 54 -15.146 6.099 -10.332 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -17.218 7.525 -10.562 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.205 8.833 -11.140 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.397 8.876 -10.392 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.123 9.471 -10.871 1.00 0.00 C ATOM 2373 C LYS B 55 -10.952 8.813 -10.133 1.00 0.00 C ATOM 2374 O LYS B 55 -9.996 8.378 -10.743 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.130 10.984 -10.605 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.722 11.587 -10.838 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.006 11.812 -9.496 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.497 11.940 -9.718 1.00 0.00 C ATOM 2379 NZ LYS B 55 -7.886 12.646 -8.557 1.00 0.00 N ATOM 0 H LYS B 55 -13.904 9.436 -9.707 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.015 9.301 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.852 11.470 -11.261 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.449 11.177 -9.581 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.132 10.918 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.808 12.532 -11.374 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.389 12.714 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.213 10.981 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.050 10.953 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.299 12.490 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.860 12.734 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.306 13.593 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.065 12.104 -7.688 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.011 8.726 -8.824 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.888 8.083 -8.077 1.00 0.00 C ATOM 2395 C VAL B 56 -9.591 6.719 -8.715 1.00 0.00 C ATOM 2396 O VAL B 56 -8.451 6.361 -8.935 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.268 7.944 -6.579 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.983 6.612 -6.299 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -9.005 8.017 -5.713 1.00 0.00 C ATOM 0 H VAL B 56 -11.780 9.069 -8.248 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.989 8.697 -8.133 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.945 8.762 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.234 6.549 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.896 6.557 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.327 5.784 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.278 7.919 -4.662 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.327 7.209 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.510 8.975 -5.871 1.00 0.00 H new ATOM 2409 N MET B 57 -10.612 5.967 -9.024 1.00 0.00 N ATOM 2410 CA MET B 57 -10.388 4.638 -9.661 1.00 0.00 C ATOM 2411 C MET B 57 -9.604 4.832 -10.961 1.00 0.00 C ATOM 2412 O MET B 57 -8.749 4.043 -11.308 1.00 0.00 O ATOM 2413 CB MET B 57 -11.737 3.980 -9.972 1.00 0.00 C ATOM 2414 CG MET B 57 -12.319 3.371 -8.696 1.00 0.00 C ATOM 2415 SD MET B 57 -13.900 2.579 -9.076 1.00 0.00 S ATOM 2416 CE MET B 57 -13.774 1.238 -7.871 1.00 0.00 C ATOM 0 H MET B 57 -11.589 6.214 -8.864 1.00 0.00 H new ATOM 0 HA MET B 57 -9.825 3.998 -8.982 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.427 4.718 -10.382 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.610 3.207 -10.730 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.625 2.641 -8.279 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.459 4.145 -7.942 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.693 0.652 -7.882 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.931 0.596 -8.128 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.622 1.656 -6.876 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.891 5.881 -11.678 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.164 6.133 -12.953 1.00 0.00 C ATOM 2428 C GLU B 58 -7.671 6.265 -12.666 1.00 0.00 C ATOM 2429 O GLU B 58 -6.839 5.866 -13.455 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.675 7.428 -13.588 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.153 7.530 -15.023 1.00 0.00 C ATOM 2432 CD GLU B 58 -9.607 8.854 -15.640 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -10.800 9.014 -15.838 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -8.754 9.686 -15.906 1.00 0.00 O ATOM 0 H GLU B 58 -10.598 6.576 -11.437 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.334 5.302 -13.638 