USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 736 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 51 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00441) USER MOD Set 1.2: A 63 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Set 2.1: A 53 GLN : amide:sc= 0 X(o=-0.005,f=-0.046) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 165:sc=-0.00498 (180deg=-0.263) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 26 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.062) USER MOD Single : A 29 MET CE :methyl 157:sc= -0.486 (180deg=-1.27) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 33 ASN : amide:sc= -11.1! C(o=-11!,f=-21!) USER MOD Single : A 36 SER OG : rot -87:sc= -0.659! USER MOD Single : A 37 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 106:sc= -0.5! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.683 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 130:sc= -2.42! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-3.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 5:sc= 0.144 USER MOD Single : A 93 THR OG1 : rot -140:sc= -1.55! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 17:sc= -0.0548 USER MOD Single : A 106 ASN : amide:sc= -1.77! C(o=-1.8!,f=-0.27!) USER MOD Single : A 107 GLN : amide:sc= -0.304 K(o=-0.3,f=-2!) USER MOD Single : A 109 LYS NZ :NH3+ -156:sc= -2.38! (180deg=-3.82!) USER MOD Single : A 113 SER OG : rot -11:sc= 0.511! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -15.176 -1.500 16.827 1.00 0.00 N ATOM 8 CA ALA A 10 -13.867 -0.835 17.088 1.00 0.00 C ATOM 9 C ALA A 10 -12.868 -1.230 15.998 1.00 0.00 C ATOM 10 O ALA A 10 -13.086 -2.179 15.270 1.00 0.00 O ATOM 11 CB ALA A 10 -13.334 -1.273 18.453 1.00 0.00 C ATOM 0 HA ALA A 10 -14.002 0.247 17.082 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.377 -0.787 18.643 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.045 -0.990 19.229 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.199 -2.355 18.461 1.00 0.00 H new ATOM 17 N PRO A 11 -11.800 -0.479 15.918 1.00 0.00 N ATOM 18 CA PRO A 11 -10.712 -0.696 14.919 1.00 0.00 C ATOM 19 C PRO A 11 -9.735 -1.769 15.409 1.00 0.00 C ATOM 20 O PRO A 11 -9.262 -1.728 16.527 1.00 0.00 O ATOM 21 CB PRO A 11 -10.038 0.667 14.851 1.00 0.00 C ATOM 22 CG PRO A 11 -10.331 1.382 16.167 1.00 0.00 C ATOM 23 CD PRO A 11 -11.536 0.690 16.815 1.00 0.00 C ATOM 0 HA PRO A 11 -11.073 -1.045 13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.964 0.558 14.703 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.419 1.243 14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.465 1.339 16.827 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.545 2.436 15.990 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.314 0.371 17.833 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.398 1.355 16.870 1.00 0.00 H new ATOM 31 N VAL A 12 -9.426 -2.728 14.578 1.00 0.00 N ATOM 32 CA VAL A 12 -8.478 -3.800 14.993 1.00 0.00 C ATOM 33 C VAL A 12 -7.486 -4.067 13.858 1.00 0.00 C ATOM 34 O VAL A 12 -7.783 -3.821 12.705 1.00 0.00 O ATOM 35 CB VAL A 12 -9.260 -5.078 15.305 1.00 0.00 C ATOM 36 CG1 VAL A 12 -10.222 -4.812 16.465 1.00 0.00 C ATOM 37 CG2 VAL A 12 -10.054 -5.505 14.070 1.00 0.00 C ATOM 0 H VAL A 12 -9.790 -2.815 13.629 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.934 -3.484 15.883 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.567 -5.872 15.581 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.781 -5.720 16.690 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.655 -4.507 17.345 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.916 -4.019 16.188 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.611 -6.415 14.292 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.749 -4.713 13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.368 -5.692 13.243 1.00 0.00 H new ATOM 47 N PRO A 13 -6.331 -4.559 14.222 1.00 0.00 N ATOM 48 CA PRO A 13 -5.234 -4.880 13.258 1.00 0.00 C ATOM 49 C PRO A 13 -5.497 -6.220 12.562 1.00 0.00 C ATOM 50 O PRO A 13 -5.121 -7.266 13.053 1.00 0.00 O ATOM 51 CB PRO A 13 -4.006 -4.964 14.153 1.00 0.00 C ATOM 52 CG PRO A 13 -4.497 -5.291 15.558 1.00 0.00 C ATOM 53 CD PRO A 13 -5.967 -4.864 15.642 1.00 0.00 C ATOM 0 HA PRO A 13 -5.133 -4.146 12.458 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.321 -5.733 13.796 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.459 -4.021 14.146 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.395 -6.357 15.762 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.902 -4.765 16.305 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.591 -5.657 16.054 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.095 -3.992 16.284 1.00 0.00 H new ATOM 61 N VAL A 14 -6.149 -6.186 11.427 1.00 0.00 N ATOM 62 CA VAL A 14 -6.459 -7.447 10.679 1.00 0.00 C ATOM 63 C VAL A 14 -5.327 -8.454 10.838 1.00 0.00 C ATOM 64 O VAL A 14 -4.163 -8.145 10.682 1.00 0.00 O ATOM 65 CB VAL A 14 -6.642 -7.131 9.186 1.00 0.00 C ATOM 66 CG1 VAL A 14 -5.407 -6.396 8.667 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.827 -8.408 8.349 1.00 0.00 C ATOM 0 H VAL A 14 -6.483 -5.332 10.981 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.376 -7.873 11.085 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.537 -6.516 9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.536 -6.171 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.277 -5.467 9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.527 -7.025 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.953 -8.140 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.949 -9.045 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.710 -8.945 8.695 1.00 0.00 H new ATOM 77 N