USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 797 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.693 USER MOD Single : A 3 SER OG : rot 57:sc= 0.0156 USER MOD Single : A 17 ASN : amide:sc= -3.52! C(o=-3.5!,f=-3.4!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -2.81! K(o=-2.8!,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 69:sc= 1.38 USER MOD Single : A 34 HIS : no HE2:sc= -8.01! C(o=-8!,f=-7.2!) USER MOD Single : A 35 ASN : amide:sc= -4.37! C(o=-4.4!,f=-7.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.11) USER MOD Single : A 40 SER OG : rot 180:sc= -0.548 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 32:sc= 0.282 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.4) USER MOD Single : A 53 GLN : amide:sc= -2.93! C(o=-2.9!,f=-1.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.0173 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -137:sc= 0.0242 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 78 LYS NZ :NH3+ 140:sc= -4.78! (180deg=-8.6!) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc=-0.00384 (180deg=-0.196) USER MOD Single : A 85 MET CE :methyl -141:sc= -1.87! (180deg=-4.59!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.22) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.938 -12.415 -24.422 1.00 0.00 N ATOM 2 CA MET A 1 -0.451 -13.779 -24.471 1.00 0.00 C ATOM 3 C MET A 1 -1.408 -14.698 -23.726 1.00 0.00 C ATOM 4 O MET A 1 -1.991 -15.605 -24.317 1.00 0.00 O ATOM 5 CB MET A 1 0.945 -13.842 -23.859 1.00 0.00 C ATOM 6 CG MET A 1 1.725 -14.992 -24.489 1.00 0.00 C ATOM 7 SD MET A 1 2.620 -14.536 -25.994 1.00 0.00 S ATOM 8 CE MET A 1 3.140 -16.183 -26.534 1.00 0.00 C ATOM 0 H1 MET A 1 -0.280 -11.793 -24.933 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.877 -12.365 -24.867 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.008 -12.107 -23.431 1.00 0.00 H new ATOM 0 HA MET A 1 -0.395 -14.111 -25.508 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.469 -12.900 -24.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.875 -13.984 -22.781 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.436 -15.378 -23.759 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.034 -15.802 -24.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.711 -16.099 -27.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.761 -16.639 -25.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.261 -16.804 -26.706 1.00 0.00 H new ATOM 20 N SER A 2 -1.569 -14.461 -22.422 1.00 0.00 N ATOM 21 CA SER A 2 -2.454 -15.264 -21.604 1.00 0.00 C ATOM 22 C SER A 2 -2.530 -14.683 -20.199 1.00 0.00 C ATOM 23 O SER A 2 -1.522 -14.610 -19.499 1.00 0.00 O ATOM 24 CB SER A 2 -1.945 -16.703 -21.566 1.00 0.00 C ATOM 25 OG SER A 2 -0.645 -16.727 -21.021 1.00 0.00 O ATOM 0 H SER A 2 -1.092 -13.714 -21.917 1.00 0.00 H new ATOM 0 HA SER A 2 -3.456 -15.257 -22.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.614 -17.321 -20.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.937 -17.124 -22.571 1.00 0.00 H new ATOM 0 HG SER A 2 -0.564 -16.029 -20.338 1.00 0.00 H new ATOM 31 N SER A 3 -3.731 -14.268 -19.788 1.00 0.00 N ATOM 32 CA SER A 3 -3.931 -13.698 -18.471 1.00 0.00 C ATOM 33 C SER A 3 -5.420 -13.602 -18.171 1.00 0.00 C ATOM 34 O SER A 3 -6.083 -12.658 -18.597 1.00 0.00 O ATOM 35 CB SER A 3 -3.276 -12.321 -18.408 1.00 0.00 C ATOM 36 OG SER A 3 -2.199 -12.354 -17.500 1.00 0.00 O ATOM 0 H SER A 3 -4.576 -14.320 -20.357 1.00 0.00 H new ATOM 0 HA SER A 3 -3.470 -14.339 -17.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.923 -12.029 -19.397 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.005 -11.573 -18.096 1.00 0.00 H new ATOM 0 HG SER A 3 -1.565 -13.051 -17.770 1.00 0.00 H new ATOM 42 N ASP A 4 -5.946 -14.583 -17.433 1.00 0.00 N ATOM 43 CA ASP A 4 -7.351 -14.605 -17.081 1.00 0.00 C ATOM 44 C ASP A 4 -7.502 -14.793 -15.578 1.00 0.00 C ATOM 45 O ASP A 4 -6.952 -15.734 -15.009 1.00 0.00 O ATOM 46 CB ASP A 4 -8.047 -15.731 -17.839 1.00 0.00 C ATOM 47 CG ASP A 4 -8.901 -15.177 -18.971 1.00 0.00 C ATOM 48 OD1 ASP A 4 -9.860 -14.442 -18.652 1.00 0.00 O ATOM 49 OD2 ASP A 4 -8.578 -15.499 -20.135 1.00 0.00 O ATOM 0 H ASP A 4 -5.410 -15.371 -17.071 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.815 -13.658 -17.358 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.303 -16.418 -18.242 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.672 -16.304 -17.154 1.00 0.00 H new ATOM 54 N GLY A 5 -8.247 -13.892 -14.933 1.00 0.00 N ATOM 55 CA GLY A 5 -8.462 -13.967 -13.501 1.00 0.00 C ATOM 56 C GLY A 5 -9.689 -13.156 -13.109 1.00 0.00 C ATOM 57 O GLY A 5 -9.929 -12.081 -13.655 1.00 0.00 O ATOM 0 H GLY A 5 -8.708 -13.104 -15.388 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.593 -15.006 -13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.585 -13.591 -12.974 1.00 0.00 H new ATOM 61 N GLY A 6 -10.469 -13.675 -12.159 1.00 0.00 N ATOM 62 CA GLY A 6 -11.665 -12.997 -11.700 1.00 0.00 C ATOM 63 C GLY A 6 -11.576 -12.723 -10.205 1.00 0.00 C ATOM 64 O GLY A 6 -11.478 -13.651 -9.405 1.00 0.00 O ATOM 0 H GLY A 6 -10.286 -14.566 -11.696 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.790 -12.059 -12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.542 -13.608 -11.913 1.00 0.00 H new ATOM 68 N PRO A 7 -11.610 -11.443 -9.831 1.00 0.00 N ATOM 69 CA PRO A 7 -11.540 -10.993 -8.457 1.00 0.00 C ATOM 70 C PRO A 7 -12.849 -11.308 -7.748 1.00 0.00 C ATOM 71 O PRO A 7 -13.187 -10.672 -6.752 1.00 0.00 O ATOM 72 CB PRO A 7 -11.317 -9.484 -8.551 1.00 0.00 C ATOM 73 CG PRO A 7 -12.019 -9.119 -9.858 1.00 0.00 C ATOM 74 CD PRO A 7 -11.724 -10.327 -10.745 1.00 0.00 C ATOM 0 HA PRO A 7 -10.747 -11.481 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.748 -8.958 -7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.257 -9.233 -8.577 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.090 -8.973 -9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.625 -8.197 -10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.522 -10.490 -11.469 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.804 -10.185 -11.312 1.00 0.00 H new ATOM 82 N VAL A 8 -13.587 -12.293 -8.266 1.00 0.00 N ATOM 83 CA VAL A 8 -14.853 -12.687 -7.682 1.00 0.00 C ATOM 84 C VAL A 8 -14.609 -13.591 -6.483 1.00 0.00 C ATOM 85 O VAL A 8 -15.545 -14.199 -5.962 1.00 0.00 O ATOM 86 CB VAL A 8 -15.697 -13.400 -8.735 1.00 0.00 C ATOM 87 CG1 VAL A 8 -15.095 -14.771 -9.026 1.00 0.00 C ATOM 88 CG2 VAL A 8 -17.121 -13.570 -8.215 1.00 0.00 C ATOM 0 H VAL A 8 -13.320 -12.829 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.392 -11.803 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.712 -12.808 -9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.697 -15.281 -9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.077 -14.650 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.080 -15.363 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.724 -14.079 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.106 -14.162 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.552 -12.591 -8.007 1.00 0.00 H new ATOM 98 N LEU A 9 -13.353 -13.678 -6.046 1.00 0.00 N ATOM 99 CA LEU A 9 -12.977 -14.519 -4.910 1.00 0.00 C ATOM 100 C LEU A 9 -12.260 -13.720 -3.819 1.00 0.00 C ATOM 101 O LEU A 9 -11.470 -12.823 -4.102 1.00 0.00 O ATOM 102 CB LEU A 9 -12.081 -15.663 -5.392 1.00 0.00 C ATOM 103 CG LEU A 9 -10.686 -15.229 -5.891 1.00 0.00 C ATOM 104 CD1 LEU A 9 -9.592 -15.651 -4.914 1.00 0.00 C ATOM 105 CD2 LEU A 9 -10.402 -15.797 -7.277 1.00 0.00 C ATOM 0 H LEU A 9 -12.573 -13.172 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.892 -14.921 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.954 -16.374 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.591 -16.190 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.685 -14.141 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.622 -15.331 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.772 -15.188 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.599 -16.736 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.413 -15.477 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.436 -16.886 -7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.153 -15.435 -7.979 1.00 0.00 H new ATOM 117 N GLY A 10 -12.552 -14.057 -2.560 1.00 0.00 N ATOM 118 CA GLY A 10 -11.948 -13.379 -1.431 1.00 0.00 C ATOM 119 C GLY A 10 -12.903 -12.330 -0.875 1.00 0.00 C ATOM 120 O GLY A 10 -14.081 -12.606 -0.664 1.00 0.00 O ATOM 0 H GLY A 10 -13.205 -14.798 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.698 -14.102 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.015 -12.906 -1.738 1.00 0.00 H new ATOM 124 N GLY A 11 -12.387 -11.122 -0.638 1.00 0.00 N ATOM 125 CA GLY A 11 -13.194 -10.041 -0.108 1.00 0.00 C ATOM 126 C GLY A 11 -12.346 -8.792 0.078 1.00 0.00 C ATOM 127 O GLY A 11 -11.128 -8.878 0.216 1.00 0.00 O ATOM 0 H GLY A 11 -11.412 -10.876 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.021 -9.830 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.631 -10.338 0.846 1.00 0.00 H new ATOM 131 N VAL A 12 -12.995 -7.625 0.081 1.00 0.00 N ATOM 132 CA VAL A 12 -12.302 -6.364 0.249 1.00 0.00 C ATOM 133 C VAL A 12 -13.119 -5.441 1.143 1.00 0.00 C ATOM 134 O VAL A 12 -14.288 -5.181 0.866 1.00 0.00 O ATOM 135 CB VAL A 12 -12.069 -5.726 -1.117 1.00 0.00 C ATOM 136 CG1 VAL A 12 -13.412 -5.448 -1.785 1.00 0.00 C ATOM 137 CG2 VAL A 12 -11.306 -4.415 -0.944 1.00 0.00 C ATOM 0 H VAL A 12 -14.005 -7.537 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.336 -6.536 0.724 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.487 -6.405 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.245 -4.992 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.957 -6.384 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.995 -4.769 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.140 -3.959 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.887 -3.735 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.346 -4.613 -0.468 1.00 0.00 H new ATOM 147 N GLU A 13 -12.501 -4.946 2.218 1.00 0.00 N ATOM 148 CA GLU A 13 -13.175 -4.056 3.142 1.00 0.00 C ATOM 149 C GLU A 13 -12.537 -2.675 3.092 1.00 0.00 C ATOM 150 O GLU A 13 -11.331 -2.538 3.278 1.00 0.00 O ATOM 151 CB GLU A 13 -13.099 -4.637 4.551 1.00 0.00 C ATOM 152 CG GLU A 13 -14.242 -5.627 4.756 1.00 0.00 C ATOM 153 CD GLU A 13 -13.742 -7.061 4.659 1.00 0.00 C ATOM 154 OE1 GLU A 13 -12.757 -7.367 5.363 1.00 0.00 O ATOM 155 OE2 GLU A 13 -14.355 -7.824 3.881 1.00 0.00 O ATOM 0 H GLU A 13 -11.533 -5.152 2.463 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.223 -3.958 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.141 -5.136 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.160 -3.837 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.700 -5.463 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.015 -5.456 4.007 1.00 0.00 H new ATOM 162 N PRO A 14 -13.354 -1.649 2.840 1.00 0.00 N ATOM 163 CA PRO A 14 -12.928 -0.269 2.757 1.00 0.00 C ATOM 164 C PRO A 14 -12.595 0.246 4.150 1.00 0.00 C ATOM 165 O PRO A 14 -13.401 0.122 5.069 1.00 0.00 O ATOM 166 CB PRO A 14 -14.125 0.476 2.169 1.00 0.00 C ATOM 167 CG PRO A 14 -15.313 -0.346 2.669 1.00 0.00 C ATOM 168 CD PRO A 14 -14.778 -1.775 2.616 1.00 0.00 C ATOM 0 HA PRO A 14 -12.035 -0.136 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.171 1.507 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.086 0.510 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.606 -0.061 3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.190 -0.218 2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.244 -2.400 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.987 -2.239 1.652 1.00 0.00 H new ATOM 176 N VAL A 15 -11.402 0.827 4.303 1.00 0.00 N ATOM 177 CA VAL A 15 -10.967 1.355 5.581 1.00 0.00 C ATOM 178 C VAL A 15 -10.206 2.655 5.367 1.00 0.00 C ATOM 179 O VAL A 15 -10.314 3.277 4.312 1.00 0.00 O ATOM 180 CB VAL A 15 -10.091 0.324 6.286 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.083 0.605 7.786 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.649 -1.074 6.034 1.00 0.00 C ATOM 0 H VAL A 15 -10.724 0.940 3.549 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.834 1.563 6.208 