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.765 7.443 -13.584 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.342 8.288 -13.006 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.065 7.468 -15.030 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.524 6.694 -15.616 1.00 0.00 H new ATOM 2441 N THR B 59 -7.325 6.829 -11.542 1.00 0.00 N ATOM 2442 CA THR B 59 -5.885 6.993 -11.203 1.00 0.00 C ATOM 2443 C THR B 59 -5.367 5.740 -10.499 1.00 0.00 C ATOM 2444 O THR B 59 -4.220 5.369 -10.648 1.00 0.00 O ATOM 2445 CB THR B 59 -5.712 8.193 -10.277 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.343 9.330 -10.851 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.222 8.473 -10.091 1.00 0.00 C ATOM 0 H THR B 59 -7.978 7.183 -10.844 1.00 0.00 H new ATOM 0 HA THR B 59 -5.321 7.150 -12.123 1.00 0.00 H new ATOM 0 HB THR B 59 -6.167 7.979 -9.310 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.101 10.131 -10.341 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.093 9.330 -9.430 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.740 7.600 -9.652 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.769 8.689 -11.058 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.193 5.087 -9.721 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.722 3.863 -8.996 1.00 0.00 C ATOM 2457 C LEU B 60 -6.018 2.605 -9.820 1.00 0.00 C ATOM 2458 O LEU B 60 -5.152 1.773 -10.000 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.418 3.767 -7.625 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.607 4.513 -6.550 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.234 3.834 -6.319 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.409 5.972 -6.983 1.00 0.00 C ATOM 0 H LEU B 60 -7.166 5.344 -9.556 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.645 3.937 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.421 4.190 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.531 2.721 -7.341 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.159 4.482 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.682 4.381 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.387 2.806 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.666 3.836 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.835 6.502 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.871 6.001 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.381 6.451 -7.103 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.207 2.440 -10.336 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.486 1.221 -11.145 1.00 0.00 C ATOM 2476 C ASP B 61 -6.457 1.132 -12.262 1.00 0.00 C ATOM 2477 O ASP B 61 -6.458 1.903 -13.202 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.909 1.318 -11.715 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.472 -0.083 -11.968 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.808 -0.856 -12.636 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.554 -0.361 -11.479 1.00 0.00 O ATOM 0 H ASP B 61 -7.988 3.089 -10.234 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.418 0.323 -10.531 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.552 1.856 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.899 1.887 -12.644 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.568 0.193 -12.143 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.507 0.025 -13.170 1.00 0.00 C ATOM 2488 C GLU B 62 -5.061 -0.813 -14.303 1.00 0.00 C ATOM 2489 O GLU B 62 -4.989 -0.444 -15.458 1.00 0.00 O ATOM 2490 CB GLU B 62 -3.295 -0.673 -12.551 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.194 -0.820 -13.602 1.00 0.00 C ATOM 2492 CD GLU B 62 -0.937 -1.391 -12.944 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -0.773 -1.184 -11.754 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -0.162 -2.025 -13.640 1.00 0.00 O ATOM 0 H GLU B 62 -5.529 -0.473 -11.371 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.195 0.999 -13.547 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.926 -0.098 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -3.582 -1.654 -12.171 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.528 -1.477 -14.405 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.974 0.148 -14.053 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.643 -1.924 -13.984 1.00 0.00 N ATOM 2502 CA ASP B 63 -6.232 -2.761 -15.048 1.00 0.00 C ATOM 2503 C ASP B 63 -7.532 -2.092 -15.476 1.00 0.00 C ATOM 2504 O ASP B 63 -8.222 -2.556 -16.359 1.00 0.00 O