USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 713 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 36 CYS SG : rot 9:sc= 1.27 USER MOD Set 1.2: A 49 CYS SG : rot 30:sc= 2.13 USER MOD Set 2.1: A 28 SER OG : rot 76:sc= 1.3 USER MOD Set 2.2: A 33 CYS SG : rot 36:sc= 0.38 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0997 (180deg=-0.579) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.593 (180deg=0.466) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 10 TYR OH : rot 100:sc= 0.618 USER MOD Single : A 13 ASN : amide:sc= -0.076 K(o=-0.076,f=-1.2) USER MOD Single : A 15 SER OG : rot 180:sc= -0.14 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 25 GLN : amide:sc=-0.00601 K(o=-0.006,f=-0.97) USER MOD Single : A 29 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.067) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 1.19 K(o=1.2,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.146 (180deg=-0.648) USER MOD Single : A 38 MET CE :methyl 160:sc= -0.121 (180deg=-0.635) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.11 X(o=0.11,f=-0.17) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0345 USER MOD Single : A 54 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-2.9!) USER MOD Single : A 56 HIS : no HE2:sc= -1.07 X(o=-1.1,f=-0.96) USER MOD Single : A 58 HIS : no HE2:sc= -0.284 K(o=-0.28,f=-3!) USER MOD Single : A 66 MET CE :methyl 168:sc= -2.11! (180deg=-3.13!) USER MOD Single : A 67 ASN : amide:sc= 0.111 K(o=0.11,f=-4.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= -0.0173 (180deg=-0.158) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0779 K(o=-0.078,f=0.48) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 130:sc= 1.24 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.11) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -136:sc= 1.1 (180deg=-0.232) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.439 -17.283 -2.929 1.00 0.00 N ATOM 2 CA MET A 1 -4.414 -16.505 -3.669 1.00 0.00 C ATOM 3 C MET A 1 -4.828 -15.036 -3.771 1.00 0.00 C ATOM 4 O MET A 1 -4.685 -14.285 -2.806 1.00 0.00 O ATOM 5 CB MET A 1 -4.195 -17.096 -5.064 1.00 0.00 C ATOM 6 CG MET A 1 -3.637 -18.511 -5.050 1.00 0.00 C ATOM 7 SD MET A 1 -3.535 -19.238 -6.695 1.00 0.00 S ATOM 8 CE MET A 1 -2.467 -18.060 -7.517 1.00 0.00 C ATOM 0 H1 MET A 1 -5.090 -18.249 -2.765 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.630 -16.824 -2.015 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.316 -17.322 -3.487 1.00 0.00 H new ATOM 0 HA MET A 1 -3.475 -16.563 -3.119 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.143 -17.094 -5.602 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.513 -16.452 -5.618 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.644 -18.501 -4.600 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.266 -19.139 -4.419 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.037 -18.518 -8.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.046 -17.183 -7.804 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.667 -17.761 -6.840 1.00 0.00 H new ATOM 20 N GLU A 2 -5.373 -14.631 -4.918 1.00 0.00 N ATOM 21 CA GLU A 2 -5.817 -13.246 -5.105 1.00 0.00 C ATOM 22 C GLU A 2 -7.111 -13.006 -4.338 1.00 0.00 C ATOM 23 O GLU A 2 -7.434 -11.883 -3.950 1.00 0.00 O ATOM 24 CB GLU A 2 -6.025 -12.939 -6.589 1.00 0.00 C ATOM 25 CG GLU A 2 -4.803 -13.226 -7.442 1.00 0.00 C ATOM 26 CD GLU A 2 -5.002 -12.839 -8.890 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.711 -13.565 -9.615 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.431 -11.808 -9.314 1.00 0.00 O ATOM 0 H GLU A 2 -5.518 -15.235 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.043 -12.582 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.864 -13.528 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.298 -11.890 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.947 -12.684 -7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.564 -14.288 -7.383 1.00 0.00 H new ATOM 35 N ASP A 3 -7.825 -14.093 -4.104 1.00 0.00 N ATOM 36 CA ASP A 3 -9.065 -14.087 -3.334 1.00 0.00 C ATOM 37 C ASP A 3 -8.759 -14.063 -1.842 1.00 0.00 C ATOM 38 O ASP A 3 -9.660 -14.062 -1.005 1.00 0.00 O ATOM 39 CB ASP A 3 -9.862 -15.352 -3.662 1.00 0.00 C ATOM 40 CG ASP A 3 -9.111 -16.609 -3.252 1.00 0.00 C ATOM 41 OD1 ASP A 3 -7.962 -16.802 -3.717 1.00 0.00 O ATOM 42 OD2 ASP A 3 -9.650 -17.400 -2.450 1.00 0.00 O ATOM 0 H ASP A 3 -7.561 -15.017 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.642 -13.199 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.824 -15.319 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.070 -15.384 -4.731 1.00 0.00 H new ATOM 47 N GLU A 4 -7.475 -14.052 -1.520 1.00 0.00 N ATOM 48 CA GLU A 4 -7.020 -14.164 -0.143 1.00 0.00 C ATOM 49 C GLU A 4 -6.279 -12.902 0.293 1.00 0.00 C ATOM 50 O GLU A 4 -5.966 -12.719 1.472 1.00 0.00 O ATOM 51 CB GLU A 4 -6.102 -15.384 -0.034 1.00 0.00 C ATOM 52 CG GLU A 4 -5.514 -15.624 1.345 1.00 0.00 C ATOM 53 CD GLU A 4 -4.420 -16.668 1.318 1.00 0.00 C ATOM 54 OE1 GLU A 4 -3.914 -17.032 2.401 1.00 0.00 O ATOM 55 OE2 GLU A 4 -4.062 -17.130 0.213 1.00 0.00 O ATOM 0 H GLU A 4 -6.722 -13.966 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.881 -14.283 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.663 -16.270 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.285 -15.270 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.114 -14.689 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.303 -15.943 2.026 1.00 0.00 H new ATOM 62 N MET A 5 -6.017 -12.016 -0.656 1.00 0.00 N ATOM 63 CA MET A 5 -5.174 -10.860 -0.390 1.00 0.00 C ATOM 64 C MET A 5 -5.892 -9.543 -0.662 1.00 0.00 C ATOM 65 O MET A 5 -5.778 -8.977 -1.748 1.00 0.00 O ATOM 66 CB MET A 5 -3.900 -10.931 -1.234 1.00 0.00 C ATOM 67 CG MET A 5 -3.039 -12.148 -0.937 1.00 0.00 C ATOM 68 SD MET A 5 -1.535 -12.199 -1.926 1.00 0.00 S ATOM 69 CE MET A 5 -0.762 -13.680 -1.280 1.00 0.00 C ATOM 0 H MET A 5 -6.373 -12.074 -1.610 1.00 0.00 H new ATOM 0 HA MET A 5 -4.921 -10.887 0.670 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.173 -10.939 -2.289 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.311 -10.030 -1.064 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.773 -12.150 0.120 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.620 -13.052 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.185 -13.850 -1.793 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.579 -13.559 -0.212 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.420 -14.534 -1.441 1.00 0.00 H new ATOM 79 N PRO A 6 -6.653 -9.034 0.319 1.00 0.00 N ATOM 80 CA PRO A 6 -7.208 -7.685 0.249 1.00 0.00 C ATOM 81 C PRO A 6 -6.117 -6.630 0.435 1.00 0.00 C ATOM 82 O PRO A 6 -5.786 -6.243 1.558 1.00 0.00 O ATOM 83 CB PRO A 6 -8.212 -7.643 1.402 1.00 0.00 C ATOM 84 CG PRO A 6 -7.732 -8.671 2.368 1.00 0.00 C ATOM 85 CD PRO A 6 -7.062 -9.739 1.549 1.00 0.00 C ATOM 0 HA PRO A 6 -7.665 -7.469 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.245 -6.655 1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.221 -7.867 1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.035 -8.236 3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.562 -9.084 2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.204 -10.164 2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.743 -10.562 1.331 1.00 0.00 H new ATOM 93 N LYS A 7 -5.523 -6.202 -0.667 1.00 0.00 N ATOM 94 CA LYS A 7 -4.467 -5.199 -0.622 1.00 0.00 C ATOM 95 C LYS A 7 -5.075 -3.801 -0.712 1.00 0.00 C ATOM 96 O LYS A 7 -4.393 -2.788 -0.549 1.00 0.00 O ATOM 97 CB LYS A 7 -3.472 -5.443 -1.758 1.00 0.00 C ATOM 98 CG LYS A 7 -2.192 -4.629 -1.646 1.00 0.00 C ATOM 99 CD LYS A 7 -1.172 -5.060 -2.685 1.00 0.00 C ATOM 100 CE LYS A 7 0.108 -4.249 -2.585 1.00 0.00 C ATOM 101 NZ LYS A 7 1.131 -4.709 -3.560 1.00 0.00 N ATOM 0 H LYS A 7 -5.753 -6.532 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.930 -5.276 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.216 -6.502 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.956 -5.211 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.419 -3.571 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.770 -4.747 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.944 -6.118 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.598 -4.947 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.114 -3.196 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.509 -4.326 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.990 -4.131 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.362 -5.706 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.758 -4.612 -4.526 1.00 0.00 H new ATOM 115 N THR A 8 -6.371 -3.768 -0.968 1.00 0.00 N ATOM 116 CA THR A 8 -7.121 -2.532 -1.011 1.00 0.00 C ATOM 117 C THR A 8 -8.256 -2.589 0.005 1.00 0.00 C ATOM 118 O THR A 8 -8.950 -3.604 0.111 1.00 0.00 O ATOM 119 CB THR A 8 -7.685 -2.285 -2.425 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.616 -2.330 -3.380 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.390 -0.940 -2.516 1.00 0.00 C ATOM 0 H THR A 8 -6.931 -4.601 -1.152 1.00 0.00 H new ATOM 0 HA THR A 8 -6.454 -1.707 -0.762 1.00 0.00 H new ATOM 0 HB THR A 8 -8.415 -3.065 -2.640 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.974 -2.175 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.775 -0.799 -3.526 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.216 -0.913 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.684 -0.143 -2.282 1.00 0.00 H new ATOM 129 N LEU A 9 -8.426 -1.523 0.771 1.00 0.00 N ATOM 130 CA LEU A 9 -9.457 -1.491 1.796 1.00 0.00 C ATOM 131 C LEU A 9 -10.675 -0.722 1.303 1.00 0.00 C ATOM 132 O LEU A 9 -10.546 0.307 0.637 1.00 0.00 O ATOM 133 CB LEU A 9 -8.932 -0.877 3.102 1.00 0.00 C ATOM 134 CG LEU A 9 -7.863 -1.692 3.847 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.287 -3.144 3.983 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.518 -1.595 3.150 1.00 0.00 C ATOM 0 H LEU A 9 -7.867 -0.673 0.703 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.749 -2.520 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.520 0.107 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.777 -0.723 3.773 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.759 -1.269 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.514 -3.700 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.222 -3.199 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.430 -3.576 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.781 -2.181 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.606 -1.981 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.200 -0.553 3.116 1.00 0.00 H new ATOM 148 N TYR A 10 -11.849 -1.235 1.633 1.00 0.00 N ATOM 149 CA TYR A 10 -13.107 -0.644 1.208 1.00 0.00 C ATOM 150 C TYR A 10 -13.740 0.112 2.369 1.00 0.00 C ATOM 151 O TYR A 10 -14.259 -0.499 3.301 1.00 0.00 O ATOM 152 CB TYR A 10 -14.045 -1.757 0.721 1.00 0.00 C ATOM 153 CG TYR A 10 -15.362 -1.285 0.141 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.419 -0.915 0.962 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.552 -1.237 -1.232 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.625 -0.506 0.429 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.753 -0.825 -1.772 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.786 -0.463 -0.940 1.00 0.00 C ATOM 159 OH TYR A 10 -18.987 -0.060 -1.476 1.00 0.00 O ATOM 0 H TYR A 10 -11.957 -2.074 2.204 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.929 0.058 0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.524 -2.344 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.253 -2.425 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.296 -0.948 2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.746 -1.527 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.438 -0.221 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.881 -0.787 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.923 0.878 -1.754 1.00 0.00 H new ATOM 169 N VAL A 11 -13.683 1.433 2.322 1.00 0.00 N ATOM 170 CA VAL A 11 -14.293 2.250 3.360 1.00 0.00 C ATOM 171 C VAL A 11 -15.576 2.878 2.845 1.00 0.00 C ATOM 172 O VAL A 11 -15.548 3.720 1.949 1.00 0.00 O ATOM 173 CB VAL A 11 -13.347 3.364 3.850 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.999 4.173 4.960 1.00 0.00 C ATOM 175 CG2 VAL A 11 -12.033 2.773 4.321 1.00 0.00 C ATOM 0 H VAL A 11 -13.223 1.961 1.580 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.508 1.592 4.202 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.144 4.035 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.314 4.954 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.916 4.629 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.234 3.517 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.376 3.573 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.219 2.080 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.557 2.241 3.497 1.00 0.00 H new ATOM 185 N GLY A 12 -16.693 2.455 3.404 1.00 0.00 N ATOM 186 CA GLY A 12 -17.971 2.989 2.989 1.00 0.00 C ATOM 187 C GLY A 12 -18.524 3.995 3.975 1.00 0.00 C ATOM 188 O GLY A 12 -17.985 4.152 5.073 1.00 0.00 O ATOM 0 H GLY A 12 -16.740 1.750 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.864 3.462 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.682 2.171 2.871 1.00 0.00 H new ATOM 192 N ASN A 13 -19.599 4.672 3.568 1.00 0.00 N ATOM 193 CA ASN A 13 -20.297 5.656 4.402 1.00 0.00 C ATOM 194 C ASN A 13 -19.496 6.942 4.542 1.00 0.00 C ATOM 195 O ASN A 13 -19.444 7.538 5.621 1.00 0.00 O ATOM 196 CB ASN A 13 -20.639 5.104 5.793 1.00 0.00 C ATOM 197 CG ASN A 13 -21.702 4.027 5.756 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.518 3.967 4.834 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.716 3.183 6.774 1.00 0.00 N ATOM 0 H ASN A 13 -20.014 4.553 2.644 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.232 5.878 3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.736 4.700 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.979 5.921 6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.421 2.447 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.022 3.268 7.517 1.00 0.00 H new ATOM 206 N LEU A 14 -18.882 7.379 3.453 1.00 0.00 N ATOM 207 CA LEU A 14 -18.198 8.659 3.448 1.00 0.00 C ATOM 208 C LEU A 14 -19.203 9.781 3.278 1.00 0.00 C ATOM 209 O LEU A 14 -20.211 9.633 2.589 1.00 0.00 O ATOM 210 CB LEU A 14 -17.161 8.749 2.328 1.00 0.00 C ATOM 211 CG LEU A 14 -15.934 7.859 2.490 1.00 0.00 C ATOM 212 CD1 LEU A 14 -14.964 8.091 1.343 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.258 8.115 3.832 1.00 0.00 C ATOM 0 H LEU A 14 -18.844 6.870 2.570 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.680 8.753 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.648 8.497 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.828 9.784 2.248 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.253 6.817 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.091 7.450 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.454 7.855 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.650 9.135 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.385 7.470 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.947 9.158 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.958 7.900 4.639 1.00 0.00 H new ATOM 225 N SER A 15 -18.923 10.893 3.913 1.00 0.00 N ATOM 226 CA SER A 15 -19.751 12.069 3.780 1.00 0.00 C ATOM 227 C SER A 15 -19.179 12.970 2.702 1.00 0.00 C ATOM 228 O SER A 15 -18.048 12.781 2.248 1.00 0.00 O ATOM 229 CB SER A 15 -19.818 12.815 5.110 1.00 0.00 C ATOM 230 OG SER A 15 -20.617 13.980 5.014 1.00 0.00 O ATOM 0 H SER A 15 -18.121 11.009 4.532 1.00 0.00 H new ATOM 0 HA SER A 15 -20.761 11.770 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.225 12.156 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.811 13.088 5.426 1.00 0.00 H new ATOM 0 HG SER A 15 -20.640 14.433 5.883 1.00 0.00 H new ATOM 236 N ARG A 16 -19.959 13.951 2.296 1.00 0.00 N ATOM 237 CA ARG A 16 -19.521 14.906 1.297 1.00 0.00 C ATOM 238 C ARG A 16 -18.645 15.959 1.957 1.00 0.00 C ATOM 239 O ARG A 16 -18.044 16.801 1.295 1.00 0.00 O ATOM 240 CB ARG A 16 -20.726 15.537 0.601 1.00 0.00 C ATOM 241 CG ARG A 16 -21.759 14.512 0.149 1.00 0.00 C ATOM 242 CD ARG A 16 -21.104 13.309 -0.522 1.00 0.00 C ATOM 243 NE ARG A 16 -20.469 13.660 -1.793 1.00 0.00 N ATOM 244 CZ ARG A 16 -19.153 13.631 -2.011 1.00 0.00 C ATOM 245 NH1 ARG A 16 -18.319 13.248 -1.046 1.00 0.00 N ATOM 246 NH2 ARG A 16 -18.670 13.978 -3.198 1.00 0.00 N ATOM 0 H ARG A 16 -20.905 14.109 2.644 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.933 14.396 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.200 16.247 1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.383 16.104 -0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.340 14.178 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -22.457 14.980 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.358 12.883 0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.855 12.538 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.073 13.946 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -18.685 12.975 -0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.314 13.228 -1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.305 14.266 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.664 13.956 -3.366 1.00 0.00 H new ATOM 260 N ASP A 17 -18.580 15.879 3.279 1.00 0.00 N ATOM 261 CA ASP A 17 -17.771 16.783 4.081 1.00 0.00 C ATOM 262 C ASP A 17 -16.417 16.142 4.408 1.00 0.00 C ATOM 263 O ASP A 17 -15.560 16.751 5.049 1.00 0.00 O ATOM 264 CB ASP A 17 -18.535 17.132 5.362 1.00 0.00 C ATOM 265 CG ASP A 17 -17.886 18.244 6.160 1.00 0.00 C ATOM 266 OD1 ASP A 17 -17.605 18.035 7.357 1.00 0.00 O ATOM 267 OD2 ASP A 17 -17.664 19.336 5.593 1.00 0.00 O ATOM 0 H ASP A 17 -19.088 15.184 3.825 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.577 17.697 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.552 17.426 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.610 16.242 5.986 1.00 0.00 H new ATOM 272 N VAL A 18 -16.222 14.907 3.948 1.00 0.00 N ATOM 273 CA VAL A 18 -14.976 14.183 4.197 1.00 0.00 C ATOM 274 C VAL A 18 -13.922 14.538 3.150 1.00 0.00 C ATOM 275 O VAL A 18 -14.173 14.441 1.946 1.00 0.00 O ATOM 276 CB VAL A 18 -15.193 12.648 4.219 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.876 11.914 4.425 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.182 12.270 5.310 1.00 0.00 C ATOM 0 H VAL A 18 -16.909 14.388 3.402 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.623 14.490 5.181 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.602 12.350 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.056 10.839 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.192 12.158 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.435 12.218 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.324 11.189 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.795 12.588 6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.137 12.761 5.122 1.00 0.00 H new ATOM 288 N THR A 19 -12.750 14.950 3.618 1.00 0.00 N ATOM 289 CA THR A 19 -11.660 15.333 2.735 1.00 0.00 C ATOM 290 C THR A 19 -10.664 14.182 2.564 1.00 0.00 C ATOM 291 O THR A 19 -10.584 13.285 3.410 1.00 0.00 O ATOM 292 CB THR A 19 -10.927 16.590 3.261 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.882 16.973 2.357 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.340 16.346 4.645 1.00 0.00 C ATOM 0 H THR A 19 -12.531 15.027 4.611 1.00 0.00 H new ATOM 0 HA THR A 19 -12.095 15.568 1.764 1.00 0.00 H new ATOM 0 HB THR A 19 -11.658 17.395 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.428 17.770 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.831 17.247 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.141 16.094 5.340 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.628 15.522 4.598 1.00 0.00 H new ATOM 302 N GLU A 20 -9.905 14.230 1.474 1.00 0.00 N ATOM 303 CA GLU A 20 -8.952 13.179 1.129 1.00 0.00 C ATOM 304 C GLU A 20 -7.798 13.136 2.127 1.00 0.00 C ATOM 305 O GLU A 20 -7.359 12.060 2.541 1.00 0.00 O ATOM 306 CB GLU A 20 -8.409 13.432 -0.278 1.00 0.00 C ATOM 307 CG GLU A 20 -7.486 12.341 -0.800 1.00 0.00 C ATOM 308 CD GLU A 20 -6.891 12.698 -2.144 1.00 0.00 C ATOM 309 OE1 GLU A 20 -5.650 12.658 -2.286 1.00 0.00 O ATOM 310 OE2 GLU A 20 -7.658 13.055 -3.061 1.00 0.00 O ATOM 0 H GLU A 20 -9.933 14.999 0.804 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.466 12.218 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.249 13.540 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.870 14.380 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.684 12.170 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.041 11.407 -0.886 1.00 0.00 H new ATOM 317 N ALA A 21 -7.322 14.318 2.515 1.00 0.00 N ATOM 318 CA ALA A 21 -6.175 14.441 3.413 1.00 0.00 C ATOM 319 C ALA A 21 -6.394 13.691 4.718 1.00 0.00 C ATOM 320 O ALA A 21 -5.471 13.074 5.248 1.00 0.00 O ATOM 321 CB ALA A 21 -5.875 15.905 3.700 1.00 0.00 C ATOM 0 H ALA A 21 -7.717 15.211 2.219 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.320 13.991 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.018 15.976 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.649 16.420 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.742 16.369 4.170 1.00 0.00 H new ATOM 327 N LEU A 22 -7.619 13.732 5.217 1.00 0.00 N ATOM 328 CA LEU A 22 -7.951 13.106 6.489 1.00 0.00 C ATOM 329 C LEU A 22 -7.897 11.589 6.351 1.00 0.00 C ATOM 330 O LEU A 22 -7.257 10.907 7.153 1.00 0.00 O ATOM 331 CB LEU A 22 -9.341 13.575 6.943 1.00 0.00 C ATOM 332 CG LEU A 22 -9.692 13.325 8.416 1.00 0.00 C ATOM 333 CD1 LEU A 22 -10.813 14.253 8.854 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.109 11.881 8.642 1.00 0.00 C ATOM 0 H LEU A 22 -8.404 14.194 4.759 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.224 13.400 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.423 14.644 6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.089 13.080 6.324 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.801 13.526 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.052 14.066 