ASP A 15 -5.681 -9.660 11.141 1.00 0.00 N ATOM 78 CA ASP A 15 -4.659 -10.734 11.312 1.00 0.00 C ATOM 79 C ASP A 15 -3.816 -10.827 10.033 1.00 0.00 C ATOM 80 O ASP A 15 -4.325 -10.702 8.939 1.00 0.00 O ATOM 81 CB ASP A 15 -5.377 -12.074 11.560 1.00 0.00 C ATOM 82 CG ASP A 15 -6.584 -12.181 10.627 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.391 -12.554 9.481 1.00 0.00 O ATOM 84 OD2 ASP A 15 -7.681 -11.889 11.073 1.00 0.00 O ATOM 0 H ASP A 15 -6.646 -9.960 11.281 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.012 -10.507 12.159 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.693 -12.904 11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.699 -12.140 12.599 1.00 0.00 H new ATOM 89 N GLU A 16 -2.530 -11.045 10.156 1.00 0.00 N ATOM 90 CA GLU A 16 -1.676 -11.143 8.938 1.00 0.00 C ATOM 91 C GLU A 16 -1.647 -12.598 8.458 1.00 0.00 C ATOM 92 O GLU A 16 -0.698 -13.036 7.840 1.00 0.00 O ATOM 93 CB GLU A 16 -0.252 -10.666 9.263 1.00 0.00 C ATOM 94 CG GLU A 16 -0.192 -9.140 9.157 1.00 0.00 C ATOM 95 CD GLU A 16 -0.785 -8.516 10.420 1.00 0.00 C ATOM 96 OE1 GLU A 16 -0.574 -9.069 11.488 1.00 0.00 O ATOM 97 OE2 GLU A 16 -1.441 -7.494 10.301 1.00 0.00 O ATOM 0 H GLU A 16 -2.039 -11.158 11.043 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.087 -10.512 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.030 -10.983 10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.461 -11.118 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.840 -8.814 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.744 -8.804 8.279 1.00 0.00 H new ATOM 104 N ASN A 17 -2.684 -13.348 8.737 1.00 0.00 N ATOM 105 CA ASN A 17 -2.719 -14.767 8.297 1.00 0.00 C ATOM 106 C ASN A 17 -4.005 -15.031 7.506 1.00 0.00 C ATOM 107 O ASN A 17 -4.387 -16.164 7.292 1.00 0.00 O ATOM 108 CB ASN A 17 -2.688 -15.674 9.518 1.00 0.00 C ATOM 109 CG ASN A 17 -1.259 -16.162 9.759 1.00 0.00 C ATOM 110 OD1 ASN A 17 -0.668 -16.791 8.906 1.00 0.00 O ATOM 111 ND2 ASN A 17 -0.676 -15.896 10.896 1.00 0.00 N ATOM 0 H ASN A 17 -3.507 -13.034 9.252 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.855 -14.970 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.051 -15.135 10.393 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.353 -16.525 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.277 -16.217 11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.173 -15.367 11.613 1.00 0.00 H new ATOM 118 N ASP A 18 -4.681 -13.996 7.075 1.00 0.00 N ATOM 119 CA ASP A 18 -5.942 -14.201 6.308 1.00 0.00 C ATOM 120 C ASP A 18 -5.615 -14.484 4.838 1.00 0.00 C ATOM 121 O ASP A 18 -4.868 -13.762 4.207 1.00 0.00 O ATOM 122 CB ASP A 18 -6.808 -12.943 6.406 1.00 0.00 C ATOM 123 CG ASP A 18 -8.035 -13.097 5.503 1.00 0.00 C ATOM 124 OD1 ASP A 18 -8.446 -14.226 5.285 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.543 -12.087 5.047 1.00 0.00 O ATOM 0 H ASP A 18 -4.414 -13.023 7.221 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.483 -15.050 6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.120 -12.783 7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.231 -12.067 6.108 1.00 0.00 H new ATOM 130 N GLU A 19 -6.167 -15.534 4.292 1.00 0.00 N ATOM 131 CA GLU A 19 -5.886 -15.873 2.862 1.00 0.00 C ATOM 132 C GLU A 19 -6.713 -14.963 1.931 1.00 0.00 C ATOM 133 O GLU A 19 -6.217 -14.472 0.939 1.00 0.00 O ATOM 134 CB GLU A 19 -6.227 -17.361 2.621 1.00 0.00 C ATOM 135 CG GLU A 19 -6.812 -17.565 1.222 1.00 0.00 C ATOM 136 CD GLU A 19 -5.854 -16.986 0.178 1.00 0.00 C ATOM 137 OE1 GLU A 19 -4.662 -16.976 0.436 1.00 0.00 O ATOM 138 OE2 GLU A 19 -6.329 -16.563 -0.862 1.00 0.00 O ATOM 0 H GLU A 19 -6.801 -16.173 4.772 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.831 -15.710 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.329 -17.968 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.940 -17.701 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.972 -18.627 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.784 -17.078 1.148 1.00 0.00 H new ATOM 145 N GLY A 20 -7.968 -14.746 2.230 1.00 0.00 N ATOM 146 CA GLY A 20 -8.805 -13.884 1.346 1.00 0.00 C ATOM 147 C GLY A 20 -8.240 -12.460 1.314 1.00 0.00 C ATOM 148 O GLY A 20 -8.369 -11.755 0.333 1.00 0.00 O ATOM 0 H GLY A 20 -8.447 -15.128 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.828 -14.297 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.833 -13.868 1.708 1.00 0.00 H new ATOM 152 N LEU A 21 -7.621 -12.024 2.378 1.00 0.00 N ATOM 153 CA LEU A 21 -7.059 -10.642 2.402 1.00 0.00 C ATOM 154 C LEU A 21 -5.845 -10.555 1.472 1.00 0.00 C ATOM 155 O LEU A 21 -5.425 -9.482 1.087 1.00 0.00 O ATOM 156 CB LEU A 21 -6.641 -10.303 3.830 1.00 0.00 C ATOM 157 CG LEU A 21 -6.044 -8.897 3.873 1.00 0.00 C ATOM 158 CD1 LEU A 21 -7.164 -7.862 3.740 1.00 0.00 C ATOM 159 CD2 LEU A 21 -5.324 -8.700 5.205 1.00 0.00 C ATOM 0 H LEU A 21 -7.480 -12.565 3.231 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.814 -9.934 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.502 -10.363 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.911 -11.029 4.187 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.338 -8.772 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.738 -6.859 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.683 -8.007 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.870 -7.982 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.895 -7.698 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.033 -8.822 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.528 -9.439 5.301 1.00 0.00 H new ATOM 171 N GLN A 22 -5.278 -11.673 1.102 1.00 0.00 N ATOM 172 CA GLN A 22 -4.102 -11.647 0.196 1.00 0.00 C ATOM 173 C GLN A 22 -4.504 -11.020 -1.139 