USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 972 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 38 ASN : amide:sc= -0.0498 K(o=-1.3,f=-0.67) USER MOD Set 1.2: A 84 HIS : no HE2:sc= -1.24 K(o=-1.3,f=-0.67) USER MOD Single : A 1 GLY N :NH3+ -152:sc= -0.0195 (180deg=-0.615) USER MOD Single : A 4 ASN : amide:sc= -2.61 K(o=-2.6,f=-0.5) USER MOD Single : A 8 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.013) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -39:sc= 0.214 USER MOD Single : A 25 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 143:sc= 1.49 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -177:sc= -0.649 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 54:sc= 0.706 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -7.63! C(o=-7.6!,f=-10!) USER MOD Single : A 68 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.31) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.17 X(o=0.17,f=-0.29) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.443 USER MOD Single : A 98 THR OG1 : rot 94:sc= 0.307 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 61:sc= 0.23 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.401 -20.656 -12.073 1.00 0.00 N ATOM 2 CA GLY A 1 -1.459 -21.294 -11.243 1.00 0.00 C ATOM 3 C GLY A 1 -2.353 -20.278 -10.557 1.00 0.00 C ATOM 4 O GLY A 1 -3.523 -20.140 -10.915 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.141 -21.293 -12.853 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.758 -19.760 -12.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.436 -20.469 -11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.068 -21.942 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.992 -21.929 -10.490 1.00 0.00 H new ATOM 10 N PRO A 2 -1.826 -19.545 -9.559 1.00 0.00 N ATOM 11 CA PRO A 2 -2.597 -18.533 -8.828 1.00 0.00 C ATOM 12 C PRO A 2 -3.215 -17.492 -9.755 1.00 0.00 C ATOM 13 O PRO A 2 -2.827 -17.373 -10.918 1.00 0.00 O ATOM 14 CB PRO A 2 -1.560 -17.880 -7.911 1.00 0.00 C ATOM 15 CG PRO A 2 -0.488 -18.902 -7.759 1.00 0.00 C ATOM 16 CD PRO A 2 -0.441 -19.647 -9.063 1.00 0.00 C ATOM 0 HA PRO A 2 -3.438 -18.975 -8.294 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.170 -16.960 -8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.995 -17.617 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.472 -18.432 -7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.706 -19.577 -6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.270 -19.199 -9.758 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.139 -20.685 -8.923 1.00 0.00 H new ATOM 24 N VAL A 3 -4.177 -16.740 -9.232 1.00 0.00 N ATOM 25 CA VAL A 3 -4.853 -15.706 -10.009 1.00 0.00 C ATOM 26 C VAL A 3 -5.037 -14.438 -9.184 1.00 0.00 C ATOM 27 O VAL A 3 -5.772 -14.434 -8.195 1.00 0.00 O ATOM 28 CB VAL A 3 -6.231 -16.182 -10.509 1.00 0.00 C ATOM 29 CG1 VAL A 3 -6.800 -15.198 -11.521 1.00 0.00 C ATOM 30 CG2 VAL A 3 -6.135 -17.575 -11.111 1.00 0.00 C ATOM 0 H VAL A 3 -4.507 -16.827 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.219 -15.493 -10.870 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.907 -16.228 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.773 -15.550 -11.863 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.912 -14.220 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.123 -15.119 -12.372 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.119 -17.890 -11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.442 -17.561 -11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.775 -18.274 -10.356 1.00 0.00 H new ATOM 40 N ASN A 4 -4.364 -13.366 -9.595 1.00 0.00 N ATOM 41 CA ASN A 4 -4.450 -12.087 -8.896 1.00 0.00 C ATOM 42 C ASN A 4 -3.913 -12.209 -7.469 1.00 0.00 C ATOM 43 O ASN A 4 -4.575 -12.776 -6.601 1.00 0.00 O ATOM 44 CB ASN A 4 -5.898 -11.589 -8.869 1.00 0.00 C ATOM 45 CG ASN A 4 -5.990 -10.075 -8.853 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.419 -9.457 -9.826 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.584 -9.471 -7.742 1.00 0.00 N ATOM 0 H ASN A 4 -3.752 -13.358 -10.411 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.837 -11.365 -9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.427 -11.973 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.401 -11.990 -7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.621 -8.454 -7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.235 -10.024 -6.959 1.00 0.00 H new ATOM 54 N PRO A 5 -2.701 -11.679 -7.207 1.00 0.00 N ATOM 55 CA PRO A 5 -2.084 -11.741 -5.877 1.00 0.00 C ATOM 56 C PRO A 5 -3.033 -11.297 -4.767 1.00 0.00 C ATOM 57 O PRO A 5 -2.979 -11.813 -3.651 1.00 0.00 O ATOM 58 CB PRO A 5 -0.905 -10.773 -5.990 1.00 0.00 C ATOM 59 CG PRO A 5 -0.548 -10.785 -7.434 1.00 0.00 C ATOM 60 CD PRO A 5 -1.838 -10.981 -8.182 1.00 0.00 C ATOM 0 HA PRO A 5 -1.798 -12.759 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.180 -9.772 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.067 -11.095 -5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.068 -9.851 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.156 -11.587 -7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.271 -10.030 -8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.692 -11.574 -9.085 1.00 0.00 H new ATOM 68 N ALA A 6 -3.900 -10.340 -5.081 1.00 0.00 N ATOM 69 CA ALA A 6 -4.859 -9.831 -4.109 1.00 0.00 C ATOM 70 C ALA A 6 -5.921 -10.877 -3.783 1.00 0.00 C ATOM 71 O ALA A 6 -6.338 -11.016 -2.633 1.00 0.00 O ATOM 72 CB ALA A 6 -5.511 -8.558 -4.629 1.00 0.00 C ATOM 0 H ALA A 6 -3.958 -9.902 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.320 -9.602 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.225 -8.188 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.745 -7.802 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.030 -8.771 -5.564 1.00 0.00 H new ATOM 78 N GLU A 7 -6.355 -11.610 -4.804 1.00 0.00 N ATOM 79 CA GLU A 7 -7.369 -12.644 -4.629 1.00 0.00 C ATOM 80 C GLU A 7 -6.800 -13.850 -3.886 1.00 0.00 C ATOM 81 O GLU A 7 -7.419 -14.366 -2.957 1.00 0.00 O ATOM 82 CB GLU A 7 -7.919 -13.081 -5.988 1.00 0.00 C ATOM 83 CG GLU A 7 -9.381 -13.493 -5.948 1.00 0.00 C ATOM 84 CD GLU A 7 -9.820 -14.204 -7.214 1.00 0.00 C ATOM 85 OE1 GLU A 7 -9.700 -15.446 -7.269 1.00 0.00 O ATOM 86 OE2 GLU A 7 -10.284 -13.519 -8.149 1.00 0.00 O ATOM 0 H GLU A 7 -6.020 -11.507 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.179 -12.224 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.800 -12.263 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.325 -13.916 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.547 -14.147 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.000 -12.609 -5.799 1.00 0.00 H new ATOM 93 N ASN A 8 -5.616 -14.290 -4.302 1.00 0.00 N ATOM 94 CA ASN A 8 -4.963 -15.436 -3.679 1.00 0.00 C ATOM 95 C ASN A 8 -4.651 -15.152 -2.213 1.00 0.00 C ATOM 96 O ASN A 8 -4.704 -16.048 -1.370 1.00 0.00 O ATOM 97 CB ASN A 8 -3.676 -15.786 -4.428 1.00 0.00 C ATOM 98 CG ASN A 8 -3.088 -17.110 -3.981 1.00 0.00 C ATOM 99 OD1 ASN A 8 -1.899 -17.204 -3.678 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.920 -18.144 -3.939 1.00 0.00 N ATOM 0 H ASN A 8 -5.089 -13.870 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.646 -16.284 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.881 -15.825 -5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.942 -14.995 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.580 -19.060 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.899 -18.022 -4.199 1.00 0.00 H new ATOM 107 N PHE A 9 -4.327 -13.897 -1.918 1.00 0.00 N ATOM 108 CA PHE A 9 -4.006 -13.488 -0.556 1.00 0.00 C ATOM 109 C PHE A 9 -5.253 -13.510 0.325 1.00 0.00 C ATOM 110 O PHE A 9 -5.233 -14.050 1.432 1.00 0.00 O ATOM 111 CB PHE A 9 -3.378 -12.088 -0.563 1.00 0.00 C ATOM 112 CG PHE A 9 -3.785 -11.221 0.596 1.00 0.00 C ATOM 113 CD1 PHE A 9 -3.205 -11.391 1.843 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.745 -10.235 0.437 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.578 -10.597 2.910 1.00 0.00 C ATOM 116 CE2 PHE A 9 -5.122 -9.436 1.500 1.00 0.00 C ATOM 117 CZ PHE A 9 -4.537 -9.617 2.738 1.00 0.00 C ATOM 0 H PHE A 9 -4.280 -13.145 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.287 -14.195 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.293 -12.189 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.650 -11.585 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.453 -12.153 1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.204 -10.089 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.121 -10.742 3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.873 -8.672 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.829 -8.994 3.570 1.00 0.00 H new ATOM 127 N ARG A 10 -6.335 -12.921 -0.175 1.00 0.00 N ATOM 128 CA ARG A 10 -7.591 -12.868 0.566 1.00 0.00 C ATOM 129 C ARG A 10 -8.122 -14.270 0.846 1.00 0.00 C ATOM 130 O ARG A 10 -8.675 -14.531 1.914 1.00 0.00 O ATOM 131 CB ARG A 10 -8.632 -12.061 -0.211 1.00 0.00 C ATOM 132 CG ARG A 10 -8.610 -10.574 0.107 1.00 0.00 C ATOM 133 CD ARG A 10 -9.527 -9.792 -0.820 1.00 0.00 C ATOM 134 NE ARG A 10 -10.920 -9.848 -0.387 1.00 0.00 N ATOM 135 CZ ARG A 10 -11.855 -10.570 -0.998 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.546 -11.296 -2.065 1.00 0.00 N ATOM 137 NH2 ARG A 10 -13.100 -10.568 -0.543 1.00 0.00 N ATOM 0 H ARG A 10 -6.367 -12.473 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.398 -12.377 1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.463 -12.198 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.624 -12.456 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.917 -10.417 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.591 -10.197 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.201 -8.753 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.445 -10.190 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.192 -9.302 0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.589 -11.301 -2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.265 -11.849 -2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.342 -10.012 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.816 -11.122 -1.013 1.00 0.00 H new ATOM 151 N VAL A 11 -7.949 -15.170 -0.117 1.00 0.00 N ATOM 152 CA VAL A 11 -8.417 -16.544 0.031 1.00 0.00 C ATOM 153 C VAL A 11 -7.560 -17.316 1.030 1.00 0.00 C ATOM 154 O VAL A 11 -8.081 -18.030 1.886 1.00 0.00 O ATOM 155 CB VAL A 11 -8.412 -17.291 -1.317 1.00 0.00 C ATOM 156 CG1 VAL A 11 -8.811 -18.747 -1.129 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.337 -16.605 -2.311 1.00 0.00 C ATOM 0 H VAL A 11 -7.489 -14.973 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.440 -16.487 0.402 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.398 -17.266 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.801 -19.255 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.106 -19.233 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.813 -18.798 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.320 -17.146 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.353 -16.596 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.001 -15.581 -2.473 1.00 0.00 H new ATOM 167 N LEU A 12 -6.244 -17.170 0.915 1.00 0.00 N ATOM 168 CA LEU A 12 -5.316 -17.860 1.806 1.00 0.00 C ATOM 169 C LEU A 12 -5.554 -17.477 3.265 1.00 0.00 C ATOM 170 O LEU A 12 -5.291 -18.267 4.171 1.00 0.00 O ATOM 171 CB LEU A 12 -3.872 -17.539 1.416 1.00 0.00 C ATOM 172 CG LEU A 12 -3.191 -18.590 0.538 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.323 -17.924 -0.519 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.362 -19.539 1.390 1.00 0.00 C ATOM 0 H LEU A 12 -5.795 -16.580 0.214 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.491 -18.931 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.857 -16.584 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.285 -17.412 2.326 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.964 -19.168 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.847 -18.688 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.942 -17.286 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.557 -17.320 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.884 -20.280 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.598 -18.975 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.009 -20.043 2.108 1.00 0.00 H new ATOM 186 N VAL A 13 -6.049 -16.263 3.486 1.00 0.00 N ATOM 187 CA VAL A 13 -6.310 -15.786 4.840 1.00 0.00 C ATOM 188 C VAL A 13 -7.767 -16.005 5.245 1.00 0.00 C ATOM 189 O VAL A 13 -8.144 -15.757 6.390 1.00 0.00 O ATOM 190 CB VAL A 13 -5.954 -14.294 5.001 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.468 -14.072 4.762 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.783 -13.435 4.061 1.00 0.00 C ATOM 0 H VAL A 13 -6.276 -15.595 2.750 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.669 -16.372 5.498 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.187 -13.996 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.235 -13.014 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.893 -14.653 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.210 -14.390 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.514 -12.387 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.589 -13.732 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.841 -13.569 4.284 1.00 0.00 H new ATOM 202 N LYS A 14 -8.582 -16.470 4.301 1.00 0.00 N ATOM 203 CA LYS A 14 -9.997 -16.716 4.567 1.00 0.00 C ATOM 204 C LYS A 14 -10.271 -18.198 4.807 1.00 0.00 C ATOM 205 O LYS A 14 -10.851 -18.573 5.826 1.00 0.00 O ATOM 206 CB LYS A 14 -10.849 -16.214 3.400 1.00 0.00 C ATOM 207 CG LYS A 14 -12.269 -15.849 3.798 1.00 0.00 C ATOM 208 CD LYS A 14 -13.244 -16.970 3.476 1.00 0.00 C ATOM 209 CE LYS A 14 -13.894 -16.771 2.117 1.00 0.00 C ATOM 210 NZ LYS A 14 -13.613 -17.905 1.194 1.00 0.00 N ATOM 0 H LYS A 14 -8.288 -16.683 3.348 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.264 -16.171 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.368 -15.341 2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.883 -16.983 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.304 -15.631 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.572 -14.941 3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.720 -17.925 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.015 -17.015 4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.971 -16.664 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.531 -15.844 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.074 -17.730 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.586 -17.992 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.982 -18.786 1.605 1.00 0.00 H new ATOM 224 N GLN A 15 -9.852 -19.036 3.864 1.00 0.00 N ATOM 225 CA GLN A 15 -10.059 -20.478 3.970 1.00 0.00 C ATOM 226 C GLN A 15 -9.312 -21.058 5.168 1.00 0.00 C ATOM 227 O GLN A 15 -9.537 -22.206 5.551 1.00 0.00 O ATOM 228 CB GLN A 15 -9.609 -21.176 