9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.496 15.289 8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.696 14.071 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.352 11.733 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.984 11.655 8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.291 11.218 8.362 1.00 0.00 H new ATOM 346 N ILE A 23 -8.563 11.073 5.321 1.00 0.00 N ATOM 347 CA ILE A 23 -8.571 9.641 5.038 1.00 0.00 C ATOM 348 C ILE A 23 -7.153 9.107 4.925 1.00 0.00 C ATOM 349 O ILE A 23 -6.748 8.209 5.665 1.00 0.00 O ATOM 350 CB ILE A 23 -9.301 9.336 3.713 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.731 9.864 3.749 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.295 7.841 3.420 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.576 9.265 4.857 1.00 0.00 C ATOM 0 H ILE A 23 -9.108 11.631 4.664 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.092 9.158 5.865 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.765 9.844 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.706 10.947 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.208 9.660 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.816 7.652 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.266 7.490 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.799 7.310 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.580 9.689 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.633 8.184 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.123 9.491 5.822 1.00 0.00 H new ATOM 365 N LEU A 24 -6.409 9.690 3.998 1.00 0.00 N ATOM 366 CA LEU A 24 -5.079 9.245 3.673 1.00 0.00 C ATOM 367 C LEU A 24 -4.174 9.246 4.894 1.00 0.00 C ATOM 368 O LEU A 24 -3.412 8.305 5.108 1.00 0.00 O ATOM 369 CB LEU A 24 -4.511 10.151 2.594 1.00 0.00 C ATOM 370 CG LEU A 24 -3.671 9.429 1.564 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.497 8.343 0.897 1.00 0.00 C ATOM 372 CD2 LEU A 24 -3.128 10.406 0.536 1.00 0.00 C ATOM 0 H LEU A 24 -6.722 10.492 3.450 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.131 8.218 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.334 10.656 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.904 10.924 3.065 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.821 8.964 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.888 7.826 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.836 7.631 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.361 8.792 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.527 9.867 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.957 10.901 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.510 11.153 1.035 1.00 0.00 H new ATOM 384 N GLN A 25 -4.276 10.292 5.699 1.00 0.00 N ATOM 385 CA GLN A 25 -3.436 10.438 6.880 1.00 0.00 C ATOM 386 C GLN A 25 -3.716 9.334 7.894 1.00 0.00 C ATOM 387 O GLN A 25 -2.789 8.760 8.468 1.00 0.00 O ATOM 388 CB GLN A 25 -3.660 11.807 7.519 1.00 0.00 C ATOM 389 CG GLN A 25 -2.814 12.046 8.755 1.00 0.00 C ATOM 390 CD GLN A 25 -2.925 13.466 9.266 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.132 14.405 8.494 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.791 13.637 10.569 1.00 0.00 N ATOM 0 H GLN A 25 -4.936 11.057 5.556 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.395 10.355 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.442 12.582 6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.712 11.907 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.121 11.355 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.771 11.826 8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.621 12.834 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.858 14.572 10.970 1.00 0.00 H new ATOM 401 N LEU A 26 -4.992 9.027 8.092 1.00 0.00 N ATOM 402 CA LEU A 26 -5.396 8.017 9.062 1.00 0.00 C ATOM 403 C LEU A 26 -4.815 6.649 8.722 1.00 0.00 C ATOM 404 O LEU A 26 -4.408 5.898 9.609 1.00 0.00 O ATOM 405 CB LEU A 26 -6.915 7.928 9.146 1.00 0.00 C ATOM 406 CG LEU A 26 -7.604 9.163 9.719 1.00 0.00 C ATOM 407 CD1 LEU A 26 -9.051 8.848 10.023 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.891 9.648 10.971 1.00 0.00 C ATOM 0 H LEU A 26 -5.766 9.464 7.592 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.002 8.323 10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.309 7.742 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.180 7.066 9.758 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.562 9.961 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.538 9.733 10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.558 8.546 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.102 8.038 10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.400 10.529 11.361 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.901 8.860 11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.860 9.903 10.727 1.00 0.00 H new ATOM 420 N PHE A 27 -4.771 6.335 7.435 1.00 0.00 N ATOM 421 CA PHE A 27 -4.247 5.054 6.981 1.00 0.00 C ATOM 422 C PHE A 27 -2.726 5.085 6.884 1.00 0.00 C ATOM 423 O PHE A 27 -2.065 4.078 7.137 1.00 0.00 O ATOM 424 CB PHE A 27 -4.863 4.667 5.636 1.00 0.00 C ATOM 425 CG PHE A 27 -6.317 4.298 5.724 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.697 3.042 6.166 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.302 5.202 5.367 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.032 2.696 6.253 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.638 4.864 5.450 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.003 3.608 5.895 1.00 0.00 C ATOM 0 H PHE A 27 -5.092 6.949 6.687 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.521 4.299 7.718 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.749 5.499 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.308 3.826 5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.941 2.324 6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.022 6.185 5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.315 1.713 6.601 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.396 5.580 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.047 3.341 5.962 1.00 0.00 H new ATOM 440 N SER A 28 -2.171 6.244 6.541 1.00 0.00 N ATOM 441 CA SER A 28 -0.720 6.409 6.468 1.00 0.00 C ATOM 442 C SER A 28 -0.092 6.258 7.851 1.00 0.00 C ATOM 443 O SER A 28 1.098 5.960 7.975 1.00 0.00 O ATOM 444 CB SER A 28 -0.363 7.768 5.866 1.00 0.00 C ATOM 445 OG SER A 28 -0.863 7.883 4.545 1.00 0.00 O ATOM 0 H SER A 28 -2.702 7.083 6.309 1.00 0.00 H new ATOM 0 HA SER A 28 -0.320 5.629 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.775 8.564 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.720 7.895 5.862 1.00 0.00 H new ATOM 0 HG SER A 28 -1.829 8.045 4.574 1.00 0.00 H new ATOM 451 N GLN A 29 -0.902 6.474 8.883 1.00 0.00 N ATOM 452 CA GLN A 29 -0.488 6.228 10.258 1.00 0.00 C ATOM 453 C GLN A 29 -0.126 4.755 10.444 1.00 0.00 C ATOM 454 O GLN A 29 0.789 4.411 11.194 1.00 0.00 O ATOM 455 CB GLN A 29 -1.619 6.607 11.221 1.00 0.00 C ATOM 456 CG GLN A 29 -1.312 6.308 12.678 1.00 0.00 C ATOM 457 CD GLN A 29 -2.523 6.455 13.585 1.00 0.00 C ATOM 458 OE1 GLN A 29 -2.391 6.786 14.764 1.00 0.00 O ATOM 459 NE2 GLN A 29 -3.709 6.202 13.046 1.00 0.00 N ATOM 0 H GLN A 29 -1.856 6.822 8.790 1.00 0.00 H new ATOM 0 HA GLN A 29 0.388 6.839 10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.832 7.671 11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.523 6.071 10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.925 5.292 12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.524 6.978 13.022 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.776 5.931 12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.554 6.279 13.613 1.00 0.00 H new ATOM 468 N ILE A 30 -0.847 3.893 9.737 1.00 0.00 N ATOM 469 CA ILE A 30 -0.659 2.458 9.861 1.00 0.00 C ATOM 470 C ILE A 30 0.333 1.947 8.821 1.00 0.00 C ATOM 471 O ILE A 30 1.316 1.296 9.164 1.00 0.00 O ATOM 472 CB ILE A 30 -1.989 1.692 9.702 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.069 2.283 10.617 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.787 0.212 10.005 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.735 2.224 12.092 1.00 0.00 C ATOM 0 H ILE A 30 -1.569 4.167 9.070 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.267 2.278 10.862 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.323 1.795 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.238 3.322 10.336 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.005 1.750 10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.734 -0.316 9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.053 -0.204 9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.430 0.096 11.028 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.550 2.662 12.668 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.596 1.185 12.392 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.818 2.782 12.280 1.00 0.00 H new ATOM 487 N GLY A 31 0.088 2.263 7.556 1.00 0.00 N ATOM 488 CA GLY A 31 0.937 1.751 6.498 1.00 0.00 C ATOM 489 C GLY A 31 1.096 2.721 5.348 1.00 0.00 C ATOM 490 O GLY A 31 0.284 3.631 5.180 1.00 0.00 O ATOM 0 H GLY A 31 -0.678 2.860 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.920 1.518 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.518 0.817 6.123 1.00 0.00 H new ATOM 494 N PRO A 32 2.145 2.539 4.532 1.00 0.00 N ATOM 495 CA PRO A 32 2.396 3.379 3.356 1.00 0.00 C ATOM 496 C PRO A 32 1.305 3.218 2.304 1.00 0.00 C ATOM 497 O PRO A 32 1.165 2.154 1.698 1.00 0.00 O ATOM 498 CB PRO A 32 3.740 2.868 2.814 1.00 0.00 C ATOM 499 CG PRO A 32 4.334 2.060 3.918 1.00 0.00 C ATOM 500 CD PRO A 32 3.177 1.500 4.692 1.00 0.00 C ATOM 0 HA PRO A 32 2.409 4.439 3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.598 2.264 1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.393 3.696 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.961 1.261 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.967 2.677 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.850 0.540 4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.431 1.340 5.740 1.00 0.00 H new ATOM 508 N CYS A 33 0.530 4.275 2.099 1.00 0.00 N ATOM 509 CA CYS A 33 -0.547 4.261 1.121 1.00 0.00 C ATOM 510 C CYS A 33 -0.068 4.848 -0.202 1.00 0.00 C ATOM 511 O CYS A 33 0.684 5.824 -0.221 1.00 0.00 O ATOM 512 CB CYS A 33 -1.741 5.060 1.644 1.00 0.00 C ATOM 513 SG CYS A 33 -2.293 4.552 3.288 1.00 0.00 S ATOM 0 H CYS A 33 0.629 5.157 2.601 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.855 3.228 0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.476 6.117 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.570 4.957 0.944 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.263 4.218 4.007 1.00 0.00 H new ATOM 519 N LYS A 34 -0.494 4.241 -1.303 1.00 0.00 N ATOM 520 CA LYS A 34 -0.108 4.706 -2.630 1.00 0.00 C ATOM 521 C LYS A 34 -1.275 5.370 -3.346 1.00 0.00 C ATOM 522 O LYS A 34 -1.118 6.423 -3.959 1.00 0.00 O ATOM 523 CB LYS A 34 0.429 3.548 -3.480 1.00 0.00 C ATOM 524 CG LYS A 34 0.790 3.959 -4.903 1.00 0.00 C ATOM 525 CD LYS A 34 1.793 5.105 -4.917 1.00 0.00 C ATOM 526 CE LYS