USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 115:sc= -0.149 USER MOD Set 1.2: A 82 LYS NZ :NH3+ 155:sc= -4.28! (180deg=-4.77!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.286 K(o=-0.29,f=-0.81) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0101 (180deg=-0.205) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 33 ASN :FLIP amide:sc=-0.00596 F(o=-1.4!,f=-0.006) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 151:sc= -0.22 (180deg=-1.04) USER MOD Single : A 40 SER OG : rot 25:sc= -1.78! USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -0.758 K(o=-0.76,f=-8.1!) USER MOD Single : A 58 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.0048) USER MOD Single : A 71 GLN : amide:sc= -0.0845 X(o=-0.085,f=-0.085) USER MOD Single : A 73 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0148) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.458 USER MOD Single : A 86 ASN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -111:sc= -0.824 (180deg=-1.85!) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 98 THR OG1 : rot 42:sc= -0.58! USER MOD Single : A 100 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.129 2.606 -23.033 1.00 0.00 N ATOM 2 CA GLY A 1 48.957 4.004 -23.521 1.00 0.00 C ATOM 3 C GLY A 1 50.323 4.610 -23.823 1.00 0.00 C ATOM 4 O GLY A 1 51.110 4.875 -22.914 1.00 0.00 O ATOM 0 H1 GLY A 1 48.197 2.193 -22.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 49.605 2.039 -23.764 1.00 0.00 H new ATOM 0 H3 GLY A 1 49.705 2.609 -22.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 48.337 4.014 -24.417 1.00 0.00 H new ATOM 0 HA3 GLY A 1 48.440 4.602 -22.770 1.00 0.00 H new ATOM 10 N ALA A 2 50.595 4.828 -25.104 1.00 0.00 N ATOM 11 CA ALA A 2 51.867 5.407 -25.522 1.00 0.00 C ATOM 12 C ALA A 2 53.034 4.734 -24.792 1.00 0.00 C ATOM 13 O ALA A 2 53.623 5.314 -23.886 1.00 0.00 O ATOM 14 CB ALA A 2 51.855 6.924 -25.251 1.00 0.00 C ATOM 0 H ALA A 2 49.955 4.614 -25.869 1.00 0.00 H new ATOM 0 HA ALA A 2 52.001 5.238 -26.590 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.805 7.357 -25.563 1.00 0.00 H new ATOM 0 HB2 ALA A 2 51.043 7.387 -25.812 1.00 0.00 H new ATOM 0 HB3 ALA A 2 51.708 7.102 -24.186 1.00 0.00 H new ATOM 20 N MET A 3 53.357 3.505 -25.217 1.00 0.00 N ATOM 21 CA MET A 3 54.454 2.717 -24.631 1.00 0.00 C ATOM 22 C MET A 3 54.620 3.028 -23.133 1.00 0.00 C ATOM 23 O MET A 3 54.123 2.293 -22.280 1.00 0.00 O ATOM 24 CB MET A 3 55.787 2.983 -25.389 1.00 0.00 C ATOM 25 CG MET A 3 55.518 3.578 -26.777 1.00 0.00 C ATOM 26 SD MET A 3 54.658 2.367 -27.817 1.00 0.00 S ATOM 27 CE MET A 3 56.114 1.649 -28.629 1.00 0.00 C ATOM 0 H MET A 3 52.868 3.029 -25.975 1.00 0.00 H new ATOM 0 HA MET A 3 54.199 1.662 -24.734 1.00 0.00 H new ATOM 0 HB2 MET A 3 56.409 3.666 -24.810 1.00 0.00 H new ATOM 0 HB3 MET A 3 56.345 2.052 -25.490 1.00 0.00 H new ATOM 0 HG2 MET A 3 54.916 4.482 -26.683 1.00 0.00 H new ATOM 0 HG3 MET A 3 56.458 3.869 -27.245 1.00 0.00 H new ATOM 0 HE1 MET A 3 55.797 0.870 -29.322 1.00 0.00 H new ATOM 0 HE2 MET A 3 56.646 2.427 -29.177 1.00 0.00 H new ATOM 0 HE3 MET A 3 56.775 1.219 -27.877 1.00 0.00 H new ATOM 37 N GLY A 4 55.302 4.129 -22.828 1.00 0.00 N ATOM 38 CA GLY A 4 55.503 4.548 -21.447 1.00 0.00 C ATOM 39 C GLY A 4 56.023 3.403 -20.594 1.00 0.00 C ATOM 40 O GLY A 4 55.256 2.735 -19.902 1.00 0.00 O ATOM 0 H GLY A 4 55.725 4.747 -23.521 1.00 0.00 H new ATOM 0 HA2 GLY A 4 56.209 5.378 -21.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 54.563 4.914 -21.035 1.00 0.00 H new ATOM 44 N SER A 5 57.330 3.176 -20.649 1.00 0.00 N ATOM 45 CA SER A 5 57.935 2.104 -19.873 1.00 0.00 C ATOM 46 C SER A 5 58.128 2.541 -18.420 1.00 0.00 C ATOM 47 O SER A 5 58.290 1.706 -17.529 1.00 0.00 O ATOM 48 CB SER A 5 59.289 1.719 -20.488 1.00 0.00 C ATOM 49 OG SER A 5 60.340 2.376 -19.788 1.00 0.00 O ATOM 0 H SER A 5 57.984 3.714 -21.217 1.00 0.00 H new ATOM 0 HA SER A 5 57.272 1.239 -19.891 1.00 0.00 H new ATOM 0 HB2 SER A 5 59.427 0.639 -20.440 1.00 0.00 H new ATOM 0 HB3 SER A 5 59.312 1.996 -21.542 1.00 0.00 H new ATOM 0 HG SER A 5 61.202 2.126 -20.182 1.00 0.00 H new ATOM 55 N CYS A 6 58.120 3.859 -18.187 1.00 0.00 N ATOM 56 CA CYS A 6 58.312 4.402 -16.834 1.00 0.00 C ATOM 57 C CYS A 6 56.978 4.862 -16.227 1.00 0.00 C ATOM 58 O CYS A 6 56.724 6.052 -16.053 1.00 0.00 O ATOM 59 CB CYS A 6 59.324 5.565 -16.880 1.00 0.00 C ATOM 60 SG CYS A 6 58.556 7.069 -17.549 1.00 0.00 S ATOM 0 H CYS A 6 57.984 4.565 -18.910 1.00 0.00 H new ATOM 0 HA CYS A 6 58.707 3.613 -16.194 1.00 0.00 H new ATOM 0 HB2 CYS A 6 59.704 5.761 -15.877 1.00 0.00 H new ATOM 0 HB3 CYS A 6 60.179 5.284 -17.495 1.00 0.00 H new ATOM 65 N ARG A 7 56.121 3.909 -15.880 1.00 0.00 N ATOM 66 CA ARG A 7 54.836 4.260 -15.292 1.00 0.00 C ATOM 67 C ARG A 7 54.994 5.327 -14.195 1.00 0.00 C ATOM 68 O ARG A 7 54.307 6.339 -14.252 1.00 0.00 O ATOM 69 CB ARG A 7 54.110 3.012 -14.760 1.00 0.00 C ATOM 70 CG ARG A 7 53.979 1.958 -15.888 1.00 0.00 C ATOM 71 CD ARG A 7 54.003 0.528 -15.319 1.00 0.00 C ATOM 72 NE ARG A 7 55.037 0.385 -14.295 1.00 0.00 N ATOM 73 CZ ARG A 7 56.295 0.100 -14.614 1.00 0.00 C ATOM 74 NH1 ARG A 7 56.630 -0.059 -15.863 1.00 0.00 N ATOM 75 NH2 ARG A 7 57.195 -0.014 -13.674 1.00 0.00 N1+ ATOM 0 H ARG A 7 56.287 2.909 -15.992 1.00 0.00 H new ATOM 0 HA ARG A 7 54.218 4.691 -16.080 1.00 0.00 H new ATOM 0 HB2 ARG A 7 54.661 2.591 -13.919 1.00 0.00 H new ATOM 0 HB3 ARG A 7 53.122 3.285 -14.389 1.00 0.00 H new ATOM 0 HG2 ARG A 7 53.050 2.119 -16.434 1.00 0.00 H new ATOM 0 HG3 ARG A 7 54.794 2.082 -16.602 1.00 0.00 H new ATOM 0 HD2 ARG A 7 53.029 0.287 -14.893 1.00 0.00 H new ATOM 0 HD3 ARG A 7 54.184 -0.184 -16.124 1.00 0.00 H new ATOM 0 HE ARG A 7 54.787 0.507 -13.314 1.00 0.00 H new ATOM 0 HH11 ARG A 7 55.927 0.035 -16.596 1.00 0.00 H new ATOM 0 HH12 ARG A 7 57.596 -0.278 -16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 7 56.931 0.116 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 7 58.161 -0.233 -13.917 1.00 0.00 H new ATOM 89 N PRO A 8 55.879 5.162 -13.216 1.00 0.00 N ATOM 90 CA PRO A 8 56.073 6.198 -12.142 1.00 0.00 C ATOM 91 C PRO A 8 56.726 7.472 -12.709 1.00 0.00 C ATOM 92 O PRO A 8 57.918 7.451 -13.019 1.00 0.00 O ATOM 93 CB PRO A 8 57.026 5.501 -11.152 1.00 0.00 C ATOM 94 CG PRO A 8 57.795 4.543 -11.993 1.00 0.00 C ATOM 95 CD PRO A 8 56.790 4.006 -13.002 1.00 0.00 C ATOM 0 HA PRO A 8 55.135 6.520 -11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 8 57.685 6.218 -10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 8 56.475 4.986 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 8 58.629 5.037 -12.492 1.00 0.00 H new ATOM 0 HG3 PRO A 8 58.216 3.739 -11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 8 57.274 3.697 -13.928 1.00 0.00 H new ATOM 0 HD3 PRO A 8 56.256 3.137 -12.616 1.00 0.00 H new ATOM 103 N PRO A 9 56.019 8.578 -12.863 1.00 0.00 N ATOM 104 CA PRO A 9 56.619 9.825 -13.410 1.00 0.00 C ATOM 105 C PRO A 9 57.259 10.697 -12.320 1.00 0.00 C ATOM 106 O PRO A 9 56.564 11.205 -11.438 1.00 0.00 O ATOM 107 CB PRO A 9 55.422 10.547 -14.089 1.00 0.00 C ATOM 108 CG PRO A 9 54.176 9.800 -13.660 1.00 0.00 C ATOM 109 CD PRO A 9 54.595 8.813 -12.561 1.00 0.00 C ATOM 0 HA PRO A 9 57.435 9.615 -14.101 1.00 0.00 H new ATOM 0 HB2 PRO A 9 55.374 11.592 -13.783 1.00 0.00 H new ATOM 0 HB3 PRO A 9 55.527 10.537 -15.174 1.00 0.00 H new ATOM 0 HG2 PRO A 9 53.421 10.493 -13.288 1.00 0.00 H new ATOM 0 HG3 PRO A 9 53.735 9.271 -14.505 1.00 0.00 H new ATOM 0 HD2 PRO A 9 54.456 9.233 -11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 9 54.015 7.891 -12.602 1.00 0.00 H new ATOM 117 N MET A 10 58.574 10.923 -12.422 1.00 0.00 N ATOM 118 CA MET A 10 59.279 11.806 -11.479 1.00 0.00 C ATOM 119 C MET A 10 60.113 12.814 -12.256 1.00 0.00 C ATOM 120 O MET A 10 59.871 14.018 -12.205 1.00 0.00 O ATOM 121 CB MET A 10 60.198 10.994 -10.554 1.00 0.00 C ATOM 122 CG MET A 10 59.502 9.697 -10.091 1.00 0.00 C ATOM 123 SD MET A 10 59.969 9.341 -8.376 1.00 0.00 S ATOM 124 CE MET A 10 59.241 7.690 -8.282 1.00 0.00 C ATOM 0 H MET A 10 59.169 10.512 -13.141 1.00 0.00 H new ATOM 0 HA MET A 10 58.538 12.323 -10.869 1.00 0.00 H new ATOM 0 HB2 MET A 10 61.123 10.749 -11.076 1.00 0.00 H new ATOM 0 HB3 MET A 10 60.471 11.595 -9.687 1.00 0.00 H new ATOM 0 HG2 MET A 10 58.420 9.804 -10.170 1.00 0.00 H new ATOM 0 HG3 MET A 10 59.788 8.867 -10.737 1.00 0.00 H new ATOM 0 HE1 MET A 10 59.413 7.272 -7.290 1.00 0.00 H new ATOM 0 HE2 MET A 10 58.169 7.754 -8.468 1.00 0.00 H new ATOM 0 HE3 MET A 10 59.701 7.046 -9.032 1.00 0.00 H new ATOM 134 N VAL A 11 61.072 12.290 -13.017 1.00 0.00 N ATOM 135 CA VAL A 11 61.922 13.121 -13.866 1.00 0.00 C ATOM 136 C VAL A 11 61.885 12.567 -15.282 1.00 0.00 C ATOM 137 O VAL A 11 62.193 11.399 -15.512 1.00 0.00 O ATOM 138 CB VAL A 11 63.356 13.122 -13.335 1.00 0.00 C ATOM 139 CG1 VAL A 11 64.277 13.858 -14.324 1.00 0.00 C ATOM 140 CG2 VAL A 11 63.371 13.829 -11.975 1.00 0.00 C ATOM 0 H VAL A 11 61.280 11.292 -13.063 1.00 0.00 H new ATOM 0 HA VAL A 11 61.557 14.148 -13.863 1.00 0.00 H new ATOM 0 HB VAL A 11 63.715 12.099 -13.223 1.00 0.00 H new ATOM 0 HG11 VAL A 11 65.298 13.856 -13.941 1.00 0.00 H new ATOM 0 HG12 VAL A 11 64.251 13.354 -15.290 1.00 0.00 H new ATOM 0 HG13 VAL A 11 63.936 14.886 -14.442 1.00 0.00 H new ATOM 0 HG21 VAL A 11 64.387 13.839 -11.581 1.00 0.00 H new ATOM 0 HG22 VAL A 11 63.018 14.853 -12.094 1.00 0.00 H new ATOM 0 HG23 VAL A 11 62.718 13.298 -11.282 1.00 0.00 H new ATOM 150 N LYS A 12 61.464 13.403 -16.219 1.00 0.00 N ATOM 151 CA LYS A 12 61.326 12.991 -17.616 1.00 0.00 C ATOM 152 C LYS A 12 62.587 13.313 -18.415 1.00 0.00 C ATOM 153 O LYS A 12 62.974 14.475 -18.543 1.00 0.00 O ATOM 154 CB LYS A 12 60.106 13.690 -18.239 1.00 0.00 C ATOM 155 CG LYS A 12 60.089 15.175 -17.844 1.00 0.00 C ATOM 156 CD LYS A 12 58.815 15.850 -18.373 1.00 0.00 C ATOM 157 CE LYS A 12 57.572 15.401 -17.562 1.00 0.00 C ATOM 158 NZ LYS A 12 56.910 16.600 -16.973 1.00 0.00 N1+ ATOM 0 H LYS A 12 61.210 14.375 -16.041 1.00 0.00 H new ATOM 0 HA LYS A 12 61.181 11.911 -17.646 1.00 0.00 H new ATOM 0 HB2 LYS A 12 60.138 13.595 -19.324 1.00 0.00 H new ATOM 0 HB3 LYS A 12 59.189 13.206 -17.903 1.00 0.00 H new ATOM 0 HG2 LYS A 12 60.136 15.271 -16.759 1.00 0.00 H new ATOM 0 HG3 LYS A 12 60.969 15.676 -18.247 1.00 0.00 H new ATOM 0 HD2 LYS A 12 58.921 16.933 -18.313 1.00 0.00 H new ATOM 0 HD3 LYS A 12 58.677 15.601 -19.425 1.00 0.00 H new ATOM 0 HE2 LYS A 12 56.875 14.867 -18.208 1.00 0.00 H new ATOM 0 HE3 LYS A 12 57.868 14.710 -16.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 56.075 16.303 -16.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 57.577 17.091 -16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 56.615 17.243 -17.735 1.00 0.00 H new ATOM 172 N LEU A 13 63.212 12.267 -18.971 1.00 0.00 N ATOM 173 CA LEU A 13 64.422 12.430 -19.784 1.00 0.00 C ATOM 174 C LEU A 13 64.133 12.040 -21.230 1.00 0.00 C ATOM 175 O LEU A 13 63.592 10.975 -21.503 1.00 0.00 O ATOM 176 CB LEU A 13 65.586 11.600 -19.184 1.00 0.00 C ATOM 177 CG LEU A 13 65.507 10.090 -19.568 1.00 0.00 C ATOM 178 CD1 LEU A 13 66.087 9.824 -20.991 1.00 0.00 C ATOM 179 CD2 LEU A 13 66.288 9.256 -18.543 1.00 0.00 C ATOM 0 H LEU A 13 62.900 11.301 -18.872 1.00 0.00 H new ATOM 0 HA LEU A 13 64.728 13.476 -19.776 1.00 0.00 H new ATOM 0 HB2 LEU A 13 66.535 12.010 -19.530 1.00 0.00 H new ATOM 0 HB3 LEU A 13 65.574 11.696 -18.098 1.00 0.00 H new ATOM 0 HG LEU A 13 64.455 9.803 -19.570 1.00 0.00 H new ATOM 0 HD11 LEU A 13 66.014 8.761 -21.221 1.00 0.00 H new ATOM 0 HD12 LEU A 13 65.521 10.394 -21.727 1.00 0.00 H new ATOM 0 HD13 LEU A 13 67.133 10.130 -21.