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.074 0.385 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.457 -0.131 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.686 1.604 7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.100 0.543 8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.024 -1.811 6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.666 -1.135 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.656 -1.275 4.963 1.00 0.00 H new ATOM 192 N GLY A 16 -9.431 3.068 6.373 1.00 0.00 N ATOM 193 CA GLY A 16 -8.657 4.289 6.286 1.00 0.00 C ATOM 194 C GLY A 16 -8.480 4.900 7.669 1.00 0.00 C ATOM 195 O GLY A 16 -9.451 5.099 8.394 1.00 0.00 O ATOM 0 H GLY A 16 -9.329 2.567 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.682 4.079 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.158 4.999 5.628 1.00 0.00 H new ATOM 199 N ASN A 17 -7.230 5.198 8.034 1.00 0.00 N ATOM 200 CA ASN A 17 -6.931 5.784 9.325 1.00 0.00 C ATOM 201 C ASN A 17 -5.433 5.717 9.591 1.00 0.00 C ATOM 202 O ASN A 17 -4.867 4.633 9.709 1.00 0.00 O ATOM 203 CB ASN A 17 -7.706 5.043 10.410 1.00 0.00 C ATOM 204 CG ASN A 17 -7.755 3.549 10.119 1.00 0.00 C ATOM 205 OD1 ASN A 17 -6.828 3.000 9.527 1.00 0.00 O ATOM 206 ND2 ASN A 17 -8.839 2.893 10.538 1.00 0.00 N ATOM 0 H ASN A 17 -6.413 5.039 7.445 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.233 6.831 9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.236 5.214 11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.720 5.439 10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.925 1.890 10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.582 3.394 11.025 1.00 0.00 H new ATOM 213 N GLU A 18 -4.791 6.884 9.685 1.00 0.00 N ATOM 214 CA GLU A 18 -3.366 6.951 9.938 1.00 0.00 C ATOM 215 C GLU A 18 -3.083 6.646 11.402 1.00 0.00 C ATOM 216 O GLU A 18 -2.017 6.135 11.739 1.00 0.00 O ATOM 217 CB GLU A 18 -2.849 8.338 9.564 1.00 0.00 C ATOM 218 CG GLU A 18 -3.515 9.384 10.452 1.00 0.00 C ATOM 219 CD GLU A 18 -3.069 10.787 10.066 1.00 0.00 C ATOM 220 OE1 GLU A 18 -3.217 11.121 8.871 1.00 0.00 O ATOM 221 OE2 GLU A 18 -2.586 11.499 10.974 1.00 0.00 O ATOM 0 H GLU A 18 -5.245 7.792 9.588 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.851 6.208 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.766 8.379 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.061 8.547 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.599 9.305 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.266 9.193 11.496 1.00 0.00 H new ATOM 228 N ASN A 19 -4.043 6.963 12.274 1.00 0.00 N ATOM 229 CA ASN A 19 -3.894 6.721 13.695 1.00 0.00 C ATOM 230 C ASN A 19 -3.308 5.336 13.926 1.00 0.00 C ATOM 231 O ASN A 19 -2.672 5.089 14.949 1.00 0.00 O ATOM 232 CB ASN A 19 -5.252 6.855 14.377 1.00 0.00 C ATOM 233 CG ASN A 19 -5.338 8.151 15.169 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.098 8.162 16.374 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.678 9.247 14.487 1.00 0.00 N ATOM 0 H ASN A 19 -4.932 7.389 12.011 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.212 7.456 14.123 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.043 6.829 13.628 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.414 6.007 15.042 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.748 10.145 14.966 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.868 9.187 13.487 1.00 0.00 H new ATOM 242 N ASP A 20 -3.524 4.429 12.970 1.00 0.00 N ATOM 243 CA ASP A 20 -3.019 3.075 13.073 1.00 0.00 C ATOM 244 C ASP A 20 -1.628 2.996 12.459 1.00 0.00 C ATOM 245 O ASP A 20 -1.491 2.751 11.260 1.00 0.00 O ATOM 246 CB ASP A 20 -3.976 2.121 12.365 1.00 0.00 C ATOM 247 CG ASP A 20 -5.413 2.613 12.474 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.685 3.698 11.918 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.212 1.894 13.112 1.00 0.00 O ATOM 0 H ASP A 20 -4.049 4.618 12.116 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.949 2.787 14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.697 2.032 11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.894 1.126 12.802 1.00 0.00 H new ATOM 254 N LEU A 21 -0.599 3.205 13.282 1.00 0.00 N ATOM 255 CA LEU A 21 0.788 3.170 12.820 1.00 0.00 C ATOM 256 C LEU A 21 1.028 2.047 11.808 1.00 0.00 C ATOM 257 O LEU A 21 1.674 2.255 10.782 1.00 0.00 O ATOM 258 CB LEU A 21 1.724 2.999 14.020 1.00 0.00 C ATOM 259 CG LEU A 21 1.467 1.736 14.869 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.774 1.040 15.237 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.680 2.077 16.128 1.00 0.00 C ATOM 0 H LEU A 21 -0.702 3.401 14.278 1.00 0.00 H new ATOM 0 HA LEU A 21 0.995 4.114 12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.752 2.974 13.660 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.632 3.875 14.662 1.00 0.00 H new ATOM 0 HG LEU A 21 0.874 1.050 14.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.559 0.154 15.835 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.298 0.746 14.328 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.400 1.722 15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.512 1.170 16.709 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.244 2.792 16.727 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.280 2.513 15.850 1.00 0.00 H new ATOM 273 N HIS A 22 0.502 0.857 12.117 1.00 0.00 N ATOM 274 CA HIS A 22 0.636 -0.314 11.250 1.00 0.00 C ATOM 275 C HIS A 22 0.261 0.044 9.800 1.00 0.00 C ATOM 276 O HIS A 22 1.094 -0.107 8.906 1.00 0.00 O ATOM 277 CB HIS A 22 -0.228 -1.468 11.774 1.00 0.00 C ATOM 278 CG HIS A 22 -0.194 -2.679 10.891 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.254 -3.967 11.381 1.00 0.00 N ATOM 280 CD2 HIS A 22 -0.092 -2.794 9.546 1.00 0.00 C ATOM 281 CE1 HIS A 22 -0.192 -4.822 10.375 1.00 0.00 C ATOM 282 NE2 HIS A 22 -0.095 -4.136 9.253 1.00 0.00 N ATOM 0 H HIS A 22 -0.026 0.681 12.972 1.00 0.00 H new ATOM 0 HA HIS A 22 1.676 -0.639 11.259 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.112 -1.744 12.772 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.258 -1.126 11.872 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.021 -1.983 8.836 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.217 -5.899 10.458 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.032 -4.538 8.317 1.00 0.00 H new ATOM 291 N LEU A 23 -0.974 0.496 9.577 1.00 0.00 N ATOM 292 CA LEU A 23 -1.449 0.841 8.237 1.00 0.00 C ATOM 293 C LEU A 23 -0.479 1.777 7.510 1.00 0.00 C ATOM 294 O LEU A 23 -0.032 1.490 6.401 1.00 0.00 O ATOM 295 CB LEU A 23 -2.829 1.494 8.334 1.00 0.00 C ATOM 296 CG LEU A 23 -3.943 0.577 8.884 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.733 -0.074 7.753 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.363 -0.492 9.804 1.00 0.00 C ATOM 0 H LEU A 23 -1.667 0.632 10.313 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.513 -0.080 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.755 2.374 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.121 1.842 7.343 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.625 1.201 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.510 -0.713 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.193 0.700 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.062 -0.674 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.167 -1.125 10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.650 -1.102 9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.857 -0.014 10.643 1.00 0.00 H new ATOM 310 N VAL A 24 -0.164 2.905 8.149 1.00 0.00 N ATOM 311 CA VAL A 24 0.736 3.883 7.576 1.00 0.00 C ATOM 312 C VAL A 24 2.065 3.223 7.236 1.00 0.00 C ATOM 313 O VAL A 24 2.598 3.420 6.146 1.00 0.00 O ATOM 314 CB VAL A 24 0.940 5.029 8.564 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.302 5.673 8.325 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.157 6.071 8.366 1.00 0.00 C ATOM 0 H VAL A 24 -0.526 3.156 9.069 1.00 0.00 H new ATOM 0 HA VAL A 24 0.305 4.284 6.659 1.00 0.00 H new ATOM 0 HB VAL A 24 0.896 4.642 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.447 6.491 9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.086 4.929 8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.348 6.060 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.013 6.890 9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.113 6.457 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.130 5.612 8.538 1.00 0.00 H new ATOM 326 N ASP A 25 2.600 2.437 8.173 1.00 0.00 N ATOM 327 CA ASP A 25 3.860 1.753 7.968 1.00 0.00 C ATOM 328 C ASP A 25 3.906 1.164 6.565 1.00 0.00 C ATOM 329 O ASP A 25 4.923 1.272 5.879 1.00 0.00 O ATOM 330 CB ASP A 25 4.021 0.658 9.019 1.00 0.00 C ATOM 331 CG ASP A 25 5.428 0.078 8.992 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.317 0.717 9.594 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.588 -0.993 8.367 1.00 0.00 O ATOM 0 H ASP A 25 2.171 2.264 9.082 1.00 0.00 H new ATOM 0 HA ASP A 25 4.682 2.461 8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.810 1.065 10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.294 -0.134 8.839 1.00 0.00 H new ATOM 338 N LEU A 26 2.805 0.543 6.142 1.00 0.00 N ATOM 339 CA LEU A 26 2.717 -0.077 4.820 1.00 0.00 C ATOM 340 C LEU A 26 2.914 0.942 3.695 1.00 0.00 C ATOM 341 O LEU A 26 3.772 0.776 2.831 1.00 0.00 O ATOM 342 CB LEU A 26 1.361 -0.769 4.666 1.00 0.00 C ATOM 343 CG LEU A 26 1.033 -1.806 5.761 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.609 -3.139 5.154 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.224 -2.006 6.693 1.00 0.00 C ATOM 0 H LEU A 26 1.956 0.456 6.700 1.00 0.00 H new ATOM 0 HA LEU A 26 3.519 -0.810 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.580 -0.009 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.330 -1.265 3.696 1.00 0.00 H new ATOM 0 HG LEU A 26 0.197 -1.416 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.385 -3.847 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.279 -2.993 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.417 -3.531 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.969 -2.741 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.080 -2.361 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.475 -1.059 7.171 1.00 0.00 H new ATOM 357 N ALA A 27 2.100 2.001 3.716 1.00 0.00 N ATOM 358 CA ALA A 27 2.171 3.040 2.709 1.00 0.00 C ATOM 359 C ALA A 27 3.535 3.713 2.758 1.00 0.00 C ATOM 360 O ALA A 27 4.214 3.820 1.740 1.00 0.00 O ATOM 361 CB ALA A 27 1.057 4.055 2.948 1.00 0.00 C ATOM 0 H ALA A 27 1.384 2.153 4.427 1.00 0.00 H new ATOM 0 HA ALA A 27 2.040 2.603 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.109 4.837 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.090 3.555 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.175 4.498 3.937 1.00 0.00 H new ATOM 367 N ARG A 28 3.935 4.168 3.947 1.00 0.00 N ATOM 368 CA ARG A 28 5.212 4.829 4.123 1.00 0.00 C ATOM 369 C ARG A 28 6.339 3.884 3.732 1.00 0.00 C ATOM 370 O ARG A 28 7.397 4.326 3.286 1.00 0.00 O ATOM 371 CB ARG A 28 5.359 5.272 5.577 1.00 0.00 C ATOM 372 CG ARG A 28 4.802 6.684 5.736 1.00 0.00 C ATOM 373 CD ARG A 28 5.939 7.695 5.616 1.00 0.00 C ATOM 374 NE ARG A 28 6.436 7.766 4.242 1.00 0.00 N ATOM 375 CZ ARG A 28 7.658 7.344 3.889 1.00 0.00 C ATOM 376 NH1 ARG A 28 8.481 6.830 4.811 1.00 0.00 N ATOM 377 NH2 ARG A 28 8.056 7.438 2.613 1.00 0.00 N ATOM 0 H ARG A 28 3.384 4.086 4.801 1.00 0.00 H new ATOM 0 HA ARG A 28 5.262 5.709 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.827 4.584 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.408 5.248 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.047 6.877 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.311 6.786 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.590 8.678 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.752 7.415 6.286 1.00 0.00 H new ATOM 0 HE ARG A 28 5.826 8.153 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.178 6.759 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.411 6.509 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.429 7.831 1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.986 7.117 2.344 1.00 0.00 H new ATOM 391 N PHE A 29 6.112 2.580 3.899 1.00 0.00 N ATOM 392 CA PHE A 29 7.107 