A 34 2.066 5.598 -6.328 1.00 0.00 C ATOM 527 NZ LYS A 34 3.011 6.748 -6.340 1.00 0.00 N ATOM 0 H LYS A 34 -1.107 3.426 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 34 0.682 5.445 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.311 3.130 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.319 2.756 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.206 3.104 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.112 4.258 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.413 5.928 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.726 4.777 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.478 4.783 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.128 5.894 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.172 7.055 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.607 7.535 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.915 6.459 -5.915 1.00 0.00 H new ATOM 541 N ASN A 35 -2.447 4.766 -3.266 1.00 0.00 N ATOM 542 CA ASN A 35 -3.591 5.272 -4.003 1.00 0.00 C ATOM 543 C ASN A 35 -4.786 5.439 -3.095 1.00 0.00 C ATOM 544 O ASN A 35 -5.033 4.621 -2.209 1.00 0.00 O ATOM 545 CB ASN A 35 -3.948 4.335 -5.157 1.00 0.00 C ATOM 546 CG ASN A 35 -5.086 4.854 -6.025 1.00 0.00 C ATOM 547 OD1 ASN A 35 -5.263 6.063 -6.190 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.860 3.942 -6.590 1.00 0.00 N ATOM 0 H ASN A 35 -2.631 3.934 -2.705 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.320 6.247 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.066 4.184 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.224 3.361 -4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.636 4.230 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.681 2.951 -6.429 1.00 0.00 H new ATOM 555 N CYS A 36 -5.506 6.510 -3.322 1.00 0.00 N ATOM 556 CA CYS A 36 -6.749 6.772 -2.629 1.00 0.00 C ATOM 557 C CYS A 36 -7.813 7.066 -3.661 1.00 0.00 C ATOM 558 O CYS A 36 -7.829 8.139 -4.264 1.00 0.00 O ATOM 559 CB CYS A 36 -6.600 7.960 -1.686 1.00 0.00 C ATOM 560 SG CYS A 36 -8.041 8.278 -0.637 1.00 0.00 S ATOM 0 H CYS A 36 -5.247 7.230 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.026 5.902 -2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.732 7.793 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.394 8.852 -2.277 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.890 7.301 -0.759 1.00 0.00 H new ATOM 566 N LYS A 37 -8.678 6.109 -3.887 1.00 0.00 N ATOM 567 CA LYS A 37 -9.704 6.260 -4.888 1.00 0.00 C ATOM 568 C LYS A 37 -10.972 6.782 -4.248 1.00 0.00 C ATOM 569 O LYS A 37 -11.332 6.380 -3.141 1.00 0.00 O ATOM 570 CB LYS A 37 -9.969 4.935 -5.573 1.00 0.00 C ATOM 571 CG LYS A 37 -10.558 5.082 -6.962 1.00 0.00 C ATOM 572 CD LYS A 37 -11.064 3.755 -7.483 1.00 0.00 C ATOM 573 CE LYS A 37 -11.340 3.804 -8.976 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.125 4.160 -9.754 1.00 0.00 N ATOM 0 H LYS A 37 -8.692 5.217 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.365 6.975 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.036 4.376 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.650 4.346 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.375 5.803 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.803 5.478 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.328 2.978 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.976 3.480 -6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.712 2.835 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.125 4.533 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.210 3.787 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.026 5.195 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.287 3.748 -9.297 1.00 0.00 H new ATOM 588 N MET A 38 -11.649 7.659 -4.951 1.00 0.00 N ATOM 589 CA MET A 38 -12.825 8.317 -4.410 1.00 0.00 C ATOM 590 C MET A 38 -14.006 8.092 -5.330 1.00 0.00 C ATOM 591 O MET A 38 -14.099 8.695 -6.399 1.00 0.00 O ATOM 592 CB MET A 38 -12.576 9.816 -4.221 1.00 0.00 C ATOM 593 CG MET A 38 -11.418 10.131 -3.283 1.00 0.00 C ATOM 594 SD MET A 38 -11.211 11.896 -2.992 1.00 0.00 S ATOM 595 CE MET A 38 -12.728 12.279 -2.120 1.00 0.00 C ATOM 0 H MET A 38 -11.408 7.937 -5.902 1.00 0.00 H new ATOM 0 HA MET A 38 -13.044 7.887 -3.433 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.378 10.268 -5.193 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.483 10.280 -3.833 1.00 0.00 H new ATOM 0 HG2 MET A 38 -11.582 9.628 -2.330 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.497 9.727 -3.703 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.606 13.212 -1.569 1.00 0.00 H new ATOM 0 HE2 MET A 38 -13.543 12.385 -2.836 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.960 11.474 -1.423 1.00 0.00 H new ATOM 605 N ILE A 39 -14.893 7.204 -4.924 1.00 0.00 N ATOM 606 CA ILE A 39 -16.047 6.869 -5.731 1.00 0.00 C ATOM 607 C ILE A 39 -17.181 7.844 -5.459 1.00 0.00 C ATOM 608 O ILE A 39 -17.896 7.723 -4.462 1.00 0.00 O ATOM 609 CB ILE A 39 -16.533 5.432 -5.461 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.363 4.444 -5.571 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.644 5.064 -6.435 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.666 4.463 -6.915 1.00 0.00 C ATOM 0 H ILE A 39 -14.835 6.702 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.744 6.938 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.931 5.378 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.635 4.671 -4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.732 3.437 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.980 4.047 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.479 5.753 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.269 5.129 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.852 3.738 -6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.379 4.206 -7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.265 5.459 -7.103 1.00 0.00 H new ATOM 624 N MET A 40 -17.326 8.825 -6.334 1.00 0.00 N ATOM 625 CA MET A 40 -18.376 9.813 -6.196 1.00 0.00 C ATOM 626 C MET A 40 -19.470 9.570 -7.221 1.00 0.00 C ATOM 627 O MET A 40 -19.271 9.744 -8.425 1.00 0.00 O ATOM 628 CB MET A 40 -17.809 11.232 -6.320 1.00 0.00 C ATOM 629 CG MET A 40 -16.925 11.446 -7.540 1.00 0.00 C ATOM 630 SD MET A 40 -16.180 13.088 -7.584 1.00 0.00 S ATOM 631 CE MET A 40 -15.195 12.977 -9.077 1.00 0.00 C ATOM 0 H MET A 40 -16.727 8.956 -7.149 1.00 0.00 H new ATOM 0 HA MET A 40 -18.813 9.716 -5.202 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.637 11.940 -6.356 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.233 11.461 -5.423 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.136 10.694 -7.548 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.517 11.296 -8.443 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.673 13.920 -9.239 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.467 12.172 -8.974 1.00 0.00 H new ATOM 0 HE3 MET A 40 -15.845 12.772 -9.927 1.00 0.00 H new ATOM 641 N ASP A 41 -20.618 9.137 -6.738 1.00 0.00 N ATOM 642 CA ASP A 41 -21.761 8.902 -7.601 1.00 0.00 C ATOM 643 C ASP A 41 -22.671 10.122 -7.554 1.00 0.00 C ATOM 644 O ASP A 41 -22.346 11.101 -6.882 1.00 0.00 O ATOM 645 CB ASP A 41 -22.520 7.642 -7.165 1.00 0.00 C ATOM 646 CG ASP A 41 -23.235 6.960 -8.317 1.00 0.00 C ATOM 647 OD1 ASP A 41 -22.782 5.874 -8.743 1.00 0.00 O ATOM 648 OD2 ASP A 41 -24.252 7.505 -8.802 1.00 0.00 O ATOM 0 H ASP A 41 -20.785 8.940 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 41 -21.418 8.743 -8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.820 6.940 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -23.247 7.908 -6.398 1.00 0.00 H new ATOM 653 N THR A 42 -23.795 10.082 -8.242 1.00 0.00 N ATOM 654 CA THR A 42 -24.697 11.221 -8.241 1.00 0.00 C ATOM 655 C THR A 42 -25.500 11.263 -6.941 1.00 0.00 C ATOM 656 O THR A 42 -25.732 12.340 -6.381 1.00 0.00 O ATOM 657 CB THR A 42 -25.644 11.216 -9.465 1.00 0.00 C ATOM 658 OG1 THR A 42 -26.493 12.368 -9.432 1.00 0.00 O ATOM 659 CG2 THR A 42 -26.494 9.956 -9.510 1.00 0.00 C ATOM 0 H THR A 42 -24.104 9.287 -8.801 1.00 0.00 H new ATOM 0 HA THR A 42 -24.085 12.121 -8.311 1.00 0.00 H new ATOM 0 HB THR A 42 -25.026 11.240 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 42 -27.088 12.358 -10.211 1.00 0.00 H new ATOM 0 HG21 THR A 42 -27.146 9.988 -10.383 1.00 0.00 H new ATOM 0 HG22 THR A 42 -25.846 9.082 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 42 -27.100 9.894 -8.606 1.00 0.00 H new ATOM 667 N ALA A 43 -25.884 10.083 -6.452 1.00 0.00 N ATOM 668 CA ALA A 43 -26.687 9.962 -5.241 1.00 0.00 C ATOM 669 C ALA A 43 -26.972 8.499 -4.941 1.00 0.00 C ATOM 670 O ALA A 43 -26.626 7.615 -5.729 1.00 0.00 O ATOM 671 CB ALA A 43 -27.998 10.728 -5.376 1.00 0.00 C ATOM 0 H ALA A 43 -25.647 9.190 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.119 10.393 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -28.578 10.621 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -27.787 11.783 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -28.568 10.328 -6.215 1.00 0.00 H new ATOM 677 N GLY A 44 -27.597 8.254 -3.801 1.00 0.00 N ATOM 678 CA GLY A 44 -27.958 6.909 -3.418 1.00 0.00 C ATOM 679 C GLY A 44 -27.352 6.533 -2.088 1.00 0.00 C ATOM 680 O GLY A 44 -27.777 7.023 -1.040 1.00 0.00 O ATOM 0 H GLY A 44 -27.863 8.973 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -29.043 6.824 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -27.623 6.209 -4.183 1.00 0.00 H new ATOM 684 N ASN A 45 -26.356 5.667 -2.127 1.00 0.00 N ATOM 685 CA ASN A 45 -25.616 5.307 -0.930 1.00 0.00 C ATOM 686 C ASN A 45 -24.492 6.308 -0.719 1.00 0.00 C ATOM 687 O ASN A 45 -24.039 6.948 -1.667 1.00 0.00 O ATOM 688 CB ASN A 45 -25.048 3.888 -1.048 1.00 0.00 C ATOM 689 CG ASN A 45 -24.049 3.731 -2.185 1.00 0.00 C ATOM 690 OD1 ASN A 45 -24.424 3.427 -3.320 1.00 0.00 O ATOM 691 ND2 ASN A 45 -22.769 3.923 -1.891 1.00 0.00 N ATOM 0 H ASN A 45 -26.040 5.199 -2.976 1.00 0.00 H new ATOM 0 HA ASN A 45 -26.291 5.329 -0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -24.564 3.619 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -25.869 3.187 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -22.058 3.820 -2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -22.496 4.174 -0.941 1.00 0.00 H new ATOM 698 N ASP A 46 -24.058 6.453 0.525 1.00 0.00 N ATOM 699 CA ASP A 46 -22.951 7.344 0.840 1.00 0.00 C ATOM 700 C ASP A 46 -21.672 6.812 0.212 1.00 0.00 C ATOM 701 O ASP A 46 -21.400 5.607 0.263 1.00 0.00 O ATOM 702 CB ASP A 46 -22.780 7.495 2.356 1.00 0.00 C ATOM 703 CG ASP A 46 -23.902 8.289 2.997 1.00 0.00 C ATOM 704 OD1 ASP A 46 -24.858 7.665 3.503 1.00 0.00 O ATOM 705 OD2 ASP A 46 -23.831 9.538 3.013 1.00 0.00 O ATOM 0 H ASP A 46 -24.454 5.967 1.330 1.00 0.00 H new ATOM 0 HA ASP A 46 -23.170 8.330 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -22.734 6.506 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -21.829 7.986 2.563 1.00 0.00 H new ATOM 710 N PRO A 47 -20.895 7.716 -0.412 1.00 0.00 N ATOM 711 CA PRO A 47 -19.666 7.379 -1.147 1.00 0.00 C ATOM 712 C PRO A 47 -18.725 6.441 -0.396 1.00 0.00 C ATOM 