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 66.232 8.202 -18.813 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.331 9.573 -18.535 1.00 0.00 H new ATOM 0 HD23 LEU A 13 65.857 9.400 -17.552 1.00 0.00 H new ATOM 191 N VAL A 14 64.422 12.960 -22.154 1.00 0.00 N ATOM 192 CA VAL A 14 64.146 12.740 -23.578 1.00 0.00 C ATOM 193 C VAL A 14 65.394 13.065 -24.407 1.00 0.00 C ATOM 194 O VAL A 14 66.267 13.816 -23.975 1.00 0.00 O ATOM 195 CB VAL A 14 62.927 13.596 -24.002 1.00 0.00 C ATOM 196 CG1 VAL A 14 62.996 14.991 -23.340 1.00 0.00 C ATOM 197 CG2 VAL A 14 62.889 13.753 -25.533 1.00 0.00 C ATOM 0 H VAL A 14 64.846 13.863 -21.943 1.00 0.00 H new ATOM 0 HA VAL A 14 63.900 11.693 -23.757 1.00 0.00 H new ATOM 0 HB VAL A 14 62.020 13.088 -23.673 1.00 0.00 H new ATOM 0 HG11 VAL A 14 62.133 15.582 -23.647 1.00 0.00 H new ATOM 0 HG12 VAL A 14 62.993 14.880 -22.256 1.00 0.00 H new ATOM 0 HG13 VAL A 14 63.911 15.496 -23.650 1.00 0.00 H new ATOM 0 HG21 VAL A 14 62.027 14.357 -25.816 1.00 0.00 H new ATOM 0 HG22 VAL A 14 63.802 14.243 -25.871 1.00 0.00 H new ATOM 0 HG23 VAL A 14 62.811 12.770 -25.998 1.00 0.00 H new ATOM 207 N CYS A 15 65.483 12.445 -25.579 1.00 0.00 N ATOM 208 CA CYS A 15 66.647 12.633 -26.442 1.00 0.00 C ATOM 209 C CYS A 15 66.682 14.081 -26.966 1.00 0.00 C ATOM 210 O CYS A 15 65.629 14.674 -27.184 1.00 0.00 O ATOM 211 CB CYS A 15 66.602 11.628 -27.612 1.00 0.00 C ATOM 212 SG CYS A 15 67.642 10.188 -27.235 1.00 0.00 S ATOM 0 H CYS A 15 64.773 11.815 -25.951 1.00 0.00 H new ATOM 0 HA CYS A 15 67.555 12.452 -25.868 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.575 11.309 -27.789 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.949 12.107 -28.527 1.00 0.00 H new ATOM 217 N PRO A 16 67.849 14.666 -27.185 1.00 0.00 N ATOM 218 CA PRO A 16 67.933 16.073 -27.706 1.00 0.00 C ATOM 219 C PRO A 16 67.194 16.230 -29.040 1.00 0.00 C ATOM 220 O PRO A 16 67.221 15.329 -29.877 1.00 0.00 O ATOM 221 CB PRO A 16 69.443 16.325 -27.891 1.00 0.00 C ATOM 222 CG PRO A 16 70.133 15.297 -27.050 1.00 0.00 C ATOM 223 CD PRO A 16 69.196 14.090 -26.966 1.00 0.00 C ATOM 0 HA PRO A 16 67.465 16.783 -27.024 1.00 0.00 H new ATOM 0 HB2 PRO A 16 69.730 16.230 -28.938 1.00 0.00 H new ATOM 0 HB3 PRO A 16 69.713 17.333 -27.576 1.00 0.00 H new ATOM 0 HG2 PRO A 16 71.088 15.014 -27.492 1.00 0.00 H new ATOM 0 HG3 PRO A 16 70.346 15.691 -26.056 1.00 0.00 H new ATOM 0 HD2 PRO A 16 69.438 13.343 -27.722 1.00 0.00 H new ATOM 0 HD3 PRO A 16 69.266 13.597 -25.997 1.00 0.00 H new ATOM 231 N ALA A 17 66.550 17.384 -29.241 1.00 0.00 N ATOM 232 CA ALA A 17 65.830 17.642 -30.491 1.00 0.00 C ATOM 233 C ALA A 17 66.730 18.357 -31.499 1.00 0.00 C ATOM 234 O ALA A 17 66.734 18.011 -32.682 1.00 0.00 O ATOM 235 CB ALA A 17 64.561 18.477 -30.227 1.00 0.00 C ATOM 0 H ALA A 17 66.512 18.145 -28.563 1.00 0.00 H new ATOM 0 HA ALA A 17 65.534 16.681 -30.912 1.00 0.00 H new ATOM 0 HB1 ALA A 17 64.042 18.657 -31.168 1.00 0.00 H new ATOM 0 HB2 ALA A 17 63.903 17.935 -29.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 64.840 19.430 -29.778 1.00 0.00 H new ATOM 241 N ASP A 18 67.483 19.359 -31.037 1.00 0.00 N ATOM 242 CA ASP A 18 68.373 20.123 -31.920 1.00 0.00 C ATOM 243 C ASP A 18 69.824 19.948 -31.483 1.00 0.00 C ATOM 244 O ASP A 18 70.712 20.691 -31.903 1.00 0.00 O ATOM 245 CB ASP A 18 67.989 21.608 -31.880 1.00 0.00 C ATOM 246 CG ASP A 18 68.548 22.340 -33.097 1.00 0.00 C ATOM 247 OD1 ASP A 18 69.759 22.381 -33.239 1.00 0.00 O ATOM 248 OD2 ASP A 18 67.754 22.853 -33.871 1.00 0.00 O1- ATOM 0 H ASP A 18 67.496 19.660 -30.063 1.00 0.00 H new ATOM 0 HA ASP A 18 68.267 19.752 -32.939 1.00 0.00 H new ATOM 0 HB2 ASP A 18 66.904 21.708 -31.855 1.00 0.00 H new ATOM 0 HB3 ASP A 18 68.372 22.064 -30.967 1.00 0.00 H new ATOM 253 N ASN A 19 70.052 18.942 -30.652 1.00 0.00 N ATOM 254 CA ASN A 19 71.390 18.633 -30.167 1.00 0.00 C ATOM 255 C ASN A 19 72.060 19.840 -29.507 1.00 0.00 C ATOM 256 O ASN A 19 73.173 19.720 -28.997 1.00 0.00 O ATOM 257 CB ASN A 19 72.257 18.132 -31.327 1.00 0.00 C ATOM 258 CG ASN A 19 73.468 17.373 -30.790 1.00 0.00 C ATOM 259 OD1 ASN A 19 74.497 17.976 -30.486 1.00 0.00 O ATOM 260 ND2 ASN A 19 73.405 16.076 -30.654 1.00 0.00 N ATOM 0 H ASN A 19 69.324 18.322 -30.297 1.00 0.00 H new ATOM 0 HA ASN A 19 71.292 17.857 -29.408 1.00 0.00 H new ATOM 0 HB2 ASN A 19 71.670 17.482 -31.976 1.00 0.00 H new ATOM 0 HB3 ASN A 19 72.587 18.975 -31.935 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.209 15.561 -30.295 1.00 0.00 H new ATOM 0 HD22 ASN A 19 72.552 15.578 -30.906 1.00 0.00 H new ATOM 267 N LEU A 20 71.382 20.994 -29.464 1.00 0.00 N ATOM 268 CA LEU A 20 71.965 22.162 -28.791 1.00 0.00 C ATOM 269 C LEU A 20 71.696 22.071 -27.290 1.00 0.00 C ATOM 270 O LEU A 20 72.484 22.547 -26.475 1.00 0.00 O ATOM 271 CB LEU A 20 71.439 23.505 -29.404 1.00 0.00 C ATOM 272 CG LEU A 20 70.808 24.461 -28.351 1.00 0.00 C ATOM 273 CD1 LEU A 20 70.686 25.865 -28.960 1.00 0.00 C ATOM 274 CD2 LEU A 20 69.406 23.946 -27.910 1.00 0.00 C ATOM 0 H LEU A 20 70.459 21.143 -29.873 1.00 0.00 H new ATOM 0 HA LEU A 20 73.043 22.159 -28.949 1.00 0.00 H new ATOM 0 HB2 LEU A 20 72.264 24.017 -29.900 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.697 23.280 -30.170 1.00 0.00 H new ATOM 0 HG LEU A 20 71.448 24.495 -27.470 1.00 0.00 H new ATOM 0 HD11 LEU A 20 70.244 26.542 -28.228 1.00 0.00 H new ATOM 0 HD12 LEU A 20 71.675 26.228 -29.239 1.00 0.00 H new ATOM 0 HD13 LEU A 20 70.052 25.824 -29.845 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.983 24.629 -27.174 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.748 23.894 -28.777 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.505 22.954 -27.470 1.00 0.00 H new ATOM 286 N ARG A 21 70.555 21.499 -26.939 1.00 0.00 N ATOM 287 CA ARG A 21 70.164 21.408 -25.542 1.00 0.00 C ATOM 288 C ARG A 21 70.966 20.339 -24.811 1.00 0.00 C ATOM 289 O ARG A 21 71.283 20.486 -23.632 1.00 0.00 O ATOM 290 CB ARG A 21 68.661 21.111 -25.440 1.00 0.00 C ATOM 291 CG ARG A 21 68.381 19.613 -25.660 1.00 0.00 C ATOM 292 CD ARG A 21 66.869 19.367 -25.848 1.00 0.00 C ATOM 293 NE ARG A 21 66.437 18.288 -24.963 1.00 0.00 N ATOM 294 CZ ARG A 21 65.999 18.538 -23.730 1.00 0.00 C ATOM 295 NH1 ARG A 21 65.955 19.767 -23.287 1.00 0.00 N ATOM 296 NH2 ARG A 21 65.619 17.556 -22.959 1.00 0.00 N1+ ATOM 0 H ARG A 21 69.889 21.094 -27.596 1.00 0.00 H new ATOM 0 HA ARG A 21 70.375 22.365 -25.065 1.00 0.00 H new ATOM 0 HB2 ARG A 21 68.292 21.414 -24.460 1.00 0.00 H new ATOM 0 HB3 ARG A 21 68.119 21.699 -26.181 1.00 0.00 H new ATOM 0 HG2 ARG A 21 68.924 19.260 -26.537 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.745 19.040 -24.807 1.00 0.00 H new ATOM 0 HD2 ARG A 21 66.312 20.277 -25.628 1.00 0.00 H new ATOM 0 HD3 ARG A 21 66.658 19.107 -26.885 1.00 0.00 H new ATOM 0 HE ARG A 21 66.471 17.324 -25.296 1.00 0.00 H new ATOM 0 HH11 ARG A 21 66.256 20.536 -23.886 1.00 0.00 H new ATOM 0 HH12 ARG A 21 65.619 19.957 -22.343 1.00 0.00 H new ATOM 0 HH21 ARG A 21 65.657 16.596 -23.300 1.00 0.00 H new ATOM 0 HH22 ARG A 21 65.284 17.749 -22.015 1.00 0.00 H new ATOM 310 N ALA A 22 71.249 19.245 -25.509 1.00 0.00 N ATOM 311 CA ALA A 22 71.954 18.128 -24.903 1.00 0.00 C ATOM 312 C ALA A 22 71.323 17.780 -23.553 1.00 0.00 C ATOM 313 O ALA A 22 70.361 18.416 -23.119 1.00 0.00 O ATOM 314 CB ALA A 22 73.440 18.461 -24.718 1.00 0.00 C ATOM 0 H ALA A 22 71.002 19.110 -26.489 1.00 0.00 H new ATOM 0 HA ALA A 22 71.873 17.268 -25.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 73.949 17.612 -24.263 1.00 0.00 H new ATOM 0 HB2 ALA A 22 73.888 18.676 -25.688 1.00 0.00 H new ATOM 0 HB3 ALA A 22 73.540 19.333 -24.071 1.00 0.00 H new ATOM 320 N GLU A 23 71.855 16.746 -22.910 1.00 0.00 N ATOM 321 CA GLU A 23 71.346 16.295 -21.611 1.00 0.00 C ATOM 322 C GLU A 23 72.489 16.233 -20.601 1.00 0.00 C ATOM 323 O GLU A 23 72.727 17.183 -19.855 1.00 0.00 O ATOM 324 CB GLU A 23 70.701 14.908 -21.769 1.00 0.00 C ATOM 325 CG GLU A 23 70.104 14.419 -20.436 1.00 0.00 C ATOM 326 CD GLU A 23 68.785 15.130 -20.146 1.00 0.00 C ATOM 327 OE1 GLU A 23 68.140 15.554 -21.090 1.00 0.00 O1- ATOM 328 OE2 GLU A 23 68.429 15.220 -18.981 1.00 0.00 O ATOM 0 H GLU A 23 72.641 16.201 -23.265 1.00 0.00 H new ATOM 0 HA GLU A 23 70.596 16.999 -21.249 1.00 0.00 H new ATOM 0 HB2 GLU A 23 69.919 14.951 -22.527 1.00 0.00 H new ATOM 0 HB3 GLU A 23 71.446 14.195 -22.121 1.00 0.00 H new ATOM 0 HG2 GLU A 23 69.942 13.342 -20.477 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.809 14.604 -19.626 1.00 0.00 H new ATOM 335 N GLY A 24 73.186 15.101 -20.579 1.00 0.00 N ATOM 336 CA GLY A 24 74.296 14.908 -19.652 1.00 0.00 C ATOM 337 C GLY A 24 75.262 13.848 -20.174 1.00 0.00 C ATOM 338 O GLY A 24 75.778 13.955 -21.288 1.00 0.00 O ATOM 0 H GLY A 24 73.003 14.306 -21.191 1.00 0.00 H new ATOM 0 HA2 GLY A 24 74.825 15.850 -19.511 1.00 0.00 H new ATOM 0 HA3 GLY A 24 73.913 14.608 -18.677 1.00 0.00 H new ATOM 342 N LEU A 25 75.495 12.827 -19.359 1.00 0.00 N ATOM 343 CA LEU A 25 76.393 11.736 -19.728 1.00 0.00 C ATOM 344 C LEU A 25 75.719 10.808 -20.741 1.00 0.00 C ATOM 345 O LEU A 25 74.514 10.895 -20.977 1.00 0.00 O ATOM 346 CB LEU A 25 76.796 10.953 -18.455 1.00 0.00 C ATOM 347 CG LEU A 25 78.110 11.533 -17.841 1.00 0.00 C ATOM 348 CD1 LEU A 25 78.066 11.423 -16.306 1.00 0.00 C ATOM 349 CD2 LEU A 25 79.371 10.788 -18.384 1.00 0.00 C ATOM 0 H LEU A 25 75.074 12.730 -18.435 1.00 0.00 H new ATOM 0 HA LEU A 25 77.289 12.147 -20.193 1.00 0.00 H new ATOM 0 HB2 LEU A 25 75.992 11.005 -17.721 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.937 9.900 -18.699 1.00 0.00 H new ATOM 0 HG LEU A 25 78.181 12.581 -18.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.986 11.830 -15.886 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.213 11.985 -15.925 1.00 0.00 H new ATOM 0 HD13 LEU A 25 77.968 10.376 -16.019 1.00 0.00 H new ATOM 0 HD21 LEU A 25 80.268 11.217 -17.