2.684 1.00 0.00 C ATOM 229 CG GLN A 15 -8.101 -21.196 2.492 1.00 0.00 C ATOM 230 CD GLN A 15 -7.679 -22.000 1.277 1.00 0.00 C ATOM 231 OE1 GLN A 15 -6.795 -22.852 1.358 1.00 0.00 O ATOM 232 NE2 GLN A 15 -8.313 -21.731 0.141 1.00 0.00 N ATOM 0 H GLN A 15 -9.366 -18.742 3.017 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.125 -20.652 4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.979 -22.201 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.068 -20.676 1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.738 -20.173 2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.631 -21.615 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.040 -21.016 0.120 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.073 -22.240 -0.710 1.00 0.00 H new ATOM 241 N LYS A 16 -8.430 -20.257 5.757 1.00 0.00 N ATOM 242 CA LYS A 16 -7.649 -20.683 6.905 1.00 0.00 C ATOM 243 C LYS A 16 -6.814 -19.520 7.405 1.00 0.00 C ATOM 244 O LYS A 16 -6.163 -18.830 6.619 1.00 0.00 O ATOM 245 CB LYS A 16 -6.748 -21.871 6.544 1.00 0.00 C ATOM 246 CG LYS A 16 -5.552 -21.497 5.683 1.00 0.00 C ATOM 247 CD LYS A 16 -4.569 -22.651 5.566 1.00 0.00 C ATOM 248 CE LYS A 16 -4.361 -23.060 4.118 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.819 -24.442 4.002 1.00 0.00 N ATOM 0 H LYS A 16 -8.240 -19.302 5.452 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.329 -21.007 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.391 -22.336 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.342 -22.619 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.894 -21.206 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.049 -20.631 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.614 -22.363 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.937 -23.503 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.309 -22.996 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.676 -22.360 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.692 -24.682 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.902 -24.497 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.484 -25.113 4.437 1.00 0.00 H new ATOM 263 N LYS A 17 -6.840 -19.288 8.704 1.00 0.00 N ATOM 264 CA LYS A 17 -6.082 -18.192 9.269 1.00 0.00 C ATOM 265 C LYS A 17 -4.623 -18.592 9.460 1.00 0.00 C ATOM 266 O LYS A 17 -4.231 -19.070 10.525 1.00 0.00 O ATOM 267 CB LYS A 17 -6.689 -17.742 10.599 1.00 0.00 C ATOM 268 CG LYS A 17 -6.375 -16.297 10.955 1.00 0.00 C ATOM 269 CD LYS A 17 -6.937 -15.924 12.318 1.00 0.00 C ATOM 270 CE LYS A 17 -6.629 -14.477 12.668 1.00 0.00 C ATOM 271 NZ LYS A 17 -7.239 -14.078 13.967 1.00 0.00 N ATOM 0 H LYS A 17 -7.371 -19.837 9.379 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.124 -17.355 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.771 -17.870 10.557 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.322 -18.391 11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.295 -16.147 10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.791 -15.635 10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.016 -16.079 12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.516 -16.581 13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.549 -14.337 12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.000 -13.825 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.006 -13.085 14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.272 -14.187 13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.866 -14.683 14.726 1.00 0.00 H new ATOM 285 N ALA A 18 -3.826 -18.391 8.417 1.00 0.00 N ATOM 286 CA ALA A 18 -2.410 -18.729 8.459 1.00 0.00 C ATOM 287 C ALA A 18 -1.582 -17.545 8.946 1.00 0.00 C ATOM 288 O ALA A 18 -0.422 -17.388 8.563 1.00 0.00 O ATOM 289 CB ALA A 18 -1.937 -19.181 7.085 1.00 0.00 C ATOM 0 H ALA A 18 -4.138 -17.995 7.530 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.274 -19.549 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.877 -19.431 7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.504 -20.059 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.091 -18.377 6.365 1.00 0.00 H new ATOM 295 N SER A 19 -2.192 -16.717 9.792 1.00 0.00 N ATOM 296 CA SER A 19 -1.526 -15.538 10.342 1.00 0.00 C ATOM 297 C SER A 19 -1.202 -14.524 9.249 1.00 0.00 C ATOM 298 O SER A 19 -0.805 -14.889 8.143 1.00 0.00 O ATOM 299 CB SER A 19 -0.246 -15.940 11.078 1.00 0.00 C ATOM 300 OG SER A 19 -0.433 -17.136 11.815 1.00 0.00 O ATOM 0 H SER A 19 -3.152 -16.842 10.113 1.00 0.00 H new ATOM 0 HA SER A 19 -2.211 -15.070 11.049 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.563 -16.075 10.360 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.057 -15.138 11.752 1.00 0.00 H new ATOM 0 HG SER A 19 0.400 -17.371 12.274 1.00 0.00 H new ATOM 306 N PHE A 20 -1.381 -13.246 9.568 1.00 0.00 N ATOM 307 CA PHE A 20 -1.100 -12.171 8.622 1.00 0.00 C ATOM 308 C PHE A 20 0.400 -11.886 8.569 1.00 0.00 C ATOM 309 O PHE A 20 0.848 -10.791 8.913 1.00 0.00 O ATOM 310 CB PHE A 20 -1.863 -10.906 9.022 1.00 0.00 C ATOM 311 CG PHE A 20 -2.235 -10.032 7.858 1.00 0.00 C ATOM 312 CD1 PHE A 20 -1.341 -9.094 7.366 1.00 0.00 C ATOM 313 CD2 PHE A 20 -3.479 -10.146 7.258 1.00 0.00 C ATOM 314 CE1 PHE A 20 -1.681 -8.287 6.296 1.00 0.00 C ATOM 315 CE2 PHE A 20 -3.824 -9.341 6.189 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.923 -8.411 5.707 1.00 0.00 C ATOM 0 H PHE A 20 -1.720 -12.929 10.476 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.429 -12.484 7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.770 -11.192 9.554 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.254 -10.329 9.718 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.368 -8.992 7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.187 -10.872 7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.975 -7.560 5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.797 -9.439 5.731 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.190 -7.782 4.871 1.00 0.00 H new ATOM 326 N GLU A 21 1.170 -12.879 8.134 1.00 0.00 N ATOM 327 CA GLU A 21 2.620 -12.743 8.046 1.00 0.00 C ATOM 328 C GLU A 21 3.130 -13.162 6.670 1.00 0.00 C ATOM 329 O GLU A 21 3.688 -12.350 5.932 1.00 0.00 O ATOM 330 CB GLU A 21 3.297 -13.582 9.130 1.00 0.00 C ATOM 331 CG GLU A 21 4.269 -12.792 9.992 1.00 0.00 C ATOM 332 CD GLU A 21 4.991 -13.663 11.002 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.885 -14.434 10.591 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.664 -13.573 12.204 1.00 0.00 O ATOM 0 H GLU A 21 0.814 -13.787 7.837 1.00 0.00 H new ATOM 0 HA GLU A 21 2.868 -11.693 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.531 -14.021 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.830 -14.408 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.001 -12.301 9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.727 -12.005 10.517 1.00 0.00 H new ATOM 341 N GLU A 22 2.942 -14.433 6.335 1.00 0.00 N ATOM 342 CA GLU A 22 3.385 -14.955 5.047 1.00 0.00 C ATOM 343 C GLU A 22 2.620 -14.301 3.902 1.00 0.00 C ATOM 344 O GLU A 22 3.207 -13.912 2.892 1.00 0.00 O ATOM 345 CB GLU A 22 3.204 -16.473 4.997 1.00 0.00 C ATOM 346 CG GLU A 22 4.492 -17.246 5.224 1.00 0.00 C ATOM 347 CD GLU A 22 4.265 -18.742 5.323 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.579 -19.177 6.273 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.773 -19.479 4.452 1.00 0.00 O ATOM 0 H GLU A 22 2.487 -15.120 6.936 1.00 0.00 H new ATOM 0 HA GLU A 22 4.443 -14.720 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.475 -16.769 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.790 -16.750 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.183 -17.041 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.967 -16.893 6.140 1.00 0.00 H new ATOM 356 N ALA A 23 1.306 -14.185 4.066 1.00 0.00 N ATOM 357 CA ALA A 23 0.457 -13.577 3.050 1.00 0.00 C ATOM 358 C ALA A 23 0.838 -12.120 2.808 1.00 0.00 C ATOM 359 O ALA A 23 0.852 -11.652 1.669 1.00 0.00 O ATOM 360 CB ALA A 23 -1.005 -13.682 3.457 1.00 0.00 C ATOM 0 H ALA A 23 0.806 -14.505 4.895 1.00 0.00 H new ATOM 0 HA ALA A 23 0.606 -14.120 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.630 -13.224 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.277 -14.732 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.157 -13.165 4.405 1.00 0.00 H new ATOM 366 N SER A 24 1.150 -11.405 3.886 1.00 0.00 N ATOM 367 CA SER A 24 1.531 -10.001 3.786 1.00 0.00 C ATOM 368 C SER A 24 2.901 -9.856 3.133 1.00 0.00 C ATOM 369 O SER A 24 3.054 -9.141 2.142 1.00 0.00 O ATOM 370 CB SER A 24 1.542 -9.352 5.172 1.00 0.00 C ATOM 371 OG SER A 24 2.594 -9.865 5.969 1.00 0.00 O ATOM 0 H SER A 24 1.146 -11.775 4.837 1.00 0.00 H new ATOM 0 HA SER A 24 0.795 -9.494 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.653 -8.272 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.587 -9.529 5.667 1.00 0.00 H new ATOM 0 HG SER A 24 2.680 -10.829 5.816 1.00 0.00 H new ATOM 377 N ASN A 25 3.894 -10.537 3.698 1.00 0.00 N ATOM 378 CA ASN A 25 5.256 -10.490 3.176 1.00 0.00 C ATOM 379 C ASN A 25 5.279 -10.790 1.681 1.00 0.00 C ATOM 380 O ASN A 25 5.883 -10.054 0.899 1.00 0.00 O ATOM 381 CB ASN A 25 6.143 -11.489 3.922 1.00 0.00 C ATOM 382 CG ASN A 25 6.927 -10.839 5.045 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.071 -10.426 4.860 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.313 -10.746 6.219 1.00 0.00 N ATOM 0 H ASN A 25 3.780 -11.130 4.520 1.00 0.00 H new ATOM 0 HA ASN A 25 5.643 -9.483 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.523 -12.287 4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.836 -11.951 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.791 -10.319 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.363 -11.102 6.327 1.00 0.00 H new ATOM 391 N GLN A 26 4.618 -11.876 1.289 1.00 0.00 N ATOM 392 CA GLN A 26 4.561 -12.270 -0.114 1.00 0.00 C ATOM 393 C GLN A 26 3.949 -11.158 -0.958 1.00 0.00 C ATOM 394 O GLN A 26 4.463 -10.819 -2.025 1.00 0.00 O ATOM 395 CB GLN A 26 3.748 -13.557 -0.275 1.00 0.00 C ATOM 396 CG GLN A 26 4.244 -14.453 -1.397 1.00 0.00 C ATOM 397 CD GLN A 26 5.475 -15.248 -1.006 1.00 0.00 C ATOM 398 OE1 GLN A 26 6.593 -14.735 -1.031 1.00 0.00 O ATOM 399 NE2 GLN A 26 5.274 -16.509 -0.643 1.00 0.00 N ATOM 0 H GLN A 26 4.115 -12.497 1.923 1.00 0.00 H new ATOM 0 HA GLN A 26 5.579 -12.451 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.775 -14.113 0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.706 -13.298 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.449 -15.140 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.472 -13.843 -2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.329 -16.894 -0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.064 -17.093 -0.370 1.00 0.00 H new ATOM 408 N LEU A 27 2.844 -10.599 -0.475 1.00 0.00 N ATOM 409 CA LEU A 27 2.164 -9.519 -1.179 1.00 0.00 C ATOM 410 C LEU A 27 3.114 -8.352 -1.427 1.00 0.00 C ATOM 411 O LEU A 27 3.217 -7.851 -2.548 1.00 0.00 O ATOM 412 CB LEU A 27 0.948 -9.041 -0.380 1.00 0.00 C ATOM 413 CG LEU A 27 -0.371 -9.031 -1.154 1.00 0.00 C ATOM 414 CD1 LEU A 27 -1.531 -8.703 -0.226 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.309 -8.034 -2.303 1.00 0.00 C ATOM 0 H LEU A 27 2.401 -10.876 0.401 1.00 0.00 H new ATOM 0 HA LEU A 27 1.826 -9.903 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.833 -9.680 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.145 -8.033 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.533 -10.025 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.462 -8.700 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.589 -9.453 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.374 -7.720 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.256 -8.041 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.123 -7.035 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.497 -8.311 -2.982 1.00 0.00 H new ATOM 427 N ILE A 28 3.805 -7.917 -0.374 1.00 0.00 N ATOM 428 CA ILE A 28 4.748 -6.810 -0.486 1.00 0.00 C ATOM 429 C ILE A 28 5.835 -7.116 -1.511 1.00 0.00 C ATOM 430 O ILE A 28 6.207 -6.253 -2.309 1.00 0.00 O ATOM 431 CB ILE A 28 5.401 -6.488 0.876 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.425 -5.706 1.757 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.691 -5.701 0.686 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.038 -6.436 3.023 1.00 0.00 C ATOM 0 H ILE A 28 3.729 -8.314 0.562 1.00 0.00 H new ATOM 0 HA ILE A 28 4.182 -5.940 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 28 5.646 -7.428 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.874 -4.749 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.524 -5.488 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.133 -5.486 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.391 -6.288 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.474 -4.765 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.344 -5.823 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.560 -7.381 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.930 -6.631 3.618 1.00 0.00 H new ATOM 446 N ASN A 29 6.343 -8.346 -1.489 1.00 0.00 N ATOM 447 CA ASN A 29 7.384 -8.757 -2.422 1.00 0.00 C ATOM 448 C ASN A 29 6.884 -8.640 -3.854 1.00 0.00 C ATOM 449 O ASN A 29 7.585 -8.128 -4.729 1.00 0.00 O ATOM 450 CB ASN A 29 7.822 -10.195 -2.135 1.00 0.00 C ATOM 451 CG ASN A 29 9.272 -10.442 -2.506 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.571 -10.937 -3.593 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.181 -10.098 -1.601 1.00 0.00 N ATOM 0 H ASN A 29 6.050 -9.073 -0.836 1.00 0.00 H new ATOM 0 HA ASN A 29 8.243 -8.098 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.679 -10.411 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.185 -10.884 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.172 -10.241 -1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.888 -9.691 -0.713 1.00 0.00 H new ATOM 460 N HIS A 30 5.666 -9.121 -4.087 1.00 0.00 N ATOM 461 CA HIS A 30 5.062 -9.057 -5.411 1.00 0.00 C ATOM 462 C HIS A 30 5.013 -7.613 -5.887 1.00 0.00 C ATOM 463 O HIS A 30 5.382 -7.306 -7.021 1.00 0.00 O ATOM 464 CB HIS A 30 3.653 -9.652 -5.387 1.00 0.00 C ATOM 465 CG HIS A 30 3.603 -11.087 -5.813 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.247 -12.098 -5.133 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.979 -11.678 -6.860 1.00 0.00 C ATOM 468 CE1 HIS A 30 4.022 -13.249 -5.741 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.255 -13.022 -6.791 1.00 0.00 N ATOM 0 H HIS A 30 5.080 -9.559 -3.376 1.00 0.00 H new ATOM 0 HA HIS A 30 5.671 -9.640 -6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.248 -9.566 -4.379 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.008 -9.065 -6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.377 -11.185 -7.609 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.401 -14.212 -5.432 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.921 -13.730 -7.445 1.00 0.00 H new ATOM 478 N ILE A 31 4.549 -6.728 -5.007 1.00 0.00 N