1.582 3.562 1.00 0.00 C ATOM 393 C PHE A 29 7.331 1.562 2.057 1.00 0.00 C ATOM 394 O PHE A 29 8.470 1.542 1.596 1.00 0.00 O ATOM 395 CB PHE A 29 6.645 0.215 4.059 1.00 0.00 C ATOM 396 CG PHE A 29 7.255 -0.940 3.301 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.628 -0.954 3.032 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.446 -1.997 2.868 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.194 -2.026 2.331 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.011 -3.070 2.167 1.00 0.00 C ATOM 401 CZ PHE A 29 8.385 -3.084 1.898 1.00 0.00 C ATOM 0 H PHE A 29 5.241 2.197 4.268 1.00 0.00 H new ATOM 0 HA PHE A 29 8.052 1.829 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.895 0.118 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.559 0.157 3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.252 -0.138 3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.386 -1.985 3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.254 -2.037 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.387 -3.886 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.821 -3.911 1.357 1.00 0.00 H new ATOM 411 N ALA A 30 6.238 1.569 1.290 1.00 0.00 N ATOM 412 CA ALA A 30 6.318 1.552 -0.156 1.00 0.00 C ATOM 413 C ALA A 30 7.229 2.672 -0.636 1.00 0.00 C ATOM 414 O ALA A 30 8.301 2.414 -1.180 1.00 0.00 O ATOM 415 CB ALA A 30 4.918 1.703 -0.745 1.00 0.00 C ATOM 0 H ALA A 30 5.287 1.586 1.657 1.00 0.00 H new ATOM 0 HA ALA A 30 6.737 0.602 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.978 1.690 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.290 0.879 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.485 2.648 -0.416 1.00 0.00 H new ATOM 421 N VAL A 31 6.800 3.920 -0.432 1.00 0.00 N ATOM 422 CA VAL A 31 7.578 5.072 -0.844 1.00 0.00 C ATOM 423 C VAL A 31 9.028 4.892 -0.421 1.00 0.00 C ATOM 424 O VAL A 31 9.941 5.285 -1.145 1.00 0.00 O ATOM 425 CB VAL A 31 6.985 6.333 -0.221 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.686 7.561 -0.793 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.494 6.404 -0.539 1.00 0.00 C ATOM 0 H VAL A 31 5.914 4.150 0.018 1.00 0.00 H new ATOM 0 HA VAL A 31 7.547 5.169 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 31 7.125 6.305 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.263 8.462 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.751 7.510 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.546 7.590 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.070 7.304 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.353 6.432 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.993 5.527 -0.130 1.00 0.00 H new ATOM 437 N THR A 32 9.240 4.296 0.754 1.00 0.00 N ATOM 438 CA THR A 32 10.578 4.067 1.262 1.00 0.00 C ATOM 439 C THR A 32 11.302 3.060 0.381 1.00 0.00 C ATOM 440 O THR A 32 12.224 3.416 -0.348 1.00 0.00 O ATOM 441 CB THR A 32 10.496 3.568 2.701 1.00 0.00 C ATOM 442 OG1 THR A 32 9.957 4.582 3.521 1.00 0.00 O ATOM 443 CG2 THR A 32 11.893 3.204 3.194 1.00 0.00 C ATOM 0 H THR A 32 8.495 3.965 1.367 1.00 0.00 H new ATOM 0 HA THR A 32 11.141 5.000 1.246 1.00 0.00 H new ATOM 0 HB THR A 32 9.855 2.687 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.014 4.720 3.293 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.834 2.847 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.309 2.420 2.561 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.535 4.084 3.151 1.00 0.00 H new ATOM 451 N GLU A 33 10.881 1.795 0.453 1.00 0.00 N ATOM 452 CA GLU A 33 11.489 0.744 -0.337 1.00 0.00 C ATOM 453 C GLU A 33 11.728 1.234 -1.759 1.00 0.00 C ATOM 454 O GLU A 33 12.799 1.003 -2.318 1.00 0.00 O ATOM 455 CB GLU A 33 10.581 -0.483 -0.334 1.00 0.00 C ATOM 456 CG GLU A 33 11.190 -1.569 -1.217 1.00 0.00 C ATOM 457 CD GLU A 33 12.104 -2.478 -0.408 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.597 -3.066 0.572 1.00 0.00 O ATOM 459 OE2 GLU A 33 13.293 -2.567 -0.783 1.00 0.00 O ATOM 0 H GLU A 33 10.119 1.482 1.055 1.00 0.00 H new ATOM 0 HA GLU A 33 12.451 0.471 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.456 -0.854 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.589 -0.216 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.396 -2.159 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.754 -1.109 -2.029 1.00 0.00 H new ATOM 466 N HIS A 34 10.727 1.908 -2.334 1.00 0.00 N ATOM 467 CA HIS A 34 10.820 2.452 -3.691 1.00 0.00 C ATOM 468 C HIS A 34 11.943 3.502 -3.774 1.00 0.00 C ATOM 469 O HIS A 34 12.802 3.402 -4.647 1.00 0.00 O ATOM 470 CB HIS A 34 9.474 3.048 -4.120 1.00 0.00 C ATOM 471 CG HIS A 34 9.421 3.399 -5.576 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.284 3.257 -6.343 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.376 3.880 -6.408 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.541 3.633 -7.583 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.802 4.017 -7.648 1.00 0.00 N ATOM 0 H HIS A 34 9.835 2.091 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 34 11.066 1.642 -4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.680 2.335 -3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.275 3.943 -3.530 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.384 2.915 -6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.397 4.112 -6.145 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.839 3.627 -8.404 1.00 0.00 H new ATOM 484 N ASN A 35 11.922 4.499 -2.886 1.00 0.00 N ATOM 485 CA ASN A 35 12.926 5.544 -2.891 1.00 0.00 C ATOM 486 C ASN A 35 14.294 4.952 -2.586 1.00 0.00 C ATOM 487 O ASN A 35 15.319 5.566 -2.874 1.00 0.00 O ATOM 488 CB ASN A 35 12.555 6.607 -1.860 1.00 0.00 C ATOM 489 CG ASN A 35 11.321 7.382 -2.299 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.501 6.869 -3.057 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.190 8.620 -1.818 1.00 0.00 N ATOM 0 H ASN A 35 11.216 4.597 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 35 12.967 6.008 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.369 6.135 -0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.391 7.293 -1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.381 9.185 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.899 9.001 -1.191 1.00 0.00 H new ATOM 498 N LYS A 36 14.307 3.752 -2.001 1.00 0.00 N ATOM 499 CA LYS A 36 15.547 3.083 -1.661 1.00 0.00 C ATOM 500 C LYS A 36 16.248 2.616 -2.928 1.00 0.00 C ATOM 501 O LYS A 36 17.455 2.796 -3.077 1.00 0.00 O ATOM 502 CB LYS A 36 15.251 1.902 -0.740 1.00 0.00 C ATOM 503 CG LYS A 36 16.559 1.359 -0.174 1.00 0.00 C ATOM 504 CD LYS A 36 16.888 0.025 -0.839 1.00 0.00 C ATOM 505 CE LYS A 36 17.921 -0.721 -0.001 1.00 0.00 C ATOM 506 NZ LYS A 36 18.824 -1.509 -0.855 1.00 0.00 N ATOM 0 H LYS A 36 13.466 3.229 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 36 16.207 3.777 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.594 2.215 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.728 1.120 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.366 2.072 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.474 1.228 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.984 -0.576 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.273 0.193 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.500 -0.009 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.415 -1.380 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.517 -2.007 -0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.271 -2.203 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.323 -0.875 -1.511 1.00 0.00 H new ATOM 520 N LYS A 37 15.487 2.013 -3.844 1.00 0.00 N ATOM 521 CA LYS A 37 16.037 1.524 -5.092 1.00 0.00 C ATOM 522 C LYS A 37 15.984 2.620 -6.147 1.00 0.00 C ATOM 523 O LYS A 37 17.009 2.990 -6.714 1.00 0.00 O ATOM 524 CB LYS A 37 15.252 0.297 -5.548 1.00 0.00 C ATOM 525 CG LYS A 37 15.787 -0.942 -4.836 1.00 0.00 C ATOM 526 CD LYS A 37 17.092 -1.382 -5.492 1.00 0.00 C ATOM 527 CE LYS A 37 17.121 -2.904 -5.596 1.00 0.00 C ATOM 528 NZ LYS A 37 18.253 -3.356 -6.421 1.00 0.00 N ATOM 0 H LYS A 37 14.485 1.855 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 37 17.079 1.239 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.192 0.427 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.340 0.176 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.953 -0.725 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.054 -1.747 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.181 -0.937 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.942 -1.030 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.197 -3.339 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.186 -3.260 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.250 -4.395 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.166 -2.959 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.145 -3.035 -5.993 1.00 0.00 H new ATOM 542 N ALA A 38 14.781 3.138 -6.408 1.00 0.00 N ATOM 543 CA ALA A 38 14.598 4.186 -7.392 1.00 0.00 C ATOM 544 C ALA A 38 15.251 5.472 -6.903 1.00 0.00 C ATOM 545 O ALA A 38 14.915 6.558 -7.370 1.00 0.00 O ATOM 546 CB ALA A 38 13.107 4.396 -7.639 1.00 0.00 C ATOM 0 H ALA A 38 13.922 2.841 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 38 15.071 3.896 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.968 5.184 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.665 3.470 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.621 4.684 -6.707 1.00 0.00 H new ATOM 552 N ASN A 39 16.187 5.347 -5.959 1.00 0.00 N ATOM 553 CA ASN A 39 16.879 6.496 -5.414 1.00 0.00 C ATOM 554 C ASN A 39 15.891 7.626 -5.162 1.00 0.00 C ATOM 555 O ASN A 39 16.211 8.794 -5.371 1.00 0.00 O ATOM 556 CB ASN A 39 17.969 6.939 -6.385 1.00 0.00 C ATOM 557 CG ASN A 39 19.248 6.143 -6.165 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.811 5.597 -7.112 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.708 6.082 -4.914 1.00 0.00 N ATOM 0 H ASN A 39 16.477 4.454 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 39 17.342 6.228 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.624 6.805 -7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.170 8.002 -6.252 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.563 5.565 -4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.204 6.552 -4.162 1.00 0.00 H new ATOM 566 N SER A 40 14.685 7.273 -4.709 1.00 0.00 N ATOM 567 CA SER A 40 13.659 8.257 -4.430 1.00 0.00 C ATOM 568 C SER A 40 13.197 8.906 -5.727 1.00 0.00 C ATOM 569 O SER A 40 13.972 9.018 -6.678 1.00 0.00 O ATOM 570 CB SER A 40 14.207 9.305 -3.466 1.00 0.00 C ATOM 571 OG SER A 40 15.082 8.687 -2.550 1.00 0.00 O ATOM 0 H SER A 40 14.404 6.309 -4.530 1.00 0.00 H new ATOM 0 HA SER A 40 12.801 7.770 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.732 10.084 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.388 9.789 -2.934 1.00 0.00 H new ATOM 0 HG SER A 40 15.436 9.359 -1.931 1.00 0.00 H new ATOM 577 N LEU A 41 11.935 9.333 -5.764 1.00 0.00 N ATOM 578 CA LEU A 41 11.359 9.964 -6.951 1.00 0.00 C ATOM 579 C LEU A 41 10.112 10.786 -6.613 1.00 0.00 C ATOM 580 O LEU A 41 9.490 11.385 -7.492 1.00 0.00 O ATOM 581 CB LEU A 41 11.011 8.892 -7.987 1.00 0.00 C ATOM 582 CG LEU A 41 9.622 8.244 -7.808 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.519 6.932 -8.582 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.316 8.010 -6.333 1.00 0.00 C ATOM 0 H LEU A 41 11.288 9.252 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 41 12.103 10.648 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.063 9.337 -8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.769 8.110 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 41 8.883 8.937 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.529 6.500 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.679 7.122 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.276 6.236 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.332 7.553 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.069 7.347 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.328 8.963 -5.803 1.00 0.00 H new ATOM 596 N LEU A 42 9.753 10.803 -5.329 1.00 0.00 N ATOM 597 CA LEU A 42 8.575 11.530 -4.857 1.00 0.00 C ATOM 598 C LEU A 42 8.755 12.044 -3.426 1.00 0.00 C ATOM 599 O