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.307 9.731 -18.128 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.419 10.896 -19.468 1.00 0.00 H new ATOM 361 N GLU A 26 76.516 9.915 -21.325 1.00 0.00 N ATOM 362 CA GLU A 26 76.012 8.948 -22.305 1.00 0.00 C ATOM 363 C GLU A 26 76.127 7.537 -21.743 1.00 0.00 C ATOM 364 O GLU A 26 75.965 6.552 -22.464 1.00 0.00 O ATOM 365 CB GLU A 26 76.804 9.065 -23.615 1.00 0.00 C ATOM 366 CG GLU A 26 78.219 8.502 -23.440 1.00 0.00 C ATOM 367 CD GLU A 26 79.054 8.815 -24.675 1.00 0.00 C ATOM 368 OE1 GLU A 26 78.574 9.558 -25.517 1.00 0.00 O1- ATOM 369 OE2 GLU A 26 80.163 8.314 -24.761 1.00 0.00 O ATOM 0 H GLU A 26 77.516 9.839 -21.138 1.00 0.00 H new ATOM 0 HA GLU A 26 74.963 9.162 -22.511 1.00 0.00 H new ATOM 0 HB2 GLU A 26 76.287 8.525 -24.409 1.00 0.00 H new ATOM 0 HB3 GLU A 26 76.857 10.109 -23.922 1.00 0.00 H new ATOM 0 HG2 GLU A 26 78.686 8.934 -22.555 1.00 0.00 H new ATOM 0 HG3 GLU A 26 78.175 7.424 -23.283 1.00 0.00 H new ATOM 376 N CYS A 27 76.436 7.453 -20.450 1.00 0.00 N ATOM 377 CA CYS A 27 76.603 6.164 -19.778 1.00 0.00 C ATOM 378 C CYS A 27 75.926 6.189 -18.404 1.00 0.00 C ATOM 379 O CYS A 27 76.412 6.837 -17.477 1.00 0.00 O ATOM 380 CB CYS A 27 78.109 5.869 -19.629 1.00 0.00 C ATOM 381 SG CYS A 27 78.706 4.995 -21.101 1.00 0.00 S ATOM 0 H CYS A 27 76.576 8.263 -19.846 1.00 0.00 H new ATOM 0 HA CYS A 27 76.135 5.379 -20.372 1.00 0.00 H new ATOM 0 HB2 CYS A 27 78.661 6.800 -19.497 1.00 0.00 H new ATOM 0 HB3 CYS A 27 78.285 5.265 -18.739 1.00 0.00 H new ATOM 386 N THR A 28 74.817 5.459 -18.277 1.00 0.00 N ATOM 387 CA THR A 28 74.102 5.386 -17.002 1.00 0.00 C ATOM 388 C THR A 28 75.071 4.930 -15.921 1.00 0.00 C ATOM 389 O THR A 28 76.125 4.374 -16.231 1.00 0.00 O ATOM 390 CB THR A 28 72.933 4.398 -17.117 1.00 0.00 C ATOM 391 OG1 THR A 28 72.153 4.727 -18.258 1.00 0.00 O ATOM 392 CG2 THR A 28 72.054 4.470 -15.866 1.00 0.00 C ATOM 0 H THR A 28 74.398 4.916 -19.032 1.00 0.00 H new ATOM 0 HA THR A 28 73.703 6.367 -16.743 1.00 0.00 H new ATOM 0 HB THR A 28 73.329 3.387 -17.215 1.00 0.00 H new ATOM 0 HG1 THR A 28 71.406 4.097 -18.336 1.00 0.00 H new ATOM 0 HG21 THR A 28 71.229 3.764 -15.960 1.00 0.00 H new ATOM 0 HG22 THR A 28 72.649 4.217 -14.988 1.00 0.00 H new ATOM 0 HG23 THR A 28 71.658 5.480 -15.757 1.00 0.00 H new ATOM 400 N LYS A 29 74.748 5.182 -14.650 1.00 0.00 N ATOM 401 CA LYS A 29 75.650 4.807 -13.560 1.00 0.00 C ATOM 402 C LYS A 29 75.218 3.466 -12.952 1.00 0.00 C ATOM 403 O LYS A 29 74.099 3.332 -12.454 1.00 0.00 O ATOM 404 CB LYS A 29 75.617 5.922 -12.471 1.00 0.00 C ATOM 405 CG LYS A 29 77.031 6.193 -11.851 1.00 0.00 C ATOM 406 CD LYS A 29 77.006 6.077 -10.318 1.00 0.00 C ATOM 407 CE LYS A 29 76.276 7.279 -9.708 1.00 0.00 C ATOM 408 NZ LYS A 29 77.151 8.483 -9.798 1.00 0.00 N1+ ATOM 0 H LYS A 29 73.884 5.636 -14.354 1.00 0.00 H new ATOM 0 HA LYS A 29 76.664 4.699 -13.946 1.00 0.00 H new ATOM 0 HB2 LYS A 29 75.233 6.843 -12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 29 74.925 5.633 -11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.750 5.483 -12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.370 7.189 -12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.509 5.153 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 78.025 6.027 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.339 7.456 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.023 7.076 -8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.802 9.215 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 78.124 8.225 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.138 8.850 -10.771 1.00 0.00 H new ATOM 422 N THR A 30 76.109 2.476 -13.014 1.00 0.00 N ATOM 423 CA THR A 30 75.851 1.147 -12.453 1.00 0.00 C ATOM 424 C THR A 30 77.072 0.699 -11.644 1.00 0.00 C ATOM 425 O THR A 30 78.165 1.234 -11.819 1.00 0.00 O ATOM 426 CB THR A 30 75.569 0.127 -13.570 1.00 0.00 C ATOM 427 OG1 THR A 30 75.797 -1.183 -13.069 1.00 0.00 O ATOM 428 CG2 THR A 30 76.474 0.381 -14.792 1.00 0.00 C ATOM 0 H THR A 30 77.025 2.570 -13.452 1.00 0.00 H new ATOM 0 HA THR A 30 74.974 1.201 -11.808 1.00 0.00 H new ATOM 0 HB THR A 30 74.532 0.232 -13.889 1.00 0.00 H new ATOM 0 HG1 THR A 30 75.618 -1.839 -13.775 1.00 0.00 H new ATOM 0 HG21 THR A 30 76.254 -0.354 -15.567 1.00 0.00 H new ATOM 0 HG22 THR A 30 76.289 1.383 -15.179 1.00 0.00 H new ATOM 0 HG23 THR A 30 77.519 0.294 -14.495 1.00 0.00 H new ATOM 436 N CYS A 31 76.873 -0.253 -10.734 1.00 0.00 N ATOM 437 CA CYS A 31 77.958 -0.731 -9.875 1.00 0.00 C ATOM 438 C CYS A 31 78.791 -1.820 -10.567 1.00 0.00 C ATOM 439 O CYS A 31 79.956 -2.019 -10.218 1.00 0.00 O ATOM 440 CB CYS A 31 77.360 -1.277 -8.567 1.00 0.00 C ATOM 441 SG CYS A 31 76.984 0.096 -7.438 1.00 0.00 S ATOM 0 H CYS A 31 75.975 -0.708 -10.572 1.00 0.00 H new ATOM 0 HA CYS A 31 78.624 0.105 -9.663 1.00 0.00 H new ATOM 0 HB2 CYS A 31 76.453 -1.843 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 31 78.062 -1.965 -8.096 1.00 0.00 H new ATOM 446 N GLN A 32 78.185 -2.586 -11.469 1.00 0.00 N ATOM 447 CA GLN A 32 78.895 -3.715 -12.079 1.00 0.00 C ATOM 448 C GLN A 32 80.090 -3.259 -12.931 1.00 0.00 C ATOM 449 O GLN A 32 81.093 -3.965 -13.039 1.00 0.00 O ATOM 450 CB GLN A 32 77.921 -4.548 -12.945 1.00 0.00 C ATOM 451 CG GLN A 32 78.206 -6.064 -12.807 1.00 0.00 C ATOM 452 CD GLN A 32 77.377 -6.654 -11.666 1.00 0.00 C ATOM 453 OE1 GLN A 32 77.755 -6.544 -10.500 1.00 0.00 O ATOM 454 NE2 GLN A 32 76.257 -7.267 -11.940 1.00 0.00 N ATOM 0 H GLN A 32 77.226 -2.454 -11.791 1.00 0.00 H new ATOM 0 HA GLN A 32 79.286 -4.329 -11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 32 76.894 -4.339 -12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 32 78.014 -4.251 -13.990 1.00 0.00 H new ATOM 0 HG2 GLN A 32 77.967 -6.573 -13.741 1.00 0.00 H new ATOM 0 HG3 GLN A 32 79.267 -6.226 -12.617 1.00 0.00 H new ATOM 0 HE21 GLN A 32 75.948 -7.356 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 32 75.691 -7.657 -11.186 1.00 0.00 H new ATOM 463 N ASN A 33 79.946 -2.102 -13.573 1.00 0.00 N ATOM 464 CA ASN A 33 80.987 -1.577 -14.470 1.00 0.00 C ATOM 465 C ASN A 33 81.456 -0.197 -14.026 1.00 0.00 C ATOM 466 O ASN A 33 82.066 0.535 -14.805 1.00 0.00 O ATOM 467 CB ASN A 33 80.425 -1.483 -15.888 1.00 0.00 C ATOM 468 CG ASN A 33 80.142 -2.879 -16.442 1.00 0.00 C ATOM 469 OD1 ASN A 33 80.736 -3.916 -15.918 1.00 0.00 O flip ATOM 470 ND2 ASN A 33 79.357 -3.027 -17.378 1.00 0.00 N flip ATOM 0 H ASN A 33 79.122 -1.507 -13.493 1.00 0.00 H new ATOM 0 HA ASN A 33 81.840 -2.255 -14.440 1.00 0.00 H new ATOM 0 HB2 ASN A 33 79.508 -0.893 -15.884 1.00 0.00 H new ATOM 0 HB3 ASN A 33 81.134 -0.965 -16.534 1.00 0.00 H new ATOM 0 HD21 ASN A 33 78.893 -2.216 -17.787 1.00 0.00 H new ATOM 0 HD22 ASN A 33 79.170 -3.960 -17.744 1.00 0.00 H new ATOM 477 N TYR A 34 81.145 0.176 -12.790 1.00 0.00 N ATOM 478 CA TYR A 34 81.513 1.492 -12.289 1.00 0.00 C ATOM 479 C TYR A 34 82.970 1.797 -12.581 1.00 0.00 C ATOM 480 O TYR A 34 83.299 2.886 -13.052 1.00 0.00 O ATOM 481 CB TYR A 34 81.284 1.542 -10.782 1.00 0.00 C ATOM 482 CG TYR A 34 81.594 2.919 -10.241 1.00 0.00 C ATOM 483 CD1 TYR A 34 80.761 3.994 -10.565 1.00 0.00 C ATOM 484 CD2 TYR A 34 82.690 3.114 -9.387 1.00 0.00 C ATOM 485 CE1 TYR A 34 81.018 5.264 -10.037 1.00 0.00 C ATOM 486 CE2 TYR A 34 82.952 4.387 -8.866 1.00 0.00 C ATOM 487 CZ TYR A 34 82.114 5.461 -9.188 1.00 0.00 C ATOM 488 OH TYR A 34 82.366 6.713 -8.663 1.00 0.00 O ATOM 0 H TYR A 34 80.643 -0.410 -12.122 1.00 0.00 H new ATOM 0 HA TYR A 34 80.894 2.236 -12.790 1.00 0.00 H new ATOM 0 HB2 TYR A 34 80.250 1.282 -10.557 1.00 0.00 H new ATOM 0 HB3 TYR A 34 81.913 0.802 -10.289 1.00 0.00 H new ATOM 0 HD1 TYR A 34 79.918 3.844 -11.224 1.00 0.00 H new ATOM 0 HD2 TYR A 34 83.331 2.283 -9.132 1.00 0.00 H new ATOM 0 HE1 TYR A 34 80.371 6.093 -10.284 1.00 0.00 H new ATOM 0 HE2 TYR A 34 83.801 4.540 -8.216 1.00 0.00 H new ATOM 0 HH TYR A 34 83.163 6.675 -8.094 1.00 0.00 H new ATOM 498 N ASP A 35 83.850 0.832 -12.315 1.00 0.00 N ATOM 499 CA ASP A 35 85.275 1.021 -12.560 1.00 0.00 C ATOM 500 C ASP A 35 85.674 0.405 -13.899 1.00 0.00 C ATOM 501 O ASP A 35 86.854 0.146 -14.135 1.00 0.00 O ATOM 502 CB ASP A 35 86.088 0.363 -11.435 1.00 0.00 C ATOM 503 CG ASP A 35 87.514 0.913 -11.420 1.00 0.00 C ATOM 504 OD1 ASP A 35 87.686 2.077 -11.747 1.00 0.00 O1- ATOM 505 OD2 ASP A 35 88.413 0.162 -11.078 1.00 0.00 O ATOM 0 H ASP A 35 83.602 -0.081 -11.933 1.00 0.00 H new ATOM 0 HA ASP A 35 85.483 2.091 -12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.609 0.549 -10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 35 86.109 -0.718 -11.576 1.00 0.00 H new ATOM 510 N LEU A 36 84.692 0.173 -14.788 1.00 0.00 N ATOM 511 CA LEU A 36 84.977 -0.408 -16.110 1.00 0.00 C ATOM 512 C LEU A 36 84.338 0.444 -17.216 1.00 0.00 C ATOM 513 O LEU A 36 83.423 1.227 -16.957 1.00 0.00 O ATOM 514 CB LEU A 36 84.466 -1.861 -16.179 1.00 0.00 C ATOM 515 CG LEU A 36 85.148 -2.643 -17.350 1.00 0.00 C ATOM 516 CD1 LEU A 36 85.475 -4.080 -16.909 1.00 0.00 C ATOM 517 CD2 LEU A 36 84.215 -2.689 -18.572 1.00 0.00 C ATOM 0 H LEU A 36 83.707 0.376 -14.618 1.00 0.00 H new ATOM 0 HA LEU A 36 86.056 -0.416 -16.263 1.00 0.00 H new ATOM 0 HB2 LEU A 36 84.668 -2.366 -15.234 1.00 0.00 H new ATOM 0 HB3 LEU A 36 83.385 -1.863 -16.317 1.00 0.00 H new ATOM 0 HG LEU A 36 86.070 -2.127 -17.617 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.949 -4.614 -17.732 1.00 0.00 H new ATOM 0 HD12 LEU A 36 86.153 -4.053 -16.056 1.00 0.00 H new ATOM 0 HD13 LEU A 36 84.555 -4.592 -16.626 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.701 -3.236 -19.380 1.00 0.00 H new ATOM 0 HD22 LEU A 36 83.286 -3.191 -18.302 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.996 -1.673 -18.901 1.00 0.00 H new ATOM 529 N GLU A 37 84.875 0.336 -18.429 1.00 0.00 N ATOM 530 CA GLU A 37 84.403 1.150 -19.557 1.00 0.00 C ATOM 531 C GLU A 37 82.945 0.833 -19.928 1.00 0.00 C ATOM 532 O GLU A 37 82.528 -0.322 -19.958 1.00 0.00 O ATOM 533 CB GLU A 37 85.333 0.912 -20.779 1.00 0.00 C ATOM 534 CG GLU A 37 85.793 2.244 -21.388 1.00 0.00 C ATOM 535 CD GLU A 37 84.604 2.978 -21.998 1.00 0.00 C ATOM 536 OE1 GLU A 37 83.830 2.336 -22.689 1.00 0.00 O ATOM 537 OE2 GLU A 37 84.486 4.169 -21.766 1.00 0.00 O1- ATOM 0 H GLU A 37 85.635 -0.304 -18.660 1.00 0.00 H new ATOM 0 HA GLU A 37 84.436 2.198 -19.259 1.00 0.00 H new ATOM 0 HB2 GLU A 37 86.201 0.329 -20.472 1.00 0.00 H new ATOM 0 HB3 GLU A 37 84.807 0.326 -21.532 1.00 0.00 H new ATOM 0 HG2 GLU A 37 86.258 2.863 -20.620 1.00 0.00 H new ATOM 0 HG3 GLU A 37 86.549 2.062 -22.152 1.00 0.00 H new ATOM 544 N CYS A 38 82.192 1.876 -20.273 1.00 0.00 N ATOM 545 CA CYS A 38 80.801 1.716 -20.709 1.00 0.00 C ATOM 546 C CYS A 38 80.699 2.180 -22.160 1.00 0.00 C ATOM 547 O CYS A 38 81.364 3.135 -22.547 1.00 0.00 O ATOM 548 CB CYS A 38 79.870 2.535 -19.790 1.00 0.00 C ATOM 549 SG CYS A 38 78.370 3.047 -20.675 1.00 0.00 S ATOM 0 H CYS A 38 82.519 2.842 -20.260 1.00 0.00 H new ATOM 0 HA CYS A 38 80.493 0.672 -20.645 1.00 0.00 H new ATOM 0 HB2 CYS A 38 79.597 1.940 -18.919 1.00 0.00 H new ATOM 0 HB3 CYS A 38 80.398 3.415 -19.422 1.00 0.00 H new ATOM 554 N MET A 39 79.923 1.453 -22.968 1.00 0.00 N ATOM 555 CA MET A 39 79.803 1.769 -24.394 1.00 0.00 C ATOM 556 C MET A 39 79.439 3.241 -24.598 1.00 0.00 C ATOM 557 O MET A 39 80.188 4.129 -24.211 1.00 0.00 O ATOM 558 CB MET A 39 78.739 0.874 -25.033 1.00 0.00 C ATOM 559 CG MET A 39 79.063 -0.588 -24.723 1.00 0.00 C ATOM 560 SD MET A 39 77.909 -1.662 -25.614 1.00 0.00 S ATOM 561 CE MET A 39 78.553 -1.376 -27.285 1.00 0.00 C ATOM 0 H MET A 39 79.373 0.649 -22.664 1.00 0.00 H new ATOM 0 HA MET A 39 80.766 1.586 -24.871 1.00 0.00 H new ATOM 0 HB2 MET A 39 77.752 1.130 -24.648 1.00 0.00 H new ATOM 0 HB3 MET A 39 78.712 1.033 -26.111 1.00 0.00 H new ATOM 0 HG2 MET A 39 80.088 -0.815 -25.016 1.00 0.00 H new ATOM 0 HG3 MET A 39 78.991 -0.768 -23.650 1.00 0.00 H new ATOM 0 HE1 MET A 39 78.375 -2.258 -27.900 1.00 0.00 H new ATOM 0 HE2 MET A 39 78.048 -0.518 -27.728 1.00 0.00 H new ATOM 0 HE3 MET A 39 79.624 -1.180 -27.234 1.00 0.00 H new ATOM 571 N SER A 40 78.268 3.482 -25.192 1.00 0.00 N ATOM 572 CA SER A 40 77.777 4.842 -25.433 1.00 0.00 C ATOM 573 C SER A 40 76.457 4.778 -26.216 1.00 0.00 C ATOM 574 O SER A 40 75.555 4.038 -25.829 1.00 0.00 O ATOM 575 CB SER A 40 78.817 5.686 -26.197 1.00 0.00 C ATOM 576 OG SER A 40 79.892 6.024 -25.331 1.00 0.00 O ATOM 0 H SER A 40 77.638 2.748 -25.517 1.00 0.00 H new ATOM 0 HA SER A 40 77.605 5.325 -24.471 1.00 0.00 H new ATOM 0 HB2 SER A 40 79.191 5.129 -27.056 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.351 6.592 -26.584 1.00 0.00 H new ATOM 0 HG SER A 40 79.953 5.362 -24.611 1.00 0.00 H new ATOM 582 N MET A 41 76.357 5.579 -27.293 1.00 0.00 N ATOM 583 CA MET A 41 75.153 5.666 -28.141 1.00 0.00 C ATOM 584 C MET A 41 73.984 4.837 -27.611 1.00 0.00 C ATOM 585 O MET A 41 73.926 3.623 -27.807 1.00 0.00 O ATOM 586 CB MET A 41 75.484 5.230 -29.575 1.00 0.00 C ATOM 587 CG MET A 41 76.326 3.942 -29.565 1.00 0.00 C ATOM 588 SD MET A 41 75.944 2.970 -31.045 1.00 0.00 S ATOM 589 CE MET A 41 77.347 1.835 -30.944 1.00 0.00 C ATOM 0 H MET A 41 77.115 6.188 -27.602 1.00 0.00 H new ATOM 0 HA MET A 41 74.839 6.710 -28.126 1.00 0.00 H new ATOM 0 HB2 MET A 41 74.562 5.065 -30.133 1.00 0.00 H new ATOM 0 HB3 MET A 41 76.029 6.024 -30.086 1.00 0.00 H new ATOM 0 HG2 MET A 41 77.388 4.187 -29.540 1.00 0.00 H new ATOM 0 HG3 MET A 41 76.112 3.360 -28.668 1.00 0.00 H new ATOM 0 HE1 MET A 41 77.308 1.134 -31.777 1.00 0.00 H new ATOM 0 HE2 MET A 41 78.277 2.401 -30.989 1.00 0.00 H new ATOM 0 HE3 MET A 41 77.303 1.285 -30.004 1.00 0.00 H new ATOM 599 N GLY A 42 73.045 5.519 -26.963 1.00 0.00 N ATOM 600 CA GLY A 42 71.854 4.867 -26.428 1.00 0.00 C ATOM 601 C GLY A 42 70.677 5.839 -26.416 1.00 0.00 C ATOM 602 O GLY A 42 69.752 5.696 -25.615 1.00 0.00 O ATOM 0 H GLY A 42 73.086 6.524 -26.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 71.607 3.994 -27.032 1.00 0.00 H new ATOM 0 HA3 GLY A 42 72.050 4.510 -25.417 1.00 0.00 H new ATOM 606 N CYS A 43 70.716 6.828 -27.310 1.00 0.00 N ATOM 607 CA CYS A 43 69.655 7.829 -27.395 1.00 0.00 C ATOM 608 C CYS A 43 68.273 7.177 -27.410 1.00 0.00 C ATOM 609 O CYS A 43 67.693 6.942 -28.470 1.00 0.00 O ATOM 610 CB CYS A 43 69.849 8.667 -28.664 1.00 0.00 C ATOM 611 SG CYS A 43 68.339 9.602 -29.037 1.00 0.00 S ATOM 0 H CYS A 43 71.471 6.956 -27.984 1.00 0.00 H new ATOM 0 HA CYS A 43 69.713 8.468 -26.514 1.00 0.00 H new ATOM 0 HB2 CYS A 43 70.686 9.352 -28.531 1.00 0.00 H new ATOM 0 HB3 CYS A 43 70.099 8.017 -29.503 1.00 0.00 H new ATOM 616 N VAL A 44 67.743 6.922 -26.218 1.00 0.00 N ATOM 617 CA VAL A 44 66.410 6.336 -26.059 1.00 0.00 C ATOM 618 C VAL A 44 65.616 7.215 -25.092 1.00 0.00 C ATOM 619 O VAL A 44 66.006 7.395 -23.936 1.00 0.00 O ATOM 620 CB VAL A 44 66.582 4.885 -25.534 1.00 0.00 C ATOM 621 CG1 VAL A 44 65.263 4.274 -24.972 1.00 0.00 C ATOM 622 CG2 VAL A 44 67.080 4.016 -26.700 1.00 0.00 C ATOM 0 H VAL A 44 68.220 7.113 -25.337 1.00 0.00 H new ATOM 0 HA VAL A 44 65.862 6.292 -27.000 1.00 0.00 H new ATOM 0 HB VAL A 44 67.293 4.911 -24.708 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.452 3.259 -24.622 1.00 0.00 H new ATOM 0 HG12 VAL A 44 64.904 4.883 -24.142 1.00 0.00 H new ATOM 0 HG13 VAL A 44 64.508 4.252 -25.758 1.00 0.00 H new ATOM 0 HG21 VAL A 44 67.210 2.989 -26.359 1.00 0.00 H new ATOM 0 HG22 VAL A 44 66.350 4.040 -27.509 1.00 0.00 H new ATOM 0 HG23 VAL A 44 68.034 4.402 -27.060 1.00 0.00 H new ATOM 632 N SER A 45 64.495 7.755 -25.577 1.00 0.00 N ATOM 633 CA SER A 45 63.651 8.604 -24.742 1.00 0.00 C ATOM 634 C SER A 45 63.245 7.799 -23.522 1.00 0.00 C ATOM 635 O SER A 45 63.273 6.572 -23.560 1.00 0.00 O ATOM 636 CB SER A 45 62.417 9.062 -25.522 1.00 0.00 C ATOM 637 OG SER A 45 61.390 8.091 -25.385 1.00 0.00 O ATOM 0 H SER A 45 64.157 7.621 -26.530 1.00 0.00 H new ATOM 0 HA SER A 45 64.196 9.497 -24.437 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.074 10.027 -25.149 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.667 9.198 -26.574 1.00 0.00 H new ATOM 0 HG SER A 45 60.597 8.381 -25.882 1.00 0.00 H new ATOM 643 N GLY A 46 62.988 8.458 -22.407 1.00 0.00 N ATOM 644 CA GLY A 46 62.755 7.704 -21.193 1.00 0.00 C ATOM 645 C GLY A 46 62.548 8.593 -19.982 1.00 0.00 C ATOM 646 O GLY A 46 62.233 9.775 -20.085 1.00 0.00 O ATOM 0 H GLY A 46 62.937 9.473 -22.317 1.00 0.00 H new ATOM 0 HA2 GLY A 46 61.879 7.070 -21.327 1.00 0.00 H new ATOM 0 HA3 GLY A 46 63.603 7.043 -21.013 1.00 0.00 H new ATOM 650 N CYS A 47 62.736 7.976 -18.829 1.00 0.00 N ATOM 651 CA CYS A 47 62.628 8.632 -17.534 1.00 0.00 C ATOM 652 C CYS A 47 63.625 7.959 -16.571 1.00 0.00 C ATOM 653 O CYS A 47 63.803 6.741 -16.625 1.00 0.00 O ATOM 654 CB CYS A 47 61.179 8.516 -17.008 1.00 0.00 C ATOM 655 SG CYS A 47 60.077 8.102 -18.389 1.00 0.00 S ATOM 0 H CYS A 47 62.973 6.986 -18.763 1.00 0.00 H new ATOM 0 HA CYS A 47 62.866 9.692 -17.617 1.00 0.00 H new ATOM 0 HB2 CYS A 47 61.119 7.748 -16.236 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.870 9.455 -16.548 1.00 0.00 H new ATOM 660 N LEU A 48 64.259 8.728 -15.687 1.00 0.00 N ATOM 661 CA LEU A 48 65.204 8.140 -14.727 1.00 0.00 C ATOM 662 C LEU A 48 65.386 9.065 -13.520 1.00 0.00 C ATOM 663 O LEU A 48 65.067 10.251 -13.585 1.00 0.00 O ATOM 664 CB LEU A 48 66.571 7.872 -15.401 1.00 0.00 C ATOM 665 CG LEU A 48 67.296 6.676 -14.719 1.00 0.00 C ATOM 666 CD1 LEU A 48 66.906 5.327 -15.392 1.00 0.00 C ATOM 667 CD2 LEU A 48 68.827 6.884 -14.793 1.00 0.00 C ATOM 0 H LEU A 48 64.143 9.739 -15.612 1.00 0.00 H new ATOM 0 HA LEU A 48 64.793 7.191 -14.383 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.424 7.659 -16.460 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.194 8.764 -15.339 1.00 0.00 H new ATOM 0 HG LEU A 48 66.985 6.634 -13.675 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.427 4.509 -14.895 1.00 0.00 H new ATOM 0 HD12 LEU A 48 65.830 5.176 -15.308 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.188 5.351 -16.445 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.332 6.045 -14.315 1.00 0.00 H new ATOM 0 HD22 LEU A 48 69.136 6.946 -15.837 1.00 0.00 H new ATOM 0 HD23 LEU A 48 69.094 7.808 -14.280 1.00 0.00 H new ATOM 679 N CYS A 49 65.898 8.513 -12.422 1.00 0.00 N ATOM 680 CA CYS A 49 66.112 9.297 -11.208 1.00 0.00 C ATOM 681 C CYS A 49 67.198 10.357 -11.439 1.00 0.00 C ATOM 682 O CYS A 49 68.001 10.242 -12.365 1.00 0.00 O ATOM 683 CB CYS A 49 66.515 8.357 -10.050 1.00 0.00 C ATOM 684 SG CYS A 49 65.130 8.145 -8.899 1.00 0.00 S ATOM 0 H CYS A 49 66.171 7.533 -12.348 1.00 0.00 H new ATOM 0 HA CYS A 49 65.186 9.809 -10.947 1.00 0.00 H new ATOM 0 HB2 CYS A 49 66.818 7.388 -10.448 1.00 0.00 H new ATOM 0 HB3 CYS A 49 67.376 8.768 -9.522 1.00 0.00 H new ATOM 689 N PRO A 50 67.242 11.374 -10.610 1.00 0.00 N ATOM 690 CA PRO A 50 68.255 12.457 -10.725 1.00 0.00 C ATOM 691 C PRO A 50 69.634 11.897 -11.117 1.00 0.00 C ATOM 692 O PRO A 50 70.188 11.078 -10.383 1.00 0.00 O ATOM 693 CB PRO A 50 68.282 13.054 -9.311 1.00 0.00 C ATOM 694 CG PRO A 50 66.897 12.846 -8.771 1.00 0.00 C ATOM 695 CD PRO A 50 66.330 11.599 -9.471 1.00 0.00 C ATOM 0 HA PRO A 50 68.014 13.187 -11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 50 69.026 12.558 -8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.541 14.113 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 50 66.920 12.706 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.271 13.717 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 50 66.312 10.740 -8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 50 65.306 11.763 -9.807 1.00 0.00 H new ATOM 703 N PRO A 51 70.200 12.292 -12.238 1.00 0.00 N ATOM 704 CA PRO A 51 71.532 11.766 -12.664 1.00 0.00 C ATOM 705 C PRO A 51 72.537 11.729 -11.507 1.00 0.00 C ATOM 706 O PRO A 51 72.902 12.769 -10.958 1.00 0.00 O ATOM 707 CB PRO A 51 71.980 12.748 -13.760 1.00 0.00 C ATOM 708 CG PRO A 51 70.716 13.329 -14.324 1.00 0.00 C ATOM 709 CD PRO A 51 69.656 13.260 -13.212 1.00 0.00 C ATOM 0 HA PRO A 51 71.473 10.735 -13.013 1.00 0.00 H new ATOM 0 HB2 PRO A 51 72.621 13.528 -13.349 1.00 0.00 H new ATOM 0 HB3 PRO A 51 72.555 12.237 -14.532 1.00 0.00 H new ATOM 0 HG2 PRO A 51 70.874 14.359 -14.643 1.00 0.00 H new ATOM 0 HG3 PRO A 51 70.392 12.769 -15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 51 69.498 14.236 -12.754 1.00 0.00 H new ATOM 0 HD3 PRO A 51 68.693 12.931 -13.602 1.00 0.00 H new ATOM 717 N GLY A 52 72.997 10.523 -11.158 1.00 0.00 N ATOM 718 CA GLY A 52 73.973 10.350 -10.075 1.00 0.00 C ATOM 719 C GLY A 52 73.561 9.216 -9.139 1.00 0.00 C ATOM 720 O GLY A 52 74.227 8.961 -8.135 1.00 0.00 O ATOM 0 H GLY A 52 72.710 9.654 -11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 52 74.955 10.138 -10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.062 11.278 -9.510 1.00 0.00 H new ATOM 724 N MET A 53 72.494 8.509 -9.498 1.00 0.00 N ATOM 725 CA MET A 53 72.037 7.359 -8.699 1.00 0.00 C ATOM 726 C MET A 53 72.011 6.094 -9.555 1.00 0.00 C ATOM 727 O MET A 53 72.026 6.167 -10.785 1.00 0.00 O ATOM 728 CB MET A 53 70.651 7.630 -8.100 1.00 0.00 C ATOM 729 CG MET A 53 70.714 8.862 -7.180 1.00 0.00 C ATOM 730 SD MET A 53 69.444 8.719 -5.887 1.00 0.00 S ATOM 731 CE MET A 53 68.554 10.277 -6.164 1.00 0.00 C ATOM 0 H MET A 53 71.930 8.703 -10.326 1.00 0.00 H new ATOM 0 HA MET A 53 72.740 7.210 -7.879 1.00 0.00 H new ATOM 0 HB2 MET A 53 69.926 7.796 -8.897 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.312 6.761 -7.537 1.00 0.00 H new ATOM 0 HG2 MET A 53 71.702 8.941 -6.727 1.00 0.00 H new ATOM 0 HG3 MET A 53 70.556 9.771 -7.760 1.00 0.00 H new ATOM 0 HE1 MET A 53 67.733 10.358 -5.452 1.00 0.00 H new ATOM 0 HE2 MET A 53 69.237 11.115 -6.028 1.00 0.00 H new ATOM 0 HE3 MET A 53 68.157 10.294 -7.179 1.00 0.00 H new ATOM 741 N VAL A 54 72.018 4.925 -8.893 1.00 0.00 N ATOM 742 CA VAL A 54 72.049 3.634 -9.607 1.00 0.00 C ATOM 743 C VAL A 54 70.763 2.837 -9.353 1.00 0.00 C ATOM 744 O VAL A 54 70.090 3.033 -8.340 1.00 0.00 O ATOM 745 CB VAL A 54 73.274 2.808 -9.141 1.00 0.00 C ATOM 746 CG1 VAL A 54 74.568 3.617 -9.345 1.00 0.00 C ATOM 747 CG2 VAL A 54 73.152 2.439 -7.646 1.00 0.00 C ATOM 0 H VAL A 54 72.003 4.845 -7.876 1.00 0.00 H new ATOM 0 HA VAL A 54 72.126 3.834 -10.676 1.00 0.00 H new ATOM 0 HB VAL A 54 73.307 1.895 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.422 3.026 -9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 54 74.682 3.860 -10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.517 4.538 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 54 74.024 1.859 -7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.096 3.350 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 54 72.250 1.847 -7.490 1.00 0.00 H new ATOM 757 N ARG A 55 70.441 1.929 -10.278 1.00 0.00 N ATOM 758 CA ARG A 55 69.245 1.091 -10.148 1.00 0.00 C ATOM 759 C ARG A 55 69.491 -0.044 -9.147 1.00 0.00 C ATOM 760 O ARG A 55 70.468 -0.786 -9.268 1.00 0.00 O ATOM 761 CB ARG A 55 68.896 0.448 -11.523 1.00 0.00 C ATOM 762 CG ARG A 55 67.682 1.144 -12.191 1.00 0.00 C ATOM 763 CD ARG A 55 68.097 2.427 -12.954 1.00 0.00 C ATOM 764 NE ARG A 55 67.596 2.357 -14.329 1.00 0.00 N