1.00 0.00 C ATOM 174 O GLN A 22 -3.668 -10.662 -1.943 1.00 0.00 O ATOM 175 CB GLN A 22 -3.578 -13.068 0.001 1.00 0.00 C ATOM 176 CG GLN A 22 -2.104 -13.007 -0.378 1.00 0.00 C ATOM 177 CD GLN A 22 -1.896 -13.667 -1.743 1.00 0.00 C ATOM 178 OE1 GLN A 22 -2.050 -13.031 -2.768 1.00 0.00 O ATOM 179 NE2 GLN A 22 -1.552 -14.923 -1.801 1.00 0.00 N ATOM 0 H GLN A 22 -5.582 -12.603 1.391 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.305 -11.045 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.707 -13.646 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.146 -13.575 -0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.769 -11.970 -0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.503 -13.513 0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.423 -15.457 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.412 -15.372 -2.706 1.00 0.00 H new ATOM 188 N ARG A 23 -5.781 -10.866 -1.372 1.00 0.00 N ATOM 189 CA ARG A 23 -6.231 -10.237 -2.644 1.00 0.00 C ATOM 190 C ARG A 23 -5.949 -8.739 -2.555 1.00 0.00 C ATOM 191 O ARG A 23 -5.550 -8.106 -3.514 1.00 0.00 O ATOM 192 CB ARG A 23 -7.734 -10.475 -2.823 1.00 0.00 C ATOM 193 CG ARG A 23 -8.288 -9.531 -3.894 1.00 0.00 C ATOM 194 CD ARG A 23 -7.760 -9.947 -5.267 1.00 0.00 C ATOM 195 NE ARG A 23 -8.167 -8.935 -6.282 1.00 0.00 N ATOM 196 CZ ARG A 23 -8.364 -9.298 -7.520 1.00 0.00 C ATOM 197 NH1 ARG A 23 -7.656 -10.264 -8.034 1.00 0.00 N ATOM 198 NH2 ARG A 23 -9.266 -8.693 -8.242 1.00 0.00 N ATOM 0 H ARG A 23 -6.528 -11.148 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.703 -10.668 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.915 -11.511 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.252 -10.311 -1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.378 -9.558 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.994 -8.504 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.674 -10.034 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.152 -10.927 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.291 -7.960 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.949 -10.735 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.809 -10.549 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.818 -7.936 -7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.420 -8.977 -9.210 1.00 0.00 H new ATOM 212 N ALA A 24 -6.145 -8.173 -1.395 1.00 0.00 N ATOM 213 CA ALA A 24 -5.888 -6.725 -1.208 1.00 0.00 C ATOM 214 C ALA A 24 -4.409 -6.430 -1.493 1.00 0.00 C ATOM 215 O ALA A 24 -4.008 -5.293 -1.633 1.00 0.00 O ATOM 216 CB ALA A 24 -6.216 -6.339 0.236 1.00 0.00 C ATOM 0 H ALA A 24 -6.476 -8.661 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.511 -6.149 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.029 -5.275 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.265 -6.554 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.588 -6.913 0.918 1.00 0.00 H new ATOM 222 N LEU A 25 -3.589 -7.448 -1.562 1.00 0.00 N ATOM 223 CA LEU A 25 -2.149 -7.235 -1.824 1.00 0.00 C ATOM 224 C LEU A 25 -1.930 -7.039 -3.332 1.00 0.00 C ATOM 225 O LEU A 25 -1.282 -6.099 -3.747 1.00 0.00 O ATOM 226 CB LEU A 25 -1.387 -8.454 -1.277 1.00 0.00 C ATOM 227 CG LEU A 25 -0.072 -8.667 -2.027 1.00 0.00 C ATOM 228 CD1 LEU A 25 -0.380 -9.343 -3.363 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.625 -7.324 -2.268 1.00 0.00 C ATOM 0 H LEU A 25 -3.866 -8.423 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.777 -6.339 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.184 -8.313 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.008 -9.345 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 25 0.593 -9.296 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.548 -9.503 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.865 -10.302 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.043 -8.706 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.560 -7.490 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.023 -6.679 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.834 -6.846 -1.311 1.00 0.00 H new ATOM 241 N GLN A 26 -2.472 -7.893 -4.160 1.00 0.00 N ATOM 242 CA GLN A 26 -2.289 -7.697 -5.632 1.00 0.00 C ATOM 243 C GLN A 26 -2.857 -6.318 -5.987 1.00 0.00 C ATOM 244 O GLN A 26 -2.424 -5.669 -6.918 1.00 0.00 O ATOM 245 CB GLN A 26 -3.059 -8.794 -6.417 1.00 0.00 C ATOM 246 CG GLN A 26 -2.260 -10.114 -6.485 1.00 0.00 C ATOM 247 CD GLN A 26 -2.713 -10.935 -7.704 1.00 0.00 C ATOM 248 OE1 GLN A 26 -2.093 -11.924 -8.038 1.00 0.00 O ATOM 249 NE2 GLN A 26 -3.769 -10.571 -8.390 1.00 0.00 N ATOM 0 H GLN A 26 -3.025 -8.706 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.233 -7.763 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.022 -8.975 -5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.266 -8.441 -7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.193 -9.901 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.411 -10.689 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.295 -9.741 -8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.065 -11.118 -9.199 1.00 0.00 H new ATOM 258 N PHE A 27 -3.813 -5.869 -5.224 1.00 0.00 N ATOM 259 CA PHE A 27 -4.422 -4.529 -5.456 1.00 0.00 C ATOM 260 C PHE A 27 -3.314 -3.498 -5.631 1.00 0.00 C ATOM 261 O PHE A 27 -3.291 -2.724 -6.567 1.00 0.00 O ATOM 262 CB PHE A 27 -5.212 -4.117 -4.218 1.00 0.00 C ATOM 263 CG PHE A 27 -6.701 -4.277 -4.419 1.00 0.00 C ATOM 264 CD1 PHE A 27 -7.301 -5.541 -4.329 1.00 0.00 C ATOM 265 CD2 PHE A 27 -7.494 -3.143 -4.654 1.00 0.00 C ATOM 266 CE1 PHE A 27 -8.683 -5.667 -4.479 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.876 -3.271 -4.787 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.467 -4.531 -4.704 1.00 