ATOM 479 CA ILE A 31 4.467 -5.309 -5.326 1.00 0.00 C ATOM 480 C ILE A 31 5.837 -4.782 -5.737 1.00 0.00 C ATOM 481 O ILE A 31 5.977 -4.117 -6.765 1.00 0.00 O ATOM 482 CB ILE A 31 3.943 -4.485 -4.132 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.529 -4.932 -3.754 1.00 0.00 C ATOM 484 CG2 ILE A 31 3.963 -2.999 -4.462 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.037 -4.348 -2.446 1.00 0.00 C ATOM 0 H ILE A 31 4.225 -6.970 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 31 3.764 -5.201 -6.152 1.00 0.00 H new ATOM 0 HB ILE A 31 4.598 -4.657 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.842 -4.647 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.507 -6.020 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.590 -2.432 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.984 -2.690 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.329 -2.810 -5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.029 -4.709 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.701 -4.654 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.026 -3.260 -2.514 1.00 0.00 H new ATOM 497 N GLU A 32 6.845 -5.084 -4.921 1.00 0.00 N ATOM 498 CA GLU A 32 8.211 -4.655 -5.198 1.00 0.00 C ATOM 499 C GLU A 32 8.642 -5.098 -6.593 1.00 0.00 C ATOM 500 O GLU A 32 9.228 -4.322 -7.348 1.00 0.00 O ATOM 501 CB GLU A 32 9.170 -5.221 -4.151 1.00 0.00 C ATOM 502 CG GLU A 32 9.258 -4.380 -2.888 1.00 0.00 C ATOM 503 CD GLU A 32 10.178 -4.987 -1.846 1.00 0.00 C ATOM 504 OE1 GLU A 32 9.696 -5.802 -1.032 1.00 0.00 O ATOM 505 OE2 GLU A 32 11.379 -4.645 -1.843 1.00 0.00 O ATOM 0 H GLU A 32 6.740 -5.625 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 32 8.242 -3.566 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.850 -6.229 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.164 -5.307 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.614 -3.382 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.261 -4.263 -2.463 1.00 0.00 H new ATOM 512 N GLN A 33 8.350 -6.352 -6.923 1.00 0.00 N ATOM 513 CA GLN A 33 8.699 -6.897 -8.230 1.00 0.00 C ATOM 514 C GLN A 33 8.034 -6.086 -9.334 1.00 0.00 C ATOM 515 O GLN A 33 8.665 -5.744 -10.333 1.00 0.00 O ATOM 516 CB GLN A 33 8.275 -8.363 -8.328 1.00 0.00 C ATOM 517 CG GLN A 33 9.355 -9.339 -7.886 1.00 0.00 C ATOM 518 CD GLN A 33 8.875 -10.777 -7.881 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.103 -11.183 -7.013 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.331 -11.556 -8.856 1.00 0.00 N ATOM 0 H GLN A 33 7.874 -7.009 -6.305 1.00 0.00 H new ATOM 0 HA GLN A 33 9.781 -6.838 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.385 -8.517 -7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.996 -8.584 -9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.215 -9.249 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.695 -9.070 -6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.970 -11.177 -9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.042 -12.533 -8.906 1.00 0.00 H new ATOM 529 N PHE A 34 6.749 -5.801 -9.152 1.00 0.00 N ATOM 530 CA PHE A 34 5.996 -5.015 -10.122 1.00 0.00 C ATOM 531 C PHE A 34 6.677 -3.675 -10.384 1.00 0.00 C ATOM 532 O PHE A 34 6.603 -3.138 -11.489 1.00 0.00 O ATOM 533 CB PHE A 34 4.566 -4.784 -9.624 1.00 0.00 C ATOM 534 CG PHE A 34 3.635 -5.927 -9.913 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.407 -6.343 -11.216 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.987 -6.585 -8.880 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.550 -7.393 -11.482 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.129 -7.636 -9.140 1.00 0.00 C ATOM 539 CZ PHE A 34 1.910 -8.042 -10.443 1.00 0.00 C ATOM 0 H PHE A 34 6.208 -6.103 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 34 5.963 -5.574 -11.057 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.589 -4.608 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.171 -3.879 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.905 -5.840 -12.032 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.155 -6.273 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.380 -7.707 -12.501 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.630 -8.140 -8.326 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.241 -8.864 -10.649 1.00 0.00 H new ATOM 549 N LEU A 35 7.340 -3.139 -9.362 1.00 0.00 N ATOM 550 CA LEU A 35 8.034 -1.859 -9.486 1.00 0.00 C ATOM 551 C LEU A 35 9.297 -1.995 -10.333 1.00 0.00 C ATOM 552 O LEU A 35 9.828 -1.003 -10.835 1.00 0.00 O ATOM 553 CB LEU A 35 8.392 -1.315 -8.101 1.00 0.00 C ATOM 554 CG LEU A 35 7.234 -0.665 -7.342 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.384 -0.888 -5.845 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.161 0.821 -7.656 1.00 0.00 C ATOM 0 H LEU A 35 7.411 -3.570 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 35 7.362 -1.160 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.789 -2.132 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.191 -0.582 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 35 6.304 -1.132 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.551 -0.418 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.388 -1.958 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.321 -0.448 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.332 1.268 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.093 1.302 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.006 0.960 -8.726 1.00 0.00 H new ATOM 568 N ASP A 36 9.769 -3.227 -10.490 1.00 0.00 N ATOM 569 CA ASP A 36 10.971 -3.492 -11.276 1.00 0.00 C ATOM 570 C ASP A 36 10.732 -3.185 -12.751 1.00 0.00 C ATOM 571 O ASP A 36 11.663 -3.186 -13.556 1.00 0.00 O ATOM 572 CB ASP A 36 11.409 -4.948 -11.110 1.00 0.00 C ATOM 573 CG ASP A 36 12.832 -5.181 -11.581 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.767 -4.922 -10.794 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.010 -5.620 -12.736 1.00 0.00 O ATOM 0 H ASP A 36 9.339 -4.058 -10.084 1.00 0.00 H new ATOM 0 HA ASP A 36 11.764 -2.841 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.325 -5.232 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.733 -5.594 -11.670 1.00 0.00 H new ATOM 580 N THR A 37 9.475 -2.924 -13.096 1.00 0.00 N ATOM 581 CA THR A 37 9.104 -2.610 -14.468 1.00 0.00 C ATOM 582 C THR A 37 8.356 -1.283 -14.530 1.00 0.00 C ATOM 583 O THR A 37 7.224 -1.173 -14.061 1.00 0.00 O ATOM 584 CB THR A 37 8.223 -3.715 -15.081 1.00 0.00 C ATOM 585 OG1 THR A 37 8.097 -4.808 -14.163 1.00 0.00 O ATOM 586 CG2 THR A 37 8.814 -4.213 -16.391 1.00 0.00 C ATOM 0 H THR A 37 8.694 -2.924 -12.440 1.00 0.00 H new ATOM 0 HA THR A 37 10.027 -2.538 -15.044 1.00 0.00 H new ATOM 0 HB THR A 37 7.238 -3.294 -15.281 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.189 -5.174 -14.212 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.175 -4.993 -16.805 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.882 -3.386 -17.097 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.810 -4.618 -16.210 1.00 0.00 H new ATOM 594 N ASN A 38 9.003 -0.280 -15.109 1.00 0.00 N ATOM 595 CA ASN A 38 8.410 1.047 -15.232 1.00 0.00 C ATOM 596 C ASN A 38 7.404 1.095 -16.380 1.00 0.00 C ATOM 597 O ASN A 38 7.605 1.806 -17.365 1.00 0.00 O ATOM 598 CB ASN A 38 9.501 2.097 -15.449 1.00 0.00 C ATOM 599 CG ASN A 38 9.025 3.499 -15.122 1.00 0.00 C ATOM 600 OD1 ASN A 38 8.508 4.208 -15.985 1.00 0.00 O ATOM 601 ND2 ASN A 38 9.199 3.905 -13.870 1.00 0.00 N ATOM 0 H ASN A 38 9.941 -0.360 -15.502 1.00 0.00 H new ATOM 0 HA ASN A 38 7.882 1.267 -14.304 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.364 1.855 -14.828 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.835 2.062 -16.486 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.899 4.839 -13.590 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.632 3.283 -13.188 1.00 0.00 H new ATOM 608 N GLU A 39 6.321 0.337 -16.243 1.00 0.00 N ATOM 609 CA GLU A 39 5.280 0.296 -17.264 1.00 0.00 C ATOM 610 C GLU A 39 3.980 0.893 -16.736 1.00 0.00 C ATOM 611 O GLU A 39 3.673 0.783 -15.549 1.00 0.00 O ATOM 612 CB GLU A 39 5.045 -1.144 -17.724 1.00 0.00 C ATOM 613 CG GLU A 39 5.942 -1.569 -18.876 1.00 0.00 C ATOM 614 CD GLU A 39 5.493 -0.996 -20.206 1.00 0.00 C ATOM 615 OE1 GLU A 39 5.886 0.147 -20.522 1.00 0.00 O ATOM 616 OE2 GLU A 39 4.750 -1.690 -20.931 1.00 0.00 O ATOM 0 H GLU A 39 6.141 -0.258 -15.434 1.00 0.00 H new ATOM 0 HA GLU A 39 5.614 0.891 -18.114 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.206 -1.817 -16.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.003 -1.255 -18.025 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.964 -1.249 -18.673 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.955 -2.657 -18.939 1.00 0.00 H new ATOM 623 N THR A 40 3.220 1.523 -17.626 1.00 0.00 N ATOM 624 CA THR A 40 1.953 2.140 -17.251 1.00 0.00 C ATOM 625 C THR A 40 0.965 1.111 -16.690 1.00 0.00 C ATOM 626 O THR A 40 0.392 1.324 -15.621 1.00 0.00 O ATOM 627 CB THR A 40 1.304 2.869 -18.444 1.00 0.00 C ATOM 628 OG1 THR A 40 2.295 3.619 -19.157 1.00 0.00 O ATOM 629 CG2 THR A 40 0.200 3.802 -17.972 1.00 0.00 C ATOM 0 H THR A 40 3.460 1.620 -18.613 1.00 0.00 H new ATOM 0 HA THR A 40 2.183 2.867 -16.473 1.00 0.00 H new ATOM 0 HB THR A 40 0.868 2.120 -19.106 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.876 4.078 -19.915 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.243 4.305 -18.831 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.567 3.226 -17.454 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.617 4.545 -17.292 1.00 0.00 H new ATOM 637 N PRO A 41 0.746 -0.019 -17.396 1.00 0.00 N ATOM 638 CA PRO A 41 -0.183 -1.057 -16.940 1.00 0.00 C ATOM 639 C PRO A 41 0.368 -1.864 -15.768 1.00 0.00 C ATOM 640 O PRO A 41 -0.348 -2.659 -15.160 1.00 0.00 O ATOM 641 CB PRO A 41 -0.348 -1.948 -18.170 1.00 0.00 C ATOM 642 CG PRO A 41 0.928 -1.793 -18.920 1.00 0.00 C ATOM 643 CD PRO A 41 1.379 -0.376 -18.685 1.00 0.00 C ATOM 0 HA PRO A 41 -1.117 -0.632 -16.573 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.518 -2.987 -17.887 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.202 -1.638 -18.772 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.676 -2.504 -18.568 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.781 -1.984 -19.983 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.465 -0.305 -18.632 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.055 0.286 -19.488 1.00 0.00 H new ATOM 651 N TYR A 42 1.644 -1.654 -15.457 1.00 0.00 N ATOM 652 CA TYR A 42 2.287 -2.367 -14.358 1.00 0.00 C ATOM 653 C TYR A 42 2.036 -1.667 -13.027 1.00 0.00 C ATOM 654 O TYR A 42 1.955 -2.312 -11.981 1.00 0.00 O ATOM 655 CB TYR A 42 3.790 -2.489 -14.611 1.00 0.00 C ATOM 656 CG TYR A 42 4.203 -3.834 -15.168 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.891 -4.191 -16.474 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.902 -4.745 -14.387 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.265 -5.419 -16.986 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.279 -5.975 -14.893 1.00 0.00 C ATOM 661 CZ TYR A 42 4.958 -6.307 -16.192 1.00 0.00 C ATOM 662 OH TYR A 42 5.332 -7.530 -16.699 1.00 0.00 O ATOM 0 H TYR A 42 2.251 -0.998 -15.949 1.00 0.00 H new ATOM 0 HA TYR A 42 1.853 -3.365 -14.306 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.098 -1.707 -15.306 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.323 -2.313 -13.677 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.348 -3.498 -17.099 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.155 -4.489 -13.369 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.015 -5.681 -18.003 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.823 -6.673 -14.273 1.00 0.00 H new ATOM 0 HH TYR A 42 5.813 -8.036 -16.011 1.00 0.00 H new ATOM 672 N PHE A 43 1.915 -0.342 -13.068 1.00 0.00 N ATOM 673 CA PHE A 43 1.669 0.437 -11.861 1.00 0.00 C ATOM 674 C PHE A 43 0.212 0.315 -11.431 1.00 0.00 C ATOM 675 O PHE A 43 -0.133 0.582 -10.278 1.00 0.00 O ATOM 676 CB PHE A 43 2.032 1.907 -12.085 1.00 0.00 C ATOM 677 CG PHE A 43 3.491 2.200 -11.880 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.037 2.202 -10.606 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.316 2.473 -12.959 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.379 2.471 -10.413 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.659 2.742 -12.772 1.00 0.00 C ATOM 682 CZ PHE A 43 6.190 2.741 -11.498 1.00 0.00 C ATOM 0 H PHE A 43 1.983 0.211 -13.922 1.00 0.00 H new ATOM 0 HA PHE A 43 2.300 0.040 -11.066 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.751 2.192 -13.099 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.446 2.526 -11.405 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.407 1.991 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.905 2.476 -13.958 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.793 2.470 -9.415 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.292 2.953 -13.621 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.239 2.951 -11.350 1.00 0.00 H new ATOM 692 N MET A 44 -0.642 -0.090 -12.367 1.00 0.00 N ATOM 693 CA MET A 44 -2.061 -0.258 -12.084 1.00 0.00 C ATOM 694 C MET A 44 -2.280 -1.452 -11.164 1.00 0.00 C ATOM 695 O MET A 44 -3.217 -1.474 -10.364 1.00 0.00 O ATOM 696 CB MET A 44 -2.846 -0.446 -13.384 1.00 0.00 C ATOM 697 CG MET A 44 -3.045 0.842 -14.167 1.00 0.00 C ATOM 698 SD MET A 44 -3.977 0.592 -15.690 1.00 0.00 S ATOM 699 CE MET A 44 -3.977 2.253 -16.361 1.00 0.00 C ATOM 0 H MET A 44 -0.375 -0.307 -13.327 1.00 0.00 H new ATOM 0 HA MET A 44 -2.422 0.641 -11.584 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.323 -1.167 -14.013 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.821 -0.874 -13.151 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.567 1.566 -13.541 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.072 1.271 -14.407 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.518 2.263 -17.307 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.463 2.929 -15.658 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.950 2.579 -16.527 1.00 0.00 H new ATOM 709 N LYS A 45 -1.403 -2.446 -11.285 1.00 0.00 N ATOM 710 CA LYS A 45 -1.486 -3.645 -10.463 1.00 0.00 C ATOM 711 C LYS A 45 -0.921 -3.376 -9.072 1.00 0.00 C ATOM 712 O LYS A 45 -1.315 -4.016 -8.094 1.00 0.00 O ATOM 713 CB LYS A 45 -0.727 -4.797 -11.124 1.00 0.00 C ATOM 714 CG LYS A 45 -1.218 -6.171 -10.697 1.00 0.00 C ATOM 715 CD LYS A 45 -1.593 -7.024 -11.898 1.00 0.00 C ATOM 716 CE LYS A 45 -2.385 -8.254 -11.483 1.00 0.00 C ATOM 717 NZ LYS A 45 -3.536 -8.507 -12.392 1.00 0.00 N ATOM 0 H LYS A 45 -0.626 -2.442 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.535 -3.925 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.818 -4.708 -12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.333 -4.708 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.441 -6.673 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.082 -6.063 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.181 -6.430 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.689 -7.332 -12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.728 -9.124 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.749 -8.124 -10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.050 -9.354 -12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.177 -7.688 -12.