ATOM 2505 CB ASP B 63 -6.514 -4.168 -14.508 1.00 0.00 C ATOM 2506 CG ASP B 63 -7.006 -4.072 -13.062 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.674 -3.101 -12.748 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.707 -4.972 -12.295 1.00 0.00 O ATOM 0 H ASP B 63 -5.736 -2.288 -13.036 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.551 -2.855 -15.893 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -7.263 -4.663 -15.126 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.610 -4.775 -14.556 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.876 -0.990 -14.845 1.00 0.00 N ATOM 2514 CA GLY B 64 -9.135 -0.297 -15.221 1.00 0.00 C ATOM 2515 C GLY B 64 -10.270 -1.307 -15.147 1.00 0.00 C ATOM 2516 O GLY B 64 -11.084 -1.415 -16.044 1.00 0.00 O ATOM 0 H GLY B 64 -7.341 -0.552 -14.096 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.325 0.539 -14.548 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -9.057 0.115 -16.227 1.00 0.00 H new ATOM 2520 N ASP B 65 -10.319 -2.068 -14.087 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.396 -3.097 -13.959 1.00 0.00 C ATOM 2522 C ASP B 65 -12.565 -2.512 -13.175 1.00 0.00 C ATOM 2523 O ASP B 65 -13.598 -3.133 -13.026 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.847 -4.318 -13.217 1.00 0.00 C ATOM 2525 CG ASP B 65 -10.411 -3.905 -11.811 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -10.252 -2.716 -11.589 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -10.244 -4.782 -10.980 1.00 0.00 O ATOM 0 H ASP B 65 -9.664 -2.024 -13.306 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.735 -3.395 -14.951 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.609 -5.095 -13.160 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -10.002 -4.739 -13.762 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.411 -1.323 -12.665 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.520 -0.704 -11.881 1.00 0.00 C ATOM 2534 C GLY B 66 -13.428 -1.198 -10.441 1.00 0.00 C ATOM 2535 O GLY B 66 -14.207 -0.822 -9.588 1.00 0.00 O ATOM 0 H GLY B 66 -11.570 -0.753 -12.755 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.447 0.383 -11.914 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.484 -0.972 -12.313 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.461 -2.034 -10.174 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.260 -2.572 -8.797 1.00 0.00 C ATOM 2541 C GLU B 67 -10.784 -2.406 -8.442 1.00 0.00 C ATOM 2542 O GLU B 67 -9.961 -2.185 -9.308 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.634 -4.055 -8.758 1.00 0.00 C ATOM 2544 CG GLU B 67 -14.149 -4.216 -8.932 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.522 -4.040 -10.407 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.870 -4.652 -11.238 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.451 -3.299 -10.678 1.00 0.00 O ATOM 0 H GLU B 67 -11.790 -2.373 -10.864 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.889 -2.037 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -12.109 -4.592 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.319 -4.494 -7.811 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.462 -5.200 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.675 -3.480 -8.324 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.443 -2.481 -7.181 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.013 -2.291 -6.771 1.00 0.00 C ATOM 2556 C CYS B 68 -8.443 -3.562 -6.136 1.00 0.00 C ATOM 2557 O CYS B 68 -8.668 -3.836 -4.974 1.00 0.00 O ATOM 2558 CB CYS B 68 -8.943 -1.156 -5.749 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.816 0.292 -6.394 1.00 0.00 S ATOM 0 H CYS B 68 -11.091 -2.666 -6.415 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.426 -2.056 -7.659 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.389 -1.473 -4.807 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -7.903 -0.904 -5.540 1.00 0.00 H new ATOM 0 HG CYS B 68 -9.759 1.256 -5.524 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.701 -4.343 -6.886 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.103 -5.583 -6.308 1.00 0.00 C ATOM 2567 C ASP B 69 -6.355 -5.202 -5.025 1.00 0.00 C ATOM 2568 O ASP B 69 -6.384 -4.067 -4.611 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.125 -6.197 -7.317 1.00 0.00 C ATOM 2570 CG ASP B 69 -5.836 -7.651 -6.937 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -6.290 -8.069 -5.886 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -5.166 -8.319 -7.706 1.00 0.00 