0.00 C ATOM 0 H PHE A 27 -4.205 -6.383 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.061 -4.578 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.894 -4.720 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.988 -3.078 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.695 -6.416 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.033 -2.170 -4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.146 -6.641 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.487 -2.396 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.537 -4.630 -4.814 1.00 0.00 H new ATOM 278 N ALA A 28 -2.420 -3.470 -4.688 1.00 0.00 N ATOM 279 CA ALA A 28 -1.309 -2.489 -4.703 1.00 0.00 C ATOM 280 C ALA A 28 -0.331 -2.773 -5.847 1.00 0.00 C ATOM 281 O ALA A 28 0.170 -1.866 -6.481 1.00 0.00 O ATOM 282 CB ALA A 28 -0.590 -2.597 -3.364 1.00 0.00 C ATOM 0 H ALA A 28 -2.414 -4.103 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.704 -1.485 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.237 -1.888 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.288 -2.372 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.205 -3.609 -3.239 1.00 0.00 H new ATOM 288 N MET A 29 -0.039 -4.015 -6.112 1.00 0.00 N ATOM 289 CA MET A 29 0.921 -4.332 -7.208 1.00 0.00 C ATOM 290 C MET A 29 0.353 -3.885 -8.557 1.00 0.00 C ATOM 291 O MET A 29 1.083 -3.674 -9.504 1.00 0.00 O ATOM 292 CB MET A 29 1.178 -5.840 -7.242 1.00 0.00 C ATOM 293 CG MET A 29 2.503 -6.146 -6.544 1.00 0.00 C ATOM 294 SD MET A 29 3.805 -6.353 -7.785 1.00 0.00 S ATOM 295 CE MET A 29 4.206 -4.600 -7.984 1.00 0.00 C ATOM 0 H MET A 29 -0.421 -4.823 -5.620 1.00 0.00 H new ATOM 0 HA MET A 29 1.855 -3.802 -7.022 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.363 -6.370 -6.748 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.208 -6.192 -8.273 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.762 -5.337 -5.861 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.410 -7.052 -5.944 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.220 -4.500 -8.372 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.504 -4.143 -8.681 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.136 -4.099 -7.018 1.00 0.00 H new ATOM 305 N ALA A 30 -0.941 -3.741 -8.661 1.00 0.00 N ATOM 306 CA ALA A 30 -1.525 -3.312 -9.962 1.00 0.00 C ATOM 307 C ALA A 30 -1.574 -1.785 -10.029 1.00 0.00 C ATOM 308 O ALA A 30 -1.043 -1.181 -10.935 1.00 0.00 O ATOM 309 CB ALA A 30 -2.940 -3.879 -10.102 1.00 0.00 C ATOM 0 H ALA A 30 -1.612 -3.900 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.903 -3.687 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.366 -3.564 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.901 -4.968 -10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.562 -3.510 -9.287 1.00 0.00 H new ATOM 315 N GLU A 31 -2.197 -1.143 -9.082 1.00 0.00 N ATOM 316 CA GLU A 31 -2.246 0.345 -9.129 1.00 0.00 C ATOM 317 C GLU A 31 -0.823 0.869 -9.286 1.00 0.00 C ATOM 318 O GLU A 31 -0.584 1.879 -9.914 1.00 0.00 O ATOM 319 CB GLU A 31 -2.865 0.886 -7.839 1.00 0.00 C ATOM 320 CG GLU A 31 -4.105 0.062 -7.482 1.00 0.00 C ATOM 321 CD GLU A 31 -5.207 0.993 -6.975 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.043 1.543 -5.899 1.00 0.00 O ATOM 323 OE2 GLU A 31 -6.198 1.140 -7.672 1.00 0.00 O ATOM 0 H GLU A 31 -2.668 -1.576 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.858 0.673 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.139 0.840 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.136 1.934 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.453 -0.489 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.857 -0.675 -6.718 1.00 0.00 H new ATOM 330 N TYR A 32 0.126 0.178 -8.730 1.00 0.00 N ATOM 331 CA TYR A 32 1.548 0.631 -8.867 1.00 0.00 C ATOM 332 C TYR A 32 2.065 0.289 -10.266 1.00 0.00 C ATOM 333 O TYR A 32 2.890 0.987 -10.820 1.00 0.00 O ATOM 334 CB TYR A 32 2.434 -0.067 -7.836 1.00 0.00 C ATOM 335 CG TYR A 32 3.746 0.687 -7.708 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.773 1.957 -7.112 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.937 0.120 -8.185 1.00 0.00 C ATOM 338 CE1 TYR A 32 4.983 2.652 -6.993 1.00 0.00 C ATOM 339 CE2 TYR A 32 6.145 0.818 -8.065 1.00 0.00 C ATOM 340 CZ TYR A 32 6.169 2.083 -7.469 1.00 0.00 C ATOM 341 OH TYR A 32 7.360 2.768 -7.349 1.00 0.00 O ATOM 0 H TYR A 32 -0.011 -0.676 -8.189 1.00 0.00 H new ATOM 0 HA TYR A 32 1.582 1.708 -8.705 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.928 -0.105 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.622 -1.097 -8.139 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.859 2.399 -6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.922 -0.857 -8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.001 3.629 -6.533 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.060 0.379 -8.433 1.00 0.00 H new ATOM 0 HH TYR A 32 8.086 2.231 -7.729 1.00 0.00 H new ATOM 351 N ASN A 33 1.605 -0.795 -10.830 1.00 0.00 N ATOM 352 CA ASN A 33 2.099 -1.194 -12.193 1.00 0.00 C ATOM 353 C ASN A 33 1.775 -0.108 -13.231 1.00 0.00 C ATOM 354 O ASN A 33 2.449 0.000 -14.236 1.00 0.00 O ATOM 355 CB ASN A 33 1.493 -2.544 -12.664 1.00 0.00 C ATOM 356 CG ASN A 33 -0.028 -2.395 -12.930 1.00 0.00 C ATOM 357 OD1 ASN A 33 -0.498 -1.308 -13.188 1.00 0.00 O ATOM 358 ND2 ASN A 33 -0.831 -3.442 -12.896 1.00 0.00 N ATOM 0 H ASN A 33 0.914 -1.421 -10.416 1.00 0.00 H new ATOM 0 HA ASN A 33 3.179 -1.313 -12.109 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.996 -2.878 -13.572 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.662 -3.309 -11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.827 -3.327 -13.085 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.456 -4.366 -12.681 1.00 0.00 H new ATOM 365 N ARG A 34 0.754 0.688 -13.027 1.00 0.00 N ATOM 366 CA ARG A 34 0.424 1.719 -14.025 1.00 0.00 C ATOM 367 C ARG A 34 1.365 2.922 -13.886 1.00 0.00 C ATOM 368 O ARG A 34 1.716 3.561 -14.858 1.00 0.00 O ATOM 369 CB ARG A 34 -1.019 2.146 -13.795 1.00 0.00 C ATOM 370 CG ARG A 34 -1.265 2.410 -12.309 1.00 0.00 C ATOM 371 CD ARG A 34 -2.351 3.478 -12.155 1.00 0.00 C ATOM 372 NE ARG A 34 -1.937 4.456 -11.110 1.00 0.00 N ATOM 373 CZ ARG A 34 -2.171 4.205 -9.851 1.00 0.00 C ATOM 374 NH1 ARG A 34 -3.379 3.905 -9.458 1.00 0.00 N ATOM 375 NH2 ARG A 34 -1.195 4.255 -8.985 1.00 0.00 N ATOM 0 H ARG A 34 0.144 0.659 -12.210 1.00 0.00 H new ATOM 0 HA ARG A 34 0.545 1.320 -15.032 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.235 3.045 -14.372 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.696 1.369 -14.150 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.571 1.490 -11.811 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.344 2.741 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.511 3.989 -13.104 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.298 3.013 -11.879 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.470 5.322 -11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.141 3.867 -10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.561 3.709 -8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.251 4.490 -9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.376 4.059 -8.001 1.00 0.00 H new ATOM 389 N ALA A 35 1.770 3.242 -12.686 1.00 0.00 N ATOM 390 CA ALA A 35 2.680 4.411 -12.490 1.00 0.00 C ATOM 391 C ALA A 35 4.153 3.970 -12.569 1.00 0.00 C ATOM 392 O ALA A 35 5.041 4.792 -12.673 1.00 0.00 O ATOM 393 CB ALA A 35 2.415 5.024 -11.114 1.00 0.00 C ATOM 0 H ALA A 35 1.511 2.746 -11.833 1.00 0.00 H new ATOM 0 HA ALA A 35 2.489 5.142 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.075 5.878 -10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.377 5.353 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.603 4.279 -10.341 1.00 0.00 H new ATOM 399 N SER A 36 4.429 2.689 -12.508 1.00 0.00 N ATOM 400 CA SER A 36 5.846 2.228 -12.566 1.00 0.00 C ATOM 401 C SER A 36 6.333 2.192 -14.012 1.00 0.00 C ATOM 402 O SER A 36 7.447 1.799 -14.276 1.00 0.00 O ATOM 403 CB SER A 36 5.968 0.843 -11.909 1.00 0.00 C ATOM 404 OG SER A 36 4.728 0.159 -12.012 1.00 0.00 O ATOM 0 H SER A 36 3.734 1.947 -12.421 1.00 0.00 H new ATOM 0 HA SER A 36 6.475 2.929 -12.017 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.755 0.266 -12.395 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.251 0.949 -10.862 1.00 0.00 H new ATOM 0 HG SER A 36 4.159 0.397 -11.251 1.00 0.00 H new ATOM 410 N ASN A 37 5.490 2.585 -14.939 1.00 0.00 N ATOM 411 CA ASN A 37 5.868 2.580 -16.398 1.00 0.00 C ATOM 412 C ASN A 37 7.389 2.635 -16.570 1.00 0.00 C ATOM 413 O ASN A 37 7.994 1.745 -17.133 1.00 0.00 O ATOM 414 CB ASN A 37 5.253 3.790 -17.096 1.00 0.00 C ATOM 415 CG ASN A 37 3.732 3.768 -16.928 1.00 0.00 C ATOM 416 OD1 ASN A 37 3.118 4.795 -16.719 1.00 0.00 O ATOM 417 ND2 ASN A 37 3.095 2.633 -17.012 1.00 0.00 N ATOM 0 H ASN A 37 4.543 2.914 -14.748 1.00 0.00 H new ATOM 0 HA ASN A 37 5.492 1.657 -16.840 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.661 4.710 -16.677 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.511 3.781 -18.155 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.081 2.608 -16.902 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.611 1.771 -17.188 1.00 0.00 H new ATOM 424 N ASP A 38 8.010 3.675 -16.083 1.00 0.00 N ATOM 425 CA ASP A 38 9.478 3.801 -16.200 1.00 0.00 C ATOM 426 C ASP A 38 10.158 2.595 -15.558 1.00 0.00 C ATOM 427 O ASP A 38 9.534 1.600 -15.251 1.00 0.00 O ATOM 428 CB ASP A 38 9.897 5.078 -15.474 1.00 0.00 C ATOM 429 CG ASP A 38 9.895 4.848 -13.960 1.00 0.00 C ATOM 430 OD1 ASP A 38 9.272 3.893 -13.526 1.00 0.00 O ATOM 431 OD2 ASP A 38 10.515 5.633 -13.264 1.00 0.00 O ATOM 0 H ASP A 38 7.550 4.449 -15.604 1.00 0.00 H new ATOM 0 HA ASP A 38 9.772 3.843 -17.249 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.891 5.383 -15.802 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.215 5.890 -15.727 1.00 0.00 H new ATOM 436 N LYS A 39 11.435 2.686 -15.346 1.00 0.00 N ATOM 437 CA LYS A 39 12.163 1.549 -14.704 1.00 0.00 C ATOM 438 C LYS A 39 13.223 2.115 -13.755 1.00 0.00 C ATOM 439 O LYS A 39 14.319 1.603 -13.685 1.00 0.00 O ATOM 440 CB LYS A 39 12.865 0.696 -15.772 1.00 0.00 C ATOM 441 CG LYS A 39 13.027 -0.730 -15.251 1.00 0.00 C ATOM 442 CD LYS A 39 13.697 -1.590 -16.325 1.00 0.00 C ATOM 443 CE LYS A 39 13.258 -3.046 -16.157 1.00 0.00 C ATOM 444 NZ LYS A 39 14.457 -3.930 -16.176 1.00 0.00 N ATOM 0 H LYS A 39 12.011 3.493 -15.586 1.00 0.00 H new ATOM 0 HA LYS A 39 11.450 0.930 -14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.283 0.695 -16.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.840 1.121 -16.011 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.628 -0.731 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.054 -1.147 -14.990 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.426 -1.229 -17.317 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.781 -1.514 -16.243 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.717 -3.168 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.574 -3.326 -16.