USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 734 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 39 GLN :FLIP amide:sc= -0.0333 X(o=-0.28,f=-0.27) USER MOD Set 1.2: A 105 HIS :FLIP no HE2:sc= -0.237 F(o=-1.2,f=-0.27) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= -0.56! USER MOD Set 2.2: A 26 SER OG : rot 180:sc= -0.18 USER MOD Set 3.1: A 11 GLN : amide:sc= -9.81! C(o=-20!,f=-25!) USER MOD Set 3.2: A 15 ASN : amide:sc= -10.2! C(o=-20!,f=-25!) USER MOD Single : A 1 GLU N :NH3+ 125:sc= -0.937! (180deg=-2.82) USER MOD Single : A 2 LYS NZ :NH3+ -131:sc= 0.666 (180deg=0.0153) USER MOD Single : A 9 SER OG : rot -73:sc= 1.07! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.4!) USER MOD Single : A 28 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.17) USER MOD Single : A 31 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -121:sc= 0.997 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.18) USER MOD Single : A 55 SER OG : rot 23:sc= 0.039 USER MOD Single : A 60 MET CE :methyl -159:sc= -8.49! (180deg=-11.3!) USER MOD Single : A 61 GLN : amide:sc= -2.14 K(o=-2.1,f=-9.7!) USER MOD Single : A 63 SER OG : rot -32:sc= 0.0506 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -6.57! C(o=-6.6!,f=-6.2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 168:sc= -2.45! USER MOD Single : A 82 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.4!) USER MOD Single : A 86 SER OG : rot 180:sc= -3.04 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -2.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.148 -9.778 19.968 1.00 1.00 N ATOM 2 CA GLU A 1 -5.725 -9.518 19.838 1.00 1.00 C ATOM 3 C GLU A 1 -5.489 -8.100 19.314 1.00 1.00 C ATOM 4 O GLU A 1 -4.489 -7.469 19.650 1.00 1.00 O ATOM 5 CB GLU A 1 -5.058 -10.556 18.930 1.00 1.00 C ATOM 6 CG GLU A 1 -5.525 -10.397 17.482 1.00 1.00 C ATOM 7 CD GLU A 1 -6.908 -11.021 17.280 1.00 1.00 C ATOM 8 OE1 GLU A 1 -7.385 -11.666 18.239 1.00 1.00 O ATOM 9 OE2 GLU A 1 -7.457 -10.838 16.173 1.00 1.00 O ATOM 0 H1 GLU A 1 -7.395 -10.634 19.432 1.00 1.00 H new ATOM 0 H2 GLU A 1 -7.385 -9.917 20.971 1.00 1.00 H new ATOM 0 H3 GLU A 1 -7.684 -8.969 19.594 1.00 1.00 H new ATOM 0 HA GLU A 1 -5.270 -9.600 20.825 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -3.975 -10.447 18.981 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -5.294 -11.560 19.284 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -5.558 -9.339 17.221 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -4.808 -10.869 16.811 1.00 1.00 H new ATOM 16 N LYS A 2 -6.428 -7.641 18.499 1.00 1.00 N ATOM 17 CA LYS A 2 -6.336 -6.309 17.926 1.00 1.00 C ATOM 18 C LYS A 2 -5.263 -6.301 16.837 1.00 1.00 C ATOM 19 O LYS A 2 -4.112 -6.655 17.092 1.00 1.00 O ATOM 20 CB LYS A 2 -6.107 -5.268 19.024 1.00 1.00 C ATOM 21 CG LYS A 2 -7.365 -4.427 19.253 1.00 1.00 C ATOM 22 CD LYS A 2 -7.089 -3.285 20.234 1.00 1.00 C ATOM 23 CE LYS A 2 -8.154 -3.237 21.331 1.00 1.00 C ATOM 24 NZ LYS A 2 -8.549 -1.838 21.610 1.00 1.00 N ATOM 0 H LYS A 2 -7.256 -8.168 18.222 1.00 1.00 H new ATOM 0 HA LYS A 2 -7.277 -6.033 17.449 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -5.826 -5.768 19.951 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -5.276 -4.619 18.747 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -7.713 -4.020 18.304 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.164 -5.059 19.640 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -6.105 -3.416 20.683 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -7.071 -2.336 19.698 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.027 -3.813 21.024 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -7.770 -3.701 22.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -8.525 -1.668 22.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -7.888 -1.190 21.136 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -9.512 -1.672 21.254 1.00 1.00 H new ATOM 38 N PRO A 3 -5.686 -5.881 15.615 1.00 1.00 N ATOM 39 CA PRO A 3 -4.774 -5.823 14.486 1.00 1.00 C ATOM 40 C PRO A 3 -3.829 -4.625 14.606 1.00 1.00 C ATOM 41 O PRO A 3 -3.364 -4.092 13.600 1.00 1.00 O ATOM 42 CB PRO A 3 -5.669 -5.750 13.259 1.00 1.00 C ATOM 43 CG PRO A 3 -7.032 -5.305 13.765 1.00 1.00 C ATOM 44 CD PRO A 3 -7.041 -5.455 15.277 1.00 1.00 C ATOM 0 HA PRO A 3 -4.117 -6.691 14.433 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -5.274 -5.044 12.528 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -5.733 -6.719 12.764 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -7.224 -4.270 13.483 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.821 -5.909 13.317 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.294 -4.515 15.767 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -7.779 -6.190 15.598 1.00 1.00 H new ATOM 52 N ALA A 4 -3.572 -4.238 15.848 1.00 1.00 N ATOM 53 CA ALA A 4 -2.691 -3.114 16.113 1.00 1.00 C ATOM 54 C ALA A 4 -3.474 -1.809 15.956 1.00 1.00 C ATOM 55 O ALA A 4 -4.468 -1.760 15.233 1.00 1.00 O ATOM 56 CB ALA A 4 -1.480 -3.182 15.179 1.00 1.00 C ATOM 0 H ALA A 4 -3.959 -4.683 16.680 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.317 -3.154 17.136 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.819 -2.338 15.378 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -0.941 -4.114 15.350 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.817 -3.142 14.143 1.00 1.00 H new ATOM 62 N ALA A 5 -2.997 -0.783 16.646 1.00 1.00 N ATOM 63 CA ALA A 5 -3.641 0.519 16.592 1.00 1.00 C ATOM 64 C ALA A 5 -2.782 1.473 15.760 1.00 1.00 C ATOM 65 O ALA A 5 -3.253 2.527 15.335 1.00 1.00 O ATOM 66 CB ALA A 5 -3.873 1.033 18.014 1.00 1.00 C ATOM 0 H ALA A 5 -2.173 -0.827 17.245 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.615 0.446 16.109 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.356 2.009 17.974 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.512 0.334 18.554 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -2.917 1.122 18.529 1.00 1.00 H new ATOM 72 N CYS A 6 -1.537 1.071 15.552 1.00 1.00 N ATOM 73 CA CYS A 6 -0.608 1.877 14.779 1.00 1.00 C ATOM 74 C CYS A 6 -1.101 1.920 13.331 1.00 1.00 C ATOM 75 O CYS A 6 -0.668 2.767 12.550 1.00 1.00 O ATOM 76 CB CYS A 6 0.822 1.344 14.879 1.00 1.00 C ATOM 77 SG CYS A 6 1.687 1.756 16.438 1.00 1.00 S ATOM 0 H CYS A 6 -1.150 0.196 15.906 1.00 1.00 H new ATOM 0 HA CYS A 6 -0.577 2.889 15.182 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.799 0.260 14.768 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.401 1.738 14.044 1.00 1.00 H new ATOM 82 N ARG A 7 -1.999 0.999 13.017 1.00 1.00 N ATOM 83 CA ARG A 7 -2.555 0.922 11.676 1.00 1.00 C ATOM 84 C ARG A 7 -4.033 1.316 11.692 1.00 1.00 C ATOM 85 O ARG A 7 -4.817 0.833 10.876 1.00 1.00 O ATOM 86 CB ARG A 7 -2.416 -0.490 11.103 1.00 1.00 C ATOM 87 CG ARG A 7 -2.241 -1.521 12.221 1.00 1.00 C ATOM 88 CD ARG A 7 -2.095 -2.932 11.647 1.00 1.00 C ATOM 89 NE ARG A 7 -1.105 -3.699 12.437 1.00 1.00 N ATOM 90 CZ ARG A 7 -1.145 -5.027 12.603 1.00 1.00 C ATOM 91 NH1 ARG A 7 -2.125 -5.745 12.036 1.00 1.00 N ATOM 92 NH2 ARG A 7 -0.205 -5.639 13.336 1.00 1.00 N ATOM 0 H ARG A 7 -2.356 0.299 13.668 1.00 1.00 H new ATOM 0 HA ARG A 7 -1.998 1.614 11.045 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.299 -0.735 10.512 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.560 -0.530 10.429 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -1.361 -1.273 12.815 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -3.099 -1.484 12.892 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -3.058 -3.441 11.662 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -1.779 -2.879 10.605 1.00 1.00 H new ATOM 0 HE ARG A 7 -0.346 -3.184 12.882 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -2.841 -5.280 11.478 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -2.155 -6.757 12.163 1.00 1.00 H new ATOM 0 HH21 ARG A 7 0.541 -5.093 13.767 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -0.235 -6.651 13.463 1.00 1.00 H new ATOM 106 N CYS A 8 -4.370 2.190 12.629 1.00 1.00 N ATOM 107 CA CYS A 8 -5.741 2.655 12.761 1.00 1.00 C ATOM 108 C CYS A 8 -5.712 4.096 13.274 1.00 1.00 C ATOM 109 O CYS A 8 -6.240 4.999 12.627 1.00 1.00 O ATOM 110 CB CYS A 8 -6.563 1.741 13.672 1.00 1.00 C ATOM 111 SG CYS A 8 -6.011 -0.004 13.707 1.00 1.00 S ATOM 0 H CYS A 8 -3.718 2.589 13.304 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.233 2.626 11.789 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.531 2.138 14.687 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.604 1.772 13.351 1.00 1.00 H new ATOM 116 N SER A 9 -5.091 4.266 14.432 1.00 1.00 N ATOM 117 CA SER A 9 -4.987 5.581 15.039 1.00 1.00 C ATOM 118 C SER A 9 -4.545 6.607 13.994 1.00 1.00 C ATOM 119 O SER A 9 -5.360 7.088 13.208 1.00 1.00 O ATOM 120 CB SER A 9 -4.010 5.569 16.216 1.00 1.00 C ATOM 121 OG SER A 9 -2.670 5.325 15.796 1.00 1.00 O ATOM 0 H SER A 9 -4.655 3.514 14.966 1.00 1.00 H new ATOM 0 HA SER A 9 -5.970 5.860 15.420 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.058 6.525 16.737 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.312 4.802 16.929 1.00 1.00 H new ATOM 0 HG SER A 9 -2.572 4.383 15.545 1.00 1.00 H new ATOM 127 N ARG A 10 -3.256 6.911 14.018 1.00 1.00 N ATOM 128 CA ARG A 10 -2.696 7.871 13.081 1.00 1.00 C ATOM 129 C ARG A 10 -2.538 7.234 11.699 1.00 1.00 C ATOM 130 O ARG A 10 -1.460 7.281 11.109 1.00 1.00 O ATOM 131 CB ARG A 10 -1.334 8.377 13.560 1.00 1.00 C ATOM 132 CG ARG A 10 -1.076 9.804 13.071 1.00 1.00 C ATOM 133 CD ARG A 10 -1.263 10.814 14.205 1.00 1.00 C ATOM 134 NE ARG A 10 -2.256 11.838 13.813 1.00 1.00 N ATOM 135 CZ ARG A 10 -3.580 11.695 13.957 1.00 1.00 C ATOM 136 NH1 ARG A 10 -4.078 10.568 14.486 1.00 1.00 N ATOM 137 NH2 ARG A 10 -4.407 12.676 13.574 1.00 1.00 N ATOM 0 H ARG A 10 -2.583 6.510 14.671 1.00 1.00 H new ATOM 0 HA ARG A 10 -3.384 8.714 13.020 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -1.294 8.349 14.649 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.548 7.716 13.195 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -0.063 9.879 12.675 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -1.756 10.040 12.253 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -1.594 10.302 15.108 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -0.311 11.290 14.440 1.00 1.00 H new ATOM 0 HE ARG A 10 -1.911 12.708 13.407 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -3.449 9.820 14.778 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -5.086 10.458 14.596 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -4.029 13.534 13.172 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -5.415 12.565 13.684 1.00 1.00 H new ATOM 151 N GLN A 11 -3.631 6.654 11.222 1.00 1.00 N ATOM 152 CA GLN A 11 -3.627 6.008 9.920 1.00 1.00 C ATOM 153 C GLN A 11 -3.662 7.058 8.808 1.00 1.00 C ATOM 154 O GLN A 11 -2.617 7.465 8.300 1.00 1.00 O ATOM 155 CB GLN A 11 -4.797 5.032 9.789 1.00 1.00 C ATOM 156 CG GLN A 11 -4.743 4.287 8.454 1.00 1.00 C ATOM 157 CD GLN A 11 -5.974 3.395 8.273 1.00 1.00 C ATOM 158 OE1 GLN A 11 -7.071 3.714 8.701 1.00 1.00 O ATOM 159 NE2 GLN A 11 -5.730 2.264 7.618 1.00 1.00 N ATOM 0 H GLN A 11 -4.524 6.618 11.714 1.00 1.00 H new ATOM 0 HA GLN A 11 -2.706 5.434 9.823 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -4.771 4.316 10.610 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -5.739 5.575 9.869 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -4.686 5.004 7.635 