LEU A 42 9.821 11.901 -2.830 1.00 0.00 O ATOM 600 CB LEU A 42 7.345 10.621 -4.933 1.00 0.00 C ATOM 601 CG LEU A 42 6.188 11.169 -5.793 1.00 0.00 C ATOM 602 CD1 LEU A 42 5.834 12.602 -5.400 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.531 11.101 -7.276 1.00 0.00 C ATOM 0 H LEU A 42 10.266 10.318 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 42 8.437 12.397 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.650 9.654 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.977 10.446 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 42 5.318 10.539 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.015 12.959 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.530 12.628 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.704 13.243 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.699 11.493 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.423 11.696 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.717 10.065 -7.559 1.00 0.00 H new ATOM 615 N GLU A 43 7.697 12.651 -2.884 1.00 0.00 N ATOM 616 CA GLU A 43 7.732 13.189 -1.539 1.00 0.00 C ATOM 617 C GLU A 43 6.413 12.908 -0.833 1.00 0.00 C ATOM 618 O GLU A 43 5.443 13.644 -1.005 1.00 0.00 O ATOM 619 CB GLU A 43 8.005 14.688 -1.599 1.00 0.00 C ATOM 620 CG GLU A 43 8.481 15.174 -0.233 1.00 0.00 C ATOM 621 CD GLU A 43 9.520 16.275 -0.380 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.129 17.367 -0.845 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.687 16.005 -0.023 1.00 0.00 O ATOM 0 H GLU A 43 6.806 12.778 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 43 8.531 12.709 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.760 14.901 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.101 15.222 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.632 15.544 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.905 14.340 0.326 1.00 0.00 H new ATOM 630 N PHE A 44 6.378 11.838 -0.035 1.00 0.00 N ATOM 631 CA PHE A 44 5.181 11.467 0.692 1.00 0.00 C ATOM 632 C PHE A 44 4.696 12.646 1.524 1.00 0.00 C ATOM 633 O PHE A 44 5.462 13.227 2.289 1.00 0.00 O ATOM 634 CB PHE A 44 5.481 10.264 1.581 1.00 0.00 C ATOM 635 CG PHE A 44 4.365 9.934 2.545 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.290 9.142 2.126 1.00 0.00 C ATOM 637 CD2 PHE A 44 4.405 10.423 3.856 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.255 8.838 3.019 1.00 0.00 C ATOM 639 CE2 PHE A 44 3.371 10.119 4.748 1.00 0.00 C ATOM 640 CZ PHE A 44 2.295 9.327 4.330 1.00 0.00 C ATOM 0 H PHE A 44 7.173 11.217 0.118 1.00 0.00 H new ATOM 0 HA PHE A 44 4.393 11.196 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.675 9.396 0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.393 10.458 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.259 8.765 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.234 11.035 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.426 8.226 2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.403 10.496 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.496 9.093 5.018 1.00 0.00 H new ATOM 650 N GLU A 45 3.417 12.999 1.371 1.00 0.00 N ATOM 651 CA GLU A 45 2.839 14.105 2.110 1.00 0.00 C ATOM 652 C GLU A 45 2.030 13.577 3.286 1.00 0.00 C ATOM 653 O GLU A 45 2.213 14.016 4.419 1.00 0.00 O ATOM 654 CB GLU A 45 1.960 14.932 1.177 1.00 0.00 C ATOM 655 CG GLU A 45 1.013 15.798 2.004 1.00 0.00 C ATOM 656 CD GLU A 45 0.995 17.229 1.486 1.00 0.00 C ATOM 657 OE1 GLU A 45 2.020 17.916 1.682 1.00 0.00 O ATOM 658 OE2 GLU A 45 -0.045 17.607 0.904 1.00 0.00 O ATOM 0 H GLU A 45 2.768 12.529 0.739 1.00 0.00 H new ATOM 0 HA GLU A 45 3.634 14.741 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.580 15.561 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.389 14.275 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.007 15.381 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.324 15.789 3.049 1.00 0.00 H new ATOM 665 N LYS A 46 1.130 12.628 3.014 1.00 0.00 N ATOM 666 CA LYS A 46 0.299 12.045 4.047 1.00 0.00 C ATOM 667 C LYS A 46 -0.530 10.908 3.467 1.00 0.00 C ATOM 668 O LYS A 46 -0.381 10.566 2.293 1.00 0.00 O ATOM 669 CB LYS A 46 -0.604 13.122 4.641 1.00 0.00 C ATOM 670 CG LYS A 46 -1.636 13.550 3.600 1.00 0.00 C ATOM 671 CD LYS A 46 -2.635 14.510 4.239 1.00 0.00 C ATOM 672 CE LYS A 46 -4.020 14.276 3.641 1.00 0.00 C ATOM 673 NZ LYS A 46 -5.059 14.944 4.440 1.00 0.00 N ATOM 0 H LYS A 46 0.965 12.252 2.080 1.00 0.00 H new ATOM 0 HA LYS A 46 0.930 11.640 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.105 12.742 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.008 13.980 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.140 14.032 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.156 12.676 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.663 14.358 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.324 15.541 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.046 14.651 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.224 13.206 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.991 14.770 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.047 14.568 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.875 15.967 4.463 1.00 0.00 H new ATOM 687 N LEU A 47 -1.400 10.323 4.290 1.00 0.00 N ATOM 688 CA LEU A 47 -2.250 9.211 3.866 1.00 0.00 C ATOM 689 C LEU A 47 -3.730 9.598 3.844 1.00 0.00 C ATOM 690 O LEU A 47 -4.179 10.441 4.619 1.00 0.00 O ATOM 691 CB LEU A 47 -2.038 8.018 4.802 1.00 0.00 C ATOM 692 CG LEU A 47 -3.168 6.968 4.780 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.026 6.023 3.591 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.200 6.174 6.081 1.00 0.00 C ATOM 0 H LEU A 47 -1.535 10.604 5.261 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.966 8.942 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.101 7.528 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.926 8.389 5.821 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.110 7.506 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.838 5.296 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.068 6.595 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.071 5.502 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.005 5.441 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.248 5.661 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.369 6.852 6.917 1.00 0.00 H new ATOM 706 N VAL A 48 -4.485 8.972 2.937 1.00 0.00 N ATOM 707 CA VAL A 48 -5.901 9.244 2.800 1.00 0.00 C ATOM 708 C VAL A 48 -6.706 8.115 3.427 1.00 0.00 C ATOM 709 O VAL A 48 -7.395 8.319 4.423 1.00 0.00 O ATOM 710 CB VAL A 48 -6.249 9.401 1.323 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.559 10.171 1.187 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.132 10.167 0.617 1.00 0.00 C ATOM 0 H VAL A 48 -4.128 8.271 2.288 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.148 10.171 3.317 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.359 8.416 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.807 10.283 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.356 9.625 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.451 11.156 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.379 10.280 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.022 11.152 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.196 9.617 0.714 1.00 0.00 H new ATOM 722 N SER A 49 -6.616 6.919 2.840 1.00 0.00 N ATOM 723 CA SER A 49 -7.333 5.766 3.344 1.00 0.00 C ATOM 724 C SER A 49 -6.576 4.492 2.995 1.00 0.00 C ATOM 725 O SER A 49 -5.486 4.551 2.429 1.00 0.00 O ATOM 726 CB SER A 49 -8.738 5.740 2.747 1.00 0.00 C ATOM 727 OG SER A 49 -9.617 6.456 3.585 1.00 0.00 O ATOM 0 H SER A 49 -6.049 6.733 2.013 1.00 0.00 H new ATOM 0 HA SER A 49 -7.414 5.831 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.729 6.180 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.080 4.711 2.638 1.00 0.00 H new ATOM 0 HG SER A 49 -9.129 7.182 4.026 1.00 0.00 H new ATOM 733 N VAL A 50 -7.156 3.340 3.334 1.00 0.00 N ATOM 734 CA VAL A 50 -6.536 2.059 3.055 1.00 0.00 C ATOM 735 C VAL A 50 -7.589 0.960 3.084 1.00 0.00 C ATOM 736 O VAL A 50 -8.555 1.042 3.840 1.00 0.00 O ATOM 737 CB VAL A 50 -5.443 1.790 4.084 1.00 0.00 C ATOM 738 CG1 VAL A 50 -6.047 1.809 5.485 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.820 0.423 3.817 1.00 0.00 C ATOM 0 H VAL A 50 -8.059 3.276 3.804 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.085 2.076 2.063 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.676 2.560 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.266 1.617 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.493 2.785 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.814 1.039 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.039 0.230 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.587 -0.347 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.388 0.409 2.816 1.00 0.00 H new ATOM 749 N LYS A 51 -7.400 -0.071 2.259 1.00 0.00 N ATOM 750 CA LYS A 51 -8.333 -1.179 2.196 1.00 0.00 C ATOM 751 C LYS A 51 -7.659 -2.451 2.691 1.00 0.00 C ATOM 752 O LYS A 51 -6.494 -2.430 3.081 1.00 0.00 O ATOM 753 CB LYS A 51 -8.823 -1.349 0.762 1.00 0.00 C ATOM 754 CG LYS A 51 -10.076 -0.505 0.550 1.00 0.00 C ATOM 755 CD LYS A 51 -9.825 0.507 -0.565 1.00 0.00 C ATOM 756 CE LYS A 51 -11.133 0.794 -1.296 1.00 0.00 C ATOM 757 NZ LYS A 51 -11.220 0.023 -2.546 1.00 0.00 N ATOM 0 H LYS A 51 -6.604 -0.155 1.626 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.190 -0.974 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.045 -1.046 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.040 -2.398 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.919 -1.145 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.340 0.012 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.419 1.429 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.084 0.118 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.976 0.545 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.204 1.859 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.119 0.236 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.428 0.280 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.175 -0.993 -2.331 1.00 0.00 H new ATOM 771 N GLN A 52 -8.396 -3.564 2.671 1.00 0.00 N ATOM 772 CA GLN A 52 -7.869 -4.839 3.117 1.00 0.00 C ATOM 773 C GLN A 52 -8.445 -5.961 2.267 1.00 0.00 C ATOM 774 O GLN A 52 -9.660 -6.058 2.101 1.00 0.00 O ATOM 775 CB GLN A 52 -8.214 -5.043 4.589 1.00 0.00 C ATOM 776 CG GLN A 52 -9.718 -4.874 4.788 1.00 0.00 C ATOM 777 CD GLN A 52 -10.099 -5.078 6.247 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.967 -4.381 6.768 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.445 -6.036 6.908 1.00 0.00 N ATOM 0 H GLN A 52 -9.363 -3.599 2.348 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.785 -4.848 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.903 -6.037 4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.672 -4.324 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.022 -3.879 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.254 -5.590 4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.732 -6.589 6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.658 -6.215 7.889 1.00 0.00 H new ATOM 788 N GLN A 53 -7.570 -6.814 1.728 1.00 0.00 N ATOM 789 CA GLN A 53 -7.995 -7.923 0.900 1.00 0.00 C ATOM 790 C GLN A 53 -7.517 -9.235 1.507 1.00 0.00 C ATOM 791 O GLN A 53 -6.431 -9.297 2.080 1.00 0.00 O ATOM 792 CB GLN A 53 -7.438 -7.746 -0.510 1.00 0.00 C ATOM 793 CG GLN A 53 -7.908 -8.899 -1.393 1.00 0.00 C ATOM 794 CD GLN A 53 -8.738 -8.386 -2.560 1.00 0.00 C ATOM 795 OE1 GLN A 53 -8.429 -8.668 -3.716 1.00 0.00 O ATOM 796 NE2 GLN A 53 -9.794 -7.629 -2.256 1.00 0.00 N ATOM 0 H GLN A 53 -6.560 -6.749 1.857 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.084 -7.946 0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.771 -6.796 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.349 -7.717 -0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.045 -9.449 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.499 -9.598 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.010 -7.423 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.385 -7.257 -2.999 1.00 0.00 H new ATOM 805 N VAL A 54 -8.331 -10.285 1.379 1.00 0.00 N ATOM 806 CA VAL A 54 -7.989 -11.588 1.914 1.00 0.00 C ATOM 807 C VAL A 54 -7.808 -12.580 0.775 1.00 0.00 C ATOM 808 O VAL A 54 -8.731 -12.812 -0.001 1.00 0.00 O ATOM 809 CB VAL A 54 -9.088 -12.051 2.866 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.444 -11.930 2.174 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.844 -13.505 3.256 1.00 0.00 C ATOM 0 H VAL A 54 -9.234 -10.249 0.906 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.052 -11.525 2.467 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.080 -11.429 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.230 -12.261 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.619 -10.891 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.453 -12.552 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.629 -13.836 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.852 -14.128 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.876 -13.592 3.750 1.00 0.00 H new ATOM 821 N VAL A 55 -6.613 -13.167 0.678 1.00 0.00 N ATOM 822 CA VAL A 55 -6.317 -14.131 -0.364 1.00 0.00 C ATOM 823 C VAL A 55 -5.236 -15.090 0.114 1.00 0.00 C ATOM 824 O VAL A 55 -5.443 -15.836 1.069 1.00 0.00 O ATOM 825 CB VAL A 55 -5.868 -13.394 -1.623 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.065 -12.692 -2.256 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.807 -12.361 -1.257 1.00 0.00 C ATOM 0 H VAL A 55 -5.837 -12.985 1.315 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.211 -14.709 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.450 -14.108 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.744 -12.166 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.823 -13.430 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.484 -11.978 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.486 -11.835 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.224 -11.646 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.951 -12.863 -0.806 1.00 0.00 H new ATOM 837 N ALA A 56 -4.079 -15.068 -0.551 1.00 0.00 N ATOM 838 CA ALA A 56 -2.974 -15.934 -0.192 1.00 0.00 C ATOM 839 C ALA A 56 -2.237 -15.359 1.009 1.00 0.00 C ATOM 840 O ALA A 56 -1.096 -15.726 1.275 1.00 0.00 O ATOM 841 CB ALA A 56 -2.034 -16.079 -1.386 1.00 0.00 C ATOM 0 H ALA A 56 -3.891 -14.454 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.352 -16.920 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.202 -16.730 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.577 -16.512 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.651 -15.099 -1.668 1.00 0.00 H new ATOM 847 N GLY A 57 -2.895 -14.453 1.736 1.00 0.00 N ATOM 848 CA GLY A 57 -2.298 -13.834 2.902 1.00 0.00 C ATOM 849 C GLY A 57 -3.136 -12.648 3.358 1.00 0.00 C ATOM 850 O GLY A 57 -4.358 -12.744 3.448 1.00 0.00 O ATOM 0 H GLY A 57 -3.843 -14.137 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.218 -14.563 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.286 -13.504 2.669 1.00 0.00 H new ATOM 854 N THR A 58 -2.474 -11.525 3.647 1.00 0.00 N ATOM 855 CA THR A 58 -3.160 -10.330 4.091 1.00 0.00 C ATOM 856 C THR A 58 -2.666 -9.125 3.302 1.00 0.00 C ATOM 857 O THR A 58 -1.567 -8.626 3.547 1.00 0.00 O ATOM 858 CB THR A 58 -2.920 -10.131 5.585 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.512 -11.192 6.300 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.541 -8.810 6.029 1.00 0.00 C ATOM 0 H THR A 58 -1.461 -11.428 3.578 1.00 0.00 H new ATOM 0 HA THR A 58 -4.231 -10.438 3.918 1.00 0.00 H new ATOM 0 HB THR A 58 -1.848 -10.112 5.782 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.357 -11.066 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.370 -8.668 7.096 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.085 -7.989 5.476 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.613 -8.828 5.833 1.00 0.00 H new ATOM 868 N LEU A 59 -3.481 -8.660 2.355 1.00 0.00 N ATOM 869 CA LEU A 59 -3.129 -7.517 1.513 1.00 0.00 C ATOM 870 C LEU A 59 -3.863 -6.243 1.941 1.00 0.00 C ATOM 871 O LEU A 59 -5.020 -6.286 2.355 1.00 0.00 O ATOM 872 CB LEU A 59 -3.450 -7.836 0.051 1.00 0.00 C ATOM 873 CG LEU A 59 -2.652 -7.013 -0.982 1.00 0.00 C ATOM 874 CD1 LEU A 59 -1.408 -6.391 -0.354 1.00 0.00 C ATOM 875 CD2 LEU A 59 -2.261 -7.874 -2.178 1.00 0.00 C ATOM 0 H LEU A 59 -4.396 -9.061 2.151 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.060 -7.335 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.261 -8.895 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.514 -7.670 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.299 -6.207 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.868 -5.818 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.703 -5.731 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.763 -7.180 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.700 -7.271 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.643 -8.706 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.160 -8.261 -2.658 1.00 0.00 H new ATOM 887 N TYR A 60 -3.170 -5.107 1.841 1.00 0.00 N ATOM 888 CA TYR A 60 -3.740 -3.829 2.217 1.00 0.00 C ATOM 889 C TYR A 60 -3.484 -2.805 1.121 1.00 0.00 C ATOM 890 O TYR A 60 -2.338 -2.573 0.740 1.00 0.00 O ATOM 891 CB TYR A 60 -3.129 -3.371 3.539 1.00 0.00 C ATOM 892 CG TYR A 60 -3.517 -4.236 4.715 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.854 -4.302 5.123 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.539 -4.972 5.395 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.214 -5.105 6.213 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.899 -5.775 6.484 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.237 -5.841 6.893 1.00 0.00 C ATOM 898 OH TYR A 60 -4.587 -6.622 7.954 1.00 0.00 O ATOM 0 H TYR A 60 -2.210 -5.055 1.500 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.818 -3.931 2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.043 -3.365 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.437 -2.344 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.608 -3.734 4.598 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.507 -4.920 5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.246 -5.156 6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.145 -6.343 7.009 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.505 -6.944 7.835 1.00 0.00 H new ATOM 908 N TYR A 61 -4.554 -2.192 0.614 1.00 0.00 N ATOM 909 CA TYR A 61 -4.439 -1.199 -0.436 1.00 0.00 C ATOM 910 C TYR A 61 -4.524 0.198 0.164 1.00 0.00 C ATOM 911 O TYR A 61 -5.616 0.704 0.413 1.00 0.00 O ATOM 912 CB TYR A 61 -5.549 -1.415 -1.462 1.00 0.00 C ATOM 913 CG TYR A 61 -5.546 -2.797 -2.069 1.00 0.00 C ATOM 914 CD1 TYR A 61 -5.765 -3.919 -1.259 1.00 0.00 C ATOM 915 CD2 TYR A 61 -5.326 -2.959 -3.442 1.00 0.00 C ATOM 916 CE1 TYR A 61 -5.763 -5.200 -1.822 1.00 0.00 C ATOM 917 CE2 TYR A 61 -5.323 -4.241 -4.005 1.00 0.00 C ATOM 918 CZ TYR A 61 -5.542 -5.361 -3.195 1.00 0.00 C ATOM 919 OH TYR A 61 -5.539 -6.610 -3.743 1.00 0.00 O ATOM 0 H TYR A 61 -5.510 -2.372 0.920 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.475 -1.301 -0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.513 -1.238 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.446 -0.677 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.935 -3.795 -0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.158 -2.095 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.932 -6.065 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.152 -4.365 -5.064 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.372 -6.544 -4.706 1.00 0.00 H new ATOM 929 N PHE A 62 -3.366 0.820 0.394 1.00 0.00 N ATOM 930 CA PHE A 62 -3.317 2.152 0.963 1.00 0.00 C ATOM 931 C PHE A 62 -3.380 3.190 -0.150 1.00 0.00 C ATOM 932 O PHE A 62 -2.767 3.016 -1.201 1.00 0.00 O ATOM 933 CB PHE A 62 -2.035 2.309 1.778 1.00 0.00 C ATOM 934 CG PHE A 62 -1.848 1.232 2.819 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.277 0.005 2.462 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.249 1.460 4.141 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.106 -0.995 3.428 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.077 0.460 5.107 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.506 -0.767 4.750 1.00 0.00 C ATOM 0 H PHE A 62 -2.452 0.415 0.192 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.172 2.303 1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.180 2.302 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.043 3.282 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.968 -0.171 1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.691 2.406 4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.666 -1.942 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.385 0.636 6.127 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.374 -1.538 5.495 1.00 0.00 H new ATOM 949 N THR A 63 -4.123 4.274 0.086 1.00 0.00 N ATOM 950 CA THR A 63 -4.260 5.330 -0.896 1.00 0.00 C ATOM 951 C THR A 63 -3.752 6.644 -0.318 1.00 0.00 C ATOM 952 O THR A 63 -4.536 7.463 0.155 1.00 0.00 O ATOM 953 CB THR A 63 -5.723 5.453 -1.310 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.171 4.218 -1.821 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.860 6.527 -2.386 1.00 0.00 C ATOM 0 H THR A 63 -4.636 4.435 0.953 1.00 0.00 H new ATOM 0 HA THR A 63 -3.665 5.090 -1.777 1.00 0.00 H new ATOM 0 HB THR A 63 -6.324 5.729 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.111 4.295 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.905 6.615 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.513 7.482 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.260 6.252 -3.253 1.00 0.00 H new ATOM 963 N ILE A 64 -2.432 6.843 -0.358 1.00 0.00 N ATOM 964 CA ILE A 64 -1.822 8.051 0.157 1.00 0.00 C ATOM 965 C ILE A 64 -1.513 9.002 -0.991 1.00 0.00 C ATOM 966 O ILE A 64 -1.513 8.598 -2.151 1.00 0.00 O ATOM 967 CB ILE A 64 -0.551 7.694 0.922 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.573 7.402 -0.067 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.806 6.459 1.782 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.377 6.011 -0.664 1.00 0.00 C ATOM 0 H ILE A 64 -1.769 6.172 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.511 8.548 0.839 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.264 8.529 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.579 8.151 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.538 7.461 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.101 6.203 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.609 6.667 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.092 5.624 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.180 5.802 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.392 5.268 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.582 5.969 -1.181 1.00 0.00 H new ATOM 982 N GLU A 65 -1.249 10.270 -0.665 1.00 0.00 N ATOM 983 CA GLU A 65 -0.939 11.266 -1.670 1.00 0.00 C ATOM 984 C GLU A 65 0.480 11.779 -1.472 1.00 0.00 C ATOM 985 O GLU A 65 0.881 12.093 -0.354 1.00 0.00 O ATOM 986 CB GLU A 65 -1.946 12.409 -1.578 1.00 0.00 C ATOM 987 CG GLU A 65 -1.431 13.606 -2.372 1.00 0.00 C ATOM 988 CD GLU A 65 -1.378 14.853 -1.503 1.00 0.00 C ATOM 989 OE1 GLU A 65 -1.042 14.700 -0.309 1.00 0.00 O ATOM 990 OE2 GLU A 65 -1.674 15.939 -2.048 1.00 0.00 O ATOM 0 H GLU A 65 -1.246 10.623 0.292 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.005 10.819 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.912 12.089 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.100 12.689 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.437 13.388 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.079 13.784 -3.230 1.00 0.00 H new ATOM 997 N VAL A 66 1.242 11.867 -2.566 1.00 0.00 N ATOM 998 CA VAL A 66 2.609 12.341 -2.510 1.00 0.00 C ATOM 999 C VAL A 66 2.895 13.230 -3.712 1.00 0.00 C ATOM 1000 O VAL A 66 2.477 12.925 -4.827 1.00 0.00 O ATOM 1001 CB VAL A 66 3.560 11.148 -2.483 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.023 10.092 -1.520 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.668 10.551 -3.883 1.00 0.00 C ATOM 0 H VAL A 66 0.924 11.612 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 66 2.758 