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.160 -4.920 -16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.955 -3.820 -17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.094 -3.668 -15.397 1.00 0.00 H new ATOM 458 N TYR A 40 12.930 3.184 -13.043 1.00 0.00 N ATOM 459 CA TYR A 40 13.960 3.772 -12.149 1.00 0.00 C ATOM 460 C TYR A 40 13.378 5.040 -11.506 1.00 0.00 C ATOM 461 O TYR A 40 12.474 5.642 -12.046 1.00 0.00 O ATOM 462 CB TYR A 40 15.165 4.189 -13.024 1.00 0.00 C ATOM 463 CG TYR A 40 16.280 3.105 -13.104 1.00 0.00 C ATOM 464 CD1 TYR A 40 16.992 2.724 -11.941 1.00 0.00 C ATOM 465 CD2 TYR A 40 16.634 2.485 -14.335 1.00 0.00 C ATOM 466 CE1 TYR A 40 18.005 1.765 -12.001 1.00 0.00 C ATOM 467 CE2 TYR A 40 17.651 1.524 -14.376 1.00 0.00 C ATOM 468 CZ TYR A 40 18.332 1.163 -13.214 1.00 0.00 C ATOM 469 OH TYR A 40 19.334 0.215 -13.266 1.00 0.00 O ATOM 0 H TYR A 40 12.029 3.663 -13.048 1.00 0.00 H new ATOM 0 HA TYR A 40 14.260 3.057 -11.383 1.00 0.00 H new ATOM 0 HB2 TYR A 40 14.813 4.411 -14.031 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.592 5.109 -12.625 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.748 3.182 -10.994 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.115 2.757 -15.242 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.537 1.489 -11.103 1.00 0.00 H new ATOM 0 HE2 TYR A 40 17.910 1.058 -15.315 1.00 0.00 H new ATOM 0 HH TYR A 40 19.434 -0.105 -14.187 1.00 0.00 H new ATOM 479 N SER A 41 13.898 5.465 -10.372 1.00 0.00 N ATOM 480 CA SER A 41 13.389 6.711 -9.723 1.00 0.00 C ATOM 481 C SER A 41 12.203 6.433 -8.839 1.00 0.00 C ATOM 482 O SER A 41 11.882 7.191 -7.963 1.00 0.00 O ATOM 483 CB SER A 41 12.999 7.755 -10.771 1.00 0.00 C ATOM 484 OG SER A 41 13.761 7.555 -11.954 1.00 0.00 O ATOM 0 H SER A 41 14.654 4.998 -9.872 1.00 0.00 H new ATOM 0 HA SER A 41 14.201 7.100 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.935 7.679 -10.995 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.172 8.758 -10.381 1.00 0.00 H new ATOM 0 HG SER A 41 13.191 7.161 -12.647 1.00 0.00 H new ATOM 490 N SER A 42 11.570 5.359 -9.062 1.00 0.00 N ATOM 491 CA SER A 42 10.377 4.999 -8.229 1.00 0.00 C ATOM 492 C SER A 42 10.736 3.842 -7.272 1.00 0.00 C ATOM 493 O SER A 42 11.411 2.915 -7.666 1.00 0.00 O ATOM 494 CB SER A 42 9.220 4.555 -9.138 1.00 0.00 C ATOM 495 OG SER A 42 9.123 5.436 -10.247 1.00 0.00 O ATOM 0 H SER A 42 11.808 4.685 -9.790 1.00 0.00 H new ATOM 0 HA SER A 42 10.075 5.873 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.386 3.535 -9.484 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.284 4.553 -8.579 1.00 0.00 H new ATOM 0 HG SER A 42 8.386 5.152 -10.827 1.00 0.00 H new ATOM 501 N ARG A 43 10.263 3.854 -6.033 1.00 0.00 N ATOM 502 CA ARG A 43 10.572 2.713 -5.106 1.00 0.00 C ATOM 503 C ARG A 43 9.840 2.937 -3.785 1.00 0.00 C ATOM 504 O ARG A 43 9.379 4.022 -3.504 1.00 0.00 O ATOM 505 CB ARG A 43 12.082 2.555 -4.834 1.00 0.00 C ATOM 506 CG ARG A 43 12.697 1.642 -5.897 1.00 0.00 C ATOM 507 CD ARG A 43 13.609 0.617 -5.220 1.00 0.00 C ATOM 508 NE ARG A 43 12.807 -0.577 -4.822 1.00 0.00 N ATOM 509 CZ ARG A 43 12.522 -0.784 -3.566 1.00 0.00 C ATOM 510 NH1 ARG A 43 13.388 -0.476 -2.638 1.00 0.00 N ATOM 511 NH2 ARG A 43 11.371 -1.306 -3.235 1.00 0.00 N ATOM 0 H ARG A 43 9.686 4.595 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 43 10.237 1.796 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.570 3.530 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.242 2.135 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.911 1.133 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.266 2.233 -6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.409 0.321 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.083 1.059 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 43 12.481 -1.232 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.289 -0.073 -2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.163 -0.639 -1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.695 -1.552 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.148 -1.468 -2.253 1.00 0.00 H new ATOM 525 N VAL A 44 9.714 1.918 -2.980 1.00 0.00 N ATOM 526 CA VAL A 44 8.994 2.082 -1.685 1.00 0.00 C ATOM 527 C VAL A 44 9.990 1.997 -0.525 1.00 0.00 C ATOM 528 O VAL A 44 11.124 1.592 -0.691 1.00 0.00 O ATOM 529 CB VAL A 44 7.932 0.971 -1.545 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.594 -0.328 -1.073 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.880 1.404 -0.522 1.00 0.00 C ATOM 0 H VAL A 44 10.077 0.982 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 44 8.504 3.056 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 44 7.460 0.801 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.838 -1.107 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.345 -0.639 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.071 -0.163 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.128 0.622 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.359 1.575 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.403 2.325 -0.858 1.00 0.00 H new ATOM 541 N VAL A 45 9.567 2.371 0.651 1.00 0.00 N ATOM 542 CA VAL A 45 10.475 2.311 1.830 1.00 0.00 C ATOM 543 C VAL A 45 9.987 1.210 2.771 1.00 0.00 C ATOM 544 O VAL A 45 10.712 0.297 3.110 1.00 0.00 O ATOM 545 CB VAL A 45 10.453 3.650 2.575 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.754 3.814 3.364 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.310 4.807 1.582 1.00 0.00 C ATOM 0 H VAL A 45 8.628 2.717 0.846 1.00 0.00 H new ATOM 0 HA VAL A 45 11.491 2.102 1.496 1.00 0.00 H new ATOM 0 HB VAL A 45 9.603 3.662 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.740 4.766 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.849 3.000 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.601 3.793 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.296 5.752 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.152 4.799 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.380 4.695 1.024 1.00 0.00 H new ATOM 557 N ARG A 46 