O ATOM 0 H ASP B 69 -7.486 -4.174 -7.869 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.882 -6.312 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.547 -6.150 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.198 -5.624 -7.334 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.687 -6.122 -4.386 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.963 -5.770 -3.125 1.00 0.00 C ATOM 2579 C PHE B 70 -3.688 -4.954 -3.420 1.00 0.00 C ATOM 2580 O PHE B 70 -3.244 -4.178 -2.599 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.600 -7.061 -2.358 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.388 -8.202 -3.332 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.251 -8.228 -4.149 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.333 -9.233 -3.419 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -3.059 -9.282 -5.051 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.144 -10.285 -4.322 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.007 -10.310 -5.139 1.00 0.00 C ATOM 0 H PHE B 70 -5.609 -7.097 -4.677 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.621 -5.153 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.696 -6.902 -1.770 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.396 -7.313 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.521 -7.434 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.209 -9.216 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.180 -9.302 -5.679 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.875 -11.077 -4.389 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.861 -11.121 -5.837 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.075 -5.149 -4.554 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.806 -4.415 -4.853 1.00 0.00 C ATOM 2599 C GLN B 71 -2.058 -2.932 -5.150 1.00 0.00 C ATOM 2600 O GLN B 71 -1.313 -2.078 -4.703 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.051 -5.072 -6.028 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.993 -5.410 -7.193 1.00 0.00 C ATOM 2603 CD GLN B 71 -2.415 -4.128 -7.907 1.00 0.00 C ATOM 2604 OE1 GLN B 71 -3.583 -3.925 -8.171 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -1.509 -3.248 -8.233 1.00 0.00 N ATOM 0 H GLN B 71 -3.394 -5.782 -5.287 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.186 -4.475 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.267 -4.400 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.560 -5.982 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.494 -6.080 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.872 -5.936 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.528 -3.419 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.781 -2.388 -8.710 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.098 -2.591 -5.860 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.353 -1.147 -6.130 1.00 0.00 C ATOM 2616 C GLU B 72 -4.212 -0.594 -5.000 1.00 0.00 C ATOM 2617 O GLU B 72 -4.083 0.546 -4.606 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.039 -0.984 -7.493 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.515 -1.436 -7.433 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.940 -2.008 -8.793 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.570 -1.426 -9.799 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.626 -3.017 -8.803 1.00 0.00 O ATOM 0 H GLU B 72 -3.775 -3.240 -6.261 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.417 -0.590 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.988 0.059 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.507 -1.569 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.643 -2.189 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.153 -0.593 -7.168 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.076 -1.400 -4.454 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.920 -0.920 -3.329 1.00 0.00 C ATOM 2631 C PHE B 73 -5.006 -0.341 -2.260 1.00 0.00 C ATOM 2632 O PHE B 73 -5.218 0.739 -1.761 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.706 -2.101 -2.763 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.312 -1.801 -1.406 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.683 -0.498 -1.031 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.525 -2.865 -0.524 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.263 -0.275 0.226 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.109 -2.640 0.722 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.476 -1.348 1.098 1.00 