12.928 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 66 4.545 11.476 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.702 9.239 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.945 10.518 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.038 9.764 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.347 9.699 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.683 10.223 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.051 11.305 -4.571 1.00 0.00 H new ATOM 1013 N LYS A 67 3.608 14.335 -3.483 1.00 0.00 N ATOM 1014 CA LYS A 67 3.946 15.260 -4.546 1.00 0.00 C ATOM 1015 C LYS A 67 5.449 15.250 -4.786 1.00 0.00 C ATOM 1016 O LYS A 67 6.222 14.917 -3.889 1.00 0.00 O ATOM 1017 CB LYS A 67 3.467 16.660 -4.171 1.00 0.00 C ATOM 1018 CG LYS A 67 4.319 17.197 -3.025 1.00 0.00 C ATOM 1019 CD LYS A 67 3.572 17.018 -1.707 1.00 0.00 C ATOM 1020 CE LYS A 67 3.952 18.143 -0.748 1.00 0.00 C ATOM 1021 NZ LYS A 67 3.057 19.299 -0.911 1.00 0.00 N ATOM 0 H LYS A 67 3.960 14.604 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 67 3.452 14.954 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.537 17.323 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.418 16.631 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.273 16.670 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.543 18.251 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.496 17.024 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.818 16.052 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.903 17.782 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.983 18.448 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.616 20.176 -0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.554 19.223 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.367 19.317 -0.133 1.00 0.00 H new ATOM 1035 N GLU A 68 5.862 15.616 -6.002 1.00 0.00 N ATOM 1036 CA GLU A 68 7.269 15.647 -6.350 1.00 0.00 C ATOM 1037 C GLU A 68 7.639 17.022 -6.888 1.00 0.00 C ATOM 1038 O GLU A 68 6.875 17.974 -6.751 1.00 0.00 O ATOM 1039 CB GLU A 68 7.558 14.565 -7.387 1.00 0.00 C ATOM 1040 CG GLU A 68 9.053 14.260 -7.399 1.00 0.00 C ATOM 1041 CD GLU A 68 9.523 13.904 -8.802 1.00 0.00 C ATOM 1042 OE1 GLU A 68 8.872 13.031 -9.415 1.00 0.00 O ATOM 1043 OE2 GLU A 68 10.524 14.514 -9.237 1.00 0.00 O ATOM 0 H GLU A 68 5.235 15.894 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 68 7.871 15.453 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.993 13.662 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.235 14.896 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.608 15.124 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.265 13.435 -6.720 1.00 0.00 H new ATOM 1050 N GLY A 69 8.819 17.123 -7.504 1.00 0.00 N ATOM 1051 CA GLY A 69 9.284 18.379 -8.058 1.00 0.00 C ATOM 1052 C GLY A 69 8.139 19.106 -8.748 1.00 0.00 C ATOM 1053 O GLY A 69 7.864 20.266 -8.451 1.00 0.00 O ATOM 0 H GLY A 69 9.465 16.343 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.696 19.004 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.089 18.195 -8.770 1.00 0.00 H new ATOM 1057 N ASP A 70 7.469 18.418 -9.676 1.00 0.00 N ATOM 1058 CA ASP A 70 6.359 18.998 -10.406 1.00 0.00 C ATOM 1059 C ASP A 70 5.200 18.013 -10.447 1.00 0.00 C ATOM 1060 O ASP A 70 4.374 18.064 -11.357 1.00 0.00 O ATOM 1061 CB ASP A 70 6.813 19.360 -11.817 1.00 0.00 C ATOM 1062 CG ASP A 70 7.480 20.728 -11.840 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.661 20.790 -11.434 1.00 0.00 O ATOM 1064 OD2 ASP A 70 6.798 21.685 -12.262 1.00 0.00 O ATOM 0 H ASP A 70 7.684 17.455 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 70 6.021 19.905 -9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.509 18.606 -12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.956 19.358 -12.491 1.00 0.00 H new ATOM 1069 N ALA A 71 5.139 17.117 -9.460 1.00 0.00 N ATOM 1070 CA ALA A 71 4.083 16.127 -9.391 1.00 0.00 C ATOM 1071 C ALA A 71 3.314 16.284 -8.086 1.00 0.00 C ATOM 1072 O ALA A 71 3.793 16.927 -7.155 1.00 0.00 O ATOM 1073 CB ALA A 71 4.690 14.730 -9.497 1.00 0.00 C ATOM 0 H ALA A 71 5.815 17.064 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 71 3.388 16.271 -10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.897 13.984 -9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.218 14.634 -10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.389 14.574 -8.676 1.00 0.00 H new ATOM 1079 N LYS A 72 2.120 15.692 -8.021 1.00 0.00 N ATOM 1080 CA LYS A 72 1.294 15.770 -6.834 1.00 0.00 C ATOM 1081 C LYS A 72 -0.023 15.044 -7.071 1.00 0.00 C ATOM 1082 O LYS A 72 -0.916 15.569 -7.735 1.00 0.00 O ATOM 1083 CB LYS A 72 1.047 17.235 -6.481 1.00 0.00 C ATOM 1084 CG LYS A 72 0.087 17.318 -5.298 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.806 18.546 -5.453 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.590 19.484 -4.269 1.00 0.00 C ATOM 1087 NZ LYS A 72 -1.264 20.773 -4.489 1.00 0.00 N ATOM 0 H LYS A 72 1.710 15.153 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 72 1.806 15.290 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.989 17.724 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.630 17.762 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.523 16.416 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.647 17.378 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.576 19.061 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.852 18.244 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.971 19.021 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.477 19.648 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.102 21.393 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.882 21.223 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.285 20.615 -4.607 1.00 0.00 H new ATOM 1101 N LYS A 73 -0.144 13.832 -6.524 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.349 13.041 -6.678 1.00 0.00 C ATOM 1103 C LYS A 73 -1.412 11.977 -5.592 1.00 0.00 C ATOM 1104 O LYS A 73 -0.803 12.132 -4.532 1.00 0.00 O ATOM 1105 CB LYS A 73 -1.362 12.401 -8.063 1.00 0.00 C ATOM 1106 CG LYS A 73 -0.031 11.697 -8.311 1.00 0.00 C ATOM 1107 CD LYS A 73 0.563 12.182 -9.631 1.00 0.00 C ATOM 1108 CE LYS A 73 -0.140 11.485 -10.792 1.00 0.00 C ATOM 1109 NZ LYS A 73 -0.696 12.465 -11.737 1.00 0.00 N ATOM 0 H LYS A 73 0.585 13.383 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.224 13.683 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.182 11.687 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.531 13.162 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.659 11.902 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.178 10.617 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.448 13.262 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.632 11.971 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.564 10.834 -11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.939 10.850 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.169 11.965 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.385 13.069 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.072 13.054 -12.118 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.147 10.897 -5.857 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.304 9.803 -4.899 1.00 0.00 C ATOM 1125 C LEU A 74 -1.816 8.469 -5.468 1.00 0.00 C ATOM 1126 O LEU A 74 -2.112 8.118 -6.608 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.774 9.689 -4.487 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.688 9.013 -5.530 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -6.078 8.745 -4.959 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.794 9.861 -6.793 1.00 0.00 C ATOM 0 H LEU A 74 -2.647 10.756 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.690 10.031 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.833 9.127 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.158 10.688 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.235 8.056 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.698 8.268 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.995 8.088 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.535 9.687 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.444 9.363 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.211 10.836 -6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.803 9.991 -7.228 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.056 7.731 -4.656 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.521 6.449 -5.069 1.00 0.00 C ATOM 1144 C TYR A 75 -1.121 5.340 -4.216 1.00 0.00 C ATOM 1145 O TYR A 75 -1.164 5.447 -2.993 1.00 0.00 O ATOM 1146 CB TYR A 75 0.999 6.469 -4.939 1.00 0.00 C ATOM 1147 CG TYR A 75 1.660 7.556 -5.752 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.273 8.891 -5.580 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.658 7.230 -6.677 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.886 9.899 -6.333 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.271 8.238 -7.431 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.884 9.574 -7.259 1.00 0.00 C ATOM 1153 OH TYR A 75 3.481 10.556 -7.993 1.00 0.00 O ATOM 0 H TYR A 75 -0.801 8.007 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.782 6.260 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.264 6.599 -3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.395 5.502 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.502 9.142 -4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.956 6.200 -6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.589 10.929 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.042 7.986 -8.145 1.00 0.00 H new ATOM 0 HH TYR A 75 4.152 10.159 -8.587 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.585 4.270 -4.866 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.178 3.149 -4.165 1.00 0.00 C ATOM 1165 C GLU A 76 -1.094 2.166 -3.748 1.00 0.00 C ATOM 1166 O GLU A 76 -0.712 1.291 -4.522 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.205 2.471 -5.068 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.841 3.511 -5.985 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.614 2.840 -7.112 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.351 1.880 -6.800 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -4.454 3.301 -8.262 1.00 0.00 O ATOM 0 H GLU A 76 -1.557 4.165 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.682 3.504 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.726 1.692 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.972 1.985 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.511 4.149 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.067 4.156 -6.402 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.598 2.312 -2.516 1.00 0.00 N ATOM 1179 CA ALA A 77 0.438 1.440 -2.001 1.00 0.00 C ATOM 1180 C ALA A 77 -0.174 0.119 -1.555 1.00 0.00 C ATOM 1181 O ALA A 77 -1.049 0.099 -0.691 1.00 0.00 O ATOM 1182 CB ALA A 77 1.149 2.126 -0.838 1.00 0.00 C ATOM 0 H ALA A 77 -0.905 3.032 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 77 1.167 1.234 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.929 1.470 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.597 3.057 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.430 2.341 -0.048 1.00 0.00 H new ATOM 1188 N LYS A 78 0.287 -0.984 -2.146 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.217 -2.300 -1.806 1.00 0.00 C ATOM 1190 C LYS A 78 0.904 -3.150 -1.225 1.00 0.00 C ATOM 1191 O LYS A 78 1.895 -3.422 -1.899 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.801 -2.957 -3.053 1.00 0.00 C ATOM 1193 CG LYS A 78 -2.317 -2.768 -3.063 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.644 -1.297 -3.302 1.00 0.00 C ATOM 1195 CE LYS A 78 -2.945 -1.076 -4.782 1.00 0.00 C ATOM 1196 NZ LYS A 78 -4.150 -0.251 -4.957 1.00 0.00 N ATOM 0 H LYS A 78 1.011 -0.984 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.002 -2.209 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.363 -2.517 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.556 -4.019 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.766 -3.383 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.742 -3.097 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.501 -1.001 