713 O PRO A 47 -18.724 6.382 0.837 1.00 0.00 O ATOM 714 CB PRO A 47 -19.001 8.740 -1.340 1.00 0.00 C ATOM 715 CG PRO A 47 -20.138 9.696 -1.412 1.00 0.00 C ATOM 716 CD PRO A 47 -21.175 9.165 -0.460 1.00 0.00 C ATOM 0 HA PRO A 47 -19.896 6.841 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.333 8.978 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.402 8.765 -2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -19.824 10.701 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.533 9.760 -2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.086 9.623 0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.186 9.366 -0.815 1.00 0.00 H new ATOM 724 N TYR A 48 -17.913 5.720 -1.152 1.00 0.00 N ATOM 725 CA TYR A 48 -16.959 4.789 -0.580 1.00 0.00 C ATOM 726 C TYR A 48 -15.575 5.007 -1.185 1.00 0.00 C ATOM 727 O TYR A 48 -15.448 5.469 -2.320 1.00 0.00 O ATOM 728 CB TYR A 48 -17.428 3.339 -0.768 1.00 0.00 C ATOM 729 CG TYR A 48 -17.928 2.995 -2.160 1.00 0.00 C ATOM 730 CD1 TYR A 48 -17.096 2.380 -3.086 1.00 0.00 C ATOM 731 CD2 TYR A 48 -19.240 3.266 -2.538 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.555 2.041 -4.344 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.704 2.934 -3.797 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.858 2.322 -4.697 1.00 0.00 C ATOM 735 OH TYR A 48 -19.316 1.987 -5.954 1.00 0.00 O ATOM 0 H TYR A 48 -17.897 5.764 -2.171 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.893 4.976 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.602 2.672 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.225 3.137 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.073 2.163 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.907 3.744 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.895 1.557 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.725 3.153 -4.074 1.00 0.00 H new ATOM 0 HH TYR A 48 -20.255 2.252 -6.041 1.00 0.00 H new ATOM 745 N CYS A 49 -14.550 4.693 -0.411 1.00 0.00 N ATOM 746 CA CYS A 49 -13.178 4.946 -0.818 1.00 0.00 C ATOM 747 C CYS A 49 -12.387 3.650 -0.941 1.00 0.00 C ATOM 748 O CYS A 49 -12.582 2.713 -0.164 1.00 0.00 O ATOM 749 CB CYS A 49 -12.498 5.878 0.192 1.00 0.00 C ATOM 750 SG CYS A 49 -10.804 6.342 -0.239 1.00 0.00 S ATOM 0 H CYS A 49 -14.643 4.260 0.508 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.199 5.422 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.096 6.784 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.491 5.393 1.168 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.675 6.362 -1.532 1.00 0.00 H new ATOM 756 N PHE A 50 -11.507 3.608 -1.931 1.00 0.00 N ATOM 757 CA PHE A 50 -10.589 2.494 -2.104 1.00 0.00 C ATOM 758 C PHE A 50 -9.169 2.949 -1.812 1.00 0.00 C ATOM 759 O PHE A 50 -8.596 3.729 -2.572 1.00 0.00 O ATOM 760 CB PHE A 50 -10.657 1.940 -3.528 1.00 0.00 C ATOM 761 CG PHE A 50 -11.917 1.184 -3.829 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.962 1.790 -4.505 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.055 -0.136 -3.434 1.00 0.00 C ATOM 764 CE1 PHE A 50 -14.120 1.092 -4.784 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.210 -0.839 -3.709 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.246 -0.225 -4.384 1.00 0.00 C ATOM 0 H PHE A 50 -11.410 4.342 -2.633 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.879 1.706 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.564 2.766 -4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.803 1.283 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.870 2.820 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.249 -0.621 -2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.927 1.575 -5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.303 -1.869 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.152 -0.772 -4.599 1.00 0.00 H new ATOM 776 N VAL A 51 -8.609 2.488 -0.710 1.00 0.00 N ATOM 777 CA VAL A 51 -7.247 2.856 -0.352 1.00 0.00 C ATOM 778 C VAL A 51 -6.283 1.704 -0.611 1.00 0.00 C ATOM 779 O VAL A 51 -6.496 0.579 -0.150 1.00 0.00 O ATOM 780 CB VAL A 51 -7.140 3.328 1.117 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.806 4.684 1.288 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.761 2.314 2.068 1.00 0.00 C ATOM 0 H VAL A 51 -9.070 1.862 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.968 3.695 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.082 3.420 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.722 5.002 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.315 5.414 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.859 4.609 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.671 2.674 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.814 2.182 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.243 1.360 1.971 1.00 0.00 H new ATOM 792 N GLU A 52 -5.237 1.986 -1.377 1.00 0.00 N ATOM 793 CA GLU A 52 -4.249 0.981 -1.731 1.00 0.00 C ATOM 794 C GLU A 52 -2.953 1.200 -0.965 1.00 0.00 C ATOM 795 O GLU A 52 -2.348 2.272 -1.037 1.00 0.00 O ATOM 796 CB GLU A 52 -3.967 1.004 -3.234 1.00 0.00 C ATOM 797 CG GLU A 52 -5.175 0.657 -4.088 1.00 0.00 C ATOM 798 CD GLU A 52 -4.817 0.482 -5.546 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.069 1.408 -6.344 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.276 -0.584 -5.900 1.00 0.00 O ATOM 0 H GLU A 52 -5.052 2.910 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.657 0.007 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.609 1.995 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.163 0.301 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.629 -0.261 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.923 1.444 -3.992 1.00 0.00 H new ATOM 807 N PHE A 53 -2.535 0.179 -0.237 1.00 0.00 N ATOM 808 CA PHE A 53 -1.297 0.227 0.525 1.00 0.00 C ATOM 809 C PHE A 53 -0.162 -0.415 -0.259 1.00 0.00 C ATOM 810 O PHE A 53 -0.387 -1.116 -1.248 1.00 0.00 O ATOM 811 CB PHE A 53 -1.462 -0.512 1.856 1.00 0.00 C ATOM 812 CG PHE A 53 -2.260 0.228 2.887 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.603 0.501 2.690 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.665 0.635 4.071 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.335 1.168 3.652 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.393 1.303 5.034 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.729 1.567 4.826 1.00 0.00 C ATOM 0 H PHE A 53 -3.041 -0.703 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.059 1.274 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.941 -1.473 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.474 -0.724 2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.083 0.189 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.619 0.427 4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.381 1.377 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.916 1.619 5.950 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.301 2.086 5.581 1.00 0.00 H new ATOM 827 N HIS A 54 1.059 -0.165 0.193 1.00 0.00 N ATOM 828 CA HIS A 54 2.234 -0.848 -0.338 1.00 0.00 C ATOM 829 C HIS A 54 2.467 -2.117 0.445 1.00 0.00 C ATOM 830 O HIS A 54 3.323 -2.929 0.105 1.00 0.00 O ATOM 831 CB HIS A 54 3.491 0.018 -0.222 1.00 0.00 C ATOM 832 CG HIS A 54 3.500 1.225 -1.108 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.933 1.195 -2.415 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.150 2.509 -0.861 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.851 2.404 -2.932 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.377 3.221 -2.011 1.00 0.00 N ATOM 0 H HIS A 54 1.264 0.509 0.930 1.00 0.00 H new ATOM 0 HA HIS A 54 2.047 -1.060 -1.391 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.599 0.342 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.361 -0.595 -0.456 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.764 2.900 0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.125 2.680 -3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.207 4.219 -2.134 1.00 0.00 H new ATOM 845 N GLU A 55 1.702 -2.269 1.511 1.00 0.00 N ATOM 846 CA GLU A 55 1.955 -3.312 2.472 1.00 0.00 C ATOM 847 C GLU A 55 0.643 -3.881 3.007 1.00 0.00 C ATOM 848 O GLU A 55 -0.096 -3.204 3.720 1.00 0.00 O ATOM 849 CB GLU A 55 2.805 -2.733 3.601 1.00 0.00 C ATOM 850 CG GLU A 55 3.899 -3.665 4.067 1.00 0.00 C ATOM 851 CD GLU A 55 3.354 -4.843 4.841 1.00 0.00 C ATOM 852 OE1 GLU A 55 3.411 -4.805 6.083 1.00 0.00 O ATOM 853 OE2 GLU A 55 2.839 -5.790 4.215 1.00 0.00 O ATOM 0 H GLU A 55 0.899 -1.678 1.728 1.00 0.00 H new ATOM 0 HA GLU A 55 2.492 -4.133 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.253 -1.798 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.159 -2.492 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.458 -4.027 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.601 -3.114 4.693 1.00 0.00 H new ATOM 860 N HIS A 56 0.372 -5.131 2.662 1.00 0.00 N ATOM 861 CA HIS A 56 -0.878 -5.786 3.026 1.00 0.00 C ATOM 862 C HIS A 56 -0.972 -6.031 4.532 1.00 0.00 C ATOM 863 O HIS A 56 -2.059 -5.975 5.103 1.00 0.00 O ATOM 864 CB HIS A 56 -1.021 -7.110 2.262 1.00 0.00 C ATOM 865 CG HIS A 56 -2.135 -7.985 2.756 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.470 -7.699 2.563 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.100 -9.142 3.457 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.202 -8.642 3.126 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.397 -9.529 3.672 1.00 0.00 N ATOM 0 H HIS A 56 1.009 -5.719 2.124 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.695 -5.120 2.750 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.185 -6.892 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.083 -7.660 2.332 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.834 -6.887 2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.214 -9.664 3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.281 -8.680 3.137 1.00 0.00 H new ATOM 878 N ARG A 57 0.158 -6.294 5.171 1.00 0.00 N ATOM 879 CA ARG A 57 0.158 -6.624 6.592 1.00 0.00 C ATOM 880 C ARG A 57 -0.193 -5.393 7.421 1.00 0.00 C ATOM 881 O ARG A 57 -0.833 -5.492 8.468 1.00 0.00 O ATOM 882 CB ARG A 57 1.513 -7.196 7.007 1.00 0.00 C ATOM 883 CG ARG A 57 1.966 -8.342 6.121 1.00 0.00 C ATOM 884 CD ARG A 57 3.356 -8.819 6.498 1.00 0.00 C ATOM 885 NE ARG A 57 3.937 -9.682 5.472 1.00 0.00 N ATOM 886 CZ ARG A 57 5.248 -9.865 5.311 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.108 -9.292 6.145 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.694 -10.625 4.322 1.00 0.00 N ATOM 0 H ARG A 57 1.080 -6.286 4.735 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.600 -7.385 6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.261 -6.403 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.455 -7.542 8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.261 -9.169 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.960 -8.022 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.004 -7.957 6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.309 -9.360 7.443 1.00 0.00 H new ATOM 0 HE ARG A 57 3.303 -10.173 4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.766 -8.711 