0.00 C ATOM 0 H PHE B 73 -5.234 -2.367 -4.737 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.619 -0.155 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.500 -2.372 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.047 -2.965 -2.679 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.522 0.328 -1.708 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.236 -3.866 -0.809 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.545 0.725 0.521 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.277 -3.467 1.396 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.926 -1.176 2.065 1.00 0.00 H new ATOM 2649 N MET B 74 -3.963 -1.028 -1.919 1.00 0.00 N ATOM 2650 CA MET B 74 -3.046 -0.457 -0.911 1.00 0.00 C ATOM 2651 C MET B 74 -2.540 0.865 -1.490 1.00 0.00 C ATOM 2652 O MET B 74 -2.467 1.871 -0.815 1.00 0.00 O ATOM 2653 CB MET B 74 -1.887 -1.443 -0.653 1.00 0.00 C ATOM 2654 CG MET B 74 -1.470 -1.435 0.836 1.00 0.00 C ATOM 2655 SD MET B 74 0.307 -1.763 0.975 1.00 0.00 S ATOM 2656 CE MET B 74 0.312 -2.324 2.694 1.00 0.00 C ATOM 0 H MET B 74 -3.708 -1.945 -2.287 1.00 0.00 H new ATOM 0 HA MET B 74 -3.540 -0.285 0.045 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.190 -2.449 -0.944 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.033 -1.175 -1.275 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.708 -0.471 1.285 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.033 -2.190 1.385 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.140 -1.856 3.227 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.629 -2.047 3.170 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.428 -3.407 2.723 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.185 0.852 -2.748 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.675 2.112 -3.374 1.00 0.00 C ATOM 2668 C ALA B 75 -2.668 3.250 -3.108 1.00 0.00 C ATOM 2669 O ALA B 75 -2.314 4.411 -3.161 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.490 1.925 -4.883 1.00 0.00 C ATOM 0 H ALA B 75 -2.224 0.039 -3.362 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.708 2.359 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.119 2.851 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.773 1.124 -5.065 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.446 1.666 -5.338 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.899 2.936 -2.800 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.873 4.031 -2.513 1.00 0.00 C ATOM 2678 C PHE B 76 -4.507 4.629 -1.159 1.00 0.00 C ATOM 2679 O PHE B 76 -4.311 5.819 -1.030 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.313 3.494 -2.489 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.263 4.550 -1.956 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.345 5.805 -2.571 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.073 4.265 -0.844 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.229 6.773 -2.076 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.955 5.232 -0.352 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.033 6.485 -0.968 1.00 0.00 C ATOM 0 H PHE B 76 -4.268 1.987 -2.735 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.824 4.789 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.614 3.199 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.365 2.601 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.726 6.027 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.014 3.297 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.290 7.742 -2.550 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.576 5.011 0.504 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.715 7.231 -0.588 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.377 3.808 -0.154 1.00 0.00 N ATOM 2697 CA VAL B 77 -3.985 4.334 1.182 1.00 0.00 C ATOM 2698 C VAL B 77 -2.709 5.157 1.027 1.00 0.00 C ATOM 2699 O VAL B 77 -2.513 6.164 1.669 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.703 3.169 2.126 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.345 3.717 3.501 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -4.939 2.286 2.243 1.00 0.00 C ATOM 0 H VAL B 77 -4.525 2.800 -0.200 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.790 4.948 1.586 1.00 0.00 H new ATOM 0 HB VAL B 77 -2.876 2.578 1.734 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.142 2.890 4.181 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.459 4.347 3.422 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.177 4.307 3.885 