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.806 -0.672 -2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.095 -0.591 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.083 -2.038 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.002 0.419 -5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.961 -0.864 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.340 0.276 -4.081 1.00 0.00 H new ATOM 1210 N VAL A 79 0.744 -3.571 0.033 1.00 0.00 N ATOM 1211 CA VAL A 79 1.739 -4.385 0.699 1.00 0.00 C ATOM 1212 C VAL A 79 1.110 -5.695 1.154 1.00 0.00 C ATOM 1213 O VAL A 79 0.072 -5.694 1.811 1.00 0.00 O ATOM 1214 CB VAL A 79 2.311 -3.619 1.888 1.00 0.00 C ATOM 1215 CG1 VAL A 79 3.563 -4.328 2.396 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.670 -2.201 1.453 1.00 0.00 C ATOM 0 H VAL A 79 -0.073 -3.355 0.605 1.00 0.00 H new ATOM 0 HA VAL A 79 2.550 -4.613 0.008 1.00 0.00 H new ATOM 0 HB VAL A 79 1.569 -3.578 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.972 -3.781 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.307 -5.341 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.306 -4.369 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.079 -1.653 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.412 -2.242 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.776 -1.694 1.090 1.00 0.00 H new ATOM 1226 N TRP A 80 1.744 -6.817 0.802 1.00 0.00 N ATOM 1227 CA TRP A 80 1.243 -8.123 1.179 1.00 0.00 C ATOM 1228 C TRP A 80 2.034 -8.660 2.364 1.00 0.00 C ATOM 1229 O TRP A 80 3.176 -9.086 2.211 1.00 0.00 O ATOM 1230 CB TRP A 80 1.347 -9.070 -0.014 1.00 0.00 C ATOM 1231 CG TRP A 80 0.310 -10.145 -0.056 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.820 -10.170 0.682 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.282 -11.360 -0.868 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -1.541 -11.307 0.388 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.906 -12.079 -0.564 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.139 -11.927 -1.827 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -1.226 -13.293 -1.178 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 0.826 -13.145 -2.449 1.00 0.00 C ATOM 1239 CH2 TRP A 80 -0.352 -13.829 -2.128 1.00 0.00 C ATOM 0 H TRP A 80 2.605 -6.837 0.256 1.00 0.00 H new ATOM 0 HA TRP A 80 0.197 -8.043 1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.280 -8.485 -0.931 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.332 -9.536 -0.005 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.114 -9.414 1.395 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -2.433 -11.548 0.820 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.054 -11.416 -2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.138 -13.811 -0.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.501 -13.559 -3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.585 -14.766 -2.612 1.00 0.00 H new ATOM 1250 N GLU A 81 1.420 -8.640 3.549 1.00 0.00 N ATOM 1251 CA GLU A 81 2.068 -9.124 4.751 1.00 0.00 C ATOM 1252 C GLU A 81 1.289 -10.300 5.323 1.00 0.00 C ATOM 1253 O GLU A 81 0.098 -10.448 5.059 1.00 0.00 O ATOM 1254 CB GLU A 81 2.160 -7.992 5.769 1.00 0.00 C ATOM 1255 CG GLU A 81 0.781 -7.368 5.964 1.00 0.00 C ATOM 1256 CD GLU A 81 0.116 -7.906 7.222 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.569 -7.510 8.318 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.835 -8.701 7.065 1.00 0.00 O ATOM 0 H GLU A 81 0.472 -8.291 3.693 1.00 0.00 H new ATOM 0 HA GLU A 81 3.075 -9.464 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.536 -8.373 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.867 -7.237 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.874 -6.284 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.155 -7.581 5.097 1.00 0.00 H new ATOM 1265 N LYS A 82 1.968 -11.139 6.110 1.00 0.00 N ATOM 1266 CA LYS A 82 1.339 -12.296 6.714 1.00 0.00 C ATOM 1267 C LYS A 82 1.630 -12.323 8.208 1.00 0.00 C ATOM 1268 O LYS A 82 2.785 -12.240 8.620 1.00 0.00 O ATOM 1269 CB LYS A 82 1.853 -13.564 6.040 1.00 0.00 C ATOM 1270 CG LYS A 82 2.223 -13.256 4.592 1.00 0.00 C ATOM 1271 CD LYS A 82 0.959 -12.937 3.800 1.00 0.00 C ATOM 1272 CE LYS A 82 0.983 -13.698 2.478 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.158 -13.327 1.676 1.00 0.00 N ATOM 0 H LYS A 82 2.956 -11.030 6.339 1.00 0.00 H new ATOM 0 HA LYS A 82 0.259 -12.239 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.722 -13.946 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.090 -14.342 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.912 -12.412 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.738 -14.108 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.076 -13.215 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.894 -11.865 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.995 -14.770 2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.073 -13.486 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.991 -13.576 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.323 -12.303 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.993 -13.840 2.025 1.00 0.00 H new ATOM 1287 N PRO A 83 0.577 -12.439 9.021 1.00 0.00 N ATOM 1288 CA PRO A 83 0.661 -12.483 10.464 1.00 0.00 C ATOM 1289 C PRO A 83 1.235 -13.822 10.902 1.00 0.00 C ATOM 1290 O PRO A 83 2.098 -13.877 11.775 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.779 -12.320 10.946 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.587 -12.946 9.809 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.794 -12.538 8.570 1.00 0.00 C ATOM 0 HA PRO A 83 1.310 -11.710 10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.949 -12.832 11.893 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.039 -11.272 11.098 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.654 -14.029 9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.608 -12.565 9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.896 -13.277 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.148 -11.588 8.170 1.00 0.00 H new ATOM 1301 N TRP A 84 0.753 -14.907 10.292 1.00 0.00 N ATOM 1302 CA TRP A 84 1.221 -16.238 10.623 1.00 0.00 C ATOM 1303 C TRP A 84 2.742 -16.280 10.569 1.00 0.00 C ATOM 1304 O TRP A 84 3.364 -17.154 11.168 1.00 0.00 O ATOM 1305 CB TRP A 84 0.618 -17.246 9.649 1.00 0.00 C ATOM 1306 CG TRP A 84 1.121 -17.144 8.245 1.00 0.00 C ATOM 1307 CD1 TRP A 84 2.299 -17.631 7.801 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.484 -16.522 7.086 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.436 -17.356 6.457 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.342 -16.672 5.965 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.730 -15.846 6.870 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.017 -16.179 4.698 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -1.067 -15.348 5.603 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.198 -15.513 4.518 1.00 0.00 C ATOM 0 H TRP A 84 0.037 -14.881 9.566 1.00 0.00 H new ATOM 0 HA TRP A 84 0.906 -16.496 11.634 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.819 -18.251 10.019 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.465 -17.119 9.642 1.00 0.00 H new ATOM 0 HD1 TRP A 84 3.023 -18.156 8.406 1.00 0.00 H new ATOM 0 HE1 TRP A 84 3.245 -17.624 5.896 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.415 -15.708 7.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.696 -16.311 3.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.006 -14.832 5.463 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.466 -15.127 3.546 1.00 0.00 H new ATOM 1325 N MET A 85 3.340 -15.330 9.848 1.00 0.00 N ATOM 1326 CA MET A 85 4.781 -15.264 9.718 1.00 0.00 C ATOM 1327 C MET A 85 5.244 -13.816 9.800 1.00 0.00 C ATOM 1328 O MET A 85 6.368 -13.497 9.418 1.00 0.00 O ATOM 1329 CB MET A 85 5.201 -15.891 8.392 1.00 0.00 C ATOM 1330 CG MET A 85 4.313 -15.355 7.273 1.00 0.00 C ATOM 1331 SD MET A 85 4.726 -16.000 5.633 1.00 0.00 S ATOM 1332 CE MET A 85 6.526 -15.814 5.693 1.00 0.00 C ATOM 0 H MET A 85 2.839 -14.597 9.347 1.00 0.00 H new ATOM 0 HA MET A 85 5.247 -15.819 10.532 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.246 -15.661 8.183 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.118 -16.976 8.448 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.275 -15.600 7.498 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.387 -14.268 7.254 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.890 -15.483 4.720 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.790 -15.076 6.450 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.983 -16.771 5.945 1.00 0.00 H new ATOM 1342 N ASP A 86 4.372 -12.939 10.301 1.00 0.00 N ATOM 1343 CA ASP A 86 4.691 -11.532 10.430 1.00 0.00 C ATOM 1344 C ASP A 86 5.595 -11.102 9.283 1.00 0.00 C ATOM 1345 O ASP A 86 6.554 -10.362 9.489 1.00 0.00 O ATOM 1346 CB ASP A 86 5.372 -11.287 11.775 1.00 0.00 C ATOM 1347 CG ASP A 86 5.512 -9.797 12.049 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.455 -9.143 12.187 1.00 0.00 O ATOM 1349 OD2 ASP A 86 6.672 -9.339 12.118 1.00 0.00 O ATOM 0 H ASP A 86 3.437 -13.189 10.623 1.00 0.00 H new ATOM 0 HA ASP A 86 3.776 -10.942 10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.792 -11.754 12.571 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.356 -11.756 11.780 1.00 0.00 H new ATOM 1354 N PHE A 87 5.287 -11.568 8.070 1.00 0.00 N ATOM 1355 CA PHE A 87 6.071 -11.230 6.901 1.00 0.00 C ATOM 1356 C PHE A 87 5.391 -10.108 6.129 1.00 0.00 C ATOM 1357 O PHE A 87 4.272 -9.717 6.454 1.00 0.00 O ATOM 1358 CB PHE A 87 6.236 -12.468 6.024 1.00 0.00 C ATOM 1359 CG PHE A 87 6.367 -12.152 4.553 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.482 -11.448 4.085 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.374 -12.566 3.658 1.00 0.00 C ATOM 1362 CE1 PHE A 87 7.603 -11.156 2.721 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.496 -12.277 2.294 1.00 0.00 C ATOM 1364 CZ PHE A 87 6.611 -11.570 1.826 1.00 0.00 C ATOM 0 H PHE A 87 4.495 -12.182 7.881 1.00 0.00 H new ATOM 0 HA PHE A 87 7.058 -10.885 7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.119 -13.019 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.379 -13.125 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.249 -11.130 4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.513 -13.109 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.463 -10.611 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.731 -12.599 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.705 -11.345 0.774 1.00 0.00 H new ATOM 1374 N LYS A 88 6.070 -9.590 5.104 1.00 0.00 N ATOM 1375 CA LYS A 88 5.529 -8.518 4.294 1.00 0.00 C ATOM 1376 C LYS A 88 6.463 -8.227 3.127 1.00 0.00 C ATOM 1377 O LYS A 88 7.662 -8.481 3.210 1.00 0.00 O ATOM 1378 CB LYS A 88 5.339 -7.274 5.156 1.00 0.00 C ATOM 1379 CG LYS A 88 6.698 -6.785 5.649 1.00 0.00 C ATOM 1380 CD LYS A 88 6.660 -5.270 5.830 1.00 0.00 C ATOM 1381 CE LYS A 88 7.055 -4.918 7.261 1.00 0.00 C ATOM 1382 NZ LYS A 88 5.963 -5.221 8.200 1.00 0.00 N ATOM 0 H LYS A 88 6.999 -9.903 4.821 1.00 0.00 H new ATOM 0 HA LYS A 88 4.561 -8.817 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.846 -6.491 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.693 -7.501 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.949 -7.268 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.475 -7.057 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.341 -4.792 5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.661 -4.892 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.947 -5.476 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.309 -3.860 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.257 -4.973 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.120 -4.669 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.739 -6.236 8.156 1.00 0.00 H new ATOM 1396 N GLU A 89 5.909 -7.691 2.038 1.00 0.00 N ATOM 1397 CA GLU A 89 6.695 -7.368 0.864 1.00 0.00 C ATOM 1398 C GLU A 89 5.913 -6.426 -0.042 1.00 0.00 C ATOM 1399 O GLU A 89 4.872 -6.802 -0.583 1.00 0.00 O ATOM 1400 CB GLU A 89 7.054 -8.653 0.124 1.00 0.00 C ATOM 1401 CG GLU A 89 8.194 -8.378 -0.853 1.00 0.00 C ATOM 1402 CD GLU A 89 8.907 -9.667 -1.234 