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.187 -8.656 -13.360 1.00 0.00 H new ATOM 731 N SER A 46 0.000 -2.420 -8.991 1.00 0.00 N ATOM 732 CA SER A 46 0.612 -2.060 -7.719 1.00 0.00 C ATOM 733 C SER A 46 -0.432 -1.454 -6.793 1.00 0.00 C ATOM 734 O SER A 46 -0.584 -1.882 -5.649 1.00 0.00 O ATOM 735 CB SER A 46 1.760 -1.073 -7.939 1.00 0.00 C ATOM 736 OG SER A 46 2.376 -1.278 -9.197 1.00 0.00 O ATOM 0 H SER A 46 0.337 -1.883 -9.790 1.00 0.00 H new ATOM 0 HA SER A 46 1.015 -2.961 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.383 -0.052 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.499 -1.188 -7.146 1.00 0.00 H new ATOM 0 HG SER A 46 3.135 -0.666 -9.293 1.00 0.00 H new ATOM 742 N ILE A 47 -1.147 -0.448 -7.294 1.00 0.00 N ATOM 743 CA ILE A 47 -2.195 0.201 -6.520 1.00 0.00 C ATOM 744 C ILE A 47 -3.277 -0.805 -6.155 1.00 0.00 C ATOM 745 O ILE A 47 -3.823 -0.777 -5.050 1.00 0.00 O ATOM 746 CB ILE A 47 -2.838 1.369 -7.293 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.767 2.200 -7.999 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.655 2.240 -6.351 1.00 0.00 C ATOM 749 CD1 ILE A 47 -2.303 3.013 -9.157 1.00 0.00 C ATOM 0 H ILE A 47 -1.017 -0.068 -8.231 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.731 0.598 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.505 0.957 -8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.304 2.872 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.984 1.535 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.103 3.061 -6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.442 1.641 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.006 2.643 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.490 3.578 -9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.740 2.345 -9.899 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.066 3.702 -8.795 1.00 0.00 H new ATOM 761 N ASP A 48 -3.583 -1.697 -7.095 1.00 0.00 N ATOM 762 CA ASP A 48 -4.591 -2.725 -6.868 1.00 0.00 C ATOM 763 C ASP A 48 -4.161 -3.621 -5.716 1.00 0.00 C ATOM 764 O ASP A 48 -4.988 -4.247 -5.049 1.00 0.00 O ATOM 765 CB ASP A 48 -4.801 -3.557 -8.134 1.00 0.00 C ATOM 766 CG ASP A 48 -6.073 -3.182 -8.867 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.147 -3.706 -8.501 1.00 0.00 O ATOM 768 OD2 ASP A 48 -5.998 -2.364 -9.808 1.00 0.00 O ATOM 0 H ASP A 48 -3.148 -1.727 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.535 -2.243 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.948 -3.423 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.835 -4.614 -7.869 1.00 0.00 H new ATOM 773 N CYS A 49 -2.852 -3.672 -5.489 1.00 0.00 N ATOM 774 CA CYS A 49 -2.287 -4.474 -4.415 1.00 0.00 C ATOM 775 C CYS A 49 -2.287 -3.683 -3.112 1.00 0.00 C ATOM 776 O CYS A 49 -2.699 -4.193 -2.067 1.00 0.00 O ATOM 777 CB CYS A 49 -0.863 -4.910 -4.765 1.00 0.00 C ATOM 778 SG CYS A 49 -0.773 -6.480 -5.656 1.00 0.00 S ATOM 0 H CYS A 49 -2.161 -3.163 -6.040 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.902 -5.365 -4.288 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.395 -4.133 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.283 -4.992 -3.846 1.00 0.00 H new ATOM 0 HG CYS A 49 0.470 -6.764 -5.910 1.00 0.00 H new ATOM 784 N ILE A 50 -1.824 -2.435 -3.177 1.00 0.00 N ATOM 785 CA ILE A 50 -1.780 -1.573 -2.001 1.00 0.00 C ATOM 786 C ILE A 50 -3.189 -1.288 -1.496 1.00 0.00 C ATOM 787 O ILE A 50 -3.384 -0.910 -0.342 1.00 0.00 O ATOM 788 CB ILE A 50 -1.061 -0.239 -2.308 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.427 0.338 -1.040 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.022 0.767 -2.928 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.642 1.373 -1.318 1.00 0.00 C ATOM 0 H ILE A 50 -1.475 -2.001 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.218 -2.099 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.269 -0.442 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.207 0.788 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.008 -0.475 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.492 1.697 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.422 0.363 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.841 0.962 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.048 1.739 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.441 0.922 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.208 2.204 -1.873 1.00 0.00 H new ATOM 803 N ARG A 51 -4.167 -1.473 -2.376 1.00 0.00 N ATOM 804 CA ARG A 51 -5.563 -1.248 -2.030 1.00 0.00 C ATOM 805 C ARG A 51 -6.099 -2.430 -1.235 1.00 0.00 C ATOM 806 O ARG A 51 -6.630 -2.266 -0.136 1.00 0.00 O ATOM 807 CB ARG A 51 -6.403 -1.039 -3.291 1.00 0.00 C ATOM 808 CG ARG A 51 -6.430 0.403 -3.771 1.00 0.00 C ATOM 809 CD ARG A 51 -7.831 0.987 -3.701 1.00 0.00 C ATOM 810 NE ARG A 51 -7.956 2.205 -4.497 1.00 0.00 N ATOM 811 CZ ARG A 51 -9.037 2.980 -4.494 1.00 0.00 C ATOM 812 NH1 ARG A 51 -10.082 2.664 -3.741 1.00 0.00 N ATOM 813 NH2 ARG A 51 -9.073 4.072 -5.245 1.00 0.00 N ATOM 0 H ARG A 51 -4.016 -1.779 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.628 -0.348 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.011 -1.671 -4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.424 -1.368 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.754 1.003 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.065 0.453 -4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.550 0.248 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.082 1.205 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.170 2.477 -5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.058 1.825 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.909 3.260 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.271 4.318 -5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.902 4.666 -5.242 1.00 0.00 H new ATOM 827 N ALA A 52 -5.955 -3.624 -1.803 1.00 0.00 N ATOM 828 CA ALA A 52 -6.411 -4.840 -1.143 1.00 0.00 C ATOM 829 C ALA A 52 -5.696 -5.029 0.190 1.00 0.00 C ATOM 830 O ALA A 52 -6.255 -5.589 1.134 1.00 0.00 O ATOM 831 CB ALA A 52 -6.185 -6.046 -2.043 1.00 0.00 C ATOM 0 H ALA A 52 -5.527 -3.774 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.479 -4.746 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.530 -6.947 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.740 -5.916 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.122 -6.140 -2.266 1.00 0.00 H new ATOM 837 N PHE A 53 -4.455 -4.556 0.256 1.00 0.00 N ATOM 838 CA PHE A 53 -3.654 -4.666 1.472 1.00 0.00 C ATOM 839 C PHE A 53 -4.082 -3.627 2.504 1.00 0.00 C ATOM 840 O PHE A 53 -4.464 -3.971 3.621 1.00 0.00 O ATOM 841 CB PHE A 53 -2.170 -4.493 1.144 1.00 0.00 C ATOM 842 CG PHE A 53 -1.257 -4.877 2.273 1.00 0.00 C ATOM 843 CD1 PHE A 53 -0.913 -6.202 2.484 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.744 -3.910 3.124 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.072 -6.557 3.522 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.097 -4.260 4.164 1.00 0.00 C ATOM 847 CZ PHE A 53 0.433 -5.585 4.364 1.00 0.00 C ATOM 0 H PHE A 53 -3.981 -4.092 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.815 -5.658 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.927 -5.097 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.985 -3.453 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.306 -6.966 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.004 -2.873 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.190 -7.594 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.491 -3.498 4.820 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.089 -5.860 5.177 1.00 0.00 H new ATOM 857 N ARG A 54 -4.012 -2.355 2.121 1.00 0.00 N ATOM 858 CA ARG A 54 -4.390 -1.260 3.010 1.00 0.00 C ATOM 859 C ARG A 54 -5.810 -1.444 3.536 1.00 0.00 C ATOM 860 O ARG A 54 -6.139 -0.993 4.631 1.00 0.00 O ATOM 861 CB ARG A 54 -4.280 0.077 2.273 1.00 0.00 C ATOM 862 CG ARG A 54 -4.330 1.291 3.186 1.00 0.00 C ATOM 863 CD ARG A 54 -5.736 1.862 3.280 1.00 0.00 C ATOM 864 NE ARG A 54 -5.958 2.935 2.316 1.00 0.00 N ATOM 865 CZ ARG A 54 -7.155 3.258 1.836 1.00 0.00 C ATOM 866 NH1 ARG A 54 -8.233 2.593 2.227 1.00 0.00 N ATOM 867 NH2 ARG A 54 -7.276 4.249 0.962 1.00 0.00 N ATOM 0 H ARG A 54 -3.696 -2.056 1.198 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.706 -1.263 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.346 0.095 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.090 0.148 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.982 1.013 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.650 2.056 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.462 1.067 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.907 2.240 4.288 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.150 3.467 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.146 1.830 2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.149 2.844 1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.450 4.764 0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.195 4.496 0.595 1.00 0.00 H new ATOM 881 N GLU A 55 -6.647 -2.109 2.751 1.00 0.00 N ATOM 882 CA GLU A 55 -8.032 -2.342 3.139 1.00 0.00 C ATOM 883 C GLU A 55 -8.136 -3.429 4.203 1.00 0.00 C ATOM 884 O GLU A 55 -8.609 -3.181 5.312 1.00 0.00 O ATOM 885 CB GLU A 55 -8.867 -2.730 1.917 1.00 0.00 C ATOM 886 CG GLU A 55 -10.365 -2.598 2.138 1.00 0.00 C ATOM 887 CD GLU A 55 -11.170 -2.966 0.906 1.00 0.00 C ATOM 888 OE1 GLU A 55 -11.225 -2.144 -0.034 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.745 -4.073 0.881 1.00 0.00 O ATOM 0 H GLU A 55 -6.392 -2.496 1.843 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.419 -1.415 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.576 -2.103 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.638 -3.760 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.664 -3.238 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.597 -1.573 2.427 1.00 0.00 H new ATOM 896 N GLU A 56 -7.678 -4.629 3.865 1.00 0.00 N ATOM 897 CA GLU A 56 -7.741 -5.762 4.785 1.00 0.00 C ATOM 898 C GLU A 56 -6.848 -5.554 6.005 1.00 0.00 C ATOM 899 O GLU A 56 -7.055 -6.180 7.046 1.00 0.00 O ATOM 900 CB GLU A 56 -7.337 -7.049 4.063 1.00 0.00 C ATOM 901 CG GLU A 56 -8.432 -7.619 3.177 1.00 0.00 C ATOM 902 CD GLU A 56 -8.670 -9.097 3.423 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.692 -9.871 3.377 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.836 -9.478 3.661 1.00 0.00 O ATOM 0 H GLU A 56 -7.259 -4.844 2.960 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.770 -5.844 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.454 -6.853 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.054 -7.797 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.358 -7.071 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.165 -7.467 2.131 1.00 0.00 H new ATOM 911 N ALA A 57 -5.859 -4.675 5.881 1.00 0.00 N ATOM 912 CA ALA A 57 -4.935 -4.411 6.979 1.00 0.00 C ATOM 913 C ALA A 57 -5.469 -3.335 7.920 1.00 0.00 C ATOM 914 O ALA A 57 -5.709 -3.593 9.101 1.00 0.00 O ATOM 915 CB ALA A 57 -3.573 -4.007 6.438 1.00 0.00 C ATOM 0 H ALA A 57 -5.677 -4.135 5.035 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.833 -5.332 7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.894 -3.813 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.172 -4.813 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.674 -3.105 5.834 1.00 0.00 H new ATOM 921 N ILE A 58 -5.654 -2.129 7.389 1.00 0.00 N ATOM 922 CA ILE A 58 -6.145 -1.011 8.187 1.00 0.00 C ATOM 923 C ILE A 58 -7.486 -1.333 8.837 1.00 0.00 C ATOM 924 O ILE A 58 -7.741 -0.941 9.976 1.00 0.00 O ATOM 925 CB ILE A 58 -6.284 0.271 7.340 1.00 0.00 C ATOM 926 CG1 ILE A 58 -4.941 0.639 6.698 1.00 0.00 C ATOM 927 CG2 ILE A 58 -6.802 1.421 8.194 1.00 0.00 C ATOM 928 CD1 ILE A 58 -3.815 0.826 7.694 1.00 0.00 C ATOM 0 H ILE A 58 -5.471 -1.902 6.411 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.406 -0.840 8.969 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.005 0.082 6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.661 -0.142 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.063 1.559 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.894 2.317 7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.778 1.160 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.105 1.610 9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.899 1.084 7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.071 1.628 8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.664 -0.099 8.250 1.00 0.00 H new ATOM 940 N LYS A 59 -8.344 -2.045 8.110 1.00 0.00 N ATOM 941 CA LYS A 59 -9.655 -2.411 8.631 1.00 0.00 C ATOM 942 C LYS A 59 -9.524 -3.166 9.950 1.00 0.00 C ATOM 943 O LYS A 59 -10.252 -2.890 10.903 1.00 0.00 O ATOM 944 CB LYS A 59 -10.425 -3.256 7.615 1.00 0.00 C ATOM 945 CG LYS A 59 -11.243 -2.432 6.635 1.00 0.00 C ATOM 946 CD LYS A 59 -12.602 -3.062 6.375 1.00 0.00 C ATOM 947 CE LYS A 59 -13.527 -2.107 5.637 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.416 -2.823 4.681 1.00 0.00 N ATOM 0 H LYS A 59 -8.155 -2.377 7.164 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.212 -1.491 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.719 -3.872 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.089 -3.935 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.377 -1.424 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.699 -2.337 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.476 -3.973 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.057 -3.352 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.135 -1.560 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.932 -1.370 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.031 -2.137 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.837 -3.324 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.002 -3.509 5.199 1.00 0.00 H new ATOM 962 N PHE A 60 -8.588 -4.116 10.004 1.00 0.00 N ATOM 963 CA PHE A 60 -8.370 -4.899 11.218 1.00 0.00 C ATOM 964 C PHE A 60 -7.188 -5.855 11.056 1.00 0.00 C ATOM 965 O PHE A 60 -7.349 -7.003 10.640 1.00 0.00 O ATOM 966 CB PHE A 60 -9.642 -5.673 11.610 1.00 0.00 C ATOM 967 CG PHE A 60 -10.087 -6.704 10.606 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.479 -6.333 9.331 1.00 0.00 C ATOM 969 CD2 PHE A 60 -10.115 -8.048 10.945 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.890 -7.280 8.412 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.524 -9.001 10.032 1.00 0.00 C ATOM 972 CZ PHE A 60 -10.912 -8.616 8.763 1.00 0.00 C ATOM 0 H PHE A 60 -7.974 -4.359 9.227 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.132 -4.202 12.021 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.470 -6.168 12.566 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.452 -4.960 11.762 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.463 -5.290 9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.813 -8.354 11.936 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.193 -6.976 7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.540 -10.045 10.310 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.232 -9.358 8.047 1.00 0.00 H new ATOM 982 N SER A 61 -5.994 -5.372 11.388 1.00 0.00 N ATOM 983 CA SER A 61 -4.790 -6.187 11.286 1.00 0.00 C ATOM 984 C SER A 61 -3.573 -5.449 11.834 1.00 0.00 C ATOM 985 O SER A 61 -3.351 -5.419 13.045 1.00 0.00 O ATOM 986 CB SER A 61 -4.546 -6.603 9.832 1.00 0.00 C ATOM 987 OG SER A 61 -4.962 -7.939 9.607 1.00 0.00 O ATOM 0 H SER A 61 -5.836 -4.424 11.729 1.00 0.00 H new ATOM 0 HA SER A 61 -4.942 -7.082 11.889 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.086 -5.933 9.163 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.487 -6.504 9.595 1.00 0.00 H new ATOM 0 HG SER A 61 -5.896 -8.042 9.886 1.00 0.00 H new ATOM 993 N GLU A 62 -2.789 -4.858 10.941 1.00 0.00 N ATOM 994 CA GLU A 62 -1.592 -4.132 11.344 1.00 0.00 C ATOM 995 C GLU A 62 -1.563 -2.745 10.716 1.00 0.00 C ATOM 996 O GLU A 62 -0.717 -2.450 9.873 1.00 0.00 O ATOM 997 CB GLU A 62 -0.338 -4.916 10.952 1.00 0.00 C ATOM 998 CG GLU A 62 -0.079 -6.127 11.833 1.00 0.00 C ATOM 999 CD GLU A 62 1.118 -6.936 11.375 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.258 -6.553 11.714 1.00 0.00 O ATOM 1001 OE2 GLU A 62 0.918 -7.951 10.677 1.00 0.00 O ATOM 0 H GLU A 62 -2.960 -4.867 9.935 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.611 -4.017 12.428 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.433 -5.244 9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.525 -4.252 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.081 -5.797 12.859 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.963 -6.764 11.837 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.507 -1.906 11.123 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.596 -0.541 10.610 1.00 0.00 C ATOM 1010 C GLU A 63 -1.255 0.190 10.710 1.00 0.00 C ATOM 1011 O GLU A 63 -0.900 0.973 9.828 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.669 0.239 11.372 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.549 0.122 12.883 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.724 0.743 13.611 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.735 0.038 13.818 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.636 1.936 13.973 1.00 0.00 O ATOM 0 H GLU A 63 -3.224 -2.145 11.808 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.868 -0.602 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.610 1.291 11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.652 -0.118 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.471 -0.930 13.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.628 0.605 13.209 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.515 -0.071 11.784 1.00 0.00 N ATOM 1024 CA GLN A 64 0.782 0.571 11.996 1.00 0.00 C ATOM 1025 C GLN A 64 1.816 0.074 10.992 1.00 0.00 C ATOM 1026 O GLN A 64 2.805 0.755 10.714 1.00 0.00 O ATOM 1027 CB GLN A 64 1.274 0.314 13.422 1.00 0.00 C ATOM 1028 CG GLN A 64 0.468 1.043 14.484 1.00 0.00 C ATOM 1029 CD GLN A 64 0.969 0.762 15.887 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.945 1.358 16.341 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.300 -0.151 16.582 1.00 0.00 N ATOM 0 H GLN A 64 -0.789 -0.721 12.521 1.00 0.00 H new ATOM 0 HA GLN A 64 0.652 1.643 11.848 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.239 -0.757 13.622 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.318 0.618 13.498 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.510 2.116 14.295 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.578 0.746 14.409 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.504 -0.621 16.166 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.590 -0.382 17.532 1.00 0.00 H new ATOM 1040 N ARG A 65 1.586 -1.117 10.453 1.00 0.00 N ATOM 1041 CA ARG A 65 2.497 -1.695 9.474 1.00 0.00 C ATOM 1042 C ARG A 65 2.390 -0.949 8.150 1.00 0.00 C ATOM 1043 O ARG A 65 3.328 -0.942 7.348 1.00 0.00 O ATOM 1044 CB ARG A 65 2.190 -3.181 9.271 1.00 0.00 C ATOM 1045 CG ARG A 65 3.009 -3.829 8.166 1.00 0.00 C ATOM 1046 CD ARG A 65 2.677 -5.305 8.017 1.00 0.00 C ATOM 1047 NE ARG A 65 3.816 -6.073 7.523 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.252 -7.195 8.090 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.646 -7.678 9.166 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.295 -7.834 7.579 1.00 0.00 N ATOM 0 H ARG A 65 0.779 -1.700 10.677 1.00 0.00 H new ATOM 0 HA ARG A 65 3.516 -1.599 9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.373 -3.712 10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.131 -3.296 9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.820 -3.316 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.071 -3.714 8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.360 -5.705 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.837 -5.421 7.332 1.00 0.00 H new ATOM 0 HE ARG A 65 4.305 -5.730 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.843 -7.189 9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.983 -8.538 9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.763 -7.466 6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.629 -8.694 8.014 1.00 0.00 H new ATOM 1064 N PHE A 66 1.246 -0.305 7.933 1.00 0.00 N ATOM 1065 CA PHE A 66 1.017 0.444 6.706 1.00 0.00 C ATOM 1066 C PHE A 66 1.528 1.873 6.843 1.00 0.00 C ATOM 1067 O PHE A 66 2.204 2.381 5.950 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.465 0.448 6.328 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.694 0.761 4.876 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.714 -0.251 3.929 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.874 2.068 4.458 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.910 0.037 2.593 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.069 2.362 3.122 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.087 1.346 2.189 1.00 0.00 C ATOM 0 H PHE A 66 0.466 -0.288 8.591 1.00 0.00 H new ATOM 0 HA PHE A 66 1.571 -0.051 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.897 -0.526 6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.990 1.181 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.575 -1.276 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.862 2.867 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.925 -0.760 1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.207 3.386 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.239 1.574 1.144 1.00 0.00 H new ATOM 1084 N ASN A 67 1.206 2.521 7.964 1.00 0.00 N ATOM 1085 CA ASN A 67 1.658 3.889 8.195 1.00 0.00 C ATOM 1086 C ASN A 67 3.172 3.903 8.365 1.00 0.00 C ATOM 1087 O ASN A 67 3.821 4.942 8.227 1.00 0.00 O ATOM 1088 CB ASN A 67 0.975 4.509 9.420 1.00 0.00 C ATOM 1089 CG ASN A 67 0.838 3.558 10.580 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.834 3.077 11.116 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.401 3.304 10.988 1.00 0.00 N ATOM 0 H ASN A 67 0.641 2.125 8.715 1.00 0.00 H new ATOM 0 HA ASN A 67 1.383 4.492 7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.545 5.381 9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.015 4.864 9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.559 2.683 11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.194 3.730 10.507 1.00 0.00 H new ATOM 1098 N ASN A 68 3.724 2.731 8.662 1.00 0.00 N ATOM 1099 CA ASN A 68 5.165 2.591 8.826 1.00 0.00 C ATOM 1100 C ASN A 68 5.830 2.609 7.457 1.00 0.00 C ATOM 1101 O ASN A 68 6.698 3.441 7.182 1.00 0.00 O ATOM 1102 CB ASN A 68 5.502 1.291 9.560 1.00 0.00 C ATOM 1103 CG ASN A 68 6.993 1.121 9.778 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.722 0.704 8.878 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.454 1.445 10.981 1.00 0.00 N ATOM 0 H ASN A 68 3.197 1.868 8.793 1.00 0.00 H new ATOM 0 HA ASN A 68 5.537 3.423 9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.993 1.278 10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.122 0.445 8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.448 1.352 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.814 1.787 11.698 1.00 0.00 H new ATOM 1112 N PHE A 69 5.414 1.678 6.603 1.00 0.00 N ATOM 1113 CA PHE A 69 5.942 1.594 5.246 1.00 0.00 C ATOM 1114 C PHE A 69 5.589 2.851 4.454 1.00 0.00 C ATOM 1115 O PHE A 69 6.345 3.279 3.584 1.00 0.00 O ATOM 1116 CB PHE A 69 5.392 0.357 4.534 1.00 0.00 C ATOM 1117 CG PHE A 69 6.286 -0.153 3.441 1.00 0.00 C ATOM 1118 CD1 PHE A 69 6.168 0.332 2.149 1.00 0.00 C ATOM 1119 CD2 PHE A 69 7.246 -1.116 3.707 1.00 0.00 C ATOM 1120 CE1 PHE A 69 6.990 -0.135 1.140 1.00 0.00 C ATOM 1121 CE2 PHE A 69 8.071 -1.587 2.703 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.943 -1.095 1.418 1.00 0.00 C ATOM 0 H PHE A 69 4.713 0.972 6.827 1.00 0.00 H new ATOM 0 HA PHE A 69 7.027 1.512 5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.239 -0.436 5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.415 0.595 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.425 1.084 1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.351 -1.503 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.887 0.250 0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.815 -2.339 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.587 -1.461 0.632 1.00 0.00 H new ATOM 1132 N LEU A 70 4.433 3.432 4.765 1.00 0.00 N ATOM 1133 CA LEU A 70 3.978 4.644 4.089 1.00 0.00 C ATOM 1134 C LEU A 70 4.955 5.786 4.337 1.00 0.00 C ATOM 1135 O LEU A 70 5.401 6.454 3.403 1.00 0.00 O ATOM 1136 CB LEU A 70 2.585 5.053 4.585 1.00 0.00 C ATOM 1137 CG LEU A 70 1.406 4.673 3.680 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.150 5.414 4.115 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.711 4.970 2.219 1.00 0.00 C ATOM 0 H LEU A 70 3.795 3.083 5.480 1.00 0.00 H new ATOM 0 HA LEU A 70 3.927 4.434 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.424 4.603 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.575 6.134 4.725 1.00 0.00 H new ATOM 0 HG LEU A 70 1.240 3.600 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.680 5.136 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.091 5.149 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.320 6.489 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.856 4.689 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.911 6.035 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.585 4.399 1.906 1.00 0.00 H new ATOM 1151 N LYS A 71 5.278 6.002 5.607 1.00 0.00 N ATOM 1152 CA LYS A 71 6.198 7.061 5.998 1.00 0.00 C ATOM 1153 C LYS A 71 7.547 6.906 5.307 1.00 0.00 C ATOM 1154 O LYS A 71 8.083 7.867 4.754 1.00 0.00 O ATOM 1155 CB LYS A 71 6.391 7.062 7.516 1.00 0.00 C ATOM 1156 CG LYS A 71 5.400 7.944 8.257 1.00 0.00 C ATOM 1157 CD LYS A 71 6.088 9.139 8.895 1.00 0.00 C ATOM 1158 CE LYS A 71 5.249 9.733 10.015 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.890 10.937 10.611 1.00 0.00 N ATOM 0 H LYS A 71 4.914 5.454 6.386 1.00 0.00 H new ATOM 0 HA LYS A 71 5.762 8.011 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.302 6.040 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.403 7.396 7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.632 8.291 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.895 7.360 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.058 8.835 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.276 9.900 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.265 9.999 9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.095 8.982 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.286 11.312 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.818 10.678 11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.014 11.664 9.877 1.00 0.00 H new ATOM 1173 N ALA A 72 8.093 5.694 5.337 1.00 0.00 N ATOM 1174 CA ALA A 72 9.390 5.429 4.718 1.00 0.00 C ATOM 1175 C ALA A 72 9.325 5.536 3.196 1.00 0.00 C ATOM 1176 O ALA A 72 10.159 6.197 2.575 1.00 0.00 O ATOM 1177 CB ALA A 72 9.895 4.054 5.128 1.00 0.00 C ATOM 0 H ALA A 72 7.661 4.883 5.780 1.00 0.00 H new ATOM 0 HA ALA A 72 10.087 6.189 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.862 3.867 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.002 4.014 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.183 3.294 4.805 1.00 0.00 H new ATOM 1183 N LEU A 73 8.333 4.880 2.606 1.00 0.00 N ATOM 1184 CA LEU A 73 8.158 4.889 1.157 1.00 0.00 C ATOM 1185 C LEU A 73 8.124 6.313 0.611 1.00 0.00 C ATOM 1186 O LEU A 73 8.881 6.652 -0.294 1.00 0.00 O ATOM 1187 CB LEU A 73 6.871 4.154 0.776 1.00 0.00 C ATOM 1188 CG LEU A 73 6.527 4.173 -0.715 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.454 3.249 -1.490 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.075 3.777 -0.930 1.00 0.00 C ATOM 0 H LEU A 73 7.635 4.333 3.110 1.00 0.00 H new ATOM 0 HA LEU A 73 9.011 4.376 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.954 3.117 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.042 4.595 1.329 1.00 0.00 H new ATOM 0 HG LEU A 73 6.666 5.188 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.194 3.276 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.485 3.577 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.348 2.231 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.847 3.796 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.911 2.772 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.425 4.479 -0.407 1.00 0.00 H new ATOM 1202 N GLN A 74 7.247 7.138 1.177 1.00 0.00 N ATOM 1203 CA GLN A 74 7.107 8.526 0.740 1.00 0.00 C ATOM 1204 C GLN A 74 8.458 9.232 0.734 1.00 0.00 C ATOM 1205 O GLN A 74 8.837 9.867 -0.255 1.00 0.00 O ATOM 1206 CB GLN A 74 6.131 9.277 1.644 1.00 0.00 C ATOM 1207 CG GLN A 74 5.756 10.654 1.118 1.00 0.00 C ATOM 1208 CD GLN A 74 6.589 11.760 1.735 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.747 11.828 2.954 1.00 0.00 O ATOM 1210 NE2 GLN A 74 7.127 12.635 0.894 1.00 0.00 N ATOM 0 H GLN A 74 6.623 6.871 1.938 1.00 0.00 H new ATOM 0 HA GLN A 74 6.714 8.520 -0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.225 8.682 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.573 9.383 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.880 10.672 0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.702 10.842 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.970 12.541 -0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.697 13.402 1.251 1.00 0.00 H new ATOM 1219 N GLU A 75 9.178 9.125 1.844 1.00 0.00 N ATOM 1220 CA GLU A 75 10.490 9.746 1.959 1.00 0.00 C ATOM 1221 C GLU A 75 11.433 9.185 0.903 1.00 0.00 C ATOM 1222 O GLU A 75 12.308 9.891 0.399 1.00 0.00 O ATOM 1223 CB GLU A 75 11.070 9.513 3.356 1.00 0.00 C ATOM 1224 CG GLU A 75 10.765 10.632 4.337 1.00 0.00 C