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -3.839 3.679 8.409 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -4.787 2.060 7.287 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -6.486 1.601 7.447 1.00 1.00 H new ATOM 168 N ASP A 12 -4.873 7.467 8.461 1.00 1.00 N ATOM 169 CA ASP A 12 -5.058 8.461 7.418 1.00 1.00 C ATOM 170 C ASP A 12 -6.331 9.261 7.701 1.00 1.00 C ATOM 171 O ASP A 12 -7.302 8.722 8.229 1.00 1.00 O ATOM 172 CB ASP A 12 -5.210 7.799 6.047 1.00 1.00 C ATOM 173 CG ASP A 12 -5.523 8.758 4.897 1.00 1.00 C ATOM 174 OD1 ASP A 12 -6.706 9.146 4.786 1.00 1.00 O ATOM 175 OD2 ASP A 12 -4.571 9.083 4.154 1.00 1.00 O ATOM 0 H ASP A 12 -5.737 7.128 8.884 1.00 1.00 H new ATOM 0 HA ASP A 12 -4.181 9.109 7.410 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.289 7.265 5.814 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -6.004 7.055 6.106 1.00 1.00 H new ATOM 180 N PRO A 13 -6.284 10.568 7.327 1.00 1.00 N ATOM 181 CA PRO A 13 -7.421 11.448 7.535 1.00 1.00 C ATOM 182 C PRO A 13 -8.528 11.161 6.520 1.00 1.00 C ATOM 183 O PRO A 13 -9.252 12.069 6.112 1.00 1.00 O ATOM 184 CB PRO A 13 -6.857 12.854 7.419 1.00 1.00 C ATOM 185 CG PRO A 13 -5.529 12.712 6.693 1.00 1.00 C ATOM 186 CD PRO A 13 -5.149 11.240 6.699 1.00 1.00 C ATOM 0 HA PRO A 13 -7.894 11.303 8.506 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -7.537 13.503 6.867 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -6.718 13.302 8.403 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -5.612 13.081 5.671 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -4.759 13.307 7.185 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -4.980 10.870 5.688 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -4.229 11.071 7.258 1.00 1.00 H new ATOM 194 N LYS A 14 -8.627 9.895 6.139 1.00 1.00 N ATOM 195 CA LYS A 14 -9.633 9.479 5.179 1.00 1.00 C ATOM 196 C LYS A 14 -9.268 8.098 4.630 1.00 1.00 C ATOM 197 O LYS A 14 -8.466 7.987 3.704 1.00 1.00 O ATOM 198 CB LYS A 14 -9.814 10.543 4.095 1.00 1.00 C ATOM 199 CG LYS A 14 -11.144 11.280 4.266 1.00 1.00 C ATOM 200 CD LYS A 14 -11.771 11.601 2.907 1.00 1.00 C ATOM 201 CE LYS A 14 -13.299 11.578 2.990 1.00 1.00 C ATOM 202 NZ LYS A 14 -13.889 11.458 1.639 1.00 1.00 N ATOM 0 H LYS A 14 -8.026 9.144 6.479 1.00 1.00 H new ATOM 0 HA LYS A 14 -10.605 9.384 5.664 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -8.991 11.256 4.139 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.777 10.075 3.111 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -11.830 10.668 4.852 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.984 12.203 4.824 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -11.436 12.582 2.570 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -11.432 10.877 2.166 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -13.623 10.742 3.610 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -13.657 12.489 3.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -14.926 11.444 1.713 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -13.594 12.269 1.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -13.562 10.577 1.194 1.00 1.00 H new ATOM 216 N ASN A 15 -9.873 7.080 5.225 1.00 1.00 N ATOM 217 CA ASN A 15 -9.621 5.712 4.807 1.00 1.00 C ATOM 218 C ASN A 15 -10.764 5.240 3.907 1.00 1.00 C ATOM 219 O ASN A 15 -10.661 4.198 3.261 1.00 1.00 O ATOM 220 CB ASN A 15 -9.549 4.772 6.012 1.00 1.00 C ATOM 221 CG ASN A 15 -8.096 4.473 6.388 1.00 1.00 C ATOM 222 OD1 ASN A 15 -7.589 3.383 6.188 1.00 1.00 O ATOM 223 ND2 ASN A 15 -7.459 5.499 6.944 1.00 1.00 N ATOM 0 H ASN A 15 -10.537 7.176 5.993 1.00 1.00 H new ATOM 0 HA ASN A 15 -8.669 5.691 4.276 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -10.063 5.223 6.861 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -10.068 3.841 5.783 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -6.485 5.400 7.232 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -7.944 6.386 7.083 1.00 1.00 H new ATOM 230 N ARG A 16 -11.828 6.028 3.893 1.00 1.00 N ATOM 231 CA ARG A 16 -12.990 5.703 3.084 1.00 1.00 C ATOM 232 C ARG A 16 -13.327 4.217 3.210 1.00 1.00 C ATOM 233 O ARG A 16 -13.957 3.799 4.181 1.00 1.00 O ATOM 234 CB ARG A 16 -12.746 6.040 1.611 1.00 1.00 C ATOM 235 CG ARG A 16 -12.762 7.553 1.385 1.00 1.00 C ATOM 236 CD ARG A 16 -12.388 7.895 -0.059 1.00 1.00 C ATOM 237 NE ARG A 16 -11.356 6.955 -0.552 1.00 1.00 N ATOM 238 CZ ARG A 16 -11.627 5.762 -1.099 1.00 1.00 C ATOM 239 NH1 ARG A 16 -12.897 5.357 -1.227 1.00 1.00 N ATOM 240 NH2 ARG A 16 -10.627 4.975 -1.519 1.00 1.00 N ATOM 0 H ARG A 16 -11.910 6.892 4.429 1.00 1.00 H new ATOM 0 HA ARG A 16 -13.826 6.300 3.449 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -11.786 5.632 1.295 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -13.511 5.568 0.995 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -13.752 7.948 1.611 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -12.063 8.034 2.069 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -13.272 7.843 -0.694 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -12.016 8.918 -0.114 1.00 1.00 H new ATOM 0 HE ARG A 16 -10.378 7.233 -0.470 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -13.658 5.957 -0.908 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -13.103 4.449 -1.643 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -9.660 5.284 -1.422 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -10.833 4.067 -1.935 1.00 1.00 H new ATOM 254 N VAL A 17 -12.892 3.457 2.215 1.00 1.00 N ATOM 255 CA VAL A 17 -13.140 2.025 2.204 1.00 1.00 C ATOM 256 C VAL A 17 -13.244 1.518 3.644 1.00 1.00 C ATOM 257 O VAL A 17 -12.429 1.877 4.492 1.00 1.00 O ATOM 258 CB VAL A 17 -12.053 1.312 1.396 1.00 1.00 C ATOM 259 CG1 VAL A 17 -12.446 -0.138 1.108 1.00 1.00 C ATOM 260 CG2 VAL A 17 -11.750 2.067 0.100 1.00 1.00 C ATOM 0 H VAL A 17 -12.370 3.806 1.411 1.00 1.00 H new ATOM 0 HA VAL A 17 -14.088 1.806 1.713 1.00 1.00 H new ATOM 0 HB VAL A 17 -11.143 1.299 1.996 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -11.656 -0.622 0.533 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -12.588 -0.670 2.049 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -13.374 -0.157 0.537 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -10.974 1.540 -0.455 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -12.654 2.126 -0.506 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -11.406 3.074 0.337 1.00 1.00 H new ATOM 270 N ASN A 18 -14.254 0.692 3.875 1.00 1.00 N ATOM 271 CA ASN A 18 -14.475 0.132 5.197 1.00 1.00 C ATOM 272 C ASN A 18 -14.002 -1.324 5.216 1.00 1.00 C ATOM 273 O ASN A 18 -13.893 -1.958 4.168 1.00 1.00 O ATOM 274 CB ASN A 18 -15.960 0.151 5.562 1.00 1.00 C ATOM 275 CG ASN A 18 -16.438 1.578 5.840 1.00 1.00 C ATOM 276 OD1 ASN A 18 -16.432 2.055 6.962 1.00 1.00 O ATOM 277 ND2 ASN A 18 -16.852 2.229 4.757 1.00 1.00 N ATOM 0 H ASN A 18 -14.928 0.397 3.169 1.00 1.00 H new ATOM 0 HA ASN A 18 -13.919 0.735 5.915 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -16.544 -0.280 4.749 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -16.130 -0.471 6.441 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -17.191 3.188 4.837 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -16.830 1.770 3.846 1.00 1.00 H new ATOM 284 N CYS A 19 -13.734 -1.810 6.419 1.00 1.00 N ATOM 285 CA CYS A 19 -13.276 -3.178 6.587 1.00 1.00 C ATOM 286 C CYS A 19 -14.109 -3.831 7.692 1.00 1.00 C ATOM 287 O CYS A 19 -13.562 -4.322 8.679 1.00 1.00 O ATOM 288 CB CYS A 19 -11.777 -3.239 6.891 1.00 1.00 C ATOM 289 SG CYS A 19 -10.963 -4.810 6.423 1.00 1.00 S ATOM 0 H CYS A 19 -13.825 -1.281 7.286 1.00 1.00 H new ATOM 0 HA CYS A 19 -13.414 -3.728 5.656 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -11.281 -2.420 6.370 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -11.630 -3.074 7.958 1.00 1.00 H new ATOM 294 N GLY A 20 -15.417 -3.815 7.490 1.00 1.00 N ATOM 295 CA GLY A 20 -16.331 -4.399 8.457 1.00 1.00 C ATOM 296 C GLY A 20 -17.778 -4.314 7.966 1.00 1.00 C ATOM 297 O GLY A 20 -18.044 -4.483 6.776 1.00 1.00 O ATOM 0 H GLY A 20 -15.867 -3.407 6.671 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -16.063 -5.441 8.632 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -16.236 -3.881 9.411 1.00 1.00 H new ATOM 301 N PHE A 21 -18.674 -4.053 8.905 1.00 1.00 N ATOM 302 CA PHE A 21 -20.087 -3.943 8.583 1.00 1.00 C ATOM 303 C PHE A 21 -20.732 -2.777 9.333 1.00 1.00 C ATOM 304 O PHE A 21 -20.163 -2.263 10.295 1.00 1.00 O ATOM 305 CB PHE A 21 -20.749 -5.250 9.027 1.00 1.00 C ATOM 306 CG PHE A 21 -20.158 -5.844 10.307 1.00 1.00 C ATOM 307 CD1 PHE A 21 -18.881 -6.310 10.313 1.00 1.00 C ATOM 308 CD2 PHE A 21 -20.910 -5.905 11.438 1.00 1.00 C ATOM 309 CE1 PHE A 21 -18.331 -6.861 11.501 1.00 1.00 C ATOM 310 CE2 PHE A 21 -20.360 -6.456 12.627 1.00 1.00 C ATOM 311 CZ PHE A 21 -19.083 -6.922 12.632 1.00 1.00 C ATOM 0 H PHE A 21 -18.449 -3.914 9.890 1.00 1.00 H new ATOM 0 HA PHE A 21 -20.213 -3.765 7.515 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -21.814 -5.073 9.179 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -20.659 -5.982 8.224 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -18.284 -6.261 9.414 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -21.925 -5.535 11.433 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -17.316 -7.231 11.506 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -20.956 -6.504 13.526 1.00 1.00 H new ATOM 0 HZ PHE A 21 -18.665 -7.341 13.535 1.00 1.00 H new ATOM 321 N PRO A 22 -21.942 -2.384 8.853 1.00 1.00 N ATOM 322 CA PRO A 22 -22.671 -1.287 9.469 1.00 1.00 C ATOM 323 C PRO A 22 -23.299 -1.722 10.795 1.00 1.00 C ATOM 324 O PRO A 22 -23.971 -0.932 11.455 1.00 1.00 O ATOM 325 CB PRO A 22 -23.701 -0.869 8.432 1.00 1.00 C ATOM 326 CG PRO A 22 -23.821 -2.038 7.468 1.00 1.00 C ATOM 327 CD PRO A 22 -22.646 -2.970 7.716 1.00 1.00 C ATOM 0 HA PRO A 22 -22.027 -0.448 9.732 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -24.660 -0.650 8.901 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -23.386 0.036 7.912 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -24.764 -2.563 7.621 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -23.817 -1.684 6.437 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -22.984 -3.982 7.938 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -22.000 -3.034 6.841 1.00 1.00 H new ATOM 335 N GLY A 23 -23.059 -2.977 11.143 1.00 1.00 N ATOM 336 CA GLY A 23 -23.594 -3.526 12.377 1.00 1.00 C ATOM 337 C GLY A 23 -22.468 -3.890 13.348 1.00 1.00 C ATOM 338 O GLY A 23 -22.683 -4.635 14.302 1.00 1.00 O ATOM 0 H GLY A 23 -22.501 -3.630 10.592 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -24.261 -2.801 12.843 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.190 -4.412 12.157 1.00 1.00 H new ATOM 342 N ILE A 24 -21.291 -3.347 13.069 1.00 1.00 N ATOM 343 CA ILE A 24 -20.131 -3.605 13.906 1.00 1.00 C ATOM 344 C ILE A 24 -20.256 -2.805 15.204 1.00 1.00 C ATOM 345 O ILE A 24 -21.174 -1.999 15.355 1.00 1.00 O ATOM 346 CB ILE A 24 -18.841 -3.326 13.133 1.00 1.00 C ATOM 347 CG1 ILE A 24 -17.702 -4.221 13.627 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.473 -1.843 13.196 1.00 1.00 C ATOM 349 CD1 ILE A 24 -16.600 -4.338 12.572 1.00 1.00 C ATOM 0 H ILE A 24 -21.116 -2.730 12.276 1.00 1.00 H new ATOM 0 HA ILE A 24 -20.088 -4.658 14.184 1.00 1.00 H new ATOM 0 HB ILE A 24 -19.012 -3.570 12.085 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -17.287 -3.812 14.548 