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.194 -10.453 -0.305 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.150 -9.843 -2.447 1.00 0.00 O ATOM 0 H GLU A 89 4.916 -7.474 1.953 1.00 0.00 H new ATOM 0 HA GLU A 89 7.615 -6.867 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.349 -9.424 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.184 -9.031 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.802 -7.896 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.904 -7.684 -0.403 1.00 0.00 H new ATOM 1411 N LEU A 90 6.417 -5.203 -0.205 1.00 0.00 N ATOM 1412 CA LEU A 90 5.763 -4.194 -1.039 1.00 0.00 C ATOM 1413 C LEU A 90 5.468 -4.718 -2.447 1.00 0.00 C ATOM 1414 O LEU A 90 6.337 -5.278 -3.112 1.00 0.00 O ATOM 1415 CB LEU A 90 6.647 -2.946 -1.122 1.00 0.00 C ATOM 1416 CG LEU A 90 5.933 -1.681 -1.644 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.215 -1.953 -2.963 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.949 -1.145 -0.609 1.00 0.00 C ATOM 0 H LEU A 90 7.282 -4.885 0.233 1.00 0.00 H new ATOM 0 HA LEU A 90 4.809 -3.945 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.049 -2.736 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.496 -3.161 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 90 6.697 -0.925 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.722 -1.042 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.939 -2.276 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.470 -2.736 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.459 -0.254 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.199 -1.906 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.485 -0.892 0.306 1.00 0.00 H new ATOM 1430 N GLN A 91 4.223 -4.531 -2.891 1.00 0.00 N ATOM 1431 CA GLN A 91 3.804 -4.983 -4.203 1.00 0.00 C ATOM 1432 C GLN A 91 3.895 -3.834 -5.198 1.00 0.00 C ATOM 1433 O GLN A 91 4.345 -4.021 -6.326 1.00 0.00 O ATOM 1434 CB GLN A 91 2.377 -5.516 -4.123 1.00 0.00 C ATOM 1435 CG GLN A 91 2.367 -6.834 -3.354 1.00 0.00 C ATOM 1436 CD GLN A 91 2.444 -8.019 -4.306 1.00 0.00 C ATOM 1437 OE1 GLN A 91 1.646 -8.125 -5.235 1.00 0.00 O ATOM 1438 NE2 GLN A 91 3.409 -8.912 -4.073 1.00 0.00 N ATOM 0 H GLN A 91 3.491 -4.067 -2.353 1.00 0.00 H new ATOM 0 HA GLN A 91 4.460 -5.785 -4.543 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.733 -4.789 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.977 -5.665 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.209 -6.863 -2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.460 -6.903 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.047 -8.780 -3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.508 -9.726 -4.679 1.00 0.00 H new ATOM 1447 N GLU A 92 3.467 -2.642 -4.775 1.00 0.00 N ATOM 1448 CA GLU A 92 3.506 -1.472 -5.631 1.00 0.00 C ATOM 1449 C GLU A 92 2.627 -0.374 -5.048 1.00 0.00 C ATOM 1450 O GLU A 92 1.560 -0.649 -4.505 1.00 0.00 O ATOM 1451 CB GLU A 92 3.037 -1.853 -7.033 1.00 0.00 C ATOM 1452 CG GLU A 92 4.232 -1.878 -7.980 1.00 0.00 C ATOM 1453 CD GLU A 92 3.952 -2.766 -9.184 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.837 -3.992 -8.971 1.00 0.00 O ATOM 1455 OE2 GLU A 92 3.858 -2.202 -10.295 1.00 0.00 O ATOM 0 H GLU A 92 3.091 -2.470 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 92 4.527 -1.096 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.554 -2.830 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.294 -1.138 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.457 -0.865 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.113 -2.242 -7.451 1.00 0.00 H new ATOM 1462 N PHE A 93 3.082 0.877 -5.163 1.00 0.00 N ATOM 1463 CA PHE A 93 2.337 2.009 -4.649 1.00 0.00 C ATOM 1464 C PHE A 93 2.326 3.130 -5.677 1.00 0.00 C ATOM 1465 O PHE A 93 3.276 3.906 -5.765 1.00 0.00 O ATOM 1466 CB PHE A 93 2.968 2.479 -3.341 1.00 0.00 C ATOM 1467 CG PHE A 93 4.038 3.526 -3.530 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.324 3.147 -3.936 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.747 4.875 -3.299 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.318 4.117 -4.110 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.741 5.846 -3.473 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.027 5.467 -3.878 1.00 0.00 C ATOM 0 H PHE A 93 3.965 1.122 -5.610 1.00 0.00 H new ATOM 0 HA PHE A 93 1.306 1.713 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.188 2.881 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.398 1.620 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.549 2.106 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.755 5.167 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.309 3.824 -4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.516 6.887 -3.295 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.794 6.216 -4.011 1.00 0.00 H new ATOM 1482 N LYS A 94 1.247 3.215 -6.459 1.00 0.00 N ATOM 1483 CA LYS A 94 1.120 4.240 -7.475 1.00 0.00 C ATOM 1484 C LYS A 94 -0.344 4.413 -7.857 1.00 0.00 C ATOM 1485 O LYS A 94 -1.187 3.604 -7.476 1.00 0.00 O ATOM 1486 CB LYS A 94 1.953 3.852 -8.694 1.00 0.00 C ATOM 1487 CG LYS A 94 3.180 4.755 -8.778 1.00 0.00 C ATOM 1488 CD LYS A 94 3.959 4.439 -10.051 1.00 0.00 C ATOM 1489 CE LYS A 94 5.028 5.506 -10.274 1.00 0.00 C ATOM 1490 NZ LYS A 94 4.473 6.666 -10.988 1.00 0.00 N ATOM 0 H LYS A 94 0.451 2.580 -6.401 1.00 0.00 H new ATOM 0 HA LYS A 94 1.487 5.189 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.260 2.809 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.356 3.946 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.875 5.802 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.815 4.606 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.423 3.456 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.282 4.404 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.434 5.825 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.855 5.084 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.219 7.377 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.107 6.362 -11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.700 7.080 -10.429 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.643 5.473 -8.610 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.977 5.797 -9.069 1.00 0.00 C ATOM 1506 C PRO A 95 -2.396 4.817 -10.155 1.00 0.00 C ATOM 1507 O PRO A 95 -3.501 4.909 -10.685 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.866 7.215 -9.624 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.421 7.273 -10.118 1.00 0.00 C ATOM 1510 CD PRO A 95 0.323 6.445 -9.075 1.00 0.00 C ATOM 0 HA PRO A 95 -2.725 5.734 -8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.577 7.390 -10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.062 7.966 -8.858 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.318 6.852 -11.118 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.049 8.297 -10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.196 5.957 -9.508 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.680 7.070 -8.256 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.507 3.878 -10.489 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.786 2.888 -11.509 1.00 0.00 C ATOM 1520 C VAL A 96 -2.317 3.575 -12.760 1.00 0.00 C ATOM 1521 O VAL A 96 -3.527 3.710 -12.931 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.799 1.879 -10.976 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -3.138 0.872 -12.070 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -2.203 1.148 -9.778 1.00 0.00 C ATOM 0 H VAL A 96 -0.586 3.790 -10.060 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.869 2.359 -11.768 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.706 2.400 -10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.862 0.151 -11.689 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.563 1.395 -12.927 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.232 0.349 -12.377 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.925 0.427 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.296 0.626 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.961 1.868 -8.996 1.00 0.00 H new ATOM 1534 N ASP A 97 -1.408 4.009 -13.636 1.00 0.00 N ATOM 1535 CA ASP A 97 -1.787 4.679 -14.864 1.00 0.00 C ATOM 1536 C ASP A 97 -1.131 3.989 -16.051 1.00 0.00 C ATOM 1537 O ASP A 97 -0.016 3.483 -15.938 1.00 0.00 O ATOM 1538 CB ASP A 97 -1.371 6.146 -14.792 1.00 0.00 C ATOM 1539 CG ASP A 97 -2.570 7.036 -14.498 1.00 0.00 C ATOM 1540 OD1 ASP A 97 -3.524 6.989 -15.304 1.00 0.00 O ATOM 1541 OD2 ASP A 97 -2.509 7.748 -13.472 1.00 0.00 O ATOM 0 H ASP A 97 -0.401 3.904 -13.509 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.868 4.628 -14.992 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.617 6.277 -14.016 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.913 6.445 -15.735 1.00 0.00 H new ATOM 1546 N ALA A 98 -1.824 3.970 -17.191 1.00 0.00 N ATOM 1547 CA ALA A 98 -1.305 3.343 -18.390 1.00 0.00 C ATOM 1548 C ALA A 98 -1.055 1.864 -18.131 1.00 0.00 C ATOM 1549 O ALA A 98 -1.078 1.420 -16.986 1.00 0.00 O ATOM 1550 CB ALA A 98 -0.018 4.043 -18.815 1.00 0.00 C ATOM 0 H ALA A 98 -2.749 4.386 -17.301 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.033 3.433 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.372 3.571 -19.717 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.225 5.094 -19.016 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.720 3.965 -18.016 1.00 0.00 H new ATOM 1556 N SER A 99 -0.816 1.102 -19.201 1.00 0.00 N ATOM 1557 CA SER A 99 -0.561 -0.320 -19.083 1.00 0.00 C ATOM 1558 C SER A 99 -0.100 -0.875 -20.424 1.00 0.00 C ATOM 1559 O SER A 99 -0.919 -1.266 -21.252 1.00 0.00 O ATOM 1560 CB SER A 99 -1.831 -1.025 -18.615 1.00 0.00 C ATOM 1561 OG SER A 99 -1.544 -1.799 -17.472 1.00 0.00 O ATOM 0 H SER A 99 -0.796 1.455 -20.158 1.00 0.00 H new ATOM 0 HA SER A 99 0.227 -0.493 -18.350 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.604 -0.291 -18.386 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.221 -1.661 -19.410 1.00 0.00 H new ATOM 0 HG SER A 99 -2.359 -2.251 -17.170 1.00 0.00 H new ATOM 1567 N ALA A 100 1.218 -0.909 -20.633 1.00 0.00 N ATOM 1568 CA ALA A 100 1.782 -1.415 -21.869 1.00 0.00 C ATOM 1569 C ALA A 100 1.415 -2.881 -22.041 1.00 0.00 C ATOM 1570 O ALA A 100 1.083 -3.559 -21.072 1.00 0.00 O ATOM 1571 CB ALA A 100 3.298 -1.236 -21.845 1.00 0.00 C ATOM 0 H ALA A 100 1.910 -0.589 -19.955 1.00 0.00 H new ATOM 0 HA ALA A 100 1.376 -0.858 -22.714 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.724 -1.616 -22.774 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.538 -0.178 -21.742 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.716 -1.786 -21.002 1.00 0.00 H new ATOM 1577 N ASN A 101 1.475 -3.371 -23.282 1.00 0.00 N ATOM 1578 CA ASN A 101 1.149 -4.752 -23.573 1.00 0.00 C ATOM 1579 C ASN A 101 2.394 -5.492 -24.041 1.00 0.00 C ATOM 1580 O ASN A 101 3.375 -4.871 -24.445 1.00 0.00 O ATOM 1581 CB ASN A 101 0.059 -4.802 -24.639 1.00 0.00 C ATOM 1582 CG ASN A 101 -0.650 -6.148 -24.629 1.00 0.00 C ATOM 1583 OD1 ASN A 101 -0.358 -7.012 -25.453 1.00 0.00 O ATOM 1584 ND2 ASN A 101 -1.585 -6.327 -23.691 1.00 0.00 N ATOM 0 H ASN A 101 1.748 -2.823 -24.097 1.00 0.00 H new ATOM 0 HA ASN A 101 0.781 -5.239 -22.670 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -0.663 -4.005 -24.464 1.00 0.00 H new ATOM 0 HB3 ASN A 101 0.497 -4.625 -25.621 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.091 -7.211 -23.638 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.792 -5.580 -23.029 1.00 0.00 H new ATOM 1591 N ALA A 102 2.352 -6.826 -23.984 1.00 0.00 N ATOM 1592 CA ALA A 102 3.474 -7.644 -24.401 1.00 0.00 C ATOM 1593 C ALA A 102 3.749 -7.427 -25.882 1.00 0.00 C ATOM 1594 O ALA A 102 4.903 -7.341 -26.294 1.00 0.00 O ATOM 1595 CB ALA A 102 3.163 -9.112 -24.118 1.00 0.00 C ATOM 1596 OXT ALA A 102 2.818 -7.335 -26.682 1.00 0.00 O ATOM 0 H ALA A 102 1.547 -7.356 -23.651 1.00 0.00 H new ATOM 0 HA ALA A 102 4.365 -7.359 -23.842 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.005 -9.729 -24.431 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.990 -9.248 -23.050 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.271 -9.408 -24.671 1.00 0.00 H new TER 1602 ALA A 102