ATOM 1225 CD GLU A 75 11.255 10.327 5.739 1.00 0.00 C ATOM 1226 OE1 GLU A 75 10.550 9.600 6.470 1.00 0.00 O ATOM 1227 OE2 GLU A 75 12.345 10.816 6.106 1.00 0.00 O ATOM 0 H GLU A 75 8.876 8.616 2.674 1.00 0.00 H new ATOM 0 HA GLU A 75 10.380 10.819 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.676 8.577 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.151 9.396 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.229 11.554 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.689 10.806 4.362 1.00 0.00 H new ATOM 1234 N LYS A 76 11.235 7.912 0.567 1.00 0.00 N ATOM 1235 CA LYS A 76 12.063 7.241 -0.426 1.00 0.00 C ATOM 1236 C LYS A 76 11.791 7.780 -1.828 1.00 0.00 C ATOM 1237 O LYS A 76 12.725 8.036 -2.590 1.00 0.00 O ATOM 1238 CB LYS A 76 11.820 5.731 -0.391 1.00 0.00 C ATOM 1239 CG LYS A 76 12.937 4.955 0.287 1.00 0.00 C ATOM 1240 CD LYS A 76 12.678 3.456 0.251 1.00 0.00 C ATOM 1241 CE LYS A 76 13.581 2.713 1.222 1.00 0.00 C ATOM 1242 NZ LYS A 76 13.340 1.244 1.192 1.00 0.00 N ATOM 0 H LYS A 76 10.505 7.325 0.971 1.00 0.00 H new ATOM 0 HA LYS A 76 13.106 7.441 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.883 5.533 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.701 5.366 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.884 5.173 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.033 5.284 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.635 3.260 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.841 3.081 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.623 2.915 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.414 3.088 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.975 0.774 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.352 1.049 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.524 0.882 0.235 1.00 0.00 H new ATOM 1256 N VAL A 77 10.513 7.952 -2.168 1.00 0.00 N ATOM 1257 CA VAL A 77 10.159 8.469 -3.487 1.00 0.00 C ATOM 1258 C VAL A 77 10.747 9.863 -3.670 1.00 0.00 C ATOM 1259 O VAL A 77 11.077 10.266 -4.785 1.00 0.00 O ATOM 1260 CB VAL A 77 8.625 8.495 -3.743 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.850 7.985 -2.542 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.148 9.888 -4.130 1.00 0.00 C ATOM 0 H VAL A 77 9.720 7.745 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 77 10.584 7.784 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 77 8.431 7.824 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.782 8.018 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.146 6.958 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.065 8.612 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.072 9.869 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.375 10.587 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.655 10.206 -5.041 1.00 0.00 H new ATOM 1272 N GLU A 78 10.879 10.594 -2.565 1.00 0.00 N ATOM 1273 CA GLU A 78 11.456 11.932 -2.607 1.00 0.00 C ATOM 1274 C GLU A 78 12.924 11.833 -2.997 1.00 0.00 C ATOM 1275 O GLU A 78 13.466 12.703 -3.677 1.00 0.00 O ATOM 1276 CB GLU A 78 11.318 12.619 -1.248 1.00 0.00 C ATOM 1277 CG GLU A 78 10.032 13.414 -1.094 1.00 0.00 C ATOM 1278 CD GLU A 78 10.060 14.341 0.105 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.751 13.878 1.222 1.00 0.00 O ATOM 1280 OE2 GLU A 78 10.393 15.531 -0.074 1.00 0.00 O ATOM 0 H GLU A 78 10.596 10.283 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 78 10.921 12.528 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.365 11.864 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.167 13.286 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.861 13.999 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.193 12.725 -0.997 1.00 0.00 H new ATOM 1287 N ILE A 79 13.554 10.749 -2.550 1.00 0.00 N ATOM 1288 CA ILE A 79 14.959 10.497 -2.860 1.00 0.00 C ATOM 1289 C ILE A 79 15.136 10.256 -4.358 1.00 0.00 C ATOM 1290 O ILE A 79 16.246 10.021 -4.835 1.00 0.00 O ATOM 1291 CB ILE A 79 15.512 9.281 -2.083 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.089 9.340 -0.614 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.029 9.222 -2.198 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.481 10.625 0.086 1.00 0.00 C ATOM 0 H ILE A 79 13.114 10.032 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 79 15.518 11.382 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 79 15.095 8.375 -2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.007 9.219 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.534 8.498 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.403 8.360 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.311 9.131 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.461 10.133 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.147 10.591 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.565 10.739 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.014 11.471 -0.418 1.00 0.00 H new ATOM 1306 N LYS A 80 14.021 10.315 -5.088 1.00 0.00 N ATOM 1307 CA LYS A 80 14.013 10.110 -6.531 1.00 0.00 C ATOM 1308 C LYS A 80 14.184 8.628 -6.860 1.00 0.00 C ATOM 1309 O LYS A 80 15.238 8.037 -6.619 1.00 0.00 O ATOM 1310 CB LYS A 80 15.083 10.987 -7.201 1.00 0.00 C ATOM 1311 CG LYS A 80 16.226 10.229 -7.862 1.00 0.00 C ATOM 1312 CD LYS A 80 16.933 11.084 -8.901 1.00 0.00 C ATOM 1313 CE LYS A 80 18.211 11.691 -8.346 1.00 0.00 C ATOM 1314 NZ LYS A 80 18.440 13.070 -8.862 1.00 0.00 N ATOM 0 H LYS A 80 13.100 10.506 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 80 13.048 10.417 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.599 11.610 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.500 11.659 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.941 9.912 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.840 9.325 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.167 10.477 -9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.266 11.879 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.159 11.715 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.058 11.059 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.321 13.449 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.515 13.045 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.644 13.680 -8.587 1.00 0.00 H new ATOM 1328 N GLN A 81 13.113 8.034 -7.385 1.00 0.00 N ATOM 1329 CA GLN A 81 13.096 6.621 -7.753 1.00 0.00 C ATOM 1330 C GLN A 81 11.683 6.195 -8.140 1.00 0.00 C ATOM 1331 O GLN A 81 11.493 5.383 -9.047 1.00 0.00 O ATOM 1332 CB GLN A 81 13.593 5.751 -6.596 1.00 0.00 C ATOM 1333 CG GLN A 81 14.917 5.065 -6.879 1.00 0.00 C ATOM 1334 CD GLN A 81 15.511 4.411 -5.647 1.00 0.00 C ATOM 1335 OE1 GLN A 81 15.566 3.186 -5.544 1.00 0.00 O ATOM 1336 NE2 GLN A 81 15.962 5.230 -4.703 1.00 0.00 N ATOM 0 H GLN A 81 12.234 8.519 -7.567 1.00 0.00 H new ATOM 0 HA GLN A 81 13.762 6.485 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.697 6.370 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.841 4.994 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.773 4.310 -7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.623 5.795 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.896 6.240 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.374 4.849 -3.851 1.00 0.00 H new ATOM 1345 N LEU A 82 10.695 6.754 -7.444 1.00 0.00 N ATOM 1346 CA LEU A 82 9.295 6.437 -7.705 1.00 0.00 C ATOM 1347 C LEU A 82 8.401 7.648 -7.447 1.00 0.00 C ATOM 1348 O LEU A 82 7.335 7.527 -6.840 1.00 0.00 O ATOM 1349 CB LEU A 82 8.845 5.262 -6.833 1.00 0.00 C ATOM 1350 CG LEU A 82 9.557 5.145 -5.484 1.00 0.00 C ATOM 1351 CD1 LEU A 82 8.546 4.990 -4.359 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.527 3.974 -5.495 1.00 0.00 C ATOM 0 H LEU A 82 10.840 7.430 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 82 9.203 6.159 -8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.774 5.352 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.999 4.337 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 82 10.124 6.060 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.071 4.908 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.889 5.860 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.952 4.091 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.025 3.905 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.981 3.051 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.272 4.126 -6.277 1.00 0.00 H new ATOM 1364 N ASN A 83 8.839 8.814 -7.911 1.00 0.00 N ATOM 1365 CA ASN A 83 8.074 10.044 -7.731 1.00 0.00 C ATOM 1366 C ASN A 83 6.742 9.974 -8.470 1.00 0.00 C ATOM 1367 O ASN A 83 5.844 10.783 -8.232 1.00 0.00 O ATOM 1368 CB ASN A 83 8.881 11.246 -8.226 1.00 0.00 C ATOM 1369 CG ASN A 83 8.427 12.547 -7.593 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.725 13.342 -8.217 1.00 0.00 O ATOM 1371 ND2 ASN A 83 8.830 12.771 -6.348 1.00 0.00 N ATOM 0 H ASN A 83 9.718 8.934 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 83 7.871 10.162 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.937 11.087 -8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.789 11.321 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.558 13.630 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.411 12.084 -5.869 1.00 0.00 H new ATOM 1378 N HIS A 84 6.619 9.000 -9.366 1.00 0.00 N ATOM 1379 CA HIS A 84 5.396 8.828 -10.144 1.00 0.00 C ATOM 1380 C HIS A 84 4.325 8.099 -9.340 1.00 0.00 C ATOM 1381 O HIS A 84 3.134 8.381 -9.482 1.00 0.00 O ATOM 1382 CB HIS A 84 5.681 8.065 -11.443 1.00 0.00 C ATOM 1383 CG HIS A 84 6.960 7.286 -11.427 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.031 5.960 -11.054 1.00 0.00 N ATOM 1385 CD2 HIS A 84 8.226 7.654 -11.740 1.00 0.00 C ATOM 1386 CE1 HIS A 84 8.283 5.547 -11.139 1.00 0.00 C ATOM 1387 NE2 HIS A 84 9.027 6.555 -11.553 1.00 0.00 N ATOM 0 H HIS A 84 7.350 8.319 -9.572 1.00 0.00 H new ATOM 0 HA HIS A 84 5.024 9.822 -10.391 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.855 7.382 -11.639 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.711 8.775 -12.270 1.00 0.00 H new ATOM 0 HD1 HIS A 84 6.240 5.388 -10.759 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.545 8.630 -12.074 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.637 4.553 -10.909 1.00 0.00 H new ATOM 1396 N PHE A 85 4.747 7.165 -8.490 1.00 0.00 N ATOM 1397 CA PHE A 85 3.806 6.401 -7.677 1.00 0.00 C ATOM 1398 C PHE A 85 3.044 7.313 -6.722 1.00 0.00 C ATOM 1399 O PHE A 85 1.897 7.036 -6.373 1.00 0.00 O ATOM 1400 CB PHE A 85 4.527 5.307 -6.887 1.00 0.00 C ATOM 1401 CG PHE A 85 3.613 4.195 -6.444 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.030 3.349 -7.375 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.334 3.998 -5.099 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.188 2.329 -6.975 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.491 2.978 -4.692 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.919 2.144 -5.632 1.00 0.00 C ATOM 0 H PHE A 85 5.727 6.921 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 85 3.093 5.931 -8.354 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.325 4.890 -7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.999 5.752 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.237 3.489 -8.426 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.780 4.648 -4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.741 1.677 -7.711 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.281 2.835 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.261 1.347 -5.318 1.00 0.00 H new ATOM 1416 N TRP A 86 3.683 8.401 -6.301 1.00 0.00 N ATOM 1417 CA TRP A 86 3.051 9.342 -5.393 1.00 0.00 C ATOM 1418 C TRP A 86 2.040 10.203 -6.139 1.00 0.00 C ATOM 1419 O TRP A 86 0.904 10.368 -5.694 1.00 0.00 O ATOM 1420 CB TRP A 86 4.104 10.220 -4.721 1.00 0.00 C ATOM 1421 CG TRP A 86 3.595 10.902 -3.494 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.478 12.243 -3.300 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.130 10.277 -2.293 1.00 0.00 C ATOM 1424 NE1 TRP A 86 2.966 12.497 -2.049 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.745 11.303 -1.410 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.003 8.948 -1.880 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.240 11.040 -0.138 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.503 8.689 -0.619 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.126 9.729 0.239 1.00 0.00 C ATOM 0 H TRP A 86 4.634 8.649 -6.575 1.00 0.00 H new ATOM 0 HA TRP A 86 2.524 8.779 -4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.967 9.608 -4.459 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.450 10.971 -5.431 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.748 12.999 -4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.781 13.422 -1.660 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.290 8.139 -2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 1.949 11.841 0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.401 7.666 -0.289 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.737 9.492 1.218 1.00 0.00 H new ATOM 1440 N GLU A 87 2.460 10.752 -7.277 1.00 0.00 N ATOM 1441 CA GLU A 87 1.578 11.580 -8.093 1.00 0.00 C ATOM 1442 C GLU A 87 0.384 10.758 -8.559 1.00 0.00 C ATOM 1443 O GLU A 87 -0.654 11.302 -8.936 1.00 0.00 O ATOM 1444 CB GLU A 87 2.334 12.146 -9.296 1.00 0.00 C ATOM 1445 CG GLU A 87 3.259 13.300 -8.946 1.00 0.00 C ATOM 1446 CD GLU A 87 4.062 13.784 -10.138 1.00 0.00 C ATOM 1447 OE1 GLU A 87 5.169 13.251 -10.364 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.584 14.696 -10.845 1.00 0.00 O ATOM 0 H GLU A 87 3.401 10.639 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 87 1.222 12.415 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.919 11.349 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.614 12.482 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.669 14.127 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.941 12.987 -8.155 1.00 0.00 H new ATOM 1455 N ILE A 88 0.549 9.440 -8.518 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.511 8.520 -8.913 1.00 0.00 C ATOM 1457 C ILE A 88 -1.440 8.274 -7.732 1.00 0.00 C ATOM 1458 O ILE A 88 -2.650 8.507 -7.814 1.00 0.00 O ATOM 1459 CB ILE A 88 0.056 7.174 -9.417 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.685 7.348 -10.800 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.039 6.118 -9.461 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.636 6.233 -11.177 1.00 0.00 C ATOM 0 H ILE A 88 1.409 8.984 -8.214 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.062 8.978 -9.734 1.00 0.00 H new ATOM 0 HB ILE A 88 0.828 6.841 -8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.108 7.406 -11.546 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.221 8.297 -10.830 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.622 5.176 -9.818 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.449 5.977 -8.461 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.831 6.443 -10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.044 6.423 -12.170 