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -4.731 1.456 2.918 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.770 2.873 2.635 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.202 1.896 1.260 1.00 0.00 H new ATOM 2712 N SER B 78 -1.847 4.725 0.160 1.00 0.00 N ATOM 2713 CA SER B 78 -0.577 5.455 -0.080 1.00 0.00 C ATOM 2714 C SER B 78 -0.898 6.814 -0.675 1.00 0.00 C ATOM 2715 O SER B 78 -0.198 7.784 -0.472 1.00 0.00 O ATOM 2716 CB SER B 78 0.260 4.668 -1.079 1.00 0.00 C ATOM 2717 OG SER B 78 1.591 5.164 -1.076 1.00 0.00 O ATOM 0 H SER B 78 -1.969 3.883 -0.403 1.00 0.00 H new ATOM 0 HA SER B 78 -0.031 5.575 0.856 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.255 3.609 -0.820 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.169 4.754 -2.077 1.00 0.00 H new ATOM 0 HG SER B 78 2.177 4.532 -1.543 1.00 0.00 H new ATOM 2723 N MET B 79 -1.958 6.881 -1.419 1.00 0.00 N ATOM 2724 CA MET B 79 -2.347 8.165 -2.051 1.00 0.00 C ATOM 2725 C MET B 79 -2.950 9.086 -1.003 1.00 0.00 C ATOM 2726 O MET B 79 -2.806 10.292 -1.067 1.00 0.00 O ATOM 2727 CB MET B 79 -3.378 7.898 -3.148 1.00 0.00 C ATOM 2728 CG MET B 79 -3.622 9.172 -3.968 1.00 0.00 C ATOM 2729 SD MET B 79 -5.278 9.096 -4.700 1.00 0.00 S ATOM 2730 CE MET B 79 -4.849 9.756 -6.328 1.00 0.00 C ATOM 0 H MET B 79 -2.577 6.096 -1.619 1.00 0.00 H new ATOM 0 HA MET B 79 -1.466 8.638 -2.485 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.027 7.099 -3.800 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.313 7.558 -2.703 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.532 10.052 -3.331 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.869 9.266 -4.750 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.742 9.796 -6.951 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.439 10.760 -6.217 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.107 9.111 -6.798 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.606 8.536 -0.019 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.187 9.392 1.044 1.00 0.00 C ATOM 2742 C VAL B 80 -3.092 9.587 2.075 1.00 0.00 C ATOM 2743 O VAL B 80 -2.993 10.617 2.711 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.456 8.744 1.667 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.137 7.840 0.641 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.114 7.906 2.909 1.00 0.00 C ATOM 0 H VAL B 80 -3.763 7.534 0.092 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.517 10.350 0.641 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.122 9.554 1.964 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.025 7.390 1.085 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.426 8.430 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.447 7.054 0.334 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.026 7.470 3.316 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.423 7.110 2.632 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.650 8.543 3.661 1.00 0.00 H new ATOM 2756 N THR B 81 -2.250 8.599 2.236 1.00 0.00 N ATOM 2757 CA THR B 81 -1.150 8.740 3.215 1.00 0.00 C ATOM 2758 C THR B 81 -0.129 9.707 2.640 1.00 0.00 C ATOM 2759 O THR B 81 0.478 10.479 3.357 1.00 0.00 O ATOM 2760 CB THR B 81 -0.478 7.385 3.455 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.463 6.407 3.737 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.493 7.486 4.633 1.00 0.00 C ATOM 0 H THR B 81 -2.281 7.712 1.734 1.00 0.00 H new ATOM 0 HA THR B 81 -1.544 9.108 4.162 1.00 0.00 H new ATOM 0 HB THR B 81 0.073 7.098 2.559 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.948 6.185 2.915 1.00 0.00 H new ATOM 0 HG21 THR B 81 0.967 6.518 4.798 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.257 8.231 4.412 1.00 0.00 H new ATOM 0 HG23 THR B 81 -0.052 7.780 5.530 1.00 0.00 H new ATOM 2770 N THR B 82 0.096 9.664 1.349 1.00 0.00 N ATOM 2771 CA THR B 82 1.110 10.576 0.746 1.00 0.00 C ATOM 2772 C THR B 82 0.655 12.033 0.863 1.00 0.00 C ATOM 2773 O THR B 82 1.448 12.910 1.137 1.00 0.00 O ATOM 2774 CB THR B 82 1.297 10.212 -0.730 1.00 0.00 C ATOM 2775 OG1 THR B 82 0.027 9.975 -1.314 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.167 8.947 -0.852 1.00 0.00 C ATOM 0 H THR B 82 -0.376 9.041 0.694 1.00 0.00 H new ATOM 0 HA THR B 82 2.054 10.463 1.279 1.00 0.00 H new ATOM 0 HB THR B 82 1.793 11.034 -1.247 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.212 9.031 -1.205 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.296 8.694 -1.904 