ATOM 765 CZ ARG A 55 68.370 1.981 -15.351 1.00 0.00 C ATOM 766 NH1 ARG A 55 69.629 1.685 -15.163 1.00 0.00 N ATOM 767 NH2 ARG A 55 67.861 1.904 -16.549 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.988 1.755 -11.121 1.00 0.00 H new ATOM 0 HA ARG A 55 68.427 1.723 -9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 55 69.760 0.511 -12.184 1.00 0.00 H new ATOM 0 HB3 ARG A 55 68.677 -0.611 -11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 55 67.201 0.451 -12.881 1.00 0.00 H new ATOM 0 HG3 ARG A 55 66.945 1.398 -11.429 1.00 0.00 H new ATOM 0 HD2 ARG A 55 67.695 3.308 -12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 55 69.182 2.528 -12.955 1.00 0.00 H new ATOM 0 HE ARG A 55 66.623 2.604 -14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.032 1.740 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 55 70.209 1.399 -15.952 1.00 0.00 H new ATOM 0 HH21 ARG A 55 66.878 2.130 -16.701 1.00 0.00 H new ATOM 0 HH22 ARG A 55 68.446 1.618 -17.334 1.00 0.00 H new ATOM 781 N HIS A 56 68.570 -0.220 -8.203 1.00 0.00 N ATOM 782 CA HIS A 56 68.663 -1.318 -7.247 1.00 0.00 C ATOM 783 C HIS A 56 67.246 -1.782 -6.871 1.00 0.00 C ATOM 784 O HIS A 56 66.640 -1.285 -5.923 1.00 0.00 O ATOM 785 CB HIS A 56 69.461 -0.861 -6.004 1.00 0.00 C ATOM 786 CG HIS A 56 70.873 -1.400 -6.050 1.00 0.00 C ATOM 787 ND1 HIS A 56 71.757 -1.073 -7.067 1.00 0.00 N ATOM 788 CD2 HIS A 56 71.561 -2.247 -5.214 1.00 0.00 C ATOM 789 CE1 HIS A 56 72.916 -1.713 -6.820 1.00 0.00 C ATOM 790 NE2 HIS A 56 72.849 -2.443 -5.704 1.00 0.00 N ATOM 0 H HIS A 56 67.755 0.381 -8.080 1.00 0.00 H new ATOM 0 HA HIS A 56 69.193 -2.161 -7.691 1.00 0.00 H new ATOM 0 HB2 HIS A 56 69.483 0.228 -5.959 1.00 0.00 H new ATOM 0 HB3 HIS A 56 68.963 -1.207 -5.098 1.00 0.00 H new ATOM 0 HD1 HIS A 56 71.564 -0.459 -7.859 1.00 0.00 H new ATOM 0 HD2 HIS A 56 71.163 -2.692 -4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 56 73.792 -1.644 -7.448 1.00 0.00 H new ATOM 798 N GLU A 57 66.754 -2.754 -7.635 1.00 0.00 N ATOM 799 CA GLU A 57 65.425 -3.329 -7.414 1.00 0.00 C ATOM 800 C GLU A 57 64.319 -2.383 -7.920 1.00 0.00 C ATOM 801 O GLU A 57 63.292 -2.201 -7.263 1.00 0.00 O ATOM 802 CB GLU A 57 65.243 -3.638 -5.912 1.00 0.00 C ATOM 803 CG GLU A 57 64.242 -4.811 -5.678 1.00 0.00 C ATOM 804 CD GLU A 57 64.779 -5.770 -4.609 1.00 0.00 C ATOM 805 OE1 GLU A 57 64.934 -5.342 -3.478 1.00 0.00 O ATOM 806 OE2 GLU A 57 65.029 -6.917 -4.945 1.00 0.00 O1- ATOM 0 H GLU A 57 67.259 -3.165 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 57 65.343 -4.256 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 57 66.208 -3.891 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 57 64.884 -2.746 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 57 63.275 -4.415 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 57 64.081 -5.351 -6.611 1.00 0.00 H new ATOM 813 N ASN A 58 64.577 -1.772 -9.081 1.00 0.00 N ATOM 814 CA ASN A 58 63.639 -0.824 -9.713 1.00 0.00 C ATOM 815 C ASN A 58 63.436 0.438 -8.861 1.00 0.00 C ATOM 816 O ASN A 58 62.466 1.172 -9.059 1.00 0.00 O ATOM 817 CB ASN A 58 62.271 -1.493 -9.974 1.00 0.00 C ATOM 818 CG ASN A 58 62.309 -2.349 -11.238 1.00 0.00 C ATOM 819 OD1 ASN A 58 63.201 -2.197 -12.072 1.00 0.00 O ATOM 820 ND2 ASN A 58 61.375 -3.243 -11.432 1.00 0.00 N ATOM 0 H ASN A 58 65.436 -1.916 -9.611 1.00 0.00 H new ATOM 0 HA ASN A 58 64.085 -0.528 -10.663 1.00 0.00 H new ATOM 0 HB2 ASN A 58 61.997 -2.112 -9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 58 61.501 -0.727 -10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 58 61.385 -3.816 -12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 58 60.636 -3.368 -10.740 1.00 0.00 H new ATOM 827 N ARG A 59 64.359 0.705 -7.939 1.00 0.00 N ATOM 828 CA ARG A 59 64.283 1.897 -7.082 1.00 0.00 C ATOM 829 C ARG A 59 65.630 2.608 -7.080 1.00 0.00 C ATOM 830 O ARG A 59 66.657 2.002 -7.389 1.00 0.00 O ATOM 831 CB ARG A 59 63.901 1.472 -5.658 1.00 0.00 C ATOM 832 CG ARG A 59 62.426 1.010 -5.651 1.00 0.00 C ATOM 833 CD ARG A 59 62.154 0.037 -4.492 1.00 0.00 C ATOM 834 NE ARG A 59 61.984 0.753 -3.226 1.00 0.00 N ATOM 835 CZ ARG A 59 60.774 1.086 -2.763 1.00 0.00 C ATOM 836 NH1 ARG A 59 59.701 0.818 -3.460 1.00 0.00 N ATOM 837 NH2 ARG A 59 60.662 1.681 -1.608 1.00 0.00 N1+ ATOM 0 H ARG A 59 65.171 0.114 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 59 63.526 2.582 -7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 59 64.550 0.665 -5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 59 64.039 2.304 -4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 59 61.771 1.877 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 59 62.189 0.526 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 59 61.258 -0.546 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 59 62.980 -0.669 -4.405 1.00 0.00 H new ATOM 0 HE ARG A 59 62.810 1.004 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 59 59.783 0.352 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 59 58.782 1.075 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 59 61.496 1.892 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.740 1.936 -1.253 1.00 0.00 H new ATOM 851 N CYS A 60 65.626 3.900 -6.773 1.00 0.00 N ATOM 852 CA CYS A 60 66.860 4.681 -6.782 1.00 0.00 C ATOM 853 C CYS A 60 67.564 4.610 -5.429 1.00 0.00 C ATOM 854 O CYS A 60 66.925 4.678 -4.379 1.00 0.00 O ATOM 855 CB CYS A 60 66.540 6.142 -7.116 1.00 0.00 C ATOM 856 SG CYS A 60 65.232 6.197 -8.367 1.00 0.00 S ATOM 0 H CYS A 60 64.791 4.426 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 60 67.525 4.264 -7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 60 66.222 6.671 -6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 60 67.433 6.647 -7.484 1.00 0.00 H new ATOM 861 N VAL A 61 68.894 4.513 -5.467 1.00 0.00 N ATOM 862 CA VAL A 61 69.697 4.483 -4.240 1.00 0.00 C ATOM 863 C VAL A 61 70.910 5.394 -4.363 1.00 0.00 C ATOM 864 O VAL A 61 71.331 5.745 -5.464 1.00 0.00 O ATOM 865 CB VAL A 61 70.182 3.066 -3.925 1.00 0.00 C ATOM 866 CG1 VAL A 61 68.989 2.148 -3.574 1.00 0.00 C ATOM 867 CG2 VAL A 61 70.933 2.516 -5.142 1.00 0.00 C ATOM 0 H VAL A 61 69.437 4.454 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 61 69.054 4.831 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 61 70.849 3.096 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 61 69.354 1.145 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 61 68.469 2.545 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 61 68.301 2.106 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 61 71.283 1.506 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 70.264 2.493 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 61 71.787 3.157 -5.363 1.00 0.00 H new ATOM 877 N ALA A 62 71.474 5.753 -3.214 1.00 0.00 N ATOM 878 CA ALA A 62 72.655 6.611 -3.172 1.00 0.00 C ATOM 879 C ALA A 62 73.928 5.765 -3.195 1.00 0.00 C ATOM 880 O ALA A 62 73.957 4.649 -2.676 1.00 0.00 O ATOM 881 CB ALA A 62 72.622 7.466 -1.907 1.00 0.00 C ATOM 0 H ALA A 62 71.132 5.463 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 62 72.652 7.260 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 62 73.504 8.106 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 62 71.725 8.085 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 62 72.614 6.818 -1.030 1.00 0.00 H new ATOM 887 N LEU A 63 74.955 6.284 -3.870 1.00 0.00 N ATOM 888 CA LEU A 63 76.217 5.554 -4.046 1.00 0.00 C ATOM 889 C LEU A 63 76.570 4.710 -2.814 1.00 0.00 C ATOM 890 O LEU A 63 76.740 3.499 -2.917 1.00 0.00 O ATOM 891 CB LEU A 63 77.376 6.541 -4.317 1.00 0.00 C ATOM 892 CG LEU A 63 77.420 6.957 -5.807 1.00 0.00 C ATOM 893 CD1 LEU A 63 76.296 7.968 -6.125 1.00 0.00 C ATOM 894 CD2 LEU A 63 78.791 7.589 -6.131 1.00 0.00 C ATOM 0 H LEU A 63 74.940 7.207 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 63 76.080 4.887 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.256 7.427 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.323 6.079 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 63 77.272 6.067 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.345 8.247 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 63 75.328 7.514 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 63 76.421 8.857 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 63 78.818 7.881 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.943 8.469 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.581 6.864 -5.935 1.00 0.00 H new ATOM 906 N GLU A 64 76.762 5.366 -1.676 1.00 0.00 N ATOM 907 CA GLU A 64 77.177 4.676 -0.456 1.00 0.00 C ATOM 908 C GLU A 64 76.430 3.361 -0.253 1.00 0.00 C ATOM 909 O GLU A 64 76.893 2.488 0.479 1.00 0.00 O ATOM 910 CB GLU A 64 76.923 5.592 0.744 1.00 0.00 C ATOM 911 CG GLU A 64 75.412 5.877 0.871 1.00 0.00 C ATOM 912 CD GLU A 64 75.168 7.210 1.580 1.00 0.00 C ATOM 913 OE1 GLU A 64 75.982 8.106 1.424 1.00 0.00 O ATOM 914 OE2 GLU A 64 74.157 7.322 2.254 1.00 0.00 O1- ATOM 0 H GLU A 64 76.638 6.373 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 64 78.237 4.441 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 64 77.292 5.123 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 64 77.470 6.527 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 64 74.957 5.898 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.931 5.072 1.426 1.00 0.00 H new ATOM 921 N ARG A 65 75.255 3.241 -0.855 1.00 0.00 N ATOM 922 CA ARG A 65 74.433 2.044 -0.679 1.00 0.00 C ATOM 923 C ARG A 65 74.862 0.916 -1.624 1.00 0.00 C ATOM 924 O ARG A 65 74.431 -0.227 -1.466 1.00 0.00 O ATOM 925 CB ARG A 65 72.958 2.418 -0.908 1.00 0.00 C ATOM 926 CG ARG A 65 72.003 1.531 -0.067 1.00 0.00 C ATOM 927 CD ARG A 65 70.743 2.325 0.322 1.00 0.00 C ATOM 928 NE ARG A 65 70.951 2.982 1.611 1.00 0.00 N ATOM 929 CZ ARG A 65 70.988 2.274 2.737 1.00 0.00 C ATOM 930 NH1 ARG A 65 70.878 0.975 2.688 1.00 0.00 N ATOM 931 NH2 ARG A 65 71.149 2.872 3.886 1.00 0.00 N1+ ATOM 0 H ARG A 65 74.849 3.950 -1.466 1.00 0.00 H new ATOM 0 HA ARG A 65 74.567 1.671 0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 65 72.804 3.466 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 65 72.716 2.312 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 65 71.722 0.645 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 65 72.514 1.184 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 65 70.519 3.068 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 65 69.884 1.657 0.378 1.00 0.00 H new ATOM 0 HE ARG A 65 71.069 3.994 1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 65 70.764 0.506 1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 65 70.906 0.428 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 65 71.247 3.887 3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 65 71.177 2.325 4.746 1.00 0.00 H new ATOM 945 N CYS A 66 75.708 1.228 -2.600 1.00 0.00 N ATOM 946 CA CYS A 66 76.164 0.210 -3.543 1.00 0.00 C ATOM 947 C CYS A 66 76.776 -0.973 -2.764 1.00 0.00 C ATOM 948 O CYS A 66 77.814 -0.807 -2.126 1.00 0.00 O ATOM 949 CB CYS A 66 77.231 0.805 -4.479 1.00 0.00 C ATOM 950 SG CYS A 66 77.783 -0.460 -5.660 1.00 0.00 S ATOM 0 H CYS A 66 76.087 2.161 