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -18.090 -5.212 13.864 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.552 -1.673 12.638 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.277 -1.250 12.759 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.328 -1.548 14.235 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -15.803 -4.979 12.948 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -17.013 -4.770 11.660 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -16.198 -3.349 12.355 1.00 1.00 H new ATOM 361 N THR A 25 -19.320 -3.054 16.108 1.00 1.00 N ATOM 362 CA THR A 25 -19.313 -2.366 17.387 1.00 1.00 C ATOM 363 C THR A 25 -17.918 -1.817 17.691 1.00 1.00 C ATOM 364 O THR A 25 -17.746 -0.613 17.870 1.00 1.00 O ATOM 365 CB THR A 25 -19.827 -3.340 18.450 1.00 1.00 C ATOM 366 OG1 THR A 25 -18.709 -4.181 18.720 1.00 1.00 O ATOM 367 CG2 THR A 25 -20.889 -4.296 17.903 1.00 1.00 C ATOM 0 H THR A 25 -18.561 -3.723 15.980 1.00 1.00 H new ATOM 0 HA THR A 25 -19.973 -1.499 17.372 1.00 1.00 H new ATOM 0 HB THR A 25 -20.241 -2.778 19.287 1.00 1.00 H new ATOM 0 HG1 THR A 25 -18.954 -4.842 19.401 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.220 -4.965 18.697 1.00 1.00 H new ATOM 0 HG22 THR A 25 -21.739 -3.723 17.534 1.00 1.00 H new ATOM 0 HG23 THR A 25 -20.465 -4.882 17.087 1.00 1.00 H new ATOM 375 N SER A 26 -16.956 -2.727 17.739 1.00 1.00 N ATOM 376 CA SER A 26 -15.581 -2.349 18.018 1.00 1.00 C ATOM 377 C SER A 26 -14.699 -3.597 18.085 1.00 1.00 C ATOM 378 O SER A 26 -13.886 -3.837 17.194 1.00 1.00 O ATOM 379 CB SER A 26 -15.481 -1.557 19.323 1.00 1.00 C ATOM 380 OG SER A 26 -16.502 -1.921 20.247 1.00 1.00 O ATOM 0 H SER A 26 -17.102 -3.725 17.589 1.00 1.00 H new ATOM 0 HA SER A 26 -15.232 -1.708 17.209 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.504 -1.727 19.776 1.00 1.00 H new ATOM 0 HB3 SER A 26 -15.551 -0.491 19.107 1.00 1.00 H new ATOM 0 HG SER A 26 -16.403 -1.395 21.068 1.00 1.00 H new ATOM 386 N ASP A 27 -14.889 -4.360 19.151 1.00 1.00 N ATOM 387 CA ASP A 27 -14.121 -5.578 19.348 1.00 1.00 C ATOM 388 C ASP A 27 -13.968 -6.302 18.008 1.00 1.00 C ATOM 389 O ASP A 27 -12.853 -6.499 17.528 1.00 1.00 O ATOM 390 CB ASP A 27 -14.828 -6.526 20.318 1.00 1.00 C ATOM 391 CG ASP A 27 -14.581 -6.236 21.800 1.00 1.00 C ATOM 392 OD1 ASP A 27 -14.710 -5.051 22.176 1.00 1.00 O ATOM 393 OD2 ASP A 27 -14.270 -7.207 22.523 1.00 1.00 O ATOM 0 H ASP A 27 -15.564 -4.158 19.888 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.150 -5.300 19.759 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -15.900 -6.482 20.128 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -14.508 -7.546 20.104 1.00 1.00 H new ATOM 398 N GLN A 28 -15.106 -6.675 17.441 1.00 1.00 N ATOM 399 CA GLN A 28 -15.113 -7.372 16.165 1.00 1.00 C ATOM 400 C GLN A 28 -14.383 -6.546 15.106 1.00 1.00 C ATOM 401 O GLN A 28 -13.872 -7.094 14.130 1.00 1.00 O ATOM 402 CB GLN A 28 -16.542 -7.692 15.724 1.00 1.00 C ATOM 403 CG GLN A 28 -17.212 -8.665 16.695 1.00 1.00 C ATOM 404 CD GLN A 28 -16.535 -10.036 16.652 1.00 1.00 C ATOM 405 OE1 GLN A 28 -16.628 -10.773 15.685 1.00 1.00 O ATOM 406 NE2 GLN A 28 -15.851 -10.335 17.753 1.00 1.00 N ATOM 0 H GLN A 28 -16.029 -6.508 17.841 1.00 1.00 H new ATOM 0 HA GLN A 28 -14.585 -8.318 16.286 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -17.123 -6.772 15.667 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -16.529 -8.123 14.723 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -17.165 -8.264 17.707 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -18.267 -8.768 16.442 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -15.814 -9.671 18.527 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -15.363 -11.228 17.824 1.00 1.00 H new ATOM 415 N CYS A 29 -14.356 -5.242 15.332 1.00 1.00 N ATOM 416 CA CYS A 29 -13.696 -4.334 14.408 1.00 1.00 C ATOM 417 C CYS A 29 -12.264 -4.109 14.897 1.00 1.00 C ATOM 418 O CYS A 29 -11.508 -3.354 14.288 1.00 1.00 O ATOM 419 CB CYS A 29 -14.464 -3.018 14.264 1.00 1.00 C ATOM 420 SG CYS A 29 -14.238 -2.172 12.657 1.00 1.00 S ATOM 0 H CYS A 29 -14.781 -4.791 16.142 1.00 1.00 H new ATOM 0 HA CYS A 29 -13.673 -4.776 13.412 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -15.526 -3.215 14.409 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.153 -2.343 15.061 1.00 1.00 H new ATOM 425 N PHE A 30 -11.934 -4.778 15.992 1.00 1.00 N ATOM 426 CA PHE A 30 -10.605 -4.660 16.569 1.00 1.00 C ATOM 427 C PHE A 30 -10.080 -6.026 17.019 1.00 1.00 C ATOM 428 O PHE A 30 -9.341 -6.118 17.998 1.00 1.00 O ATOM 429 CB PHE A 30 -10.728 -3.747 17.790 1.00 1.00 C ATOM 430 CG PHE A 30 -10.429 -2.275 17.498 1.00 1.00 C ATOM 431 CD1 PHE A 30 -9.448 -1.941 16.615 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.144 -1.299 18.120 1.00 1.00 C ATOM 433 CE1 PHE A 30 -9.171 -0.576 16.345 1.00 1.00 C ATOM 434 CE2 PHE A 30 -10.866 0.067 17.848 1.00 1.00 C ATOM 435 CZ PHE A 30 -9.886 0.400 16.967 1.00 1.00 C ATOM 0 H PHE A 30 -12.564 -5.403 16.495 1.00 1.00 H new ATOM 0 HA PHE A 30 -9.912 -4.260 15.829 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -11.738 -3.829 18.192 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.047 -4.099 18.564 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -8.881 -2.715 16.120 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -11.923 -1.563 18.820 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -8.392 -0.312 15.645 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -11.434 0.842 18.342 1.00 1.00 H new ATOM 0 HZ PHE A 30 -9.675 1.439 16.761 1.00 1.00 H new ATOM 445 N THR A 31 -10.483 -7.050 16.283 1.00 1.00 N ATOM 446 CA THR A 31 -10.062 -8.406 16.594 1.00 1.00 C ATOM 447 C THR A 31 -9.688 -9.155 15.314 1.00 1.00 C ATOM 448 O THR A 31 -8.655 -8.877 14.707 1.00 1.00 O ATOM 449 CB THR A 31 -11.185 -9.079 17.386 1.00 1.00 C ATOM 450 OG1 THR A 31 -11.228 -8.355 18.612 1.00 1.00 O ATOM 451 CG2 THR A 31 -10.829 -10.506 17.808 1.00 1.00 C ATOM 0 H THR A 31 -11.096 -6.969 15.472 1.00 1.00 H new ATOM 0 HA THR A 31 -9.163 -8.410 17.210 1.00 1.00 H new ATOM 0 HB THR A 31 -12.094 -9.094 16.785 1.00 1.00 H new ATOM 0 HG1 THR A 31 -11.819 -7.579 18.513 1.00 1.00 H new ATOM 0 HG21 THR A 31 -11.659 -10.938 18.367 1.00 1.00 H new ATOM 0 HG22 THR A 31 -10.635 -11.110 16.922 1.00 1.00 H new ATOM 0 HG23 THR A 31 -9.939 -10.488 18.437 1.00 1.00 H new ATOM 459 N SER A 32 -10.549 -10.091 14.940 1.00 1.00 N ATOM 460 CA SER A 32 -10.321 -10.883 13.743 1.00 1.00 C ATOM 461 C SER A 32 -11.035 -10.245 12.550 1.00 1.00 C ATOM 462 O SER A 32 -11.452 -10.942 11.626 1.00 1.00 O ATOM 463 CB SER A 32 -10.795 -12.324 13.938 1.00 1.00 C ATOM 464 OG SER A 32 -9.930 -13.261 13.301 1.00 1.00 O ATOM 0 H SER A 32 -11.406 -10.318 15.445 1.00 1.00 H new ATOM 0 HA SER A 32 -9.249 -10.906 13.546 1.00 1.00 H new ATOM 0 HB2 SER A 32 -10.849 -12.547 15.004 1.00 1.00 H new ATOM 0 HB3 SER A 32 -11.803 -12.431 13.538 1.00 1.00 H new ATOM 0 HG SER A 32 -10.266 -14.170 13.450 1.00 1.00 H new ATOM 470 N GLY A 33 -11.156 -8.927 12.611 1.00 1.00 N ATOM 471 CA GLY A 33 -11.814 -8.186 11.546 1.00 1.00 C ATOM 472 C GLY A 33 -10.844 -7.212 10.876 1.00 1.00 C ATOM 473 O GLY A 33 -10.124 -7.584 9.951 1.00 1.00 O ATOM 0 H GLY A 33 -10.810 -8.353 13.380 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -12.208 -8.881 10.804 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -12.664 -7.637 11.951 1.00 1.00 H new ATOM 477 N CYS A 34 -10.857 -5.981 11.369 1.00 1.00 N ATOM 478 CA CYS A 34 -9.988 -4.950 10.830 1.00 1.00 C ATOM 479 C CYS A 34 -9.774 -3.889 11.911 1.00 1.00 C ATOM 480 O CYS A 34 -9.909 -4.174 13.100 1.00 1.00 O ATOM 481 CB CYS A 34 -10.557 -4.347 9.543 1.00 1.00 C ATOM 482 SG CYS A 34 -11.029 -5.570 8.267 1.00 1.00 S ATOM 0 H CYS A 34 -11.456 -5.676 12.136 1.00 1.00 H new ATOM 0 HA CYS A 34 -9.028 -5.387 10.556 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.433 -3.749 9.795 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -9.818 -3.667 9.119 1.00 1.00 H new ATOM 487 N CYS A 35 -9.442 -2.688 11.460 1.00 1.00 N ATOM 488 CA CYS A 35 -9.207 -1.583 12.373 1.00 1.00 C ATOM 489 C CYS A 35 -10.537 -0.863 12.608 1.00 1.00 C ATOM 490 O CYS A 35 -11.497 -1.070 11.868 1.00 1.00 O ATOM 491 CB CYS A 35 -8.129 -0.634 11.848 1.00 1.00 C ATOM 492 SG CYS A 35 -6.411 -1.151 12.205 1.00 1.00 S ATOM 0 H CYS A 35 -9.330 -2.456 10.473 1.00 1.00 H new ATOM 0 HA CYS A 35 -8.829 -1.966 13.321 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.247 -0.535 10.769 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.293 0.354 12.279 1.00 1.00 H new ATOM 497 N PHE A 36 -10.550 -0.033 13.641 1.00 1.00 N ATOM 498 CA PHE A 36 -11.746 0.719 13.982 1.00 1.00 C ATOM 499 C PHE A 36 -11.386 2.046 14.651 1.00 1.00 C ATOM 500 O PHE A 36 -11.437 2.163 15.874 1.00 1.00 O ATOM 501 CB PHE A 36 -12.545 -0.135 14.967 1.00 1.00 C ATOM 502 CG PHE A 36 -13.875 0.487 15.395 1.00 1.00 C ATOM 503 CD1 PHE A 36 -14.740 0.953 14.455 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.191 0.577 16.715 1.00 1.00 C ATOM 505 CE1 PHE A 36 -15.975 1.532 14.851 1.00 1.00 C ATOM 506 CE2 PHE A 36 -15.426 1.155 17.112 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.293 1.620 16.171 1.00 1.00 C ATOM 0 H PHE A 36 -9.751 0.135 14.253 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.317 0.941 13.080 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -12.740 -1.107 14.514 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -11.937 -0.313 15.854 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.488 0.883 13.407 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -13.503 0.209 17.461 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -16.662 1.902 14.104 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -15.677 1.226 18.160 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.233 2.059 16.472 1.00 1.00 H new ATOM 517 N ASP A 37 -11.030 3.014 13.818 1.00 1.00 N ATOM 518 CA ASP A 37 -10.662 4.330 14.314 1.00 1.00 C ATOM 519 C ASP A 37 -11.865 5.268 14.200 1.00 1.00 C ATOM 520 O ASP A 37 -12.117 5.834 13.137 1.00 1.00 O ATOM 521 CB ASP A 37 -9.517 4.927 13.493 1.00 1.00 C ATOM 522 CG ASP A 37 -9.235 6.407 13.758 1.00 1.00 C ATOM 523 OD1 ASP A 37 -8.412 6.676 14.660 1.00 1.00 O ATOM 524 OD2 ASP A 37 -9.849 7.237 13.053 1.00 1.00 O ATOM 0 H ASP A 37 -10.989 2.913 12.804 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.345 4.223 15.351 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -8.610 4.358 13.695 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -9.744 4.800 12.435 1.00 1.00 H new ATOM 529 N SER A 38 -12.577 5.404 15.309 1.00 1.00 N ATOM 530 CA SER A 38 -13.747 6.264 15.347 1.00 1.00 C ATOM 531 C SER A 38 -13.355 7.660 15.834 1.00 1.00 C ATOM 532 O SER A 38 -14.099 8.291 16.585 1.00 1.00 O ATOM 533 CB SER A 38 -14.835 5.675 16.245 1.00 1.00 C ATOM 534 OG SER A 38 -14.715 4.260 16.371 1.00 1.00 O ATOM 0 H SER A 38 -12.366 4.933 16.188 1.00 1.00 H new ATOM 0 HA SER A 38 -14.149 6.338 14.337 1.00 1.00 H new ATOM 0 HB2 SER A 38 -14.778 6.133 17.232 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.815 5.921 15.836 1.00 1.00 H new ATOM 0 HG SER A 38 -15.541 3.833 16.061 1.00 1.00 H new ATOM 540 N GLN A 39 -12.189 8.102 15.388 1.00 1.00 N ATOM 541 CA GLN A 39 -11.689 9.412 15.771 1.00 1.00 C ATOM 542 C GLN A 39 -12.397 10.506 14.966 1.00 1.00 C ATOM 543 O GLN A 39 -12.329 11.682 15.319 1.00 1.00 O ATOM 544 CB GLN A 39 -10.172 9.494 15.592 1.00 1.00 C ATOM 545 CG GLN A 39 -9.445 8.803 16.746 1.00 1.00 C ATOM 546 CD GLN A 39 -8.166 9.554 17.117 1.00 1.00 C ATOM 547 OE1 GLN A 39 -7.982 9.696 18.428 1.00 1.00 O flip ATOM 548 NE2 GLN A 39 -7.395 9.977 16.271 1.00 1.00 N flip ATOM 0 H GLN A 39 -11.576 7.577 14.765 1.00 1.00 H new ATOM 0 HA GLN A 39 -11.905 9.568 16.828 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -9.888 9.029 14.648 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -9.865 10.538 15.537 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.103 8.747 17.613 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -9.201 7.779 16.465 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -7.596 9.834 15.281 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -6.550 10.473 16.554 1.00 1.00 H new ATOM 557 N VAL A 40 -13.057 10.078 13.900 1.00 1.00 N ATOM 558 CA VAL A 40 -13.775 11.005 13.043 1.00 1.00 C ATOM 559 C VAL A 40 -15.169 10.447 12.750 1.00 1.00 C ATOM 560 O VAL A 40 -15.308 9.458 12.033 1.00 1.00 O ATOM 561 CB VAL A 40 -12.964 11.282 11.775 1.00 1.00 C ATOM 562 CG1 VAL A 40 -13.842 11.904 10.688 1.00 1.00 C ATOM 563 CG2 VAL A 40 -11.756 12.171 12.080 1.00 1.00 C ATOM 0 H VAL A 40 -13.109 9.101 13.610 1.00 1.00 H new ATOM 0 HA VAL A 40 -13.907 11.964 13.544 1.00 1.00 H new ATOM 0 HB VAL A 40 -12.592 10.329 11.400 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -13.241 12.091 9.798 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -14.654 11.220 10.441 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -14.257 12.845 11.050 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -11.197 12.352 11.162 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -12.098 13.121 12.491 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -11.112 11.673 12.805 1.00 1.00 H new ATOM 573 N PRO A 41 -16.193 11.124 13.336 1.00 1.00 N ATOM 574 CA PRO A 41 -17.571 10.706 13.146 1.00 1.00 C ATOM 575 C PRO A 41 -18.072 11.087 11.751 1.00 1.00 C ATOM 576 O PRO A 41 -19.247 10.897 11.435 1.00 1.00 O ATOM 577 CB PRO A 41 -18.347 11.387 14.261 1.00 1.00 C ATOM 578 CG PRO A 41 -17.462 12.523 14.751 1.00 1.00 C ATOM 579 CD PRO A 41 -16.067 12.299 14.193 1.00 1.00 C ATOM 0 HA PRO A 41 -17.693 9.624 13.198 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -19.302 11.765 13.897 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -18.567 10.688 15.067 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -17.856 13.484 14.420 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -17.438 12.546 15.840 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -15.723 13.166 13.628 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -15.344 12.131 14.991 1.00 1.00 H new ATOM 587 N GLY A 42 -17.157 11.617 10.953 1.00 1.00 N ATOM 588 CA GLY A 42 -17.491 12.027 9.600 1.00 1.00 C ATOM 589 C GLY A 42 -16.805 11.125 8.570 1.00 1.00 C ATOM 590 O GLY A 42 -16.907 11.364 7.367 1.00 1.00 O ATOM 0 H GLY A 42 -16.184 11.772 11.218 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -18.571 11.989 9.460 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -17.186 13.062 9.444 1.00 1.00 H new ATOM 594 N VAL A 43 -16.123 10.112 9.079 1.00 1.00 N ATOM 595 CA VAL A 43 -15.421 9.174 8.219 1.00 1.00 C ATOM 596 C VAL A 43 -15.649 7.751 8.730 1.00 1.00 C ATOM 597 O VAL A 43 -16.204 7.555 9.809 1.00 1.00 O ATOM 598 CB VAL A 43 -13.939 9.549 8.136 1.00 1.00 C ATOM 599 CG1 VAL A 43 -13.769 11.042 7.846 1.00 1.00 C ATOM 600 CG2 VAL A 43 -13.200 9.150 9.414 1.00 1.00 C ATOM 0 H VAL A 43 -16.041 9.919 10.077 1.00 1.00 H new ATOM 0 HA VAL A 43 -15.813 9.221 7.203 1.00 1.00 H new ATOM 0 HB VAL A 43 -13.497 8.994 7.308 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -12.707 11.284 7.792 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -14.245 11.285 6.896 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -14.233 11.623 8.643 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -12.149 9.428 9.329 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -13.643 9.665 10.266 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -13.280 8.073 9.559 1.00 1.00 H new ATOM 610 N PRO A 44 -15.197 6.766 7.908 1.00 1.00 N ATOM 611 CA PRO A 44 -15.346 5.365 8.265 1.00 1.00 C ATOM 612 C PRO A 44 -14.344 4.966 9.351 1.00 1.00 C ATOM 613 O PRO A 44 -13.136 5.105 9.166 1.00 1.00 O ATOM 614 CB PRO A 44 -15.147 4.604 6.965 1.00 1.00 C ATOM 615 CG PRO A 44 -14.437 5.564 6.024 1.00 1.00 C ATOM 616 CD PRO A 44 -14.535 6.959 6.621 1.00 1.00 C ATOM 0 HA PRO A 44 -16.322 5.143 8.696 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.553 3.704 7.126 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -16.103 4.285 6.549 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -13.394 5.275 5.899 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.895 5.539 5.035 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -13.549 7.406 6.746 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -15.108 7.626 5.977 1.00 1.00 H new ATOM 624 N TRP A 45 -14.883 4.478 10.458 1.00 1.00 N ATOM 625 CA TRP A 45 -14.051 4.059 11.573 1.00 1.00 C ATOM 626 C TRP A 45 -13.546 2.645 11.280 1.00 1.00 C ATOM 627 O TRP A 45 -12.383 2.333 11.530 1.00 1.00 O ATOM 628 CB TRP A 45 -14.816 4.158 12.895 1.00 1.00 C ATOM 629 CG TRP A 45 -15.745 5.370 12.987 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.674 6.518 12.300 1.00 1.00 C ATOM 631 CD2 TRP A 45 -16.896 5.508 13.846 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.691 7.383 12.653 1.00 1.00 N ATOM 633 CE2 TRP A 45 -17.457 6.748 13.623 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.444 4.613 14.782 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -18.595 7.208 14.296 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -18.582 5.086 15.447 1.00 1.00 C ATOM 637 CH2 TRP A 45 -19.159 6.334 15.234 1.00 1.00 C ATOM 0 H TRP A 45 -15.886 4.363 10.607 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.192 4.720 11.683 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -15.405 3.251 13.031 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.099 4.199 13.715 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -14.916 6.739 11.563 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -16.850 8.316 12.272 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.021 3.638 14.973 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -19.015 8.184 14.102 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.044 4.437 16.176 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -20.038 6.627 15.789 1.00 1.00 H new ATOM 648 N CYS A 46 -14.445 1.826 10.753 1.00 1.00 N ATOM 649 CA CYS A 46 -14.105 0.453 10.423 1.00 1.00 C ATOM 650 C CYS A 46 -13.494 0.432 9.021 1.00 1.00 C ATOM 651 O CYS A 46 -14.197 0.630 8.031 1.00 1.00 O ATOM 652 CB CYS A 46 -15.320 -0.473 10.530 1.00 1.00 C ATOM 653 SG CYS A 46 -15.738 -0.997 12.233 1.00 1.00 S ATOM 0 H CYS A 46 -15.409 2.088 10.546 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.377 0.074 11.141 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.184 0.033 10.098 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.136 -1.362 9.926 1.00 1.00 H new ATOM 658 N PHE A 47 -12.192 0.194 8.982 1.00 1.00 N ATOM 659 CA PHE A 47 -11.478 0.145 7.717 1.00 1.00 C ATOM 660 C PHE A 47 -10.292 -0.818 7.792 1.00 1.00 C ATOM 661 O PHE A 47 -10.140 -1.545 8.774 1.00 1.00 O ATOM 662 CB PHE A 47 -10.955 1.557 7.444 1.00 1.00 C ATOM 663 CG PHE A 47 -10.216 2.187 8.627 1.00 1.00 C ATOM 664 CD1 PHE A 47 -9.209 1.507 9.240 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.567 3.425 9.067 1.00 1.00 C ATOM 666 CE1 PHE A 47 -8.524 2.091 10.338 1.00 1.00 C ATOM 667 CE2 PHE A 47 -9.882 4.009 10.165 1.00 1.00 C ATOM 668 CZ PHE A 47 -8.874 3.329 10.778 1.00 1.00 C ATOM 0 H PHE A 47 -11.612 0.033 9.806 1.00 1.00 H new ATOM 0 HA PHE A 47 -12.145 -0.203 6.928 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -10.284 1.525 6.585 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -11.794 2.197 7.170 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.931 0.523 8.891 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.367 3.964 8.581 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -7.724 1.552 10.824 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.160 4.992 10.514 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.353 3.773 11.613 1.00 1.00 H new ATOM 678 N LYS A 48 -9.484 -0.796 6.743 1.00 1.00 N ATOM 679 CA LYS A 48 -8.317 -1.658 6.679 1.00 1.00 C ATOM 680 C LYS A 48 -7.118 -0.938 7.300 1.00 1.00 C ATOM 681 O LYS A 48 -7.068 0.291 7.311 1.00 1.00 O ATOM 682 CB LYS A 48 -8.075 -2.127 5.242 1.00 1.00 C ATOM 683 CG LYS A 48 -9.172 -1.614 4.306 1.00 1.00 C ATOM 684 CD LYS A 48 -8.904 -0.167 3.888 1.00 1.00 C ATOM 685 CE LYS A 48 -8.329 -0.104 2.471 1.00 1.00 C ATOM 686 NZ LYS A 48 -7.574 1.153 2.273 1.00 1.00 N ATOM 0 H LYS A 48 -9.615 -0.194 5.930 1.00 1.00 H new ATOM 0 HA LYS A 48 -8.482 -2.563 7.263 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.103 -1.772 4.898 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -8.046 -3.216 5.211 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.226 -2.248 3.421 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.140 -1.679 4.804 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -9.830 0.406 3.935 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -8.208 0.295 4.588 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -7.675 -0.959 2.299 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -9.136 -0.169 1.741 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -7.191 1.179 1.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -8.208 1.965 2.416 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -6.792 1.200 2.957 1.00 1.00 H new ATOM 700 N PRO A 49 -6.161 -1.754 7.814 1.00 1.00 N ATOM 701 CA PRO A 49 -4.967 -1.207 8.436 1.00 1.00 C ATOM 702 C PRO A 49 -3.995 -0.673 7.382 1.00 1.00 C ATOM 703 O PRO A 49 -4.371 -0.480 6.226 1.00 1.00 O ATOM 704 CB PRO A 49 -4.388 -2.352 9.252 1.00 1.00 C ATOM 705 CG PRO A 49 -5.012 -3.620 8.692 1.00 1.00 C ATOM 706 CD PRO A 49 -6.188 -3.214 7.818 1.00 1.00 C ATOM 0 HA PRO A 49 -5.181 -0.349 9.074 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -3.302 -2.381 9.168 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -4.623 -2.235 10.310 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -4.280 -4.181 8.111 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -5.344 -4.271 9.500 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -6.088 -3.615 6.809 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -7.128 -3.591 8.219 1.00 1.00 H new ATOM 714 N LEU A 50 -2.764 -0.451 7.817 1.00 1.00 N ATOM 715 CA LEU A 50 -1.734 0.056 6.924 1.00 1.00 C ATOM 716 C LEU A 50 -0.467 -0.786 7.084 1.00 1.00 C ATOM 717 O LEU A 50 0.606 -0.253 7.362 1.00 1.00 O ATOM 718 CB LEU A 50 -1.513 1.552 7.159 1.00 1.00 C ATOM 719 CG LEU A 50 -0.854 1.933 8.486 1.00 1.00 C ATOM 720 CD1 LEU A 50 0.606 2.342 8.276 1.00 1.00 C ATOM 721 CD2 LEU A 50 -1.656 3.019 9.204 1.00 1.00 C ATOM 0 H LEU A 50 -2.456 -0.613 8.776 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.049 -0.038 5.885 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -0.899 1.940 6.347 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.478 2.055 7.098 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.852 1.055 9.131 1.00 1.00 H new ATOM 0 HD11 LEU A 50 1.051 2.608 9.235 1.00 1.00 H new ATOM 0 HD12 LEU A 50 1.158 1.510 7.838 1.00 1.00 H new ATOM 0 HD13 LEU A 50 0.651 3.200 7.605 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.166 