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.142 9.131 -0.401 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.680 8.119 -0.337 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.609 12.310 0.669 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.073 13.719 0.784 1.00 0.00 C ATOM 2786 C ALA B 83 -0.867 14.187 2.222 1.00 0.00 C ATOM 2787 O ALA B 83 -0.452 15.301 2.470 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.558 13.799 0.424 1.00 0.00 C ATOM 0 H ALA B 83 -1.331 11.627 0.438 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.507 14.355 0.103 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.898 14.831 0.508 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.704 13.451 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.132 13.171 1.106 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.142 13.338 3.174 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.945 13.739 4.594 1.00 0.00 C ATOM 2796 C CYS B 84 0.547 13.971 4.838 1.00 0.00 C ATOM 2797 O CYS B 84 0.939 14.694 5.733 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.453 12.629 5.516 1.00 0.00 C ATOM 2799 SG CYS B 84 -3.191 12.287 5.144 1.00 0.00 S ATOM 0 H CYS B 84 -1.492 12.391 3.031 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.500 14.654 4.802 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -0.856 11.727 5.380 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.345 12.929 6.558 1.00 0.00 H new ATOM 0 HG CYS B 84 -3.281 11.715 3.980 1.00 0.00 H new ATOM 2805 N HIS B 85 1.381 13.365 4.034 1.00 0.00 N ATOM 2806 CA HIS B 85 2.855 13.540 4.191 1.00 0.00 C ATOM 2807 C HIS B 85 3.324 14.663 3.257 1.00 0.00 C ATOM 2808 O HIS B 85 4.228 15.410 3.574 1.00 0.00 O ATOM 2809 CB HIS B 85 3.560 12.221 3.832 1.00 0.00 C ATOM 2810 CG HIS B 85 5.032 12.453 3.599 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.733 11.796 2.601 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.944 13.271 4.222 1.00 0.00 C ATOM 2813 CE1 HIS B 85 7.009 12.225 2.651 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.192 13.124 3.620 1.00 0.00 N ATOM 0 H HIS B 85 1.101 12.751 3.269 1.00 0.00 H new ATOM 0 HA HIS B 85 3.098 13.804 5.220 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.423 11.498 4.636 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.108 11.792 2.938 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.352 11.112 1.947 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.727 13.928 5.052 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.789 11.883 1.987 1.00 0.00 H new ATOM 2822 N GLU B 86 2.714 14.786 2.109 1.00 0.00 N ATOM 2823 CA GLU B 86 3.126 15.858 1.160 1.00 0.00 C ATOM 2824 C GLU B 86 2.606 17.207 1.655 1.00 0.00 C ATOM 2825 O GLU B 86 3.334 18.178 1.720 1.00 0.00 O ATOM 2826 CB GLU B 86 2.556 15.562 -0.229 1.00 0.00 C ATOM 2827 CG GLU B 86 3.058 16.617 -1.218 1.00 0.00 C ATOM 2828 CD GLU B 86 2.615 16.245 -2.632 1.00 0.00 C ATOM 2829 OE1 GLU B 86 2.954 15.159 -3.072 1.00 0.00 O ATOM 2830 OE2 GLU B 86 1.943 17.053 -3.251 1.00 0.00 O ATOM 0 H GLU B 86 1.950 14.191 1.788 1.00 0.00 H new ATOM 0 HA GLU B 86 4.214 15.891 1.101 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.860 14.567 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.467 15.567 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU B 86 2.666 17.598 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU B 86 4.145 16.685 -1.172 1.00 0.00 H new ATOM 2837 N PHE B 87 1.355 17.275 2.010 1.00 0.00 N ATOM 2838 CA PHE B 87 0.791 18.562 2.506 1.00 0.00 C ATOM 2839 C PHE B 87 1.682 19.098 3.627 1.00 0.00 C ATOM 2840 O PHE B 87 2.010 20.267 3.671 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.624 18.326 3.044 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.148 19.597 3.667 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.736 20.580 2.863 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.047 19.791 5.050 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -2.223 21.757 3.443 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -1.534 20.970 5.628 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.121 21.951 4.825 1.00 0.00 C ATOM 0 H PHE B 87 0.698 16.496 1.979 1.00 0.00 H new ATOM 0 HA PHE B 87 0.750 19.285 1.691 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.282 18.007 2.236 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.614 17.524 3.783 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.814 20.431 1.796 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -0.594 