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 66 75.316 -0.136 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 66 76.822 1.662 -5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 66 78.078 1.167 -3.897 1.00 0.00 H new ATOM 955 N PRO A 67 76.156 -2.146 -2.762 1.00 0.00 N ATOM 956 CA PRO A 67 76.686 -3.323 -1.990 1.00 0.00 C ATOM 957 C PRO A 67 78.010 -3.863 -2.529 1.00 0.00 C ATOM 958 O PRO A 67 78.373 -3.641 -3.685 1.00 0.00 O ATOM 959 CB PRO A 67 75.568 -4.376 -2.115 1.00 0.00 C ATOM 960 CG PRO A 67 74.856 -4.026 -3.377 1.00 0.00 C ATOM 961 CD PRO A 67 74.906 -2.502 -3.477 1.00 0.00 C ATOM 0 HA PRO A 67 76.916 -3.047 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 67 75.978 -5.385 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 67 74.895 -4.342 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 67 75.337 -4.490 -4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 67 73.826 -4.383 -3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 67 74.929 -2.169 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 67 74.034 -2.041 -3.013 1.00 0.00 H new ATOM 969 N CYS A 68 78.708 -4.606 -1.667 1.00 0.00 N ATOM 970 CA CYS A 68 79.976 -5.227 -2.032 1.00 0.00 C ATOM 971 C CYS A 68 79.709 -6.551 -2.751 1.00 0.00 C ATOM 972 O CYS A 68 78.699 -7.206 -2.496 1.00 0.00 O ATOM 973 CB CYS A 68 80.828 -5.463 -0.760 1.00 0.00 C ATOM 974 SG CYS A 68 82.274 -4.369 -0.759 1.00 0.00 S ATOM 0 H CYS A 68 78.412 -4.791 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 68 80.527 -4.567 -2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 68 80.225 -5.280 0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 68 81.151 -6.503 -0.718 1.00 0.00 H new ATOM 979 N PHE A 69 80.602 -6.925 -3.674 1.00 0.00 N ATOM 980 CA PHE A 69 80.436 -8.158 -4.453 1.00 0.00 C ATOM 981 C PHE A 69 81.577 -9.145 -4.183 1.00 0.00 C ATOM 982 O PHE A 69 82.748 -8.768 -4.179 1.00 0.00 O ATOM 983 CB PHE A 69 80.380 -7.811 -5.952 1.00 0.00 C ATOM 984 CG PHE A 69 81.268 -6.620 -6.225 1.00 0.00 C ATOM 985 CD1 PHE A 69 80.773 -5.328 -6.013 1.00 0.00 C ATOM 986 CD2 PHE A 69 82.577 -6.802 -6.686 1.00 0.00 C ATOM 987 CE1 PHE A 69 81.587 -4.217 -6.260 1.00 0.00 C ATOM 988 CE2 PHE A 69 83.392 -5.690 -6.934 1.00 0.00 C ATOM 989 CZ PHE A 69 82.896 -4.398 -6.721 1.00 0.00 C ATOM 0 H PHE A 69 81.444 -6.395 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 69 79.504 -8.636 -4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 69 80.705 -8.665 -6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.354 -7.589 -6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 69 79.762 -5.189 -5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 69 82.958 -7.799 -6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 69 81.205 -3.220 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 69 84.402 -5.829 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 69 83.524 -3.541 -6.913 1.00 0.00 H new ATOM 999 N HIS A 70 81.220 -10.417 -3.962 1.00 0.00 N ATOM 1000 CA HIS A 70 82.216 -11.464 -3.697 1.00 0.00 C ATOM 1001 C HIS A 70 82.092 -12.586 -4.722 1.00 0.00 C ATOM 1002 O HIS A 70 81.155 -13.383 -4.679 1.00 0.00 O ATOM 1003 CB HIS A 70 82.009 -12.041 -2.294 1.00 0.00 C ATOM 1004 CG HIS A 70 83.204 -12.866 -1.901 1.00 0.00 C ATOM 1005 ND1 HIS A 70 83.158 -14.250 -1.850 1.00 0.00 N ATOM 1006 CD2 HIS A 70 84.480 -12.519 -1.536 1.00 0.00 C ATOM 1007 CE1 HIS A 70 84.372 -14.683 -1.467 1.00 0.00 C ATOM 1008 NE2 HIS A 70 85.217 -13.668 -1.261 1.00 0.00 N ATOM 0 H HIS A 70 80.254 -10.745 -3.961 1.00 0.00 H new ATOM 0 HA HIS A 70 83.209 -11.020 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 70 81.861 -11.234 -1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 70 81.109 -12.655 -2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 70 84.856 -11.509 -1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 70 84.632 -15.724 -1.341 1.00 0.00 H new ATOM 0 HE2 HIS A 70 86.192 -13.723 -0.966 1.00 0.00 H new ATOM 1016 N GLN A 71 83.052 -12.652 -5.634 1.00 0.00 N ATOM 1017 CA GLN A 71 83.057 -13.687 -6.666 1.00 0.00 C ATOM 1018 C GLN A 71 81.629 -13.964 -7.189 1.00 0.00 C ATOM 1019 O GLN A 71 81.234 -15.117 -7.369 1.00 0.00 O ATOM 1020 CB GLN A 71 83.700 -14.982 -6.100 1.00 0.00 C ATOM 1021 CG GLN A 71 85.214 -15.003 -6.378 1.00 0.00 C ATOM 1022 CD GLN A 71 85.911 -13.913 -5.573 1.00 0.00 C ATOM 1023 OE1 GLN A 71 86.149 -14.081 -4.378 1.00 0.00 O ATOM 1024 NE2 GLN A 71 86.249 -12.798 -6.157 1.00 0.00 N ATOM 0 H GLN A 71 83.838 -12.003 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 71 83.649 -13.335 -7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 71 83.521 -15.044 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 71 83.230 -15.855 -6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 71 85.626 -15.978 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 71 85.398 -14.854 -7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 71 86.051 -12.661 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 71 86.712 -12.063 -5.623 1.00 0.00 H new ATOM 1033 N GLY A 72 80.897 -12.897 -7.526 1.00 0.00 N ATOM 1034 CA GLY A 72 79.565 -13.045 -8.131 1.00 0.00 C ATOM 1035 C GLY A 72 78.424 -13.155 -7.111 1.00 0.00 C ATOM 1036 O GLY A 72 77.404 -13.782 -7.398 1.00 0.00 O ATOM 0 H GLY A 72 81.198 -11.931 -7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 72 79.376 -12.191 -8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 72 79.561 -13.934 -8.762 1.00 0.00 H new ATOM 1040 N LYS A 73 78.575 -12.549 -5.931 1.00 0.00 N ATOM 1041 CA LYS A 73 77.523 -12.602 -4.908 1.00 0.00 C ATOM 1042 C LYS A 73 77.309 -11.215 -4.314 1.00 0.00 C ATOM 1043 O LYS A 73 78.237 -10.426 -4.248 1.00 0.00 O ATOM 1044 CB LYS A 73 77.942 -13.607 -3.816 1.00 0.00 C ATOM 1045 CG LYS A 73 77.485 -15.051 -4.190 1.00 0.00 C ATOM 1046 CD LYS A 73 76.182 -15.457 -3.426 1.00 0.00 C ATOM 1047 CE LYS A 73 75.169 -16.100 -4.382 1.00 0.00 C ATOM 1048 NZ LYS A 73 74.442 -15.021 -5.107 1.00 0.00 N1+ ATOM 0 H LYS A 73 79.405 -12.021 -5.660 1.00 0.00 H new ATOM 0 HA LYS A 73 76.583 -12.929 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.024 -13.584 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.504 -13.317 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.312 -15.112 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.281 -15.758 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 73 76.427 -16.155 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 73 75.740 -14.577 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 73 75.680 -16.753 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 73 74.466 -16.721 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 73.417 -15.152 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 74.720 -14.096 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 74.681 -15.061 -6.118 1.00 0.00 H new ATOM 1062 N GLU A 74 76.076 -10.909 -3.904 1.00 0.00 N ATOM 1063 CA GLU A 74 75.766 -9.594 -3.328 1.00 0.00 C ATOM 1064 C GLU A 74 75.620 -9.708 -1.816 1.00 0.00 C ATOM 1065 O GLU A 74 75.202 -10.747 -1.308 1.00 0.00 O ATOM 1066 CB GLU A 74 74.466 -9.057 -3.921 1.00 0.00 C ATOM 1067 CG GLU A 74 74.658 -8.764 -5.407 1.00 0.00 C ATOM 1068 CD GLU A 74 73.320 -8.372 -6.023 1.00 0.00 C ATOM 1069 OE1 GLU A 74 72.369 -9.116 -5.844 1.00 0.00 O ATOM 1070 OE2 GLU A 74 73.258 -7.326 -6.648 1.00 0.00 O1- ATOM 0 H GLU A 74 75.281 -11.546 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 74 76.581 -8.909 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.666 -9.784 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.164 -8.149 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 74 75.382 -7.960 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 74 75.061 -9.642 -5.913 1.00 0.00 H new ATOM 1077 N TYR A 75 75.964 -8.644 -1.092 1.00 0.00 N ATOM 1078 CA TYR A 75 75.864 -8.662 0.368 1.00 0.00 C ATOM 1079 C TYR A 75 75.346 -7.322 0.888 1.00 0.00 C ATOM 1080 O TYR A 75 75.928 -6.273 0.610 1.00 0.00 O ATOM 1081 CB TYR A 75 77.242 -8.952 0.962 1.00 0.00 C ATOM 1082 CG TYR A 75 77.768 -10.252 0.394 1.00 0.00 C ATOM 1083 CD1 TYR A 75 78.285 -10.285 -0.909 1.00 0.00 C ATOM 1084 CD2 TYR A 75 77.745 -11.421 1.165 1.00 0.00 C ATOM 1085 CE1 TYR A 75 78.774 -11.485 -1.439 1.00 0.00 C ATOM 1086 CE2 TYR A 75 78.236 -12.621 0.635 1.00 0.00 C ATOM 1087 CZ TYR A 75 78.750 -12.653 -0.665 1.00 0.00 C ATOM 1088 OH TYR A 75 79.233 -13.837 -1.187 1.00 0.00 O ATOM 0 H TYR A 75 76.310 -7.769 -1.485 1.00 0.00 H new ATOM 0 HA TYR A 75 75.162 -9.440 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 75 77.929 -8.137 0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 75 77.176 -9.017 2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 75 78.306 -9.384 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 75 77.348 -11.397 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 75 79.169 -11.511 -2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 75 78.218 -13.522 1.231 1.00 0.00 H new ATOM 0 HH TYR A 75 79.144 -14.549 -0.520 1.00 0.00 H new ATOM 1098 N ALA A 76 74.254 -7.363 1.648 1.00 0.00 N ATOM 1099 CA ALA A 76 73.673 -6.144 2.203 1.00 0.00 C ATOM 1100 C ALA A 76 74.778 -5.269 2.807 1.00 0.00 C ATOM 1101 O ALA A 76 75.777 -5.792 3.300 1.00 0.00 O ATOM 1102 CB ALA A 76 72.644 -6.507 3.279 1.00 0.00 C ATOM 0 H ALA A 76 73.757 -8.220 1.892 1.00 0.00 H new ATOM 0 HA ALA A 76 73.177 -5.587 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 76 72.212 -5.595 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 76 71.855 -7.115 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.133 -7.069 4.075 1.00 0.00 H new ATOM 1108 N PRO A 77 74.637 -3.961 2.775 1.00 0.00 N ATOM 1109 CA PRO A 77 75.675 -3.040 3.331 1.00 0.00 C ATOM 1110 C PRO A 77 75.853 -3.209 4.842 1.00 0.00 C ATOM 1111 O PRO A 77 74.999 -2.808 5.633 1.00 0.00 O ATOM 1112 CB PRO A 77 75.144 -1.639 2.970 1.00 0.00 C ATOM 1113 CG PRO A 77 73.671 -1.817 2.792 1.00 0.00 C ATOM 1114 CD PRO A 77 73.493 -3.216 2.216 1.00 0.00 C ATOM 0 HA PRO A 77 76.666 -3.236 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 77 75.362 -0.919 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 77 75.609 -1.264 2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.146 -1.715 3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.263 -1.062 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 77 72.542 -3.656 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.512 -3.208 1.126 1.00 0.00 H new ATOM 1122 N GLY A 78 76.973 -3.828 5.227 1.00 0.00 N ATOM 1123 CA GLY A 78 77.283 -4.082 6.640 1.00 0.00 C ATOM 1124 C GLY A 78 77.603 -5.561 6.864 1.00 0.00 C ATOM 1125 O GLY A 78 78.254 -5.923 7.844 1.00 0.00 O ATOM 0 H GLY A 78 77.684 -4.164 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 78 78.131 -3.470 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 78 76.437 -3.789 7.262 1.00 0.00 H new ATOM 1129 N GLU A 79 77.160 -6.407 5.942 1.00 0.00 N ATOM 1130 CA GLU A 79 77.428 -7.840 6.046 1.00 0.00 C ATOM 1131 C GLU A 79 78.868 -8.126 5.621 1.00 0.00 C ATOM 1132 O GLU A 79 79.561 -7.253 5.100 1.00 0.00 O ATOM 1133 CB GLU A 79 76.428 -8.633 5.177 1.00 0.00 C ATOM 1134 CG GLU A 79 75.150 -8.942 5.978 1.00 0.00 C ATOM 1135 CD GLU A 79 74.390 -7.658 