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.110 -9.433 6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.035 -11.070 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.697 -10.765 4.199 1.00 0.00 H new ATOM 902 N HIS A 58 0.200 -4.226 6.924 1.00 0.00 N ATOM 903 CA HIS A 58 -0.161 -2.966 7.562 1.00 0.00 C ATOM 904 C HIS A 58 -1.585 -2.585 7.184 1.00 0.00 C ATOM 905 O HIS A 58 -2.323 -2.018 7.985 1.00 0.00 O ATOM 906 CB HIS A 58 0.802 -1.846 7.159 1.00 0.00 C ATOM 907 CG HIS A 58 2.124 -1.883 7.867 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.265 -2.417 7.311 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.494 -1.405 9.079 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.275 -2.259 8.143 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.835 -1.651 9.224 1.00 0.00 N ATOM 0 H HIS A 58 0.768 -4.126 6.083 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.094 -3.100 8.642 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.977 -1.902 6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.325 -0.885 7.354 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.320 -2.866 6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.851 -0.920 9.799 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.293 -2.575 7.967 1.00 0.00 H new ATOM 920 N ALA A 59 -1.965 -2.912 5.957 1.00 0.00 N ATOM 921 CA ALA A 59 -3.319 -2.675 5.479 1.00 0.00 C ATOM 922 C ALA A 59 -4.332 -3.414 6.348 1.00 0.00 C ATOM 923 O ALA A 59 -5.398 -2.891 6.669 1.00 0.00 O ATOM 924 CB ALA A 59 -3.440 -3.124 4.032 1.00 0.00 C ATOM 0 H ALA A 59 -1.349 -3.346 5.270 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.531 -1.607 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.456 -2.944 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.737 -2.562 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.214 -4.188 3.961 1.00 0.00 H new ATOM 930 N ALA A 60 -3.977 -4.636 6.726 1.00 0.00 N ATOM 931 CA ALA A 60 -4.808 -5.455 7.594 1.00 0.00 C ATOM 932 C ALA A 60 -4.993 -4.796 8.955 1.00 0.00 C ATOM 933 O ALA A 60 -6.075 -4.850 9.546 1.00 0.00 O ATOM 934 CB ALA A 60 -4.181 -6.825 7.762 1.00 0.00 C ATOM 0 H ALA A 60 -3.107 -5.084 6.439 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.789 -5.560 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.808 -7.435 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.093 -7.307 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.191 -6.720 8.206 1.00 0.00 H new ATOM 940 N ALA A 61 -3.931 -4.181 9.452 1.00 0.00 N ATOM 941 CA ALA A 61 -3.981 -3.499 10.732 1.00 0.00 C ATOM 942 C ALA A 61 -4.898 -2.285 10.657 1.00 0.00 C ATOM 943 O ALA A 61 -5.682 -2.030 11.572 1.00 0.00 O ATOM 944 CB ALA A 61 -2.586 -3.090 11.165 1.00 0.00 C ATOM 0 H ALA A 61 -3.024 -4.141 8.987 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.386 -4.186 11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.639 -2.579 12.127 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.959 -3.977 11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.156 -2.419 10.421 1.00 0.00 H new ATOM 950 N ALA A 62 -4.808 -1.552 9.552 1.00 0.00 N ATOM 951 CA ALA A 62 -5.659 -0.387 9.331 1.00 0.00 C ATOM 952 C ALA A 62 -7.123 -0.802 9.227 1.00 0.00 C ATOM 953 O ALA A 62 -8.013 -0.074 9.659 1.00 0.00 O ATOM 954 CB ALA A 62 -5.224 0.357 8.076 1.00 0.00 C ATOM 0 H ALA A 62 -4.153 -1.744 8.794 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.554 0.283 10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.868 1.223 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.192 0.688 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.300 -0.307 7.215 1.00 0.00 H new ATOM 960 N LEU A 63 -7.354 -1.982 8.658 1.00 0.00 N ATOM 961 CA LEU A 63 -8.697 -2.545 8.538 1.00 0.00 C ATOM 962 C LEU A 63 -9.374 -2.590 9.905 1.00 0.00 C ATOM 963 O LEU A 63 -10.421 -1.976 10.117 1.00 0.00 O ATOM 964 CB LEU A 63 -8.601 -3.961 7.926 1.00 0.00 C ATOM 965 CG LEU A 63 -9.915 -4.640 7.487 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.754 -5.086 8.678 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.718 -3.718 6.591 1.00 0.00 C ATOM 0 H LEU A 63 -6.620 -2.573 8.269 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.301 -1.916 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.944 -3.908 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.115 -4.610 8.655 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.644 -5.534 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.669 -5.559 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.187 -5.799 9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.007 -4.220 9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.641 -4.215 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.957 -2.803 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.134 -3.473 5.704 1.00 0.00 H new ATOM 979 N ALA A 64 -8.746 -3.290 10.840 1.00 0.00 N ATOM 980 CA ALA A 64 -9.334 -3.518 12.153 1.00 0.00 C ATOM 981 C ALA A 64 -9.268 -2.273 13.033 1.00 0.00 C ATOM 982 O ALA A 64 -10.006 -2.156 14.011 1.00 0.00 O ATOM 983 CB ALA A 64 -8.638 -4.681 12.840 1.00 0.00 C ATOM 0 H ALA A 64 -7.826 -3.711 10.713 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.387 -3.759 12.005 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.084 -4.844 13.821 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.751 -5.581 12.236 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.578 -4.453 12.957 1.00 0.00 H new ATOM 989 N ALA A 65 -8.382 -1.350 12.690 1.00 0.00 N ATOM 990 CA ALA A 65 -8.185 -0.153 13.497 1.00 0.00 C ATOM 991 C ALA A 65 -9.133 0.973 13.093 1.00 0.00 C ATOM 992 O ALA A 65 -9.589 1.744 13.940 1.00 0.00 O ATOM 993 CB ALA A 65 -6.742 0.323 13.398 1.00 0.00 C ATOM 0 H ALA A 65 -7.789 -1.405 11.862 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.409 -0.420 14.530 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.612 1.218 14.006 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.075 -0.461 13.757 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.505 0.553 12.359 1.00 0.00 H new ATOM 999 N MET A 66 -9.428 1.070 11.804 1.00 0.00 N ATOM 1000 CA MET A 66 -10.201 2.195 11.289 1.00 0.00 C ATOM 1001 C MET A 66 -11.680 1.851 11.145 1.00 0.00 C ATOM 1002 O MET A 66 -12.530 2.743 11.149 1.00 0.00 O ATOM 1003 CB MET A 66 -9.640 2.644 9.939 1.00 0.00 C ATOM 1004 CG MET A 66 -10.080 4.040 9.532 1.00 0.00 C ATOM 1005 SD MET A 66 -9.630 5.284 10.759 1.00 0.00 S ATOM 1006 CE MET A 66 -7.863 5.018 10.882 1.00 0.00 C ATOM 0 H MET A 66 -9.147 0.389 11.099 1.00 0.00 H new ATOM 0 HA MET A 66 -10.117 3.008 12.010 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.551 2.612 9.979 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.952 1.936 9.172 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.627 4.297 8.574 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.160 4.050 9.387 1.00 0.00 H new ATOM 0 HE1 MET A 66 -7.409 5.841 11.434 1.00 0.00 H new ATOM 0 HE2 MET A 66 -7.672 4.081 11.405 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.432 4.970 9.882 1.00 0.00 H new ATOM 1016 N ASN A 67 -11.993 0.567 11.007 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.382 0.146 10.847 1.00 0.00 C ATOM 1018 C ASN A 67 -14.182 0.467 12.101 1.00 0.00 C ATOM 1019 O ASN A 67 -13.978 -0.140 13.155 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.480 -1.351 10.537 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.917 -1.803 10.340 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.770 -1.029 9.902 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.197 -3.058 10.656 1.00 0.00 N ATOM 0 H ASN A 67 -11.313 -0.193 11.002 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.799 0.697 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.905 -1.573 9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.030 -1.919 11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.146 -3.414 10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.464 -3.669 11.016 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.092 1.419 11.980 1.00 0.00 N ATOM 1031 CA GLY A 68 -15.891 1.825 13.116 1.00 0.00 C ATOM 1032 C GLY A 68 -15.516 3.199 13.622 1.00 0.00 C ATOM 1033 O GLY A 68 -16.015 3.645 14.652 1.00 0.00 O ATOM 0 H GLY A 68 -15.292 1.919 11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.945 1.819 12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.770 1.099 13.920 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.629 3.872 12.899 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.246 5.228 13.248 1.00 0.00 C ATOM 1039 C ARG A 69 -15.347 6.187 12.824 1.00 0.00 C ATOM 1040 O ARG A 69 -16.137 5.873 11.942 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.924 5.605 12.576 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.464 7.017 12.896 1.00 0.00 C ATOM 1043 CD ARG A 69 -12.091 7.168 14.359 1.00 0.00 C ATOM 1044 NE ARG A 69 -11.850 8.566 14.711 1.00 0.00 N ATOM 1045 CZ ARG A 69 -11.491 8.986 15.922 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -11.267 8.115 16.900 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -11.337 10.285 16.146 1.00 0.00 N ATOM 0 H ARG A 69 -14.165 3.500 12.071 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.106 5.292 14.327 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.153 4.901 12.888 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.032 5.502 11.496 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.606 7.270 12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.257 7.723 12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.891 6.768 14.982 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.198 6.580 14.570 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.965 9.267 13.979 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.370 7.115 16.726 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.992 8.446 17.825 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.494 10.955 15.393 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.062 10.614 17.072 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.401 7.348 13.442 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.433 8.315 13.125 1.00 0.00 C ATOM 1063 C LYS A 70 -15.809 9.584 12.571 1.00 0.00 C ATOM 1064 O LYS A 70 -15.034 10.259 13.253 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.278 8.618 14.361 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.528 9.421 14.058 1.00 0.00 C ATOM 1067 CD LYS A 70 -19.425 9.517 15.275 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.740 10.189 14.938 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.646 10.243 16.111 1.00 0.00 N ATOM 0 H LYS A 70 -14.745 7.645 14.164 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.088 7.893 12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.565 7.679 14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.670 9.165 15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.250 10.422 13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.073 8.955 13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.615 8.519 15.669 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.918 10.078 16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.550 11.200 14.578 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.227 9.648 14.