3.271 10.144 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.712 3.907 8.574 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.663 2.654 9.406 1.00 1.00 H new ATOM 733 N PRO A 51 -0.638 -2.121 6.895 1.00 1.00 N ATOM 734 CA PRO A 51 0.479 -3.043 7.015 1.00 1.00 C ATOM 735 C PRO A 51 1.398 -2.953 5.794 1.00 1.00 C ATOM 736 O PRO A 51 1.174 -2.135 4.904 1.00 1.00 O ATOM 737 CB PRO A 51 -0.156 -4.414 7.181 1.00 1.00 C ATOM 738 CG PRO A 51 -1.586 -4.272 6.684 1.00 1.00 C ATOM 739 CD PRO A 51 -1.894 -2.789 6.565 1.00 1.00 C ATOM 0 HA PRO A 51 1.124 -2.813 7.863 1.00 1.00 H new ATOM 0 HB2 PRO A 51 0.384 -5.167 6.607 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -0.134 -4.731 8.224 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -1.705 -4.765 5.719 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -2.279 -4.751 7.375 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -2.226 -2.533 5.559 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -2.691 -2.494 7.248 1.00 1.00 H new ATOM 747 N ALA A 52 2.411 -3.807 5.792 1.00 1.00 N ATOM 748 CA ALA A 52 3.364 -3.833 4.696 1.00 1.00 C ATOM 749 C ALA A 52 4.353 -4.980 4.913 1.00 1.00 C ATOM 750 O ALA A 52 5.418 -4.783 5.497 1.00 1.00 O ATOM 751 CB ALA A 52 4.060 -2.476 4.589 1.00 1.00 C ATOM 0 H ALA A 52 2.592 -4.486 6.532 1.00 1.00 H new ATOM 0 HA ALA A 52 2.854 -4.011 3.750 1.00 1.00 H new ATOM 0 HB1 ALA A 52 4.775 -2.497 3.766 1.00 1.00 H new ATOM 0 HB2 ALA A 52 3.317 -1.700 4.404 1.00 1.00 H new ATOM 0 HB3 ALA A 52 4.585 -2.262 5.520 1.00 1.00 H new ATOM 757 N GLN A 53 3.967 -6.153 4.432 1.00 1.00 N ATOM 758 CA GLN A 53 4.807 -7.330 4.567 1.00 1.00 C ATOM 759 C GLN A 53 3.944 -8.593 4.628 1.00 1.00 C ATOM 760 O GLN A 53 2.719 -8.509 4.694 1.00 1.00 O ATOM 761 CB GLN A 53 5.708 -7.222 5.799 1.00 1.00 C ATOM 762 CG GLN A 53 7.055 -6.593 5.438 1.00 1.00 C ATOM 763 CD GLN A 53 8.174 -7.637 5.470 1.00 1.00 C ATOM 764 OE1 GLN A 53 8.952 -7.779 4.541 1.00 1.00 O ATOM 765 NE2 GLN A 53 8.212 -8.355 6.588 1.00 1.00 N ATOM 0 H GLN A 53 3.083 -6.313 3.948 1.00 1.00 H new ATOM 0 HA GLN A 53 5.452 -7.395 3.691 1.00 1.00 H new ATOM 0 HB2 GLN A 53 5.215 -6.621 6.563 1.00 1.00 H new ATOM 0 HB3 GLN A 53 5.867 -8.212 6.226 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.998 -6.147 4.445 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.284 -5.788 6.137 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.530 -8.184 7.327 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.923 -9.076 6.707 1.00 1.00 H new ATOM 774 N GLU A 54 4.619 -9.734 4.603 1.00 1.00 N ATOM 775 CA GLU A 54 3.929 -11.012 4.655 1.00 1.00 C ATOM 776 C GLU A 54 3.506 -11.329 6.091 1.00 1.00 C ATOM 777 O GLU A 54 3.049 -12.434 6.377 1.00 1.00 O ATOM 778 CB GLU A 54 4.803 -12.129 4.081 1.00 1.00 C ATOM 779 CG GLU A 54 3.987 -13.051 3.173 1.00 1.00 C ATOM 780 CD GLU A 54 4.828 -14.240 2.701 1.00 1.00 C ATOM 781 OE1 GLU A 54 5.888 -13.978 2.094 1.00 1.00 O ATOM 782 OE2 GLU A 54 4.390 -15.382 2.958 1.00 1.00 O ATOM 0 H GLU A 54 5.635 -9.800 4.547 1.00 1.00 H new ATOM 0 HA GLU A 54 3.032 -10.945 4.040 1.00 1.00 H new ATOM 0 HB2 GLU A 54 5.629 -11.696 3.517 1.00 1.00 H new ATOM 0 HB3 GLU A 54 5.241 -12.708 4.894 1.00 1.00 H new ATOM 0 HG2 GLU A 54 3.109 -13.412 3.709 1.00 1.00 H new ATOM 0 HG3 GLU A 54 3.626 -12.491 2.310 1.00 1.00 H new ATOM 789 N SER A 55 3.674 -10.339 6.956 1.00 1.00 N ATOM 790 CA SER A 55 3.315 -10.499 8.355 1.00 1.00 C ATOM 791 C SER A 55 2.770 -9.181 8.909 1.00 1.00 C ATOM 792 O SER A 55 2.915 -8.133 8.283 1.00 1.00 O ATOM 793 CB SER A 55 4.515 -10.966 9.181 1.00 1.00 C ATOM 794 OG SER A 55 4.696 -12.379 9.109 1.00 1.00 O ATOM 0 H SER A 55 4.054 -9.424 6.715 1.00 1.00 H new ATOM 0 HA SER A 55 2.541 -11.263 8.425 1.00 1.00 H new ATOM 0 HB2 SER A 55 5.416 -10.467 8.825 1.00 1.00 H new ATOM 0 HB3 SER A 55 4.376 -10.671 10.221 1.00 1.00 H new ATOM 0 HG SER A 55 4.274 -12.722 8.294 1.00 1.00 H new ATOM 800 N GLU A 56 2.154 -9.278 10.077 1.00 1.00 N ATOM 801 CA GLU A 56 1.586 -8.106 10.724 1.00 1.00 C ATOM 802 C GLU A 56 2.371 -7.769 11.993 1.00 1.00 C ATOM 803 O GLU A 56 2.222 -8.437 13.015 1.00 1.00 O ATOM 804 CB GLU A 56 0.103 -8.316 11.035 1.00 1.00 C ATOM 805 CG GLU A 56 -0.761 -8.025 9.806 1.00 1.00 C ATOM 806 CD GLU A 56 -2.211 -8.453 10.042 1.00 1.00 C ATOM 807 OE1 GLU A 56 -2.399 -9.421 10.811 1.00 1.00 O ATOM 808 OE2 GLU A 56 -3.098 -7.804 9.447 1.00 1.00 O ATOM 0 H GLU A 56 2.035 -10.150 10.593 1.00 1.00 H new ATOM 0 HA GLU A 56 1.663 -7.262 10.038 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -0.061 -9.342 11.365 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -0.196 -7.665 11.857 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -0.725 -6.960 9.576 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -0.359 -8.552 8.941 1.00 1.00 H new ATOM 815 N GLU A 57 3.188 -6.731 11.887 1.00 1.00 N ATOM 816 CA GLU A 57 3.995 -6.296 13.014 1.00 1.00 C ATOM 817 C GLU A 57 4.920 -5.152 12.594 1.00 1.00 C ATOM 818 O GLU A 57 5.346 -4.355 13.429 1.00 1.00 O ATOM 819 CB GLU A 57 4.795 -7.461 13.598 1.00 1.00 C ATOM 820 CG GLU A 57 5.108 -8.505 12.523 1.00 1.00 C ATOM 821 CD GLU A 57 6.272 -9.401 12.950 1.00 1.00 C ATOM 822 OE1 GLU A 57 7.361 -8.838 13.193 1.00 1.00 O ATOM 823 OE2 GLU A 57 6.045 -10.628 13.025 1.00 1.00 O ATOM 0 H GLU A 57 3.308 -6.179 11.038 1.00 1.00 H new ATOM 0 HA GLU A 57 3.327 -5.930 13.794 1.00 1.00 H new ATOM 0 HB2 GLU A 57 5.724 -7.089 14.030 1.00 1.00 H new ATOM 0 HB3 GLU A 57 4.231 -7.925 14.407 1.00 1.00 H new ATOM 0 HG2 GLU A 57 4.225 -9.115 12.336 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.354 -8.005 11.586 1.00 1.00 H new ATOM 830 N CYS A 58 5.202 -5.106 11.301 1.00 1.00 N ATOM 831 CA CYS A 58 6.070 -4.073 10.761 1.00 1.00 C ATOM 832 C CYS A 58 5.233 -2.810 10.543 1.00 1.00 C ATOM 833 O CYS A 58 5.730 -1.814 10.019 1.00 1.00 O ATOM 834 CB CYS A 58 6.760 -4.529 9.472 1.00 1.00 C ATOM 835 SG CYS A 58 7.963 -5.891 9.688 1.00 1.00 S ATOM 0 H CYS A 58 4.845 -5.767 10.611 1.00 1.00 H new ATOM 0 HA CYS A 58 6.871 -3.861 11.469 1.00 1.00 H new ATOM 0 HB2 CYS A 58 5.997 -4.846 8.760 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.274 -3.676 9.030 1.00 1.00 H new ATOM 840 N VAL A 59 3.977 -2.892 10.956 1.00 1.00 N ATOM 841 CA VAL A 59 3.067 -1.769 10.812 1.00 1.00 C ATOM 842 C VAL A 59 3.456 -0.672 11.806 1.00 1.00 C ATOM 843 O VAL A 59 3.554 -0.923 13.006 1.00 1.00 O ATOM 844 CB VAL A 59 1.622 -2.241 10.980 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.655 -1.328 10.224 1.00 1.00 C ATOM 846 CG2 VAL A 59 1.465 -3.695 10.531 1.00 1.00 C ATOM 0 H VAL A 59 3.568 -3.719 11.391 1.00 1.00 H new ATOM 0 HA VAL A 59 3.142 -1.343 9.811 1.00 1.00 H new ATOM 0 HB VAL A 59 1.374 -2.188 12.040 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -0.365 -1.686 10.360 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.737 -0.312 10.610 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.903 -1.334 9.163 1.00 1.00 H new ATOM 0 HG21 VAL A 59 0.428 -4.006 10.661 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.742 -3.783 9.480 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.113 -4.333 11.132 1.00 1.00 H new ATOM 856 N MET A 60 3.669 0.520 11.269 1.00 1.00 N ATOM 857 CA MET A 60 4.047 1.655 12.094 1.00 1.00 C ATOM 858 C MET A 60 3.847 2.971 11.339 1.00 1.00 C ATOM 859 O MET A 60 3.940 3.008 10.114 1.00 1.00 O ATOM 860 CB MET A 60 5.513 1.521 12.508 1.00 1.00 C ATOM 861 CG MET A 60 5.635 0.931 13.914 1.00 1.00 C ATOM 862 SD MET A 60 7.291 0.321 14.179 1.00 1.00 S ATOM 863 CE MET A 60 7.583 -0.478 12.610 1.00 1.00 C ATOM 0 H MET A 60 3.587 0.725 10.273 1.00 1.00 H new ATOM 0 HA MET A 60 3.411 1.665 12.979 1.00 1.00 H new ATOM 0 HB2 MET A 60 6.039 0.885 11.796 1.00 1.00 H new ATOM 0 HB3 MET A 60 5.994 2.499 12.477 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.395 1.691 14.658 1.00 1.00 H new ATOM 0 HG3 MET A 60 4.916 0.122 14.041 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.381 -1.212 12.719 1.00 1.00 H new ATOM 0 HE2 MET A 60 6.672 -0.978 12.281 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.874 0.268 11.870 1.00 1.00 H new ATOM 873 N GLN A 61 3.576 4.019 12.104 1.00 1.00 N ATOM 874 CA GLN A 61 3.363 5.334 11.523 1.00 1.00 C ATOM 875 C GLN A 61 4.683 5.905 11.002 1.00 1.00 C ATOM 876 O GLN A 61 5.753 5.380 11.306 1.00 1.00 O ATOM 877 CB GLN A 61 2.717 6.282 12.535 1.00 1.00 C ATOM 878 CG GLN A 61 1.507 5.627 13.206 1.00 1.00 C ATOM 879 CD GLN A 61 1.365 6.093 14.655 1.00 1.00 C ATOM 880 OE1 GLN A 61 0.470 6.845 15.008 1.00 1.00 O ATOM 881 NE2 GLN A 61 2.295 5.608 15.473 1.00 1.00 N ATOM 0 H GLN A 61 3.499 3.984 13.120 1.00 1.00 H new ATOM 0 HA GLN A 61 2.678 5.231 10.682 1.00 1.00 H new ATOM 0 HB2 GLN A 61 3.448 6.565 13.292 1.00 1.00 H new ATOM 0 HB3 GLN A 61 2.407 7.199 12.033 1.00 1.00 H new ATOM 0 HG2 GLN A 61 0.602 5.873 12.651 1.00 1.00 H new ATOM 0 HG3 GLN A 61 1.614 4.543 13.178 1.00 1.00 H new ATOM 0 HE21 GLN A 61 3.016 4.983 15.112 1.00 1.00 H new ATOM 0 HE22 GLN A 61 2.287 5.861 16.461 1.00 1.00 H new ATOM 890 N VAL A 62 4.564 6.972 10.227 1.00 1.00 N ATOM 891 CA VAL A 62 5.735 7.620 9.660 1.00 1.00 C ATOM 892 C VAL A 62 6.614 8.156 10.793 1.00 1.00 C ATOM 893 O VAL A 62 7.801 8.409 10.595 1.00 1.00 O ATOM 894 CB VAL A 62 5.305 8.706 8.672 1.00 1.00 C ATOM 895 CG1 VAL A 62 3.963 8.359 8.024 1.00 1.00 C ATOM 896 CG2 VAL A 62 5.247 10.075 9.354 1.00 1.00 C ATOM 0 H VAL A 62 3.675 7.405 9.978 1.00 1.00 H new ATOM 0 HA VAL A 62 6.332 6.904 9.095 1.00 1.00 H new ATOM 0 HB VAL A 62 6.055 8.756 7.882 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.681 9.148 7.326 1.00 1.00 H new ATOM 0 HG12 VAL A 62 4.052 7.414 7.487 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.199 8.267 8.796 1.00 1.00 H new ATOM 0 HG21 VAL A 62 4.939 10.829 8.630 1.00 1.00 H new ATOM 0 HG22 VAL A 62 4.529 10.043 10.173 1.00 1.00 H new ATOM 0 HG23 VAL A 62 6.232 10.329 9.745 1.00 1.00 H new ATOM 906 N SER A 63 5.996 8.312 11.955 1.00 1.00 N ATOM 907 CA SER A 63 6.708 8.812 13.118 1.00 1.00 C ATOM 908 C SER A 63 7.240 7.643 13.950 1.00 1.00 C ATOM 909 O SER A 63 8.095 7.829 14.814 1.00 1.00 O ATOM 910 CB SER A 63 5.806 9.705 13.974 1.00 1.00 C ATOM 911 OG SER A 63 6.528 10.343 15.023 1.00 1.00 O ATOM 0 H SER A 63 5.011 8.101 12.115 1.00 1.00 H new ATOM 0 HA SER A 63 7.548 9.414 12.771 1.00 1.00 H new ATOM 0 HB2 SER A 63 5.340 10.461 13.342 1.00 1.00 H new ATOM 0 HB3 SER A 63 5.001 9.106 14.400 1.00 1.00 H new ATOM 0 HG SER A 63 7.255 9.758 15.323 1.00 1.00 H new ATOM 917 N ALA A 64 6.711 6.463 13.659 1.00 1.00 N ATOM 918 CA ALA A 64 7.121 5.264 14.369 1.00 1.00 C ATOM 919 C ALA A 64 8.498 4.824 13.866 1.00 1.00 C ATOM 920 O ALA A 64 9.418 4.626 14.658 1.00 1.00 O ATOM 921 CB ALA A 64 6.061 4.176 14.189 1.00 1.00 C ATOM 0 H ALA A 64 6.002 6.312 12.941 1.00 1.00 H new ATOM 0 HA ALA A 64 7.207 5.462 15.437 1.00 1.00 H new ATOM 0 HB1 ALA A 64 6.369 3.276 14.722 1.00 1.00 H new ATOM 0 HB2 ALA A 64 5.109 4.526 14.588 1.00 1.00 H new ATOM 0 HB3 ALA A 64 5.949 3.949 13.129 1.00 1.00 H new ATOM 927 N ARG A 65 8.596 4.686 12.552 1.00 1.00 N ATOM 928 CA ARG A 65 9.844 4.273 11.935 1.00 1.00 C ATOM 929 C ARG A 65 11.028 4.958 12.621 1.00 1.00 C ATOM 930 O ARG A 65 10.845 5.916 13.372 1.00 1.00 O ATOM 931 CB ARG A 65 9.861 4.617 10.443 1.00 1.00 C ATOM 932 CG ARG A 65 9.389 6.053 10.206 1.00 1.00 C ATOM 933 CD ARG A 65 10.427 7.060 10.702 1.00 1.00 C ATOM 934 NE ARG A 65 9.942 7.725 11.932 1.00 1.00 