19.032 5.671 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.678 22.516 2.824 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.456 21.121 6.695 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.496 22.860 5.271 1.00 0.00 H new ATOM 2857 N PHE B 88 2.075 18.248 4.535 1.00 0.00 N ATOM 2858 CA PHE B 88 2.944 18.700 5.658 1.00 0.00 C ATOM 2859 C PHE B 88 4.232 19.320 5.103 1.00 0.00 C ATOM 2860 O PHE B 88 4.979 19.955 5.820 1.00 0.00 O ATOM 2861 CB PHE B 88 3.291 17.497 6.538 1.00 0.00 C ATOM 2862 CG PHE B 88 4.078 17.952 7.743 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.411 18.456 8.866 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.475 17.865 7.741 1.00 0.00 C ATOM 2865 CE1 PHE B 88 4.140 18.874 9.986 1.00 0.00 C ATOM 2866 CE2 PHE B 88 6.205 18.283 8.861 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.538 18.787 9.983 1.00 0.00 C ATOM 0 H PHE B 88 1.831 17.258 4.548 1.00 0.00 H new ATOM 0 HA PHE B 88 2.416 19.448 6.249 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.378 16.994 6.858 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.871 16.772 5.966 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.333 18.522 8.868 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.990 17.475 6.876 1.00 0.00 H new ATOM 0 HE1 PHE B 88 3.625 19.263 10.852 1.00 0.00 H new ATOM 0 HE2 PHE B 88 7.283 18.216 8.859 1.00 0.00 H new ATOM 0 HZ PHE B 88 6.101 19.109 10.847 1.00 0.00 H new ATOM 2877 N GLU B 89 4.497 19.141 3.830 1.00 0.00 N ATOM 2878 CA GLU B 89 5.740 19.718 3.217 1.00 0.00 C ATOM 2879 C GLU B 89 5.378 20.932 2.356 1.00 0.00 C ATOM 2880 O GLU B 89 6.233 21.708 1.977 1.00 0.00 O ATOM 2881 CB GLU B 89 6.414 18.658 2.340 1.00 0.00 C ATOM 2882 CG GLU B 89 6.988 17.545 3.223 1.00 0.00 C ATOM 2883 CD GLU B 89 7.464 16.385 2.343 1.00 0.00 C ATOM 2884 OE1 GLU B 89 7.457 16.546 1.134 1.00 0.00 O ATOM 2885 OE2 GLU B 89 7.827 15.356 2.892 1.00 0.00 O ATOM 0 H GLU B 89 3.904 18.618 3.185 1.00 0.00 H new ATOM 0 HA GLU B 89 6.421 20.028 4.010 1.00 0.00 H new ATOM 0 HB2 GLU B 89 5.693 18.242 1.637 1.00 0.00 H new ATOM 0 HB3 GLU B 89 7.209 19.113 1.749 1.00 0.00 H new ATOM 0 HG2 GLU B 89 7.818 17.929 3.816 1.00 0.00 H new ATOM 0 HG3 GLU B 89 6.230 17.196 3.924 1.00 0.00 H new ATOM 2892 N HIS B 90 4.123 21.110 2.048 1.00 0.00 N ATOM 2893 CA HIS B 90 3.723 22.282 1.215 1.00 0.00 C ATOM 2894 C HIS B 90 4.176 23.569 1.913 1.00 0.00 C ATOM 2895 O HIS B 90 3.557 24.029 2.851 1.00 0.00 O ATOM 2896 CB HIS B 90 2.196 22.301 1.041 1.00 0.00 C ATOM 2897 CG HIS B 90 1.791 21.342 -0.048 1.00 0.00 C ATOM 2898 ND1 HIS B 90 0.620 21.503 -0.775 1.00 0.00 N ATOM 2899 CD2 HIS B 90 2.387 20.206 -0.544 1.00 0.00 C ATOM 2900 CE1 HIS B 90 0.547 20.490 -1.659 1.00 0.00 C ATOM 2901 NE2 HIS B 90 1.598 19.676 -1.558 1.00 0.00 N ATOM 0 H HIS B 90 3.359 20.498 2.335 1.00 0.00 H new ATOM 0 HA HIS B 90 4.192 22.209 0.234 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.711 22.026 1.978 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.862 23.309 0.793 1.00 0.00 H new ATOM 0 HD2 HIS B 90 3.322 19.791 -0.199 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -0.262 20.354 -2.362 1.00 0.00 H new ATOM 0 HE2 HIS B 90 1.784 18.839 -2.110 1.00 0.00 H new ATOM 2910 N GLU B 91 5.250 24.155 1.459 1.00 0.00 N ATOM 2911 CA GLU B 91 5.737 25.412 2.093 1.00 0.00 C ATOM 2912 C GLU B 91 4.784 26.559 1.742 1.00 0.00 C ATOM 2913 O GLU B 91 5.191 27.703 1.874 1.00 0.00 O ATOM 2914 CB GLU B 91 7.141 25.742 1.576 1.00 0.00 C ATOM 2915 CG GLU B 91 8.028 24.499 1.667 1.00 0.00 C ATOM 2916 CD GLU B 91 9.495 24.903 1.502 1.00 0.00 C ATOM 2917 OE1 GLU B 91 9.959 25.715 2.287 1.00 0.00 O ATOM 2918 OE2 GLU B 91 10.132 24.395 0.593 1.00 0.00 O ATOM 2919 OXT GLU B 91 3.665 26.275 1.350 1.00 0.00 O ATOM 0 H GLU B 91 5.811 23.818 0.677 1.00 0.00 H new ATOM 0 HA GLU B 91 5.773 25.281 3.175 1.00 0.00 H new ATOM 0 HB2 GLU B 91 7.087 26.088 0.544 1.00 0.00 H new ATOM 0 HB3 GLU B 91 7.574 26.553 2.162 1.00 0.00 H new ATOM 0 HG2 GLU B 91 7.882 24.005 2.628 1.00 0.00 H new ATOM 0 HG3 GLU B 91 7.748 23.783 0.894 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 15.141 7.703 -1.194 1.00 0.00 CA HETATM 2928 CA CA A 93 8.057 2.009 -10.456 1.00 0.00 CA HETATM 2929 ZN ZN A 94 9.013 13.617 2.811 1.00 0.00 ZN HETATM 2930 CA CA B 92 -14.836 -7.353 -1.720 1.00 0.00 CA HETATM 2931 CA CA B 93 -8.002 -2.047 -10.102 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -8.997 -13.643 2.377 1.00 0.00 ZN