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.535 10.710 15.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.847 9.277 16.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.191 10.780 16.876 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.151 9.904 11.333 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.551 11.029 10.633 1.00 0.00 C ATOM 1085 C ILE A 71 -16.628 11.961 10.092 1.00 0.00 C ATOM 1086 O ILE A 71 -17.460 11.558 9.277 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.656 10.551 9.465 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.558 9.612 9.980 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.044 11.745 8.740 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.708 9.006 8.882 1.00 0.00 C ATOM 0 H ILE A 71 -16.847 9.395 10.788 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.933 11.567 11.352 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.275 10.000 8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.913 10.163 10.664 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.020 8.809 10.555 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.417 11.391 7.921 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.839 12.376 8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.438 12.323 9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.954 8.354 9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.341 8.426 8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.217 9.801 8.321 1.00 0.00 H new ATOM 1102 N MET A 72 -16.613 13.201 10.572 1.00 0.00 N ATOM 1103 CA MET A 72 -17.541 14.236 10.115 1.00 0.00 C ATOM 1104 C MET A 72 -18.990 13.845 10.399 1.00 0.00 C ATOM 1105 O MET A 72 -19.891 14.141 9.611 1.00 0.00 O ATOM 1106 CB MET A 72 -17.352 14.523 8.619 1.00 0.00 C ATOM 1107 CG MET A 72 -15.956 15.005 8.258 1.00 0.00 C ATOM 1108 SD MET A 72 -15.450 16.456 9.201 1.00 0.00 S ATOM 1109 CE MET A 72 -13.864 16.805 8.448 1.00 0.00 C ATOM 0 H MET A 72 -15.959 13.518 11.288 1.00 0.00 H new ATOM 0 HA MET A 72 -17.317 15.145 10.673 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.571 13.617 8.054 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.077 15.275 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.243 14.199 8.430 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.922 15.239 7.194 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.420 17.680 8.923 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.204 15.948 8.577 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.001 17.001 7.385 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.206 13.166 11.520 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.555 12.819 11.929 1.00 0.00 C ATOM 1121 C GLY A 73 -20.969 11.417 11.514 1.00 0.00 C ATOM 1122 O GLY A 73 -21.913 10.856 12.072 1.00 0.00 O ATOM 0 H GLY A 73 -18.471 12.850 12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.632 12.907 13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.253 13.538 11.500 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.265 10.842 10.549 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.614 9.519 10.047 1.00 0.00 C ATOM 1128 C LYS A 74 -19.580 8.485 10.452 1.00 0.00 C ATOM 1129 O LYS A 74 -18.377 8.726 10.362 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.761 9.535 8.525 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.954 10.340 8.036 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.130 10.213 6.533 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.428 8.778 6.128 1.00 0.00 C ATOM 1134 NZ LYS A 74 -23.718 8.287 6.689 1.00 0.00 N ATOM 0 H LYS A 74 -19.454 11.267 10.100 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.570 9.244 10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.852 9.945 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.854 8.510 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.858 9.997 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.820 11.389 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.942 10.861 6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.226 10.554 6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.458 8.709 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.618 8.132 6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.961 7.374 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.626 8.166 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.469 8.977 6.488 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.060 7.342 10.910 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.191 6.247 11.289 1.00 0.00 C ATOM 1150 C GLU A 75 -18.836 5.415 10.063 1.00 0.00 C ATOM 1151 O GLU A 75 -19.710 4.853 9.396 1.00 0.00 O ATOM 1152 CB GLU A 75 -19.863 5.382 12.357 1.00 0.00 C ATOM 1153 CG GLU A 75 -20.272 6.178 13.589 1.00 0.00 C ATOM 1154 CD GLU A 75 -20.899 5.326 14.671 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -21.860 4.588 14.369 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -20.461 5.423 15.837 1.00 0.00 O ATOM 0 H GLU A 75 -21.055 7.150 11.028 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.271 6.653 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -20.745 4.904 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.181 4.585 12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.395 6.682 13.995 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.977 6.955 13.294 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.548 5.353 9.776 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.045 4.687 8.589 1.00 0.00 C ATOM 1165 C VAL A 76 -17.058 3.177 8.758 1.00 0.00 C ATOM 1166 O VAL A 76 -17.007 2.658 9.878 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.608 5.130 8.272 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.531 6.643 8.129 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.655 4.630 9.345 1.00 0.00 C ATOM 0 H VAL A 76 -16.820 5.764 10.361 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.704 4.967 7.767 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.309 4.691 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.505 6.936 7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.186 6.966 7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.847 7.113 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.640 4.951 9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.949 5.039 10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.691 3.541 9.385 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.110 2.475 7.639 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.124 1.025 7.652 1.00 0.00 C ATOM 1181 C LYS A 77 -16.088 0.488 6.683 1.00 0.00 C ATOM 1182 O LYS A 77 -16.219 0.638 5.470 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.521 0.524 7.295 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.589 1.079 8.218 1.00 0.00 C ATOM 1185 CD LYS A 77 -19.528 0.435 9.592 1.00 0.00 C ATOM 1186 CE LYS A 77 -20.472 1.114 10.573 1.00 0.00 C ATOM 1187 NZ LYS A 77 -20.419 0.481 11.916 1.00 0.00 N ATOM 0 H LYS A 77 -17.143 2.889 6.707 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.872 0.666 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.752 0.803 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.536 -0.565 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.463 2.157 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.573 0.911 7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.785 -0.621 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.508 0.486 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.211 2.169 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.491 1.067 10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.076 0.971 12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.692 -0.520 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.452 0.548 12.293 1.00 0.00 H new ATOM 1201 N VAL A 78 -15.051 -0.119 7.234 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.939 -0.602 6.435 1.00 0.00 C ATOM 1203 C VAL A 78 -13.987 -2.120 6.333 1.00 0.00 C ATOM 1204 O VAL A 78 -13.894 -2.820 7.341 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.579 -0.176 7.037 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.449 -0.432 6.052 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.602 1.286 7.465 1.00 0.00 C ATOM 0 H VAL A 78 -14.956 -0.289 8.235 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.032 -0.159 5.443 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.401 -0.782 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.502 -0.125 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.409 -1.494 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.624 0.140 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.633 1.558 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.812 1.915 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.377 1.433 8.217 1.00 0.00 H new ATOM 1217 N ASN A 79 -14.160 -2.623 5.123 1.00 0.00 N ATOM 1218 CA ASN A 79 -14.144 -4.058 4.890 1.00 0.00 C ATOM 1219 C ASN A 79 -13.122 -4.407 3.821 1.00 0.00 C ATOM 1220 O ASN A 79 -12.595 -3.525 3.140 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.532 -4.579 4.488 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.069 -3.962 3.210 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.769 -2.952 3.245 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -15.763 -4.571 2.075 1.00 0.00 N ATOM 0 H ASN A 79 -14.313 -2.060 4.286 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.863 -4.544 5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.483 -5.661 4.366 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.233 -4.382 5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.111 -4.204 1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.179 -5.407 2.086 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.836 -5.695 3.684 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.870 -6.165 2.702 1.00 0.00 C ATOM 1233 C TRP A 80 -12.395 -5.964 1.285 1.00 0.00 C ATOM 1234 O TRP A 80 -13.478 -6.445 0.942 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.567 -7.650 2.910 1.00 0.00 C ATOM 1236 CG TRP A 80 -11.221 -8.012 4.317 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -10.322 -7.386 5.129 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -11.756 -9.103 5.072 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.273 -8.013 6.351 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -11.144 -9.073 6.338 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -12.697 -10.100 4.800 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -11.446 -10.004 7.331 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -12.993 -11.024 5.784 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -12.369 -10.970 7.036 1.00 0.00 C ATOM 0 H TRP A 80 -13.261 -6.435 4.243 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.958 -5.584 2.836 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -12.434 -8.233 2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.740 -7.935 2.259 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -9.734 -6.523 4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -9.686 -7.736 7.138 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -13.184 -10.147 3.