N ATOM 935 CZ ARG A 65 10.403 8.899 12.383 1.00 1.00 C ATOM 936 NH1 ARG A 65 11.362 9.547 11.709 1.00 1.00 N ATOM 937 NH2 ARG A 65 9.903 9.426 13.509 1.00 1.00 N ATOM 0 H ARG A 65 7.831 4.853 11.898 1.00 1.00 H new ATOM 0 HA ARG A 65 9.928 3.192 12.049 1.00 1.00 H new ATOM 0 HB2 ARG A 65 10.870 4.492 10.049 1.00 1.00 H new ATOM 0 HB3 ARG A 65 9.218 3.925 9.899 1.00 1.00 H new ATOM 0 HG2 ARG A 65 9.205 6.208 9.143 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.442 6.218 10.720 1.00 1.00 H new ATOM 0 HD2 ARG A 65 11.371 6.553 10.901 1.00 1.00 H new ATOM 0 HD3 ARG A 65 10.622 7.804 9.929 1.00 1.00 H new ATOM 0 HE ARG A 65 9.211 7.260 12.470 1.00 1.00 H new ATOM 0 HH11 ARG A 65 11.742 9.147 10.851 1.00 1.00 H new ATOM 0 HH12 ARG A 65 11.712 10.441 12.053 1.00 1.00 H new ATOM 0 HH21 ARG A 65 9.172 8.933 14.022 1.00 1.00 H new ATOM 0 HH22 ARG A 65 10.253 10.320 13.853 1.00 1.00 H new ATOM 951 N LYS A 66 12.215 4.441 12.340 1.00 1.00 N ATOM 952 CA LYS A 66 13.428 4.990 12.922 1.00 1.00 C ATOM 953 C LYS A 66 14.598 4.760 11.963 1.00 1.00 C ATOM 954 O LYS A 66 15.683 4.364 12.386 1.00 1.00 O ATOM 955 CB LYS A 66 13.658 4.417 14.322 1.00 1.00 C ATOM 956 CG LYS A 66 15.030 4.826 14.862 1.00 1.00 C ATOM 957 CD LYS A 66 14.909 5.438 16.260 1.00 1.00 C ATOM 958 CE LYS A 66 15.156 6.947 16.220 1.00 1.00 C ATOM 959 NZ LYS A 66 16.045 7.356 17.329 1.00 1.00 N ATOM 0 H LYS A 66 12.363 3.647 11.717 1.00 1.00 H new ATOM 0 HA LYS A 66 13.332 6.067 13.056 1.00 1.00 H new ATOM 0 HB2 LYS A 66 12.878 4.770 14.996 1.00 1.00 H new ATOM 0 HB3 LYS A 66 13.585 3.330 14.291 1.00 1.00 H new ATOM 0 HG2 LYS A 66 15.685 3.956 14.898 1.00 1.00 H new ATOM 0 HG3 LYS A 66 15.492 5.545 14.185 1.00 1.00 H new ATOM 0 HD2 LYS A 66 13.916 5.239 16.664 1.00 1.00 H new ATOM 0 HD3 LYS A 66 15.627 4.966 16.931 1.00 1.00 H new ATOM 0 HE2 LYS A 66 15.605 7.223 15.266 1.00 1.00 H new ATOM 0 HE3 LYS A 66 14.207 7.479 16.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 16.202 8.383 17.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 15.602 7.110 18.237 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 16.956 6.862 17.243 1.00 1.00 H new ATOM 973 N ASN A 67 14.337 5.017 10.690 1.00 1.00 N ATOM 974 CA ASN A 67 15.354 4.843 9.667 1.00 1.00 C ATOM 975 C ASN A 67 16.144 3.564 9.953 1.00 1.00 C ATOM 976 O ASN A 67 17.031 3.554 10.805 1.00 1.00 O ATOM 977 CB ASN A 67 16.338 6.014 9.664 1.00 1.00 C ATOM 978 CG ASN A 67 16.951 6.221 11.051 1.00 1.00 C ATOM 979 OD1 ASN A 67 18.017 5.722 11.368 1.00 1.00 O ATOM 980 ND2 ASN A 67 16.217 6.983 11.857 1.00 1.00 N ATOM 0 H ASN A 67 13.435 5.345 10.343 1.00 1.00 H new ATOM 0 HA ASN A 67 14.854 4.789 8.700 1.00 1.00 H new ATOM 0 HB2 ASN A 67 17.129 5.827 8.938 1.00 1.00 H new ATOM 0 HB3 ASN A 67 15.825 6.923 9.350 1.00 1.00 H new ATOM 0 HD21 ASN A 67 16.539 7.181 12.805 1.00 1.00 H new ATOM 0 HD22 ASN A 67 15.333 7.370 11.527 1.00 1.00 H new ATOM 987 N CYS A 68 15.793 2.514 9.225 1.00 1.00 N ATOM 988 CA CYS A 68 16.458 1.232 9.389 1.00 1.00 C ATOM 989 C CYS A 68 16.937 0.760 8.015 1.00 1.00 C ATOM 990 O CYS A 68 16.520 -0.295 7.537 1.00 1.00 O ATOM 991 CB CYS A 68 15.546 0.204 10.060 1.00 1.00 C ATOM 992 SG CYS A 68 16.418 -1.198 10.848 1.00 1.00 S ATOM 0 H CYS A 68 15.056 2.525 8.520 1.00 1.00 H new ATOM 0 HA CYS A 68 17.316 1.346 10.052 1.00 1.00 H new ATOM 0 HB2 CYS A 68 14.945 0.711 10.815 1.00 1.00 H new ATOM 0 HB3 CYS A 68 14.855 -0.189 9.314 1.00 1.00 H new ATOM 997 N GLY A 69 17.806 1.564 7.418 1.00 1.00 N ATOM 998 CA GLY A 69 18.345 1.241 6.108 1.00 1.00 C ATOM 999 C GLY A 69 18.873 2.494 5.409 1.00 1.00 C ATOM 1000 O GLY A 69 19.067 3.530 6.045 1.00 1.00 O ATOM 0 H GLY A 69 18.149 2.437 7.817 1.00 1.00 H new ATOM 0 HA2 GLY A 69 19.149 0.512 6.211 1.00 1.00 H new ATOM 0 HA3 GLY A 69 17.571 0.778 5.496 1.00 1.00 H new ATOM 1004 N TYR A 70 19.092 2.361 4.109 1.00 1.00 N ATOM 1005 CA TYR A 70 19.594 3.470 3.316 1.00 1.00 C ATOM 1006 C TYR A 70 18.602 3.849 2.214 1.00 1.00 C ATOM 1007 O TYR A 70 17.754 3.044 1.834 1.00 1.00 O ATOM 1008 CB TYR A 70 20.890 2.976 2.672 1.00 1.00 C ATOM 1009 CG TYR A 70 20.981 1.454 2.545 1.00 1.00 C ATOM 1010 CD1 TYR A 70 21.072 0.671 3.679 1.00 1.00 C ATOM 1011 CD2 TYR A 70 20.972 0.863 1.299 1.00 1.00 C ATOM 1012 CE1 TYR A 70 21.158 -0.760 3.560 1.00 1.00 C ATOM 1013 CE2 TYR A 70 21.058 -0.570 1.180 1.00 1.00 C ATOM 1014 CZ TYR A 70 21.147 -1.311 2.317 1.00 1.00 C ATOM 1015 OH TYR A 70 21.227 -2.664 2.205 1.00 1.00 O ATOM 0 H TYR A 70 18.931 1.501 3.585 1.00 1.00 H new ATOM 0 HA TYR A 70 19.747 4.350 3.941 1.00 1.00 H new ATOM 0 HB2 TYR A 70 20.983 3.419 1.681 1.00 1.00 H new ATOM 0 HB3 TYR A 70 21.735 3.332 3.261 1.00 1.00 H new ATOM 0 HD1 TYR A 70 21.079 1.133 4.655 1.00 1.00 H new ATOM 0 HD2 TYR A 70 20.900 1.475 0.412 1.00 1.00 H new ATOM 0 HE1 TYR A 70 21.230 -1.383 4.439 1.00 1.00 H new ATOM 0 HE2 TYR A 70 21.052 -1.045 0.210 1.00 1.00 H new ATOM 0 HH TYR A 70 21.207 -2.916 1.258 1.00 1.00 H new ATOM 1025 N PRO A 71 18.746 5.108 1.719 1.00 1.00 N ATOM 1026 CA PRO A 71 17.874 5.603 0.668 1.00 1.00 C ATOM 1027 C PRO A 71 18.243 4.992 -0.685 1.00 1.00 C ATOM 1028 O PRO A 71 18.589 5.711 -1.622 1.00 1.00 O ATOM 1029 CB PRO A 71 18.037 7.114 0.701 1.00 1.00 C ATOM 1030 CG PRO A 71 19.334 7.377 1.448 1.00 1.00 C ATOM 1031 CD PRO A 71 19.740 6.089 2.145 1.00 1.00 C ATOM 0 HA PRO A 71 16.831 5.324 0.821 1.00 1.00 H new ATOM 0 HB2 PRO A 71 18.077 7.525 -0.308 1.00 1.00 H new ATOM 0 HB3 PRO A 71 17.194 7.587 1.204 1.00 1.00 H new ATOM 0 HG2 PRO A 71 20.113 7.699 0.758 1.00 1.00 H new ATOM 0 HG3 PRO A 71 19.200 8.178 2.175 1.00 1.00 H new ATOM 0 HD2 PRO A 71 20.746 5.784 1.858 1.00 1.00 H new ATOM 0 HD3 PRO A 71 19.740 6.208 3.228 1.00 1.00 H new ATOM 1039 N GLY A 72 18.159 3.671 -0.745 1.00 1.00 N ATOM 1040 CA GLY A 72 18.480 2.954 -1.967 1.00 1.00 C ATOM 1041 C GLY A 72 18.070 1.484 -1.865 1.00 1.00 C ATOM 1042 O GLY A 72 17.630 0.889 -2.848 1.00 1.00 O ATOM 0 H GLY A 72 17.873 3.078 0.034 1.00 1.00 H new ATOM 0 HA2 GLY A 72 17.970 3.420 -2.810 1.00 1.00 H new ATOM 0 HA3 GLY A 72 19.550 3.024 -2.163 1.00 1.00 H new ATOM 1046 N ILE A 73 18.229 0.940 -0.668 1.00 1.00 N ATOM 1047 CA ILE A 73 17.880 -0.449 -0.424 1.00 1.00 C ATOM 1048 C ILE A 73 16.582 -0.781 -1.163 1.00 1.00 C ATOM 1049 O ILE A 73 15.818 0.115 -1.517 1.00 1.00 O ATOM 1050 CB ILE A 73 17.824 -0.732 1.078 1.00 1.00 C ATOM 1051 CG1 ILE A 73 17.971 -2.229 1.360 1.00 1.00 C ATOM 1052 CG2 ILE A 73 16.550 -0.155 1.698 1.00 1.00 C ATOM 1053 CD1 ILE A 73 18.135 -2.492 2.858 1.00 1.00 C ATOM 0 H ILE A 73 18.595 1.436 0.144 1.00 1.00 H new ATOM 0 HA ILE A 73 18.650 -1.111 -0.820 1.00 1.00 H new ATOM 0 HB ILE A 73 18.668 -0.230 1.551 1.00 1.00 H new ATOM 0 HG12 ILE A 73 17.095 -2.760 0.988 1.00 1.00 H new ATOM 0 HG13 ILE A 73 18.834 -2.621 0.822 1.00 1.00 H new ATOM 0 HG21 ILE A 73 16.535 -0.370 2.766 1.00 1.00 H new ATOM 0 HG22 ILE A 73 16.527 0.924 1.545 1.00 1.00 H new ATOM 0 HG23 ILE A 73 15.678 -0.607 1.225 1.00 1.00 H new ATOM 0 HD11 ILE A 73 18.237 -3.563 3.030 1.00 1.00 H new ATOM 0 HD12 ILE A 73 19.025 -1.979 3.222 1.00 1.00 H new ATOM 0 HD13 ILE A 73 17.259 -2.121 3.391 1.00 1.00 H new ATOM 1065 N SER A 74 16.371 -2.073 -1.372 1.00 1.00 N ATOM 1066 CA SER A 74 15.178 -2.535 -2.061 1.00 1.00 C ATOM 1067 C SER A 74 14.225 -3.201 -1.066 1.00 1.00 C ATOM 1068 O SER A 74 14.529 -3.296 0.122 1.00 1.00 O ATOM 1069 CB SER A 74 15.535 -3.506 -3.187 1.00 1.00 C ATOM 1070 OG SER A 74 15.240 -4.857 -2.841 1.00 1.00 O ATOM 0 H SER A 74 17.006 -2.814 -1.076 1.00 1.00 H new ATOM 0 HA SER A 74 14.683 -1.672 -2.506 1.00 1.00 H new ATOM 0 HB2 SER A 74 14.985 -3.234 -4.088 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.596 -3.415 -3.421 1.00 1.00 H new ATOM 0 HG SER A 74 15.298 -5.420 -3.641 1.00 1.00 H new ATOM 1076 N PRO A 75 13.061 -3.657 -1.604 1.00 1.00 N ATOM 1077 CA PRO A 75 12.062 -4.312 -0.777 1.00 1.00 C ATOM 1078 C PRO A 75 12.494 -5.735 -0.417 1.00 1.00 C ATOM 1079 O PRO A 75 12.567 -6.086 0.759 1.00 1.00 O ATOM 1080 CB PRO A 75 10.784 -4.270 -1.598 1.00 1.00 C ATOM 1081 CG PRO A 75 11.218 -4.013 -3.032 1.00 1.00 C ATOM 1082 CD PRO A 75 12.669 -3.562 -3.007 1.00 1.00 C ATOM 0 HA PRO A 75 11.920 -3.816 0.183 1.00 1.00 H new ATOM 0 HB2 PRO A 75 10.237 -5.210 -1.518 1.00 1.00 H new ATOM 0 HB3 PRO A 75 10.118 -3.483 -1.244 1.00 1.00 H new ATOM 0 HG2 PRO A 75 11.110 -4.917 -3.631 1.00 1.00 H new ATOM 0 HG3 PRO A 75 10.589 -3.250 -3.490 1.00 1.00 H new ATOM 0 HD2 PRO A 75 13.292 -4.197 -3.636 1.00 1.00 H new ATOM 0 HD3 PRO A 75 12.774 -2.543 -3.380 1.00 1.00 H new ATOM 1090 N GLU A 76 12.771 -6.514 -1.452 1.00 1.00 N ATOM 1091 CA GLU A 76 13.194 -7.891 -1.260 1.00 1.00 C ATOM 1092 C GLU A 76 14.604 -7.935 -0.666 1.00 1.00 C ATOM 1093 O GLU A 76 15.022 -8.958 -0.126 1.00 1.00 O ATOM 1094 CB GLU A 76 13.128 -8.673 -2.573 1.00 1.00 C ATOM 1095 CG GLU A 76 11.678 -8.952 -2.974 1.00 1.00 C ATOM 1096 CD GLU A 76 11.521 -8.958 -4.495 1.00 1.00 C ATOM 1097 OE1 GLU A 76 12.463 -9.439 -5.161 1.00 1.00 O ATOM 1098 OE2 GLU A 76 10.462 -8.482 -4.958 1.00 1.00 O ATOM 0 H GLU A 76 12.711 -6.218 -2.426 1.00 1.00 H new ATOM 0 HA GLU A 76 12.509 -8.366 -0.557 1.00 1.00 H new ATOM 0 HB2 GLU A 76 13.625 -8.108 -3.362 1.00 1.00 H new ATOM 0 HB3 GLU A 76 13.667 -9.614 -2.467 1.00 1.00 H new ATOM 0 HG2 GLU A 76 11.364 -9.914 -2.569 1.00 1.00 H new ATOM 0 HG3 GLU A 76 11.025 -8.195 -2.540 1.00 1.00 H new ATOM 1105 N ASP A 77 15.297 -6.812 -0.785 1.00 1.00 N ATOM 1106 CA ASP A 77 16.650 -6.710 -0.266 1.00 1.00 C ATOM 1107 C ASP A 77 16.598 -6.277 1.200 1.00 1.00 C ATOM 1108 O ASP A 77 17.293 -6.842 2.044 1.00 1.00 O ATOM 1109 CB ASP A 77 17.458 -5.665 -1.038 1.00 1.00 C ATOM 1110 CG ASP A 77 17.656 -5.970 -2.524 1.00 1.00 C ATOM 1111 OD1 ASP A 77 17.012 -6.932 -2.997 1.00 1.00 O ATOM 1112 OD2 ASP A 77 18.446 -5.235 -3.155 1.00 1.00 O ATOM 0 H ASP A 77 14.947 -5.965 -1.233 1.00 1.00 H new ATOM 0 HA ASP A 77 17.126 -7.685 -0.371 1.00 1.00 H new ATOM 0 HB2 ASP A 77 16.960 -4.700 -0.944 1.00 1.00 H new ATOM 0 HB3 ASP A 77 18.437 -5.566 -0.569 1.00 1.00 H new ATOM 1117 N CYS A 78 15.767 -5.279 1.461 1.00 1.00 N ATOM 1118 CA CYS A 78 15.615 -4.764 2.811 1.00 1.00 C ATOM 1119 C CYS A 78 15.337 -5.943 3.747 1.00 1.00 C ATOM 1120 O CYS A 78 16.117 -6.215 4.657 1.00 1.00 O ATOM 1121 CB CYS A 78 14.518 -3.701 2.891 1.00 1.00 C ATOM 1122 SG CYS A 78 14.342 -2.901 4.528 1.00 1.00 S ATOM 0 H CYS A 78 15.191 -4.813 0.760 1.00 1.00 H new ATOM 0 HA CYS A 78 16.535 -4.266 3.118 1.00 1.00 H new ATOM 0 HB2 CYS A 78 14.722 -2.932 2.146 1.00 1.00 H new ATOM 0 HB3 CYS A 78 13.567 -4.160 2.622 1.00 1.00 H new ATOM 1127 N ALA A 79 14.222 -6.611 3.489 1.00 1.00 N ATOM 1128 CA ALA A 79 13.832 -7.754 4.296 1.00 1.00 C ATOM 1129 C ALA A 79 14.935 -8.811 4.243 1.00 1.00 C ATOM 1130 O ALA A 79 15.264 -9.423 5.259 1.00 1.00 O ATOM 1131 CB ALA A 79 12.486 -8.291 3.803 1.00 1.00 C ATOM 0 H ALA A 79 13.577 -6.382 2.733 1.00 1.00 H new ATOM 0 HA ALA A 79 13.705 -7.462 5.339 1.00 1.00 H new ATOM 0 HB1 ALA A 79 12.193 -9.149 4.408 1.00 1.00 H new ATOM 0 HB2 ALA A 79 11.730 -7.511 3.889 1.00 1.00 H new ATOM 0 HB3 ALA A 79 12.576 -8.596 2.760 1.00 1.00 H new ATOM 1137 N ALA A 80 15.479 -8.995 3.049 1.00 1.00 N ATOM 1138 CA ALA A 80 16.539 -9.968 2.851 1.00 1.00 C ATOM 1139 C ALA A 80 17.869 -9.368 3.310 1.00 1.00 C ATOM 1140 O ALA A 80 18.928 -9.954 3.089 1.00 1.00 O ATOM 1141 CB ALA A 80 16.570 -10.398 1.382 1.00 1.00 C ATOM 0 H ALA A 80 15.205 -8.486 2.209 1.00 1.00 