8.756 1.296 3.194 1.00 0.00 N ATOM 558 CA ARG A 46 8.202 0.262 4.115 1.00 0.00 C ATOM 559 C ARG A 46 6.721 0.558 4.360 1.00 0.00 C ATOM 560 O ARG A 46 6.216 1.595 3.976 1.00 0.00 O ATOM 561 CB ARG A 46 8.959 0.312 5.445 1.00 0.00 C ATOM 562 CG ARG A 46 9.552 -1.066 5.750 1.00 0.00 C ATOM 563 CD ARG A 46 10.542 -0.946 6.911 1.00 0.00 C ATOM 564 NE ARG A 46 9.883 -0.250 8.053 1.00 0.00 N ATOM 565 CZ ARG A 46 10.290 -0.470 9.274 1.00 0.00 C ATOM 566 NH1 ARG A 46 11.485 -0.946 9.488 1.00 0.00 N ATOM 567 NH2 ARG A 46 9.499 -0.216 10.281 1.00 0.00 N ATOM 0 H ARG A 46 8.107 2.041 2.941 1.00 0.00 H new ATOM 0 HA ARG A 46 8.312 -0.728 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.752 1.058 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.286 0.615 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.758 -1.768 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.055 -1.461 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.879 -1.935 7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.426 -0.392 6.594 1.00 0.00 H new ATOM 0 HE ARG A 46 9.114 0.398 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.102 -1.147 8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.802 -1.118 10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.563 0.154 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.817 -0.388 11.235 1.00 0.00 H new ATOM 581 N VAL A 47 6.025 -0.333 5.008 1.00 0.00 N ATOM 582 CA VAL A 47 4.580 -0.086 5.290 1.00 0.00 C ATOM 583 C VAL A 47 4.456 0.416 6.731 1.00 0.00 C ATOM 584 O VAL A 47 5.160 -0.030 7.614 1.00 0.00 O ATOM 585 CB VAL A 47 3.783 -1.395 5.090 1.00 0.00 C ATOM 586 CG1 VAL A 47 2.611 -1.474 6.078 1.00 0.00 C ATOM 587 CG2 VAL A 47 3.226 -1.441 3.662 1.00 0.00 C ATOM 0 H VAL A 47 6.391 -1.220 5.355 1.00 0.00 H new ATOM 0 HA VAL A 47 4.174 0.662 4.609 1.00 0.00 H new ATOM 0 HB VAL A 47 4.454 -2.236 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.064 -2.403 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.993 -1.447 7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.943 -0.628 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.664 -2.364 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.568 -0.587 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.050 -1.405 2.949 1.00 0.00 H new ATOM 597 N ILE A 48 3.574 1.345 6.978 1.00 0.00 N ATOM 598 CA ILE A 48 3.428 1.867 8.365 1.00 0.00 C ATOM 599 C ILE A 48 2.561 0.908 9.179 1.00 0.00 C ATOM 600 O ILE A 48 2.698 0.811 10.381 1.00 0.00 O ATOM 601 CB ILE A 48 2.776 3.250 8.328 1.00 0.00 C ATOM 602 CG1 ILE A 48 3.662 4.203 7.526 1.00 0.00 C ATOM 603 CG2 ILE A 48 2.622 3.783 9.755 1.00 0.00 C ATOM 604 CD1 ILE A 48 3.084 5.618 7.599 1.00 0.00 C ATOM 0 H ILE A 48 2.953 1.762 6.285 1.00 0.00 H new ATOM 0 HA ILE A 48 4.411 1.948 8.829 1.00 0.00 H new ATOM 0 HB ILE A 48 1.794 3.177 7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.678 4.192 7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.721 3.876 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.157 4.769 9.727 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.996 3.103 10.332 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.603 3.858 10.223 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.715 6.299 7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.077 5.621 7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.048 5.943 8.639 1.00 0.00 H new ATOM 616 N SER A 49 1.686 0.192 8.519 1.00 0.00 N ATOM 617 CA SER A 49 0.796 -0.788 9.223 1.00 0.00 C ATOM 618 C SER A 49 -0.513 -0.923 8.448 1.00 0.00 C ATOM 619 O SER A 49 -0.779 -0.188 7.520 1.00 0.00 O ATOM 620 CB SER A 49 0.474 -0.328 10.654 1.00 0.00 C ATOM 621 OG SER A 49 -0.600 -1.104 11.163 1.00 0.00 O ATOM 0 H SER A 49 1.547 0.244 7.510 1.00 0.00 H new ATOM 0 HA SER A 49 1.319 -1.743 9.274 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.352 -0.439 11.291 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.208 0.729 10.658 1.00 0.00 H new ATOM 0 HG SER A 49 -0.808 -0.816 12.076 1.00 0.00 H new ATOM 627 N ALA A 50 -1.336 -1.857 8.832 1.00 0.00 N ATOM 628 CA ALA A 50 -2.634 -2.043 8.130 1.00 0.00 C ATOM 629 C ALA A 50 -3.740 -2.201 9.175 1.00 0.00 C ATOM 630 O ALA A 50 -3.736 -3.128 9.959 1.00 0.00 O ATOM 631 CB ALA A 50 -2.568 -3.295 7.252 1.00 0.00 C ATOM 0 H ALA A 50 -1.165 -2.501 9.604 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.843 -1.179 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.520 -3.430 6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.772 -3.182 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.365 -4.166 7.875 1.00 0.00 H new ATOM 637 N LYS A 51 -4.682 -1.298 9.201 1.00 0.00 N ATOM 638 CA LYS A 51 -5.778 -1.403 10.212 1.00 0.00 C ATOM 639 C LYS A 51 -7.123 -1.514 9.496 1.00 0.00 C ATOM 640 O LYS A 51 -7.323 -0.942 8.445 1.00 0.00 O ATOM 641 CB LYS A 51 -5.778 -0.163 11.108 1.00 0.00 C ATOM 642 CG LYS A 51 -4.336 0.234 11.433 1.00 0.00 C ATOM 643 CD LYS A 51 -4.340 1.396 12.429 1.00 0.00 C ATOM 644 CE LYS A 51 -3.161 2.326 12.133 1.00 0.00 C ATOM 645 NZ LYS A 51 -3.509 3.218 10.991 1.00 0.00 N ATOM 0 H LYS A 51 -4.742 -0.497 8.572 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.617 -2.289 10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.289 0.660 10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.326 -0.366 12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.799 -0.617 11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.813 0.524 10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.278 1.947 12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.270 1.016 13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.923 2.921 13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.273 1.741 