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -10.968 -9.964 8.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -13.717 -11.800 5.584 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -12.621 -11.706 7.785 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.639 -5.243 0.470 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.953 -5.134 -0.944 1.00 0.00 C ATOM 1257 C ALA A 81 -11.121 -6.146 -1.718 1.00 0.00 C ATOM 1258 O ALA A 81 -9.997 -5.866 -2.138 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.706 -3.720 -1.453 1.00 0.00 C ATOM 0 H ALA A 81 -10.809 -4.728 0.763 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.011 -5.349 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.949 -3.668 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.334 -3.020 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.658 -3.459 -1.308 1.00 0.00 H new ATOM 1265 N THR A 82 -11.679 -7.329 -1.889 1.00 0.00 N ATOM 1266 CA THR A 82 -10.984 -8.422 -2.535 1.00 0.00 C ATOM 1267 C THR A 82 -11.355 -8.519 -4.008 1.00 0.00 C ATOM 1268 O THR A 82 -12.369 -7.968 -4.447 1.00 0.00 O ATOM 1269 CB THR A 82 -11.313 -9.758 -1.840 1.00 0.00 C ATOM 1270 OG1 THR A 82 -12.717 -9.819 -1.549 1.00 0.00 O ATOM 1271 CG2 THR A 82 -10.513 -9.920 -0.553 1.00 0.00 C ATOM 0 H THR A 82 -12.625 -7.558 -1.584 1.00 0.00 H new ATOM 0 HA THR A 82 -9.915 -8.222 -2.455 1.00 0.00 H new ATOM 0 HB THR A 82 -11.042 -10.570 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.923 -10.670 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.766 -10.871 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.448 -9.900 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.753 -9.105 0.129 1.00 0.00 H new ATOM 1279 N THR A 83 -10.520 -9.200 -4.770 1.00 0.00 N ATOM 1280 CA THR A 83 -10.808 -9.462 -6.162 1.00 0.00 C ATOM 1281 C THR A 83 -11.052 -10.957 -6.361 1.00 0.00 C ATOM 1282 O THR A 83 -10.135 -11.766 -6.206 1.00 0.00 O ATOM 1283 CB THR A 83 -9.652 -8.985 -7.063 1.00 0.00 C ATOM 1284 OG1 THR A 83 -9.350 -7.612 -6.769 1.00 0.00 O ATOM 1285 CG2 THR A 83 -10.015 -9.120 -8.537 1.00 0.00 C ATOM 0 H THR A 83 -9.633 -9.582 -4.443 1.00 0.00 H new ATOM 0 HA THR A 83 -11.704 -8.909 -6.444 1.00 0.00 H new ATOM 0 HB THR A 83 -8.781 -9.610 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.614 -7.309 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.182 -8.776 -9.150 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.227 -10.165 -8.765 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.896 -8.516 -8.751 1.00 0.00 H new ATOM 1293 N PRO A 84 -12.304 -11.337 -6.668 1.00 0.00 N ATOM 1294 CA PRO A 84 -12.692 -12.739 -6.860 1.00 0.00 C ATOM 1295 C PRO A 84 -11.954 -13.384 -8.023 1.00 0.00 C ATOM 1296 O PRO A 84 -12.356 -13.262 -9.180 1.00 0.00 O ATOM 1297 CB PRO A 84 -14.196 -12.673 -7.151 1.00 0.00 C ATOM 1298 CG PRO A 84 -14.627 -11.333 -6.663 1.00 0.00 C ATOM 1299 CD PRO A 84 -13.445 -10.427 -6.853 1.00 0.00 C ATOM 0 HA PRO A 84 -12.447 -13.347 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.397 -12.788 -8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.732 -13.471 -6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.490 -10.972 -7.223 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.922 -11.375 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.441 -9.969 -7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.437 -9.615 -6.126 1.00 0.00 H new ATOM 1307 N SER A 85 -10.864 -14.058 -7.707 1.00 0.00 N ATOM 1308 CA SER A 85 -10.065 -14.729 -8.712 1.00 0.00 C ATOM 1309 C SER A 85 -10.625 -16.124 -8.969 1.00 0.00 C ATOM 1310 O SER A 85 -10.032 -17.131 -8.580 1.00 0.00 O ATOM 1311 CB SER A 85 -8.606 -14.800 -8.254 1.00 0.00 C ATOM 1312 OG SER A 85 -7.748 -15.239 -9.295 1.00 0.00 O ATOM 0 H SER A 85 -10.511 -14.155 -6.755 1.00 0.00 H new ATOM 0 HA SER A 85 -10.104 -14.166 -9.644 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.285 -13.817 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.524 -15.479 -7.405 1.00 0.00 H new ATOM 0 HG SER A 85 -6.989 -14.624 -9.375 1.00 0.00 H new ATOM 1318 N SER A 86 -11.787 -16.169 -9.603 1.00 0.00 N ATOM 1319 CA SER A 86 -12.440 -17.428 -9.917 1.00 0.00 C ATOM 1320 C SER A 86 -11.698 -18.155 -11.036 1.00 0.00 C ATOM 1321 O SER A 86 -12.032 -18.025 -12.216 1.00 0.00 O ATOM 1322 CB SER A 86 -13.896 -17.168 -10.304 1.00 0.00 C ATOM 1323 OG SER A 86 -14.556 -16.439 -9.283 1.00 0.00 O ATOM 0 H SER A 86 -12.299 -15.342 -9.911 1.00 0.00 H new ATOM 0 HA SER A 86 -12.421 -18.070 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.936 -16.612 -11.241 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.409 -18.115 -10.473 1.00 0.00 H new ATOM 0 HG SER A 86 -15.487 -16.278 -9.545 1.00 0.00 H new ATOM 1329 N GLN A 87 -10.676 -18.904 -10.653 1.00 0.00 N ATOM 1330 CA GLN A 87 -9.863 -19.637 -11.607 1.00 0.00 C ATOM 1331 C GLN A 87 -10.441 -21.021 -11.853 1.00 0.00 C ATOM 1332 O GLN A 87 -10.626 -21.436 -12.998 1.00 0.00 O ATOM 1333 CB GLN A 87 -8.421 -19.753 -11.103 1.00 0.00 C ATOM 1334 CG GLN A 87 -7.721 -18.413 -10.927 1.00 0.00 C ATOM 1335 CD GLN A 87 -7.692 -17.600 -12.206 1.00 0.00 C ATOM 1336 OE1 GLN A 87 -6.772 -17.724 -13.014 1.00 0.00 O ATOM 1337 NE2 GLN A 87 -8.690 -16.752 -12.391 1.00 0.00 N ATOM 0 H GLN A 87 -10.390 -19.020 -9.681 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.864 -19.087 -12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.421 -20.280 -10.149 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.849 -20.362 -11.804 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.227 -17.842 -10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.700 -18.582 -10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.433 -16.680 -11.696 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.716 -16.170 -13.228 1.00 0.00 H new ATOM 1346 N LYS A 88 -10.756 -21.726 -10.775 1.00 0.00 N ATOM 1347 CA LYS A 88 -11.273 -23.082 -10.884 1.00 0.00 C ATOM 1348 C LYS A 88 -12.780 -23.068 -11.140 1.00 0.00 C ATOM 1349 O LYS A 88 -13.593 -23.434 -10.288 1.00 0.00 O ATOM 1350 CB LYS A 88 -10.905 -23.915 -9.646 1.00 0.00 C ATOM 1351 CG LYS A 88 -11.212 -23.249 -8.313 1.00 0.00 C ATOM 1352 CD LYS A 88 -10.597 -24.024 -7.154 1.00 0.00 C ATOM 1353 CE LYS A 88 -9.082 -24.090 -7.278 1.00 0.00 C ATOM 1354 NZ LYS A 88 -8.456 -24.851 -6.167 1.00 0.00 N ATOM 0 H LYS A 88 -10.663 -21.383 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.802 -23.562 -11.742 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -11.438 -24.864 -9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.840 -24.145 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.828 -22.229 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.291 -23.182 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.867 -23.548 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.007 -25.034 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.818 -24.555 -8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.677 -23.078 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.424 -24.868 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.684 -24.394 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.821 -25.825 -6.165 1.00 0.00 H new ATOM 1368 N LYS A 89 -13.127 -22.619 -12.336 1.00 0.00 N ATOM 1369 CA LYS A 89 -14.505 -22.591 -12.808 1.00 0.00 C ATOM 1370 C LYS A 89 -14.544 -23.069 -14.252 1.00 0.00 C ATOM 1371 O LYS A 89 -15.326 -23.948 -14.620 1.00 0.00 O ATOM 1372 CB LYS A 89 -15.079 -21.173 -12.716 1.00 0.00 C ATOM 1373 CG LYS A 89 -16.432 -21.027 -13.386 1.00 0.00 C ATOM 1374 CD LYS A 89 -16.855 -19.575 -13.483 1.00 0.00 C ATOM 1375 CE LYS A 89 -18.092 -19.418 -14.353 1.00 0.00 C ATOM 1376 NZ LYS A 89 -17.869 -19.928 -15.733 1.00 0.00 N ATOM 0 H LYS A 89 -12.455 -22.260 -13.014 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.110 -23.247 -12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.169 -20.893 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.378 -20.475 -13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.393 -21.462 -14.385 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.179 -21.587 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.057 -19.185 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.039 -18.983 -13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.926 -19.953 -13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.374 -18.366 -14.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.264 -19.254 -16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.849 -20.037 -15.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.339 -20.849 -15.843 1.00 0.00 H new ATOM 1390 N ASP A 90 -13.691 -22.461 -15.062 1.00 0.00 N ATOM 1391 CA ASP A 90 -13.497 -22.877 -16.440 1.00 0.00 C ATOM 1392 C ASP A 90 -12.115 -23.497 -16.573 1.00 0.00 C ATOM 1393 O ASP A 90 -11.526 -23.885 -15.564 1.00 0.00 O ATOM 1394 CB ASP A 90 -13.654 -21.690 -17.396 1.00 0.00 C ATOM 1395 CG ASP A 90 -15.091 -21.220 -17.504 1.00 0.00 C ATOM 1396 OD1 ASP A 90 -15.419 -20.147 -16.953 1.00 0.00 O ATOM 1397 OD2 ASP A 90 -15.908 -21.929 -18.132 1.00 0.00 O ATOM 0 H ASP A 90 -13.115 -21.667 -14.782 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.255 -23.613 -16.707 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.030 -20.865 -17.052 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.292 -21.973 -18.384 1.00 0.00 H new ATOM 1402 N THR A 91 -11.603 -23.589 -17.797 1.00 0.00 N ATOM 1403 CA THR A 91 -10.305 -24.212 -18.041 1.00 0.00 C ATOM 1404 C THR A 91 -10.360 -25.699 -17.685 1.00 0.00 C ATOM 1405 O THR A 91 -10.147 -26.083 -16.530 1.00 0.00 O ATOM 1406 CB THR A 91 -9.183 -23.509 -17.240 1.00 0.00 C ATOM 1407 OG1 THR A 91 -9.203 -22.105 -17.526 1.00 0.00 O ATOM 1408 CG2 THR A 91 -7.813 -24.077 -17.586 1.00 0.00 C ATOM 0 H THR A 91 -12.067 -23.240 -18.636 1.00 0.00 H new ATOM 0 HA THR A 91 -10.074 -24.107 -19.101 1.00 0.00 H new ATOM 0 HB THR A 91 -9.363 -23.680 -16.179 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.494 -21.658 -17.018 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.048 -23.561 -17.006 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.790 -25.141 -17.351 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.619 -23.936 -18.649 1.00 0.00 H new ATOM 1416 N SER A 92 -10.663 -26.520 -18.688 1.00 0.00 N ATOM 1417 CA SER A 92 -10.873 -27.953 -18.501 1.00 0.00 C ATOM 1418 C SER A 92 -12.110 -28.199 -17.640 1.00 0.00 C ATOM 1419 O SER A 92 -13.233 -28.119 -18.184 1.00 0.00 O ATOM 1420 CB SER A 92 -9.636 -28.618 -17.884 1.00 0.00 C ATOM 1421 OG SER A 92 -8.510 -28.501 -18.745 1.00 0.00 O ATOM 1422 OXT SER A 92 -11.967 -28.465 -16.428 1.00 0.00 O ATOM 0 H SER A 92 -10.770 -26.210 -19.654 1.00 0.00 H new ATOM 0 HA SER A 92 -11.037 -28.405 -19.479 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.412 -28.156 -16.922 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.843 -29.671 -17.691 1.00 0.00 H new ATOM 0 HG SER A 92 -7.734 -28.931 -18.329 1.00 0.00 H new TER 1428 SER A 92