H new ATOM 0 HA ALA A 80 16.356 -10.861 3.449 1.00 1.00 H new ATOM 0 HB1 ALA A 80 17.365 -11.128 1.233 1.00 1.00 H new ATOM 0 HB2 ALA A 80 15.613 -10.845 1.113 1.00 1.00 H new ATOM 0 HB3 ALA A 80 16.754 -9.528 0.752 1.00 1.00 H new ATOM 1147 N ARG A 81 17.771 -8.206 3.939 1.00 1.00 N ATOM 1148 CA ARG A 81 18.953 -7.519 4.431 1.00 1.00 C ATOM 1149 C ARG A 81 18.887 -7.373 5.952 1.00 1.00 C ATOM 1150 O ARG A 81 19.830 -7.732 6.656 1.00 1.00 O ATOM 1151 CB ARG A 81 19.089 -6.133 3.798 1.00 1.00 C ATOM 1152 CG ARG A 81 19.759 -6.221 2.425 1.00 1.00 C ATOM 1153 CD ARG A 81 21.264 -5.970 2.533 1.00 1.00 C ATOM 1154 NE ARG A 81 21.853 -5.839 1.181 1.00 1.00 N ATOM 1155 CZ ARG A 81 23.135 -5.524 0.948 1.00 1.00 C ATOM 1156 NH1 ARG A 81 23.969 -5.306 1.973 1.00 1.00 N ATOM 1157 NH2 ARG A 81 23.582 -5.427 -0.312 1.00 1.00 N ATOM 0 H ARG A 81 16.891 -7.723 4.119 1.00 1.00 H new ATOM 0 HA ARG A 81 19.822 -8.117 4.157 1.00 1.00 H new ATOM 0 HB2 ARG A 81 18.104 -5.677 3.698 1.00 1.00 H new ATOM 0 HB3 ARG A 81 19.675 -5.487 4.452 1.00 1.00 H new ATOM 0 HG2 ARG A 81 19.581 -7.205 1.992 1.00 1.00 H new ATOM 0 HG3 ARG A 81 19.312 -5.490 1.751 1.00 1.00 H new ATOM 0 HD2 ARG A 81 21.450 -5.063 3.109 1.00 1.00 H new ATOM 0 HD3 ARG A 81 21.741 -6.791 3.068 1.00 1.00 H new ATOM 0 HE ARG A 81 21.246 -5.998 0.377 1.00 1.00 H new ATOM 0 HH11 ARG A 81 23.629 -5.380 2.932 1.00 1.00 H new ATOM 0 HH12 ARG A 81 24.944 -5.066 1.795 1.00 1.00 H new ATOM 0 HH21 ARG A 81 22.947 -5.593 -1.093 1.00 1.00 H new ATOM 0 HH22 ARG A 81 24.557 -5.187 -0.490 1.00 1.00 H new ATOM 1171 N ASN A 82 17.765 -6.844 6.417 1.00 1.00 N ATOM 1172 CA ASN A 82 17.562 -6.645 7.841 1.00 1.00 C ATOM 1173 C ASN A 82 16.797 -5.341 8.067 1.00 1.00 C ATOM 1174 O ASN A 82 17.329 -4.256 7.840 1.00 1.00 O ATOM 1175 CB ASN A 82 18.901 -6.542 8.577 1.00 1.00 C ATOM 1176 CG ASN A 82 19.343 -7.907 9.107 1.00 1.00 C ATOM 1177 OD1 ASN A 82 18.563 -8.675 9.645 1.00 1.00 O ATOM 1178 ND2 ASN A 82 20.634 -8.166 8.924 1.00 1.00 N ATOM 0 H ASN A 82 16.985 -6.546 5.831 1.00 1.00 H new ATOM 0 HA ASN A 82 17.002 -7.498 8.225 1.00 1.00 H new ATOM 0 HB2 ASN A 82 19.661 -6.146 7.903 1.00 1.00 H new ATOM 0 HB3 ASN A 82 18.812 -5.838 9.405 1.00 1.00 H new ATOM 0 HD21 ASN A 82 21.026 -9.052 9.242 1.00 1.00 H new ATOM 0 HD22 ASN A 82 21.232 -7.478 8.466 1.00 1.00 H new ATOM 1185 N CYS A 83 15.557 -5.489 8.512 1.00 1.00 N ATOM 1186 CA CYS A 83 14.711 -4.336 8.770 1.00 1.00 C ATOM 1187 C CYS A 83 13.437 -4.478 7.936 1.00 1.00 C ATOM 1188 O CYS A 83 13.463 -5.051 6.847 1.00 1.00 O ATOM 1189 CB CYS A 83 15.441 -3.023 8.478 1.00 1.00 C ATOM 1190 SG CYS A 83 16.783 -2.614 9.653 1.00 1.00 S ATOM 0 H CYS A 83 15.118 -6.390 8.700 1.00 1.00 H new ATOM 0 HA CYS A 83 14.449 -4.303 9.828 1.00 1.00 H new ATOM 0 HB2 CYS A 83 15.860 -3.072 7.473 1.00 1.00 H new ATOM 0 HB3 CYS A 83 14.714 -2.211 8.481 1.00 1.00 H new ATOM 1195 N CYS A 84 12.351 -3.946 8.478 1.00 1.00 N ATOM 1196 CA CYS A 84 11.069 -4.006 7.796 1.00 1.00 C ATOM 1197 C CYS A 84 11.121 -3.066 6.591 1.00 1.00 C ATOM 1198 O CYS A 84 12.002 -2.212 6.502 1.00 1.00 O ATOM 1199 CB CYS A 84 9.912 -3.664 8.738 1.00 1.00 C ATOM 1200 SG CYS A 84 9.604 -4.895 10.056 1.00 1.00 S ATOM 0 H CYS A 84 12.332 -3.472 9.381 1.00 1.00 H new ATOM 0 HA CYS A 84 10.884 -5.024 7.453 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.114 -2.699 9.202 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.003 -3.550 8.147 1.00 1.00 H new ATOM 1205 N PHE A 85 10.166 -3.256 5.692 1.00 1.00 N ATOM 1206 CA PHE A 85 10.092 -2.436 4.495 1.00 1.00 C ATOM 1207 C PHE A 85 8.641 -2.087 4.158 1.00 1.00 C ATOM 1208 O PHE A 85 7.903 -2.921 3.635 1.00 1.00 O ATOM 1209 CB PHE A 85 10.685 -3.260 3.350 1.00 1.00 C ATOM 1210 CG PHE A 85 10.778 -2.505 2.022 1.00 1.00 C ATOM 1211 CD1 PHE A 85 9.657 -2.296 1.280 1.00 1.00 C ATOM 1212 CD2 PHE A 85 11.980 -2.043 1.585 1.00 1.00 C ATOM 1213 CE1 PHE A 85 9.744 -1.596 0.047 1.00 1.00 C ATOM 1214 CE2 PHE A 85 12.066 -1.344 0.353 1.00 1.00 C ATOM 1215 CZ PHE A 85 10.945 -1.134 -0.390 1.00 1.00 C ATOM 0 H PHE A 85 9.437 -3.966 5.769 1.00 1.00 H new ATOM 0 HA PHE A 85 10.635 -1.504 4.649 1.00 1.00 H new ATOM 0 HB2 PHE A 85 11.682 -3.595 3.636 1.00 1.00 H new ATOM 0 HB3 PHE A 85 10.077 -4.153 3.206 1.00 1.00 H new ATOM 0 HD1 PHE A 85 8.702 -2.662 1.628 1.00 1.00 H new ATOM 0 HD2 PHE A 85 12.869 -2.208 2.175 1.00 1.00 H new ATOM 0 HE1 PHE A 85 8.855 -1.431 -0.544 1.00 1.00 H new ATOM 0 HE2 PHE A 85 13.021 -0.979 0.005 1.00 1.00 H new ATOM 0 HZ PHE A 85 11.010 -0.600 -1.327 1.00 1.00 H new ATOM 1225 N SER A 86 8.275 -0.853 4.470 1.00 1.00 N ATOM 1226 CA SER A 86 6.925 -0.384 4.207 1.00 1.00 C ATOM 1227 C SER A 86 6.969 1.003 3.561 1.00 1.00 C ATOM 1228 O SER A 86 7.054 2.013 4.258 1.00 1.00 O ATOM 1229 CB SER A 86 6.095 -0.344 5.492 1.00 1.00 C ATOM 1230 OG SER A 86 4.760 0.089 5.251 1.00 1.00 O ATOM 0 H SER A 86 8.890 -0.163 4.902 1.00 1.00 H new ATOM 0 HA SER A 86 6.448 -1.083 3.520 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.079 -1.336 5.944 1.00 1.00 H new ATOM 0 HB3 SER A 86 6.569 0.326 6.209 1.00 1.00 H new ATOM 0 HG SER A 86 4.262 0.100 6.095 1.00 1.00 H new ATOM 1236 N ASP A 87 6.910 1.007 2.238 1.00 1.00 N ATOM 1237 CA ASP A 87 6.943 2.252 1.490 1.00 1.00 C ATOM 1238 C ASP A 87 5.555 2.896 1.520 1.00 1.00 C ATOM 1239 O ASP A 87 5.367 4.000 1.009 1.00 1.00 O ATOM 1240 CB ASP A 87 7.320 2.008 0.028 1.00 1.00 C ATOM 1241 CG ASP A 87 6.161 1.588 -0.877 1.00 1.00 C ATOM 1242 OD1 ASP A 87 5.244 0.920 -0.351 1.00 1.00 O ATOM 1243 OD2 ASP A 87 6.217 1.943 -2.074 1.00 1.00 O ATOM 0 H ASP A 87 6.839 0.167 1.664 1.00 1.00 H new ATOM 0 HA ASP A 87 7.688 2.902 1.950 1.00 1.00 H new ATOM 0 HB2 ASP A 87 7.763 2.919 -0.374 1.00 1.00 H new ATOM 0 HB3 ASP A 87 8.089 1.236 -0.009 1.00 1.00 H new ATOM 1248 N THR A 88 4.617 2.178 2.122 1.00 1.00 N ATOM 1249 CA THR A 88 3.253 2.666 2.224 1.00 1.00 C ATOM 1250 C THR A 88 3.235 4.193 2.297 1.00 1.00 C ATOM 1251 O THR A 88 2.359 4.837 1.723 1.00 1.00 O ATOM 1252 CB THR A 88 2.599 1.992 3.432 1.00 1.00 C ATOM 1253 OG1 THR A 88 1.290 2.553 3.478 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.235 2.421 4.756 1.00 1.00 C ATOM 0 H THR A 88 4.776 1.263 2.544 1.00 1.00 H new ATOM 0 HA THR A 88 2.675 2.409 1.337 1.00 1.00 H new ATOM 0 HB THR A 88 2.672 0.910 3.327 1.00 1.00 H new ATOM 0 HG1 THR A 88 0.796 2.169 4.232 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.735 1.914 5.581 1.00 1.00 H new ATOM 0 HG22 THR A 88 4.292 2.155 4.755 1.00 1.00 H new ATOM 0 HG23 THR A 88 3.132 3.499 4.877 1.00 1.00 H new ATOM 1262 N ILE A 89 4.215 4.731 3.010 1.00 1.00 N ATOM 1263 CA ILE A 89 4.324 6.172 3.166 1.00 1.00 C ATOM 1264 C ILE A 89 5.582 6.664 2.450 1.00 1.00 C ATOM 1265 O ILE A 89 6.697 6.444 2.923 1.00 1.00 O ATOM 1266 CB ILE A 89 4.268 6.556 4.646 1.00 1.00 C ATOM 1267 CG1 ILE A 89 2.821 6.647 5.135 1.00 1.00 C ATOM 1268 CG2 ILE A 89 5.043 7.849 4.906 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.553 5.634 6.249 1.00 1.00 C ATOM 0 H ILE A 89 4.940 4.195 3.486 1.00 1.00 H new ATOM 0 HA ILE A 89 3.475 6.671 2.699 1.00 1.00 H new ATOM 0 HB ILE A 89 4.753 5.768 5.222 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.619 7.654 5.499 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.140 6.466 4.303 1.00 1.00 H new ATOM 0 HG21 ILE A 89 4.987 8.100 5.965 1.00 1.00 H new ATOM 0 HG22 ILE A 89 6.086 7.712 4.620 1.00 1.00 H new ATOM 0 HG23 ILE A 89 4.609 8.658 4.318 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.517 5.720 6.578 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.732 4.626 5.875 1.00 1.00 H new ATOM 0 HD13 ILE A 89 3.218 5.833 7.089 1.00 1.00 H new ATOM 1281 N PRO A 90 5.358 7.340 1.291 1.00 1.00 N ATOM 1282 CA PRO A 90 6.461 7.865 0.505 1.00 1.00 C ATOM 1283 C PRO A 90 7.053 9.115 1.158 1.00 1.00 C ATOM 1284 O PRO A 90 6.320 9.956 1.676 1.00 1.00 O ATOM 1285 CB PRO A 90 5.871 8.136 -0.869 1.00 1.00 C ATOM 1286 CG PRO A 90 4.365 8.193 -0.672 1.00 1.00 C ATOM 1287 CD PRO A 90 4.053 7.619 0.700 1.00 1.00 C ATOM 0 HA PRO A 90 7.296 7.168 0.435 1.00 1.00 H new ATOM 0 HB2 PRO A 90 6.247 9.074 -1.278 1.00 1.00 H new ATOM 0 HB3 PRO A 90 6.143 7.350 -1.573 1.00 1.00 H new ATOM 0 HG2 PRO A 90 4.009 9.221 -0.746 1.00 1.00 H new ATOM 0 HG3 PRO A 90 3.856 7.623 -1.449 1.00 1.00 H new ATOM 0 HD2 PRO A 90 3.487 8.327 1.306 1.00 1.00 H new ATOM 0 HD3 PRO A 90 3.452 6.713 0.623 1.00 1.00 H new ATOM 1295 N GLU A 91 8.375 9.198 1.114 1.00 1.00 N ATOM 1296 CA GLU A 91 9.074 10.330 1.696 1.00 1.00 C ATOM 1297 C GLU A 91 9.434 10.040 3.154 1.00 1.00 C ATOM 1298 O GLU A 91 9.472 10.951 3.981 1.00 1.00 O ATOM 1299 CB GLU A 91 8.240 11.607 1.581 1.00 1.00 C ATOM 1300 CG GLU A 91 7.563 11.699 0.212 1.00 1.00 C ATOM 1301 CD GLU A 91 7.990 12.967 -0.528 1.00 1.00 C ATOM 1302 OE1 GLU A 91 9.134 12.971 -1.033 1.00 1.00 O ATOM 1303 OE2 GLU A 91 7.165 13.905 -0.573 1.00 1.00 O ATOM 0 H GLU A 91 8.980 8.499 0.684 1.00 1.00 H new ATOM 0 HA GLU A 91 9.998 10.487 1.139 1.00 1.00 H new ATOM 0 HB2 GLU A 91 7.484 11.624 2.366 1.00 1.00 H new ATOM 0 HB3 GLU A 91 8.878 12.477 1.734 1.00 1.00 H new ATOM 0 HG2 GLU A 91 7.819 10.823 -0.384 1.00 1.00 H new ATOM 0 HG3 GLU A 91 6.480 11.694 0.337 1.00 1.00 H new ATOM 1310 N VAL A 92 9.690 8.769 3.425 1.00 1.00 N ATOM 1311 CA VAL A 92 10.046 8.347 4.770 1.00 1.00 C ATOM 1312 C VAL A 92 10.898 7.078 4.693 1.00 1.00 C ATOM 1313 O VAL A 92 11.108 6.532 3.611 1.00 1.00 O ATOM 1314 CB VAL A 92 8.783 8.169 5.614 1.00 1.00 C ATOM 1315 CG1 VAL A 92 7.730 9.219 5.252 1.00 1.00 C ATOM 1316 CG2 VAL A 92 8.220 6.754 5.467 1.00 1.00 C ATOM 0 H VAL A 92 9.658 8.017 2.737 1.00 1.00 H new ATOM 0 HA VAL A 92 10.646 9.111 5.264 1.00 1.00 H new ATOM 0 HB VAL A 92 9.055 8.314 6.660 1.00 1.00 H new ATOM 0 HG11 VAL A 92 6.842 9.070 5.866 1.00 1.00 H new ATOM 0 HG12 VAL A 92 8.133 10.216 5.432 1.00 1.00 H new ATOM 0 HG13 VAL A 92 7.464 9.120 4.200 1.00 1.00 H new ATOM 0 HG21 VAL A 92 7.322 6.654 6.077 1.00 1.00 H new ATOM 0 HG22 VAL A 92 7.971 6.568 4.422 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.965 6.030 5.797 1.00 1.00 H new ATOM 1326 N PRO A 93 11.378 6.636 5.886 1.00 1.00 N ATOM 1327 CA PRO A 93 12.202 5.441 5.964 1.00 1.00 C ATOM 1328 C PRO A 93 11.355 4.179 5.797 1.00 1.00 C ATOM 1329 O PRO A 93 10.768 3.690 6.760 1.00 1.00 O ATOM 1330 CB PRO A 93 12.886 5.523 7.319 1.00 1.00 C ATOM 1331 CG PRO A 93 12.071 6.511 8.138 1.00 1.00 C ATOM 1332 CD PRO A 93 11.151 7.258 7.187 1.00 1.00 C ATOM 0 HA PRO A 93 12.939 5.385 5.163 1.00 1.00 H new ATOM 0 HB2 PRO A 93 12.915 4.546 7.802 1.00 1.00 H new ATOM 0 HB3 PRO A 93 13.918 5.859 7.216 1.00 1.00 H new ATOM 0 HG2 PRO A 93 11.491 5.989 8.899 1.00 1.00 H new ATOM 0 HG3 PRO A 93 12.728 7.207 8.660 1.00 1.00 H new ATOM 0 HD2 PRO A 93 10.109 7.168 7.492 1.00 1.00 H new ATOM 0 HD3 PRO A 93 11.386 8.322 7.163 1.00 1.00 H new ATOM 1340 N TRP A 94 11.320 3.687 4.567 1.00 1.00 N ATOM 1341 CA TRP A 94 10.553 2.490 4.261 1.00 1.00 C ATOM 1342 C TRP A 94 11.150 1.331 5.062 1.00 1.00 C ATOM 1343 O TRP A 94 10.426 0.442 5.506 1.00 1.00 O ATOM 1344 CB TRP A 94 10.528 2.226 2.755 1.00 1.00 C ATOM 1345 CG TRP A 94 9.966 3.385 1.929 1.00 1.00 C ATOM 1346 CD1 TRP A 94 9.428 4.530 2.373 1.00 1.00 C ATOM 1347 CD2 TRP A 94 9.910 3.467 0.489 1.00 1.00 C ATOM 1348 NE1 TRP A 94 9.030 5.340 1.329 1.00 1.00 N ATOM 1349 CE2 TRP A 94 9.332 4.673 0.147 1.00 1.00 C ATOM 1350 CE3 TRP A 94 10.333 2.553 -0.491 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 