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.449 6.188 -10.453 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.101 5.284 -11.180 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.859 7.786 -6.638 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.606 7.530 -5.414 1.00 0.00 C ATOM 1476 C VAL A 89 -2.489 8.726 -5.070 1.00 0.00 C ATOM 1477 O VAL A 89 -3.590 8.569 -4.538 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.650 7.234 -4.236 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.364 7.360 -2.899 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.036 5.850 -4.387 1.00 0.00 C ATOM 0 H VAL A 89 0.134 7.560 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.235 6.656 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 89 0.149 7.975 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.664 7.146 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.749 8.373 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.191 6.651 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.635 5.656 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.827 5.100 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.525 5.801 -5.320 1.00 0.00 H new ATOM 1490 N VAL A 90 -2.003 9.920 -5.397 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.750 11.143 -5.137 1.00 0.00 C ATOM 1492 C VAL A 90 -3.683 11.438 -6.306 1.00 0.00 C ATOM 1493 O VAL A 90 -4.818 11.876 -6.112 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.817 12.348 -4.886 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.096 12.760 -6.159 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.600 13.517 -4.309 1.00 0.00 C ATOM 0 H VAL A 90 -1.097 10.065 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.335 10.988 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.063 12.044 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.447 13.610 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.496 11.926 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.827 13.039 -6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.927 14.357 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.380 13.814 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.055 13.219 -3.364 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.184 11.204 -7.521 1.00 0.00 N ATOM 1507 CA GLN A 91 -3.977 11.412 -8.730 1.00 0.00 C ATOM 1508 C GLN A 91 -5.360 10.799 -8.567 1.00 0.00 C ATOM 1509 O GLN A 91 -6.334 11.284 -9.142 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.285 10.798 -9.948 1.00 0.00 C ATOM 1511 CG GLN A 91 -2.855 11.825 -10.983 1.00 0.00 C ATOM 1512 CD GLN A 91 -2.470 11.192 -12.306 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -1.401 10.596 -12.436 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.343 11.319 -13.299 1.00 0.00 N ATOM 0 H GLN A 91 -2.235 10.871 -7.692 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.075 12.486 -8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.409 10.240 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.960 10.082 -10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.667 12.533 -11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.009 12.393 -10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.218 11.821 -13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.139 10.914 -14.213 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.442 9.730 -7.779 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.724 9.079 -7.535 1.00 0.00 C ATOM 1525 C ASP A 92 -7.383 9.691 -6.304 1.00 0.00 C ATOM 1526 O ASP A 92 -8.577 9.990 -6.302 1.00 0.00 O ATOM 1527 CB ASP A 92 -6.529 7.574 -7.336 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.547 6.812 -8.646 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.478 6.706 -9.287 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -7.627 6.318 -9.032 1.00 0.00 O ATOM 0 H ASP A 92 -4.647 9.302 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.369 9.231 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.581 7.397 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.315 7.191 -6.685 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.583 9.870 -5.258 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.077 10.488 -4.041 1.00 0.00 C ATOM 1537 C GLY A 93 -6.946 9.600 -2.820 1.00 0.00 C ATOM 1538 O GLY A 93 -7.792 9.641 -1.927 1.00 0.00 O ATOM 0 H GLY A 93 -5.600 9.598 -5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.532 11.416 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.125 10.754 -4.177 1.00 0.00 H new ATOM 1542 N ILE A 94 -5.889 8.798 -2.774 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.662 7.917 -1.635 1.00 0.00 C ATOM 1544 C ILE A 94 -5.082 8.709 -0.469 1.00 0.00 C ATOM 1545 O ILE A 94 -4.292 9.632 -0.667 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.715 6.753 -1.987 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.088 6.158 -3.347 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.763 5.686 -0.901 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.083 5.152 -3.868 1.00 0.00 C ATOM 0 H ILE A 94 -5.181 8.739 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.626 7.493 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.696 7.136 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.063 5.677 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.189 6.966 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.089 4.870 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.454 6.120 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.780 5.303 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.415 4.774 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.111 5.633 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.999 4.324 -3.164 1.00 0.00 H new ATOM 1561 N THR A 95 -5.476 8.346 0.745 1.00 0.00 N ATOM 1562 CA THR A 95 -5.011 9.045 1.936 1.00 0.00 C ATOM 1563 C THR A 95 -3.805 8.367 2.568 1.00 0.00 C ATOM 1564 O THR A 95 -3.178 7.491 1.970 1.00 0.00 O ATOM 1565 CB THR A 95 -6.125 9.176 2.990 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.248 7.954 3.729 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.456 9.514 2.335 1.00 0.00 C ATOM 0 H THR A 95 -6.115 7.573 0.931 1.00 0.00 H new ATOM 0 HA THR A 95 -4.715 10.039 1.601 1.00 0.00 H new ATOM 0 HB THR A 95 -5.857 9.986 3.669 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.958 8.047 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.227 9.601 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.368 10.459 1.799 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.728 8.724 1.635 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.493 8.788 3.788 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.361 8.255 4.528 1.00 0.00 C ATOM 1577 C LEU A 96 -2.845 7.532 5.774 1.00 0.00 C ATOM 1578 O LEU A 96 -2.054 7.226 6.666 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.415 9.389 4.924 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.175 9.553 4.046 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.900 8.563 4.461 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.523 9.387 2.572 1.00 0.00 C ATOM 0 H LEU A 96 -4.017 9.506 4.289 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.827 7.549 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.974 10.325 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.091 9.225 5.952 1.00 0.00 H new ATOM 0 HG LEU A 96 0.211 10.563 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.777 8.691 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.175 8.739 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.520 7.547 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.377 9.509 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.939 8.393 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.256 10.140 2.284 1.00 0.00 H new ATOM 1594 N ILE A 97 -4.158 7.306 5.828 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.799 6.623 6.951 1.00 0.00 C ATOM 1596 C ILE A 97 -5.067 7.616 8.080 1.00 0.00 C ATOM 1597 O ILE A 97 -4.161 8.319 8.527 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.959 5.428 7.467 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -4.446 4.126 6.826 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -4.008 5.335 8.988 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -3.730 3.779 5.535 1.00 0.00 C ATOM 0 H ILE A 97 -4.807 7.591 5.094 1.00 0.00 H new ATOM 0 HA ILE A 97 -5.745 6.217 6.593 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.920 5.591 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.313 3.310 7.536 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.515 4.206 6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.409 4.487 9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.610 6.252 9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.040 5.199 9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.127 2.845 5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.884 4.576 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.663 3.666 5.729 1.00 0.00 H new ATOM 1613 N THR A 98 -6.317 7.671 8.533 1.00 0.00 N ATOM 1614 CA THR A 98 -6.703 8.597 9.592 1.00 0.00 C ATOM 1615 C THR A 98 -7.211 7.871 10.832 1.00 0.00 C ATOM 1616 O THR A 98 -7.636 6.719 10.764 1.00 0.00 O ATOM 1617 CB THR A 98 -7.790 9.575 9.108 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.734 9.703 7.682 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.614 10.942 9.752 1.00 0.00 C ATOM 0 H THR A 98 -7.077 7.087 8.184 1.00 0.00 H new ATOM 0 HA THR A 98 -5.802 9.151 9.856 1.00 0.00 H new ATOM 0 HB THR A 98 -8.762 9.176 9.399 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.359 9.069 7.272 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.393 11.615 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.686 10.846 10.835 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.637 11.346 9.488 1.00 0.00 H new ATOM 1627 N LYS A 99 -7.136 8.563 11.967 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.582 8.031 13.255 1.00 0.00 C ATOM 1629 C LYS A 99 -8.806 7.122 13.124 1.00 0.00 C ATOM 1630 O LYS A 99 -8.676 5.900 13.055 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.893 9.187 14.211 1.00 0.00 C ATOM 1632 CG LYS A 99 -8.439 8.743 15.560 1.00 0.00 C ATOM 1633 CD LYS A 99 -9.149 9.882 16.274 1.00 0.00 C ATOM 1634 CE LYS A 99 -8.379 10.334 17.503 1.00 0.00 C ATOM 1635 NZ LYS A 99 -9.093 11.412 18.241 1.00 0.00 N ATOM 0 H LYS A 99 -6.763 9.511 12.021 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.770 7.422 13.652 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.984 9.767 14.371 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.616 9.852 13.738 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.131 7.913 15.419 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.622 8.375 16.181 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.271 10.722 15.590 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.149 9.562 16.567 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.222 9.483 18.166 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.394 10.691 17.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.535 11.692 19.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.221 12.234 17.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.023 11.064 18.550 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.989 7.727 13.097 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.236 6.974 13.004 1.00 0.00 C ATOM 1651 C GLU A 100 -11.294 6.121 11.738 1.00 0.00 C ATOM 1652 O GLU A 100 -12.129 5.223 11.629 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.426 7.929 13.064 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.777 7.234 12.994 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.931 8.170 13.294 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.934 8.778 14.386 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -15.833 8.295 12.439 1.00 0.00 O ATOM 0 H GLU A 100 -10.111 8.739 13.138 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.279 6.292 13.853 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.372 8.504 13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.351 8.640 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.910 6.806 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.792 6.406 13.702 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.411 6.400 10.784 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.367 5.634 9.540 1.00 0.00 C ATOM 1666 C GLU A 101 -9.852 4.213 9.791 1.00 0.00 C ATOM 1667 O GLU A 101 -9.370 3.545 8.875 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.483 6.337 8.509 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.982 6.191 7.081 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.050 6.831 6.070 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -8.100 6.153 5.626 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -9.271 8.010 5.722 1.00 0.00 O ATOM 0 H GLU A 101 -9.719 7.147 10.846 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.382 5.569 9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.422 7.397 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.472 5.935 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.096 5.133 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.970 6.644 6.997 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.960 3.765 11.039 1.00 0.00 N ATOM 1680 CA ALA A 102 -9.518 2.431 11.424 1.00 0.00 C ATOM 1681 C ALA A 102 -10.538 1.768 12.344 1.00 0.00 C ATOM 1682 O ALA A 102 -11.079 0.709 12.026 1.00 0.00 O ATOM 1683 CB ALA A 102 -8.157 2.500 12.100 1.00 0.00 C ATOM 0 H ALA A 102 -10.353 4.312 11.805 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.429 1.825 10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.840 1.496 12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.430 2.930 11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.225 3.123 12.992 1.00 0.00 H new ATOM 1689 N SER A 103 -10.798 2.406 13.484 1.00 0.00 N ATOM 1690 CA SER A 103 -11.754 1.890 14.462 1.00 0.00 C ATOM 1691 C SER A 103 -11.836 2.813 15.676 1.00 0.00 C ATOM 1692 O SER A 103 -12.905 2.997 16.259 1.00 0.00 O ATOM 1693 CB SER A 103 -11.355 0.481 14.910 1.00 0.00 C ATOM 1694 OG SER A 103 -12.241 -0.491 14.383 1.00 0.00 O ATOM 0 H SER A 103 -10.357 3.285 13.754 1.00 0.00 H new ATOM 0 HA SER A 103 -12.734 1.848 13.986 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.338 0.266 14.583 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.357 0.428 15.999 1.00 0.00 H new ATOM 0 HG SER A 103 -12.215 -0.461 13.404 1.00 0.00 H new ATOM 1700 N GLY A 104 -10.697 3.388 16.046 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.643 4.285 17.187 1.00 0.00 C ATOM 1702 C GLY A 104 -9.230 4.449 17.708 1.00 0.00 C ATOM 1703 O GLY A 104 -8.989 4.382 18.913 1.00 0.00 O ATOM 0 H GLY A 104 -9.804 3.248 15.573 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.041 5.259 16.903 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.281 3.900 17.982 1.00 0.00 H new ATOM 1707 N SER A 105 -8.296 4.665 16.788 1.00 0.00 N ATOM 1708 CA SER A 105 -6.890 4.827 17.146 1.00 0.00 C ATOM 1709 C SER A 105 -6.355 6.164 16.688 1.00 0.00 C ATOM 1710 O SER A 105 -6.471 6.525 15.520 1.00 0.00 O ATOM 1711 CB SER A 105 -6.051 3.695 16.548 1.00 0.00 C ATOM 1712 OG SER A 105 -6.379 2.450 17.140 1.00 0.00 O ATOM 0 H SER A 105 -8.486 4.732 15.788 1.00 0.00 H new ATOM 0 HA SER A 105 -6.819 4.787 18.233 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.217 3.645 15.472 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.992 3.905 16.698 1.00 0.00 H new ATOM 0 HG SER A 105 -5.831 1.743 16.740 1.00 0.00 H new ATOM 1718 N SER A 106 -5.754 6.891 17.622 1.00 0.00 N ATOM 1719 CA SER A 106 -5.199 8.196 17.327 1.00 0.00 C ATOM 1720 C SER A 106 -4.198 8.118 16.186 1.00 0.00 C ATOM 1721 O SER A 106 -3.334 7.242 16.151 1.00 0.00 O ATOM 1722 CB SER A 106 -4.528 8.780 18.572 1.00 0.00 C ATOM 1723 OG SER A 106 -5.455 8.916 19.635 1.00 0.00 O ATOM 0 H SER A 106 -5.641 6.594 18.591 1.00 0.00 H new ATOM 0 HA SER A 106 -6.016 8.849 17.022 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.706 8.135 18.882 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.097 9.753 18.334 1.00 0.00 H new ATOM 0 HG SER A 106 -5.001 9.289 20.419 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.331 9.048 15.261 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.444 9.131 14.108 1.00 0.00 C ATOM 1731 C VAL A 107 -3.026 10.578 13.875 1.00 0.00 C ATOM 1732 O VAL A 107 -3.859 11.444 13.609 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.097 8.564 12.832 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.300 8.953 11.594 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -4.214 7.053 12.935 1.00 0.00 C ATOM 0 H VAL A 107 -5.054 9.768 15.283 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.566 8.523 14.327 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.096 8.990 12.737 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.781 8.541 10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.260 10.039 11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.287 8.558 11.674 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.676 6.661 12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.221 6.618 13.053 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.828 6.794 13.797 1.00 0.00 H new ATOM 1745 N THR A 108 -1.728 10.825 13.987 1.00 0.00 N ATOM 1746 CA THR A 108 -1.172 12.161 13.822 1.00 0.00 C ATOM 1747 C THR A 108 -1.692 12.865 12.568 1.00 0.00 C ATOM 1748 O THR A 108 -2.024 12.226 11.568 1.00 0.00 O ATOM 1749 CB THR A 108 0.369 12.106 13.781 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.919 13.289 14.375 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.885 11.962 12.355 1.00 0.00 C ATOM 0 H THR A 108 -1.033 10.108 14.194 1.00 0.00 H new ATOM 0 HA THR A 108 -1.498 12.741 14.685 1.00 0.00 H new ATOM 0 HB THR A 108 0.685 11.230 14.347 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.898 13.245 14.346 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.974 11.927 12.364 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.496 11.042 11.918 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.555 12.814 11.761 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.761 14.191 12.647 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.216 15.024 11.538 1.00 0.00 C ATOM 1761 C ALA A 109 -1.083 15.245 10.544 1.00 0.00 C ATOM 1762 O ALA A 109 -1.293 15.723 9.432 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.743 16.354 12.055 1.00 0.00 C ATOM 0 H ALA A 109 -1.503 14.718 13.481 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.029 14.510 11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.078 16.963 11.216 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.579 16.176 12.731 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.950 16.877 12.589 1.00 0.00 H new ATOM 1769 N GLU A 110 0.120 14.890 10.972 1.00 0.00 N ATOM 1770 CA GLU A 110 1.313 15.048 10.151 1.00 0.00 C ATOM 1771 C GLU A 110 1.393 13.930 9.118 1.00 0.00 C ATOM 1772 O GLU A 110 2.135 14.018 8.142 1.00 0.00 O ATOM 1773 CB GLU A 110 2.567 15.045 11.027 1.00 0.00 C ATOM 1774 CG GLU A 110 2.851 16.386 11.684 1.00 0.00 C ATOM 1775 CD GLU A 110 3.979 16.311 12.696 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.148 16.490 12.296 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.692 16.074 13.888 1.00 0.00 O ATOM 0 H GLU A 110 0.297 14.487 11.892 1.00 0.00 H new ATOM 0 HA GLU A 110 1.253 16.004 9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.458 14.286 11.801 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.425 14.758 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.105 17.117 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.947 16.743 12.178 1.00 0.00 H new ATOM 1784 N GLU A 111 0.622 12.875 9.352 1.00 0.00 N ATOM 1785 CA GLU A 111 0.612 11.722 8.467 1.00 0.00 C ATOM 1786 C GLU A 111 -0.282 11.962 7.253 1.00 0.00 C ATOM 1787 O GLU A 111 0.127 11.733 6.117 1.00 0.00 O ATOM 1788 CB GLU A 111 0.141 10.481 9.234 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.409 9.382 8.346 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.398 8.027 9.025 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.706 7.508 9.293 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.491 7.485 9.289 1.00 0.00 O ATOM 0 H GLU A 111 -0.006 12.796 10.152 1.00 0.00 H new ATOM 0 HA GLU A 111 1.628 11.560 8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.976 10.084 9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.628 10.777 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.430 9.631 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.180 9.331 7.430 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.500 12.433 7.493 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.449 12.666 6.412 1.00 0.00 C ATOM 1801 C ALA A 112 -2.315 14.050 5.777 1.00 0.00 C ATOM 1802 O ALA A 112 -2.533 14.207 4.576 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.869 12.460 6.915 1.00 0.00 C ATOM 0 H ALA A 112 -1.852 12.660 8.423 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.217 11.941 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.572 12.636 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.982 11.438 7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.072 13.158 7.727 1.00 0.00 H new ATOM 1809 N LYS A 113 -1.957 15.050 6.575 1.00 0.00 N ATOM 1810 CA LYS A 113 -1.843 16.417 6.069 1.00 0.00 C ATOM 1811 C LYS A 113 -0.481 16.707 5.439 1.00 0.00 C ATOM 1812 O LYS A 113 -0.411 17.243 4.335 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.122 17.420 7.189 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.445 17.182 7.899 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.092 18.489 8.328 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.576 18.310 8.602 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.145 19.460 9.356 1.00 0.00 N ATOM 0 H LYS A 113 -1.742 14.944 7.566 1.00 0.00 H new ATOM 0 HA LYS A 113 -2.589 16.523 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.313 17.373 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.118 18.428 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.121 16.640 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.281 16.552 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.598 18.864 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.952 19.239 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.108 18.196 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.732 17.392 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.159 19.299 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.655 19.553 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.019 20.333 8.805 1.00 0.00 H new ATOM 1831 N LYS A 114 0.597 16.362 6.134 1.00 0.00 N ATOM 1832 CA LYS A 114 1.942 16.631 5.626 1.00 0.00 C ATOM 1833 C LYS A 114 2.221 15.897 4.316 1.00 0.00 C ATOM 1834 O LYS A 114 2.833 16.455 3.404 1.00 0.00 O ATOM 1835 CB LYS A 114 2.993 16.251 6.668 1.00 0.00 C ATOM 1836 CG LYS A 114 4.154 17.227 6.745 1.00 0.00 C ATOM 1837 CD LYS A 114 5.193 16.944 5.673 1.00 0.00 C ATOM 1838 CE LYS A 114 6.382 17.884 5.789 1.00 0.00 C ATOM 1839 NZ LYS A 114 7.666 17.198 5.472 1.00 0.00 N ATOM 0 H LYS A 114 0.570 15.900 7.043 1.00 0.00 H new ATOM 0 HA LYS A 114 1.999 17.701 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.516 16.188 7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.379 15.258 6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.782 18.245 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.619 17.164 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.534 15.912 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.739 17.049 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.245 18.728 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.427 18.289 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.452 17.873 5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.810 16.408 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.634 16.833 4.499 1.00 0.00 H new ATOM 1853 N PHE A 115 1.774 14.651 4.222 1.00 0.00 N ATOM 1854 CA PHE A 115 1.999 13.849 3.022 1.00 0.00 C ATOM 1855 C PHE A 115 1.193 14.369 1.834 1.00 0.00 C ATOM 1856 O PHE A 115 1.728 14.538 0.738 1.00 0.00 O ATOM 1857 CB PHE A 115 1.622 12.395 3.285 1.00 0.00 C ATOM 1858 CG PHE A 115 2.630 11.636 4.099 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.879 11.976 5.419 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.312 10.566 3.548 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.792 11.263 6.172 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.222 9.848 4.295 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.463 10.197 5.608 1.00 0.00 C ATOM 0 H PHE A 115 1.255 14.173 4.959 1.00 0.00 H new ATOM 0 HA PHE A 115 3.058 13.922 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.661 12.368 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.487 11.888 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.353 12.808 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.129 10.290 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.980 11.539 7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.746 9.013 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.176 9.636 6.194 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.091 14.621 2.058 1.00 0.00 N ATOM 1874 CA LEU A 116 -0.969 15.108 1.000 1.00 0.00 C ATOM 1875 C LEU A 116 -0.811 16.612 0.802 1.00 0.00 C ATOM 1876 O LEU A 116 -0.572 17.354 1.754 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.426 14.772 1.327 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.787 13.287 1.226 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -4.131 13.018 1.884 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -2.806 12.839 -0.228 1.00 0.00 C ATOM 0 H LEU A 116 -0.547 14.496 2.962 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.686 14.612 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.644 15.115 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.073 15.334 0.653 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.025 12.712 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.370 11.958 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.084 13.299 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.904 13.604 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.064 11.781 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -3.546 13.420 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.821 12.994 -0.669 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.944 17.053 -0.445 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.818 18.466 -0.777 1.00 0.00 C ATOM 1894 C ALA A 117 -2.126 19.004 -1.348 1.00 0.00 C ATOM 1895 O ALA A 117 -2.966 18.231 -1.809 1.00 0.00 O ATOM 1896 CB ALA A 117 0.321 18.669 -1.767 1.00 0.00 C ATOM 0 H ALA A 117 -1.140 16.449 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.594 19.020 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.408 19.728 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.254 18.320 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.117 18.104 -2.677 1.00 0.00 H new ATOM 1902 N PRO A 118 -2.323 20.337 -1.324 1.00 0.00 N ATOM 1903 CA PRO A 118 -3.539 20.963 -1.848 1.00 0.00 C ATOM 1904 C PRO A 118 -3.873 20.473 -3.252 1.00 0.00 C ATOM 1905 O PRO A 118 -3.333 20.971 -4.241 1.00 0.00 O ATOM 1906 CB PRO A 118 -3.210 22.466 -1.864 1.00 0.00 C ATOM 1907 CG PRO A 118 -1.746 22.565 -1.578 1.00 0.00 C ATOM 1908 CD PRO A 118 -1.389 21.338 -0.791 1.00 0.00 C ATOM 0 HA PRO A 118 -4.412 20.722 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.450 22.909 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.792 23.002 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.171 22.615 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.520 23.469 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.350 21.046 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.524 21.489 0.280 1.00 0.00 H new ATOM 1916 N LYS A 119 -4.763 19.488 -3.328 1.00 0.00 N ATOM 1917 CA LYS A 119 -5.172 18.916 -4.606 1.00 0.00 C ATOM 1918 C LYS A 119 -5.612 20.005 -5.580 1.00 0.00 C ATOM 1919 O LYS A 119 -5.036 20.159 -6.657 1.00 0.00 O ATOM 1920 CB LYS A 119 -6.308 17.913 -4.398 1.00 0.00 C ATOM 1921 CG LYS A 119 -6.512 16.971 -5.572 1.00 0.00 C ATOM 1922 CD LYS A 119 -7.827 16.216 -5.458 1.00 0.00 C ATOM 1923 CE LYS A 119 -7.779 14.896 -6.212 1.00 0.00 C ATOM 1924 NZ LYS A 119 -8.884 13.985 -5.806 1.00 0.00 N ATOM 0 H LYS A 119 -5.216 19.068 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.312 18.400 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.103 17.325 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.234 18.458 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.497 17.539 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.686 16.261 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.050 16.028 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.636 16.831 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.841 15.087 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.821 14.409 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.816 13.097 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.810 13.782 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.799 14.439 -6.003 1.00 0.00 H new ATOM 1938 N ASP A 120 -6.638 20.758 -5.193 1.00 0.00 N ATOM 1939 CA ASP A 120 -7.156 21.834 -6.030 1.00 0.00 C ATOM 1940 C ASP A 120 -6.184 23.009 -6.071 1.00 0.00 C ATOM 1941 O ASP A 120 -5.796 23.471 -7.144 1.00 0.00 O ATOM 1942 CB ASP A 120 -8.518 22.301 -5.514 1.00 0.00 C ATOM 1943 CG ASP A 120 -9.667 21.535 -6.139 1.00 0.00 C ATOM 1944 OD1 ASP A 120 -10.075 21.891 -7.265 1.00 0.00 O ATOM 1945 OD2 ASP A 120 -10.160 20.579 -5.503 1.00 0.00 O ATOM 0 H ASP A 120 -7.126 20.642 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.273 21.447 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.553 22.183 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.637 23.364 -5.723 1.00 0.00 H new TER 1950 ASP A 120