6.295 1.00 0.00 C ATOM 1136 OE1 GLU A 79 74.793 -6.617 5.808 1.00 0.00 O1- ATOM 1137 OE2 GLU A 79 73.407 -7.740 7.013 1.00 0.00 O ATOM 0 H GLU A 79 76.619 -6.132 5.122 1.00 0.00 H new ATOM 0 HA GLU A 79 77.302 -8.157 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 79 76.176 -8.059 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 79 76.887 -9.562 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 79 74.512 -9.617 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 79 75.410 -9.455 6.904 1.00 0.00 H new ATOM 1144 N THR A 80 79.320 -9.348 5.883 1.00 0.00 N ATOM 1145 CA THR A 80 80.690 -9.742 5.564 1.00 0.00 C ATOM 1146 C THR A 80 80.780 -11.222 5.237 1.00 0.00 C ATOM 1147 O THR A 80 79.926 -12.015 5.634 1.00 0.00 O ATOM 1148 CB THR A 80 81.613 -9.425 6.750 1.00 0.00 C ATOM 1149 OG1 THR A 80 82.884 -10.018 6.518 1.00 0.00 O ATOM 1150 CG2 THR A 80 81.028 -9.970 8.072 1.00 0.00 C ATOM 0 H THR A 80 78.759 -10.083 6.315 1.00 0.00 H new ATOM 0 HA THR A 80 81.004 -9.177 4.686 1.00 0.00 H new ATOM 0 HB THR A 80 81.708 -8.343 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 80 83.559 -9.315 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 80 81.702 -9.731 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 80 80.056 -9.513 8.256 1.00 0.00 H new ATOM 0 HG23 THR A 80 80.912 -11.051 8.000 1.00 0.00 H new ATOM 1158 N VAL A 81 81.856 -11.591 4.546 1.00 0.00 N ATOM 1159 CA VAL A 81 82.105 -12.988 4.193 1.00 0.00 C ATOM 1160 C VAL A 81 83.360 -13.459 4.898 1.00 0.00 C ATOM 1161 O VAL A 81 84.154 -12.647 5.373 1.00 0.00 O ATOM 1162 CB VAL A 81 82.306 -13.137 2.679 1.00 0.00 C ATOM 1163 CG1 VAL A 81 81.061 -12.612 1.917 1.00 0.00 C ATOM 1164 CG2 VAL A 81 83.575 -12.365 2.242 1.00 0.00 C ATOM 0 H VAL A 81 82.571 -10.941 4.219 1.00 0.00 H new ATOM 0 HA VAL A 81 81.245 -13.584 4.498 1.00 0.00 H new ATOM 0 HB VAL A 81 82.435 -14.192 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 81 81.217 -12.724 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 81 80.183 -13.184 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 81 80.907 -11.559 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 81 83.714 -12.473 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 81 83.462 -11.309 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 81 84.444 -12.768 2.763 1.00 0.00 H new ATOM 1174 N LYS A 82 83.540 -14.775 4.970 1.00 0.00 N ATOM 1175 CA LYS A 82 84.711 -15.350 5.628 1.00 0.00 C ATOM 1176 C LYS A 82 85.344 -16.398 4.710 1.00 0.00 C ATOM 1177 O LYS A 82 84.818 -17.501 4.552 1.00 0.00 O ATOM 1178 CB LYS A 82 84.278 -15.986 6.979 1.00 0.00 C ATOM 1179 CG LYS A 82 84.930 -15.269 8.182 1.00 0.00 C ATOM 1180 CD LYS A 82 84.151 -13.980 8.504 1.00 0.00 C ATOM 1181 CE LYS A 82 84.922 -13.101 9.515 1.00 0.00 C ATOM 1182 NZ LYS A 82 85.338 -11.841 8.840 1.00 0.00 N1+ ATOM 0 H LYS A 82 82.893 -15.462 4.583 1.00 0.00 H new ATOM 0 HA LYS A 82 85.449 -14.574 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 82 83.193 -15.940 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 82 84.554 -17.040 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 82 84.936 -15.928 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 82 85.969 -15.030 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 82 83.978 -13.418 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 82 83.173 -14.235 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 82 84.293 -12.877 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 82 85.796 -13.635 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 85.463 -11.092 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 86.236 -11.996 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 84.606 -11.554 8.159 1.00 0.00 H new ATOM 1196 N ILE A 83 86.475 -16.042 4.109 1.00 0.00 N ATOM 1197 CA ILE A 83 87.193 -16.942 3.200 1.00 0.00 C ATOM 1198 C ILE A 83 88.321 -17.645 3.950 1.00 0.00 C ATOM 1199 O ILE A 83 89.474 -17.229 3.884 1.00 0.00 O ATOM 1200 CB ILE A 83 87.755 -16.152 1.980 1.00 0.00 C ATOM 1201 CG1 ILE A 83 88.304 -14.755 2.453 1.00 0.00 C ATOM 1202 CG2 ILE A 83 86.638 -16.016 0.927 1.00 0.00 C ATOM 1203 CD1 ILE A 83 88.505 -13.733 1.312 1.00 0.00 C ATOM 0 H ILE A 83 86.920 -15.132 4.233 1.00 0.00 H new ATOM 0 HA ILE A 83 86.498 -17.694 2.826 1.00 0.00 H new ATOM 0 HB ILE A 83 88.591 -16.684 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 83 87.614 -14.335 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 83 89.256 -14.905 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 83 87.015 -15.465 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 83 86.314 -17.007 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 83 85.794 -15.479 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 83 88.885 -12.798 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 83 89.220 -14.129 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 83 87.552 -13.550 0.816 1.00 0.00 H new ATOM 1215 N GLY A 84 87.947 -18.733 4.629 1.00 0.00 N ATOM 1216 CA GLY A 84 88.870 -19.581 5.399 1.00 0.00 C ATOM 1217 C GLY A 84 90.207 -18.915 5.734 1.00 0.00 C ATOM 1218 O GLY A 84 90.998 -18.598 4.851 1.00 0.00 O ATOM 0 H GLY A 84 86.980 -19.057 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 84 88.383 -19.878 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 84 89.063 -20.493 4.834 1.00 0.00 H new ATOM 1222 N CYS A 85 90.505 -18.828 7.032 1.00 0.00 N ATOM 1223 CA CYS A 85 91.791 -18.303 7.489 1.00 0.00 C ATOM 1224 C CYS A 85 91.809 -16.771 7.476 1.00 0.00 C ATOM 1225 O CYS A 85 91.871 -16.139 8.531 1.00 0.00 O ATOM 1226 CB CYS A 85 92.928 -18.872 6.620 1.00 0.00 C ATOM 1227 SG CYS A 85 94.380 -19.216 7.636 1.00 0.00 S ATOM 0 H CYS A 85 89.875 -19.113 7.782 1.00 0.00 H new ATOM 0 HA CYS A 85 91.942 -18.619 8.521 1.00 0.00 H new ATOM 0 HB2 CYS A 85 92.596 -19.786 6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 85 93.185 -18.161 5.835 1.00 0.00 H new ATOM 1232 N ASN A 86 91.768 -16.181 6.288 1.00 0.00 N ATOM 1233 CA ASN A 86 91.788 -14.723 6.176 1.00 0.00 C ATOM 1234 C ASN A 86 90.415 -14.133 6.529 1.00 0.00 C ATOM 1235 O ASN A 86 89.372 -14.680 6.165 1.00 0.00 O ATOM 1236 CB ASN A 86 92.217 -14.302 4.748 1.00 0.00 C ATOM 1237 CG ASN A 86 93.701 -13.915 4.715 1.00 0.00 C ATOM 1238 OD1 ASN A 86 94.509 -14.596 4.086 1.00 0.00 O ATOM 1239 ND2 ASN A 86 94.101 -12.850 5.359 1.00 0.00 N ATOM 0 H ASN A 86 91.721 -16.678 5.399 1.00 0.00 H new ATOM 0 HA ASN A 86 92.516 -14.330 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 86 92.035 -15.121 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 86 91.610 -13.460 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.085 -12.582 5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 86 93.429 -12.287 5.880 1.00 0.00 H new ATOM 1246 N THR A 87 90.446 -12.974 7.188 1.00 0.00 N ATOM 1247 CA THR A 87 89.232 -12.237 7.552 1.00 0.00 C ATOM 1248 C THR A 87 89.263 -10.876 6.864 1.00 0.00 C ATOM 1249 O THR A 87 90.262 -10.157 6.931 1.00 0.00 O ATOM 1250 CB THR A 87 89.160 -12.065 9.086 1.00 0.00 C ATOM 1251 OG1 THR A 87 88.680 -13.269 9.667 1.00 0.00 O ATOM 1252 CG2 THR A 87 88.218 -10.908 9.478 1.00 0.00 C ATOM 0 H THR A 87 91.310 -12.520 7.484 1.00 0.00 H new ATOM 0 HA THR A 87 88.349 -12.789 7.229 1.00 0.00 H new ATOM 0 HB THR A 87 90.160 -11.833 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 87 88.634 -13.167 10.641 1.00 0.00 H new ATOM 0 HG21 THR A 87 88.190 -10.814 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 87 88.583 -9.978 9.042 1.00 0.00 H new ATOM 0 HG23 THR A 87 87.215 -11.114 9.105 1.00 0.00 H new ATOM 1260 N CYS A 88 88.176 -10.545 6.161 1.00 0.00 N ATOM 1261 CA CYS A 88 88.098 -9.288 5.415 1.00 0.00 C ATOM 1262 C CYS A 88 86.743 -8.612 5.594 1.00 0.00 C ATOM 1263 O CYS A 88 85.751 -9.257 5.932 1.00 0.00 O ATOM 1264 CB CYS A 88 88.350 -9.558 3.938 1.00 0.00 C ATOM 1265 SG CYS A 88 90.007 -10.262 3.724 1.00 0.00 S ATOM 0 H CYS A 88 87.342 -11.128 6.094 1.00 0.00 H new ATOM 0 HA CYS A 88 88.860 -8.614 5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 88 87.599 -10.246 3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 88 88.260 -8.633 3.368 1.00 0.00 H new ATOM 1270 N VAL A 89 86.719 -7.296 5.367 1.00 0.00 N ATOM 1271 CA VAL A 89 85.496 -6.500 5.500 1.00 0.00 C ATOM 1272 C VAL A 89 85.397 -5.478 4.354 1.00 0.00 C ATOM 1273 O VAL A 89 86.397 -4.895 3.933 1.00 0.00 O ATOM 1274 CB VAL A 89 85.502 -5.799 6.891 1.00 0.00 C ATOM 1275 CG1 VAL A 89 84.898 -4.391 6.817 1.00 0.00 C ATOM 1276 CG2 VAL A 89 84.708 -6.627 7.919 1.00 0.00 C ATOM 0 H VAL A 89 87.539 -6.756 5.088 1.00 0.00 H new ATOM 0 HA VAL A 89 84.620 -7.146 5.435 1.00 0.00 H new ATOM 0 HB VAL A 89 86.543 -5.720 7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 89 84.919 -3.933 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 89 85.478 -3.782 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 89 83.867 -4.455 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 89 84.724 -6.121 8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 89 83.677 -6.733 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 89 85.161 -7.614 8.019 1.00 0.00 H new ATOM 1286 N CYS A 90 84.173 -5.282 3.862 1.00 0.00 N ATOM 1287 CA CYS A 90 83.907 -4.345 2.767 1.00 0.00 C ATOM 1288 C CYS A 90 84.048 -2.895 3.212 1.00 0.00 C ATOM 1289 O CYS A 90 83.333 -2.422 4.094 1.00 0.00 O ATOM 1290 CB CYS A 90 82.489 -4.568 2.244 1.00 0.00 C ATOM 1291 SG CYS A 90 82.118 -3.340 0.970 1.00 0.00 S ATOM 0 H CYS A 90 83.343 -5.764 4.207 1.00 0.00 H new ATOM 0 HA CYS A 90 84.642 -4.532 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 90 82.395 -5.573 1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 90 81.772 -4.489 3.061 1.00 0.00 H new ATOM 1296 N ARG A 91 84.936 -2.188 2.533 1.00 0.00 N ATOM 1297 CA ARG A 91 85.142 -0.770 2.776 1.00 0.00 C ATOM 1298 C ARG A 91 85.780 -0.176 1.521 1.00 0.00 C ATOM 1299 O ARG A 91 86.691 -0.772 0.950 1.00 0.00 O ATOM 1300 CB ARG A 91 86.043 -0.564 4.021 1.00 0.00 C ATOM 1301 CG ARG A 91 85.513 0.606 4.865 1.00 0.00 C ATOM 1302 CD ARG A 91 86.497 0.942 5.990 1.00 0.00 C ATOM 1303 NE ARG A 91 86.541 -0.134 6.976 1.00 0.00 N ATOM 1304 CZ ARG A 91 85.529 -0.337 7.816 1.00 0.00 C ATOM 1305 NH1 ARG A 91 84.453 0.396 7.726 1.00 0.00 N ATOM 1306 NH2 ARG A 91 85.607 -1.271 8.726 1.00 0.00 N1+ ATOM 0 H ARG A 91 85.531 -2.578 1.802 1.00 0.00 H new ATOM 0 HA ARG A 91 84.196 -0.269 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 91 86.064 -1.475 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 91 87.068 -0.363 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.362 1.480 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 91 84.542 0.347 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 91 87.492 1.102 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.200 1.873 6.473 1.00 0.00 H new ATOM 0 HE ARG A 91 87.360 -0.740 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.389 1.123 7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 91 83.676 0.242 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.446 -1.848 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 91 84.829 -1.424 9.368 1.00 0.00 H new ATOM 1320 N ASP A 92 85.231 0.937 1.042 1.00 