9.125 5.075 -1.178 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 10.118 2.969 -1.810 1.00 1.00 C ATOM 1353 CH2 TRP A 94 9.539 4.179 -2.172 1.00 1.00 C ATOM 0 H TRP A 94 11.810 4.095 3.771 1.00 1.00 H new ATOM 0 HA TRP A 94 9.510 2.614 4.551 1.00 1.00 H new ATOM 0 HB2 TRP A 94 11.542 2.011 2.417 1.00 1.00 H new ATOM 0 HB3 TRP A 94 9.932 1.334 2.563 1.00 1.00 H new ATOM 0 HD1 TRP A 94 9.320 4.786 3.417 1.00 1.00 H new ATOM 0 HE1 TRP A 94 8.594 6.259 1.410 1.00 1.00 H new ATOM 0 HE3 TRP A 94 10.788 1.605 -0.246 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 8.671 6.024 -1.421 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 10.424 2.302 -2.603 1.00 1.00 H new ATOM 0 HH2 TRP A 94 9.409 4.428 -3.215 1.00 1.00 H new ATOM 1364 N CYS A 95 12.465 1.378 5.221 1.00 1.00 N ATOM 1365 CA CYS A 95 13.166 0.342 5.960 1.00 1.00 C ATOM 1366 C CYS A 95 13.344 0.818 7.403 1.00 1.00 C ATOM 1367 O CYS A 95 14.228 1.624 7.689 1.00 1.00 O ATOM 1368 CB CYS A 95 14.503 -0.013 5.306 1.00 1.00 C ATOM 1369 SG CYS A 95 14.367 -0.855 3.687 1.00 1.00 S ATOM 0 H CYS A 95 13.063 2.117 4.851 1.00 1.00 H new ATOM 0 HA CYS A 95 12.578 -0.576 5.952 1.00 1.00 H new ATOM 0 HB2 CYS A 95 15.082 0.901 5.176 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.065 -0.653 5.986 1.00 1.00 H new ATOM 1374 N PHE A 96 12.492 0.299 8.273 1.00 1.00 N ATOM 1375 CA PHE A 96 12.543 0.662 9.679 1.00 1.00 C ATOM 1376 C PHE A 96 12.899 -0.549 10.544 1.00 1.00 C ATOM 1377 O PHE A 96 13.264 -1.603 10.025 1.00 1.00 O ATOM 1378 CB PHE A 96 11.149 1.157 10.066 1.00 1.00 C ATOM 1379 CG PHE A 96 10.009 0.282 9.539 1.00 1.00 C ATOM 1380 CD1 PHE A 96 9.629 0.372 8.236 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.376 -0.584 10.374 1.00 1.00 C ATOM 1382 CE1 PHE A 96 8.572 -0.441 7.748 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.319 -1.397 9.886 1.00 1.00 C ATOM 1384 CZ PHE A 96 7.939 -1.307 8.583 1.00 1.00 C ATOM 0 H PHE A 96 11.761 -0.371 8.032 1.00 1.00 H new ATOM 0 HA PHE A 96 13.304 1.426 9.838 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.082 1.208 11.153 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.018 2.172 9.690 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.131 1.061 7.573 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.677 -0.654 11.409 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.271 -0.371 6.713 1.00 1.00 H new ATOM 0 HE2 PHE A 96 7.817 -2.086 10.549 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.134 -1.924 8.212 1.00 1.00 H new ATOM 1394 N PHE A 97 12.781 -0.359 11.850 1.00 1.00 N ATOM 1395 CA PHE A 97 13.085 -1.422 12.793 1.00 1.00 C ATOM 1396 C PHE A 97 11.803 -2.036 13.359 1.00 1.00 C ATOM 1397 O PHE A 97 10.909 -1.318 13.803 1.00 1.00 O ATOM 1398 CB PHE A 97 13.883 -0.791 13.936 1.00 1.00 C ATOM 1399 CG PHE A 97 15.339 -0.483 13.582 1.00 1.00 C ATOM 1400 CD1 PHE A 97 15.665 0.716 13.029 1.00 1.00 C ATOM 1401 CD2 PHE A 97 16.308 -1.408 13.822 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.016 1.003 12.701 1.00 1.00 C ATOM 1403 CE2 PHE A 97 17.659 -1.121 13.494 1.00 1.00 C ATOM 1404 CZ PHE A 97 17.985 0.077 12.940 1.00 1.00 C ATOM 0 H PHE A 97 12.479 0.516 12.278 1.00 1.00 H new ATOM 0 HA PHE A 97 13.645 -2.213 12.294 1.00 1.00 H new ATOM 0 HB2 PHE A 97 13.391 0.132 14.242 1.00 1.00 H new ATOM 0 HB3 PHE A 97 13.863 -1.463 14.794 1.00 1.00 H new ATOM 0 HD1 PHE A 97 14.896 1.450 12.839 1.00 1.00 H new ATOM 0 HD2 PHE A 97 16.049 -2.360 14.262 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.275 1.955 12.262 1.00 1.00 H new ATOM 0 HE2 PHE A 97 18.428 -1.855 13.685 1.00 1.00 H new ATOM 0 HZ PHE A 97 19.013 0.294 12.689 1.00 1.00 H new ATOM 1414 N PRO A 98 11.753 -3.395 13.323 1.00 1.00 N ATOM 1415 CA PRO A 98 10.595 -4.114 13.828 1.00 1.00 C ATOM 1416 C PRO A 98 10.577 -4.119 15.357 1.00 1.00 C ATOM 1417 O PRO A 98 11.616 -3.959 15.995 1.00 1.00 O ATOM 1418 CB PRO A 98 10.707 -5.508 13.231 1.00 1.00 C ATOM 1419 CG PRO A 98 12.156 -5.659 12.795 1.00 1.00 C ATOM 1420 CD PRO A 98 12.792 -4.278 12.805 1.00 1.00 C ATOM 0 HA PRO A 98 9.652 -3.647 13.543 1.00 1.00 H new ATOM 0 HB2 PRO A 98 10.438 -6.269 13.963 1.00 1.00 H new ATOM 0 HB3 PRO A 98 10.030 -5.626 12.385 1.00 1.00 H new ATOM 0 HG2 PRO A 98 12.689 -6.330 13.468 1.00 1.00 H new ATOM 0 HG3 PRO A 98 12.211 -6.098 11.799 1.00 1.00 H new ATOM 0 HD2 PRO A 98 13.681 -4.256 13.436 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.104 -3.978 11.804 1.00 1.00 H new ATOM 1428 N MET A 99 9.383 -4.305 15.903 1.00 1.00 N ATOM 1429 CA MET A 99 9.215 -4.332 17.346 1.00 1.00 C ATOM 1430 C MET A 99 7.769 -4.016 17.735 1.00 1.00 C ATOM 1431 O MET A 99 6.887 -3.978 16.880 1.00 1.00 O ATOM 1432 CB MET A 99 10.152 -3.308 17.989 1.00 1.00 C ATOM 1433 CG MET A 99 11.376 -3.994 18.601 1.00 1.00 C ATOM 1434 SD MET A 99 11.229 -4.029 20.379 1.00 1.00 S ATOM 1435 CE MET A 99 12.585 -2.957 20.824 1.00 1.00 C ATOM 0 H MET A 99 8.523 -4.438 15.371 1.00 1.00 H new ATOM 0 HA MET A 99 9.458 -5.333 17.703 1.00 1.00 H new ATOM 0 HB2 MET A 99 10.473 -2.583 17.241 1.00 1.00 H new ATOM 0 HB3 MET A 99 9.617 -2.754 18.761 1.00 1.00 H new ATOM 0 HG2 MET A 99 11.465 -5.009 18.215 1.00 1.00 H new ATOM 0 HG3 MET A 99 12.283 -3.463 18.313 1.00 1.00 H new ATOM 0 HE1 MET A 99 12.637 -2.868 21.909 1.00 1.00 H new ATOM 0 HE2 MET A 99 13.519 -3.376 20.449 1.00 1.00 H new ATOM 0 HE3 MET A 99 12.428 -1.971 20.386 1.00 1.00 H new ATOM 1445 N SER A 100 7.573 -3.797 19.027 1.00 1.00 N ATOM 1446 CA SER A 100 6.250 -3.487 19.541 1.00 1.00 C ATOM 1447 C SER A 100 6.094 -1.973 19.702 1.00 1.00 C ATOM 1448 O SER A 100 7.050 -1.222 19.509 1.00 1.00 O ATOM 1449 CB SER A 100 5.997 -4.191 20.875 1.00 1.00 C ATOM 1450 OG SER A 100 4.623 -4.523 21.051 1.00 1.00 O ATOM 0 H SER A 100 8.308 -3.828 19.733 1.00 1.00 H new ATOM 0 HA SER A 100 5.512 -3.849 18.825 1.00 1.00 H new ATOM 0 HB2 SER A 100 6.599 -5.099 20.926 1.00 1.00 H new ATOM 0 HB3 SER A 100 6.322 -3.547 21.692 1.00 1.00 H new ATOM 0 HG SER A 100 4.503 -4.972 21.914 1.00 1.00 H new ATOM 1456 N VAL A 101 4.882 -1.569 20.053 1.00 1.00 N ATOM 1457 CA VAL A 101 4.589 -0.159 20.243 1.00 1.00 C ATOM 1458 C VAL A 101 3.875 0.034 21.582 1.00 1.00 C ATOM 1459 O VAL A 101 4.516 0.091 22.629 1.00 1.00 O ATOM 1460 CB VAL A 101 3.783 0.372 19.054 1.00 1.00 C ATOM 1461 CG1 VAL A 101 4.709 0.785 17.907 1.00 1.00 C ATOM 1462 CG2 VAL A 101 2.753 -0.656 18.586 1.00 1.00 C ATOM 0 H VAL A 101 4.091 -2.194 20.211 1.00 1.00 H new ATOM 0 HA VAL A 101 5.511 0.421 20.280 1.00 1.00 H new ATOM 0 HB VAL A 101 3.242 1.259 19.384 1.00 1.00 H new ATOM 0 HG11 VAL A 101 4.113 1.159 17.075 1.00 1.00 H new ATOM 0 HG12 VAL A 101 5.385 1.568 18.249 1.00 1.00 H new ATOM 0 HG13 VAL A 101 5.289 -0.078 17.579 1.00 1.00 H new ATOM 0 HG21 VAL A 101 2.195 -0.253 17.741 1.00 1.00 H new ATOM 0 HG22 VAL A 101 3.263 -1.570 18.281 1.00 1.00 H new ATOM 0 HG23 VAL A 101 2.065 -0.879 19.402 1.00 1.00 H new ATOM 1472 N GLU A 102 2.554 0.129 21.504 1.00 1.00 N ATOM 1473 CA GLU A 102 1.747 0.315 22.697 1.00 1.00 C ATOM 1474 C GLU A 102 1.541 1.805 22.974 1.00 1.00 C ATOM 1475 O GLU A 102 1.223 2.194 24.096 1.00 1.00 O ATOM 1476 CB GLU A 102 2.380 -0.383 23.902 1.00 1.00 C ATOM 1477 CG GLU A 102 1.307 -0.941 24.839 1.00 1.00 C ATOM 1478 CD GLU A 102 1.937 -1.751 25.975 1.00 1.00 C ATOM 1479 OE1 GLU A 102 2.935 -2.447 25.690 1.00 1.00 O ATOM 1480 OE2 GLU A 102 1.406 -1.654 27.102 1.00 1.00 O ATOM 0 H GLU A 102 2.024 0.081 20.634 1.00 1.00 H new ATOM 0 HA GLU A 102 0.772 -0.140 22.525 1.00 1.00 H new ATOM 0 HB2 GLU A 102 3.026 -1.192 23.560 1.00 1.00 H new ATOM 0 HB3 GLU A 102 3.011 0.321 24.444 1.00 1.00 H new ATOM 0 HG2 GLU A 102 0.720 -0.122 25.254 1.00 1.00 H new ATOM 0 HG3 GLU A 102 0.620 -1.572 24.276 1.00 1.00 H new ATOM 1487 N ASP A 103 1.730 2.600 21.929 1.00 1.00 N ATOM 1488 CA ASP A 103 1.569 4.038 22.045 1.00 1.00 C ATOM 1489 C ASP A 103 0.429 4.496 21.132 1.00 1.00 C ATOM 1490 O ASP A 103 -0.052 5.620 21.250 1.00 1.00 O ATOM 1491 CB ASP A 103 2.842 4.772 21.615 1.00 1.00 C ATOM 1492 CG ASP A 103 2.918 6.239 22.042 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.918 6.714 22.620 1.00 1.00 O ATOM 1494 OD2 ASP A 103 3.976 6.851 21.780 1.00 1.00 O ATOM 0 H ASP A 103 1.993 2.274 20.999 1.00 1.00 H new ATOM 0 HA ASP A 103 1.354 4.269 23.088 1.00 1.00 H new ATOM 0 HB2 ASP A 103 3.703 4.245 22.025 1.00 1.00 H new ATOM 0 HB3 ASP A 103 2.924 4.721 20.529 1.00 1.00 H new ATOM 1499 N CYS A 104 0.031 3.597 20.242 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.043 3.895 19.309 1.00 1.00 C ATOM 1501 C CYS A 104 -2.371 3.533 19.976 1.00 1.00 C ATOM 1502 O CYS A 104 -2.491 2.479 20.599 1.00 1.00 O ATOM 1503 CB CYS A 104 -0.854 3.162 17.978 1.00 1.00 C ATOM 1504 SG CYS A 104 0.797 3.366 17.218 1.00 1.00 S ATOM 0 H CYS A 104 0.432 2.664 20.148 1.00 1.00 H new ATOM 0 HA CYS A 104 -1.036 4.958 19.068 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.037 2.099 18.135 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -1.608 3.515 17.275 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.336 4.428 19.823 1.00 1.00 N ATOM 1510 CA HIS A 105 -4.652 4.218 20.403 1.00 1.00 C ATOM 1511 C HIS A 105 -5.555 3.520 19.385 1.00 1.00 C ATOM 1512 O HIS A 105 -5.149 3.286 18.247 1.00 1.00 O ATOM 1513 CB HIS A 105 -5.239 5.535 20.913 1.00 1.00 C ATOM 1514 CG HIS A 105 -4.952 6.721 20.023 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -3.866 7.543 19.956 1.00 1.00 N flip ATOM 1516 CD2 HIS A 105 -5.842 7.171 19.064 1.00 1.00 C flip ATOM 1517 CE1 HIS A 105 -4.080 8.446 19.008 1.00 1.00 C flip ATOM 1518 NE2 HIS A 105 -5.305 8.217 18.453 1.00 1.00 N flip ATOM 0 H HIS A 105 -3.233 5.301 19.305 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.570 3.565 21.272 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -6.318 5.424 21.016 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -4.843 5.736 21.908 1.00 1.00 H new ATOM 0 HD1 HIS A 105 -3.030 7.475 20.537 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -6.810 6.743 18.850 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -3.397 9.233 18.723 1.00 1.00 H new ATOM 1526 N TYR A 106 -6.764 3.210 19.829 1.00 1.00 N ATOM 1527 CA TYR A 106 -7.730 2.545 18.970 1.00 1.00 C ATOM 1528 C TYR A 106 -9.042 3.329 18.910 1.00 1.00 C ATOM 1529 O TYR A 106 -9.712 3.345 17.879 1.00 1.00 O ATOM 1530 CB TYR A 106 -7.993 1.180 19.610 1.00 1.00 C ATOM 1531 CG TYR A 106 -6.897 0.146 19.345 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -6.870 -0.540 18.147 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -5.936 -0.101 20.303 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -5.839 -1.513 17.898 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -4.904 -1.074 20.054 1.00 1.00 C ATOM 1536 CZ TYR A 106 -4.907 -1.732 18.864 1.00 1.00 C ATOM 1537 OH TYR A 106 -3.932 -2.652 18.628 1.00 1.00 O ATOM 0 H TYR A 106 -7.097 3.407 20.773 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.347 2.463 17.953 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -8.102 1.310 20.687 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -8.941 0.792 19.238 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -7.622 -0.346 17.397 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -5.957 0.435 21.240 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -5.806 -2.057 16.965 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -4.145 -1.276 20.795 1.00 1.00 H new ATOM 0 HH TYR A 106 -3.336 -2.703 19.404 1.00 1.00 H new TER 1547 TYR A 106