0.00 N ATOM 1321 CA ASP A 92 85.696 1.540 -0.201 1.00 0.00 C ATOM 1322 C ASP A 92 85.390 0.607 -1.363 1.00 0.00 C ATOM 1323 O ASP A 92 86.179 0.476 -2.300 1.00 0.00 O ATOM 1324 CB ASP A 92 87.196 1.839 -0.151 1.00 0.00 C ATOM 1325 CG ASP A 92 87.533 2.584 1.134 1.00 0.00 C ATOM 1326 OD1 ASP A 92 86.612 2.908 1.863 1.00 0.00 O1- ATOM 1327 OD2 ASP A 92 88.708 2.809 1.375 1.00 0.00 O ATOM 0 H ASP A 92 84.466 1.437 1.495 1.00 0.00 H new ATOM 0 HA ASP A 92 85.173 2.486 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 92 87.763 0.909 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 92 87.486 2.437 -1.015 1.00 0.00 H new ATOM 1332 N ARG A 93 84.233 -0.048 -1.284 1.00 0.00 N ATOM 1333 CA ARG A 93 83.812 -0.979 -2.323 1.00 0.00 C ATOM 1334 C ARG A 93 84.880 -2.049 -2.532 1.00 0.00 C ATOM 1335 O ARG A 93 85.058 -2.546 -3.644 1.00 0.00 O ATOM 1336 CB ARG A 93 83.597 -0.234 -3.649 1.00 0.00 C ATOM 1337 CG ARG A 93 82.678 1.000 -3.459 1.00 0.00 C ATOM 1338 CD ARG A 93 81.205 0.629 -3.685 1.00 0.00 C ATOM 1339 NE ARG A 93 80.719 -0.236 -2.614 1.00 0.00 N ATOM 1340 CZ ARG A 93 80.307 0.270 -1.456 1.00 0.00 C ATOM 1341 NH1 ARG A 93 80.382 1.556 -1.246 1.00 0.00 N ATOM 1342 NH2 ARG A 93 79.830 -0.515 -0.528 1.00 0.00 N1+ ATOM 0 H ARG A 93 83.573 0.050 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 93 82.878 -1.444 -2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 93 84.559 0.085 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 93 83.155 -0.910 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 93 82.805 1.402 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 93 82.970 1.786 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 93 80.600 1.534 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 93 81.095 0.124 -4.645 1.00 0.00 H new ATOM 0 HE ARG A 93 80.695 -1.246 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 93 80.756 2.170 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 93 80.067 1.947 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 93 79.773 -1.520 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 93 79.515 -0.123 0.359 1.00 0.00 H new ATOM 1356 N LYS A 94 85.613 -2.381 -1.467 1.00 0.00 N ATOM 1357 CA LYS A 94 86.686 -3.369 -1.563 1.00 0.00 C ATOM 1358 C LYS A 94 86.787 -4.156 -0.266 1.00 0.00 C ATOM 1359 O LYS A 94 86.410 -3.667 0.796 1.00 0.00 O ATOM 1360 CB LYS A 94 88.013 -2.655 -1.849 1.00 0.00 C ATOM 1361 CG LYS A 94 89.178 -3.652 -1.761 1.00 0.00 C ATOM 1362 CD LYS A 94 90.475 -3.043 -2.331 1.00 0.00 C ATOM 1363 CE LYS A 94 90.643 -1.580 -1.896 1.00 0.00 C ATOM 1364 NZ LYS A 94 90.505 -1.473 -0.416 1.00 0.00 N1+ ATOM 0 H LYS A 94 85.484 -1.983 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 94 86.467 -4.061 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 94 87.985 -2.203 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 94 88.161 -1.846 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 94 89.335 -3.942 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 94 88.927 -4.559 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 94 91.332 -3.626 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 94 90.459 -3.101 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 94 91.620 -1.209 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 94 89.894 -0.957 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 89.624 -0.970 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 90.479 -2.426 0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 91.315 -0.948 -0.029 1.00 0.00 H new ATOM 1378 N TRP A 95 87.360 -5.353 -0.351 1.00 0.00 N ATOM 1379 CA TRP A 95 87.570 -6.182 0.825 1.00 0.00 C ATOM 1380 C TRP A 95 88.849 -5.734 1.525 1.00 0.00 C ATOM 1381 O TRP A 95 89.945 -6.162 1.162 1.00 0.00 O ATOM 1382 CB TRP A 95 87.653 -7.654 0.390 1.00 0.00 C ATOM 1383 CG TRP A 95 86.282 -8.140 0.026 1.00 0.00 C ATOM 1384 CD1 TRP A 95 85.841 -8.340 -1.236 1.00 0.00 C ATOM 1385 CD2 TRP A 95 85.170 -8.482 0.907 1.00 0.00 C ATOM 1386 NE1 TRP A 95 84.529 -8.777 -1.189 1.00 0.00 N ATOM 1387 CE2 TRP A 95 84.070 -8.880 0.111 1.00 0.00 C ATOM 1388 CE3 TRP A 95 85.007 -8.484 2.307 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 82.854 -9.265 0.679 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 83.784 -8.872 2.881 1.00 0.00 C ATOM 1391 CH2 TRP A 95 82.711 -9.260 2.069 1.00 0.00 C ATOM 0 H TRP A 95 87.686 -5.768 -1.224 1.00 0.00 H new ATOM 0 HA TRP A 95 86.742 -6.078 1.526 1.00 0.00 H new ATOM 0 HB2 TRP A 95 88.326 -7.756 -0.461 1.00 0.00 H new ATOM 0 HB3 TRP A 95 88.065 -8.261 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 95 86.419 -8.184 -2.135 1.00 0.00 H new ATOM 0 HE1 TRP A 95 83.969 -8.996 -2.013 1.00 0.00 H new ATOM 0 HE3 TRP A 95 85.827 -8.185 2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 82.030 -9.565 0.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 83.671 -8.871 3.955 1.00 0.00 H new ATOM 0 HH2 TRP A 95 81.774 -9.555 2.517 1.00 0.00 H new ATOM 1402 N ASN A 96 88.706 -4.865 2.528 1.00 0.00 N ATOM 1403 CA ASN A 96 89.861 -4.362 3.270 1.00 0.00 C ATOM 1404 C ASN A 96 90.157 -5.300 4.436 1.00 0.00 C ATOM 1405 O ASN A 96 89.390 -5.373 5.397 1.00 0.00 O ATOM 1406 CB ASN A 96 89.568 -2.942 3.783 1.00 0.00 C ATOM 1407 CG ASN A 96 90.868 -2.190 4.052 1.00 0.00 C ATOM 1408 OD1 ASN A 96 91.546 -2.452 5.046 1.00 0.00 O ATOM 1409 ND2 ASN A 96 91.258 -1.261 3.220 1.00 0.00 N ATOM 0 H ASN A 96 87.808 -4.498 2.843 1.00 0.00 H new ATOM 0 HA ASN A 96 90.732 -4.323 2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 96 88.973 -2.400 3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 96 88.976 -2.994 4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 96 92.125 -0.752 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 96 90.696 -1.045 2.397 1.00 0.00 H new ATOM 1416 N CYS A 97 91.230 -6.078 4.303 1.00 0.00 N ATOM 1417 CA CYS A 97 91.574 -7.083 5.310 1.00 0.00 C ATOM 1418 C CYS A 97 92.549 -6.550 6.355 1.00 0.00 C ATOM 1419 O CYS A 97 93.188 -5.515 6.160 1.00 0.00 O ATOM 1420 CB CYS A 97 92.163 -8.312 4.614 1.00 0.00 C ATOM 1421 SG CYS A 97 91.161 -8.703 3.156 1.00 0.00 S ATOM 0 H CYS A 97 91.874 -6.033 3.513 1.00 0.00 H new ATOM 0 HA CYS A 97 90.660 -7.353 5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 97 93.195 -8.120 4.321 1.00 0.00 H new ATOM 0 HB3 CYS A 97 92.179 -9.160 5.298 1.00 0.00 H new ATOM 1426 N THR A 98 92.550 -7.200 7.522 1.00 0.00 N ATOM 1427 CA THR A 98 93.327 -6.726 8.669 1.00 0.00 C ATOM 1428 C THR A 98 94.796 -6.478 8.343 1.00 0.00 C ATOM 1429 O THR A 98 95.245 -5.342 8.440 1.00 0.00 O ATOM 1430 CB THR A 98 93.239 -7.781 9.809 1.00 0.00 C ATOM 1431 OG1 THR A 98 94.521 -7.964 10.398 1.00 0.00 O ATOM 1432 CG2 THR A 98 92.749 -9.131 9.265 1.00 0.00 C ATOM 0 H THR A 98 92.022 -8.055 7.697 1.00 0.00 H new ATOM 0 HA THR A 98 92.899 -5.770 8.970 1.00 0.00 H new ATOM 0 HB THR A 98 92.532 -7.416 10.554 1.00 0.00 H new ATOM 0 HG1 THR A 98 94.958 -7.094 10.508 1.00 0.00 H new ATOM 0 HG21 THR A 98 92.695 -9.854 10.079 1.00 0.00 H new ATOM 0 HG22 THR A 98 91.760 -9.008 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 98 93.443 -9.491 8.506 1.00 0.00 H new ATOM 1440 N ASP A 99 95.517 -7.527 7.955 1.00 0.00 N ATOM 1441 CA ASP A 99 96.951 -7.459 7.601 1.00 0.00 C ATOM 1442 C ASP A 99 97.665 -8.702 8.123 1.00 0.00 C ATOM 1443 O ASP A 99 98.893 -8.772 8.105 1.00 0.00 O ATOM 1444 CB ASP A 99 97.664 -6.224 8.172 1.00 0.00 C ATOM 1445 CG ASP A 99 97.388 -6.095 9.663 1.00 0.00 C ATOM 1446 OD1 ASP A 99 96.633 -6.902 10.178 1.00 0.00 O ATOM 1447 OD2 ASP A 99 97.934 -5.187 10.271 1.00 0.00 O1- ATOM 0 H ASP A 99 95.126 -8.465 7.873 1.00 0.00 H new ATOM 0 HA ASP A 99 96.994 -7.394 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 99 98.737 -6.304 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 99 97.324 -5.328 7.654 1.00 0.00 H new ATOM 1452 N HIS A 100 96.891 -9.686 8.574 1.00 0.00 N ATOM 1453 CA HIS A 100 97.466 -10.933 9.087 1.00 0.00 C ATOM 1454 C HIS A 100 97.701 -11.902 7.929 1.00 0.00 C ATOM 1455 O HIS A 100 97.003 -11.847 6.917 1.00 0.00 O ATOM 1456 CB HIS A 100 96.504 -11.580 10.102 1.00 0.00 C ATOM 1457 CG HIS A 100 96.715 -11.008 11.480 1.00 0.00 C ATOM 1458 ND1 HIS A 100 97.352 -9.796 11.699 1.00 0.00 N ATOM 1459 CD2 HIS A 100 96.374 -11.482 12.724 1.00 0.00 C ATOM 1460 CE1 HIS A 100 97.374 -9.585 13.029 1.00 0.00 C ATOM 1461 NE2 HIS A 100 96.791 -10.582 13.698 1.00 0.00 N ATOM 0 H HIS A 100 95.872 -9.648 8.596 1.00 0.00 H new ATOM 0 HA HIS A 100 98.412 -10.710 9.580 1.00 0.00 H new ATOM 0 HB2 HIS A 100 95.473 -11.415 9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 100 96.662 -12.658 10.123 1.00 0.00 H new ATOM 0 HD2 HIS A 100 95.860 -12.412 12.916 1.00 0.00 H new ATOM 0 HE1 HIS A 100 97.810 -8.715 13.497 1.00 0.00 H new ATOM 0 HE2 HIS A 100 96.676 -10.666 14.708 1.00 0.00 H new ATOM 1469 N VAL A 101 98.670 -12.794 8.084 1.00 0.00 N ATOM 1470 CA VAL A 101 98.952 -13.771 7.042 1.00 0.00 C ATOM 1471 C VAL A 101 97.859 -14.836 7.000 1.00 0.00 C ATOM 1472 O VAL A 101 96.898 -14.715 6.241 1.00 0.00 O ATOM 1473 CB VAL A 101 100.312 -14.429 7.295 1.00 0.00 C ATOM 1474 CG1 VAL A 101 100.625 -15.430 6.179 1.00 0.00 C ATOM 1475 CG2 VAL A 101 101.394 -13.349 7.319 1.00 0.00 C ATOM 0 H VAL A 101 99.266 -12.862 8.909 1.00 0.00 H new ATOM 0 HA VAL A 101 98.977 -13.257 6.081 1.00 0.00 H new ATOM 0 HB VAL A 101 100.286 -14.954 8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 101 101.594 -15.893 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 101 99.854 -16.200 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 101 100.651 -14.911 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 101 102.365 -13.811 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 101 101.411 -12.830 6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 101 101.179 -12.636 8.115 1.00 0.00 H new ATOM 1485 N CYS A 102 98.018 -15.876 7.832 1.00 0.00 N ATOM 1486 CA CYS A 102 97.061 -16.987 7.909 1.00 0.00 C ATOM 1487 C CYS A 102 97.785 -18.247 8.390 1.00 0.00 C ATOM 1488 O CYS A 102 98.274 -19.030 7.575 1.00 0.00 O ATOM 1489 CB CYS A 102 96.396 -17.239 6.532 1.00 0.00 C ATOM 1490 SG CYS A 102 95.912 -18.981 6.347 1.00 0.00 S ATOM 0 H CYS A 102 98.810 -15.970 8.467 1.00 0.00 H new ATOM 0 HA CYS A 102 96.274 -16.728 8.618 1.00 0.00 H new ATOM 0 HB2 CYS A 102 95.518 -16.601 6.427 1.00 0.00 H new ATOM 0 HB3 CYS A 102 97.087 -16.964 5.735 1.00 0.00 H new ATOM 1495 N ASP A 103 97.851 -18.437 9.713 1.00 0.00 N ATOM 1496 CA ASP A 103 98.509 -19.610 10.303 1.00 0.00 C ATOM 1497 C ASP A 103 99.656 -20.124 9.434 1.00 0.00 C ATOM 1498 O ASP A 103 99.421 -21.027 8.650 1.00 0.00 O ATOM 1499 CB ASP A 103 97.485 -20.728 10.510 1.00 0.00 C ATOM 1500 CG ASP A 103 96.499 -20.329 11.605 1.00 0.00 C ATOM 1501 OD1 ASP A 103 96.945 -20.080 12.712 1.00 0.00 O ATOM 1502 OD2 ASP A 103 95.314 -20.275 11.318 1.00 0.00 O1- ATOM 1503 OXT ASP A 103 100.753 -19.605 9.568 1.00 0.00 O ATOM 0 H ASP A 103 97.456 -17.792 10.397 1.00 0.00 H new ATOM 0 HA ASP A 103 98.929 -19.302 11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 103 96.951 -20.921 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 103 97.993 -21.653 10.784 1.00 0.00 H new TER 1508 ASP A 103