11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.637 3.545 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.089 2.694 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.044 4.038 11.342 1.00 0.00 H new ATOM 659 N ARG A 52 -8.052 -2.244 10.050 1.00 0.00 N ATOM 660 CA ARG A 52 -9.374 -2.377 9.381 1.00 0.00 C ATOM 661 C ARG A 52 -10.490 -1.979 10.337 1.00 0.00 C ATOM 662 O ARG A 52 -10.476 -2.299 11.510 1.00 0.00 O ATOM 663 CB ARG A 52 -9.584 -3.831 8.926 1.00 0.00 C ATOM 664 CG ARG A 52 -9.465 -4.766 10.130 1.00 0.00 C ATOM 665 CD ARG A 52 -10.666 -5.713 10.155 1.00 0.00 C ATOM 666 NE ARG A 52 -10.233 -7.056 10.632 1.00 0.00 N ATOM 667 CZ ARG A 52 -11.003 -7.746 11.427 1.00 0.00 C ATOM 668 NH1 ARG A 52 -12.292 -7.778 11.225 1.00 0.00 N ATOM 669 NH2 ARG A 52 -10.485 -8.404 12.427 1.00 0.00 N ATOM 0 H ARG A 52 -7.953 -2.750 10.930 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.395 -1.717 8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.565 -3.940 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.844 -4.097 8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.538 -5.337 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.425 -4.187 11.052 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.442 -5.316 10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.100 -5.792 9.158 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.334 -7.436 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.699 -7.263 10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.893 -8.318 11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.478 -8.379 12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.087 -8.944 13.049 1.00 0.00 H new ATOM 683 N GLN A 53 -11.461 -1.286 9.826 1.00 0.00 N ATOM 684 CA GLN A 53 -12.608 -0.854 10.671 1.00 0.00 C ATOM 685 C GLN A 53 -13.813 -1.740 10.357 1.00 0.00 C ATOM 686 O GLN A 53 -13.801 -2.502 9.412 1.00 0.00 O ATOM 687 CB GLN A 53 -12.953 0.605 10.361 1.00 0.00 C ATOM 688 CG GLN A 53 -11.854 1.518 10.910 1.00 0.00 C ATOM 689 CD GLN A 53 -12.477 2.827 11.402 1.00 0.00 C ATOM 690 OE1 GLN A 53 -12.751 3.714 10.619 1.00 0.00 O ATOM 691 NE2 GLN A 53 -12.713 2.985 12.675 1.00 0.00 N ATOM 0 H GLN A 53 -11.513 -0.996 8.850 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.345 -0.944 11.725 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.053 0.745 9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.913 0.865 10.807 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.329 1.023 11.727 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.116 1.723 10.135 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.483 2.240 13.333 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.128 3.853 13.013 1.00 0.00 H new ATOM 700 N LEU A 54 -14.856 -1.646 11.132 1.00 0.00 N ATOM 701 CA LEU A 54 -16.054 -2.488 10.858 1.00 0.00 C ATOM 702 C LEU A 54 -17.318 -1.619 10.983 1.00 0.00 C ATOM 703 O LEU A 54 -17.466 -0.887 11.943 1.00 0.00 O ATOM 704 CB LEU A 54 -16.123 -3.630 11.876 1.00 0.00 C ATOM 705 CG LEU A 54 -17.404 -4.434 11.650 1.00 0.00 C ATOM 706 CD1 LEU A 54 -17.110 -5.613 10.719 1.00 0.00 C ATOM 707 CD2 LEU A 54 -17.923 -4.957 12.991 1.00 0.00 C ATOM 0 H LEU A 54 -14.932 -1.027 11.939 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.987 -2.903 9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.252 -4.277 11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.105 -3.230 12.890 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.159 -3.793 11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -18.023 -6.186 10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.743 -5.239 9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.354 -6.255 11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -18.836 -5.530 12.829 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.169 -5.598 13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.134 -4.117 13.652 1.00 0.00 H new ATOM 719 N VAL A 55 -18.240 -1.682 10.044 1.00 0.00 N ATOM 720 CA VAL A 55 -19.463 -0.856 10.149 1.00 0.00 C ATOM 721 C VAL A 55 -20.457 -1.467 9.176 1.00 0.00 C ATOM 722 O VAL A 55 -20.718 -0.889 8.140 1.00 0.00 O ATOM 723 CB VAL A 55 -19.151 0.579 9.716 1.00 0.00 C ATOM 724 CG1 VAL A 55 -18.237 1.241 10.748 1.00 0.00 C ATOM 725 CG2 VAL A 55 -18.453 0.554 8.357 1.00 0.00 C ATOM 0 H VAL A 55 -18.186 -2.274 9.215 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.849 -0.832 11.168 1.00 0.00 H new ATOM 0 HB VAL A 55 -20.078 1.147 9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.017 2.262 10.437 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.734 1.256 11.718 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.308 0.677 10.826 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -18.229 1.574 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.526 -0.014 8.435 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.106 0.084 7.621 1.00 0.00 H new ATOM 735 N SER A 56 -20.959 -2.661 9.460 1.00 0.00 N ATOM 736 CA SER A 56 -21.881 -3.346 8.513 1.00 0.00 C ATOM 737 C SER A 56 -21.025 -4.262 7.643 1.00 0.00 C ATOM 738 O SER A 56 -21.329 -5.420 7.439 1.00 0.00 O ATOM 739 CB SER A 56 -22.587 -2.319 7.649 1.00 0.00 C ATOM 740 OG SER A 56 -23.839 -2.825 7.199 1.00 0.00 O ATOM 0 H SER A 56 -20.760 -3.181 10.315 1.00 0.00 H new ATOM 0 HA SER A 56 -22.640 -3.917 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.741 -1.401 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 56 -21.962 -2.063 6.793 1.00 0.00 H new ATOM 0 HG SER A 56 -24.284 -2.151 6.644 1.00 0.00 H new ATOM 746 N GLY A 57 -19.925 -3.746 7.167 1.00 0.00 N ATOM 747 CA GLY A 57 -18.999 -4.559 6.348 1.00 0.00 C ATOM 748 C GLY A 57 -17.596 -4.353 6.940 1.00 0.00 C ATOM 749 O GLY A 57 -17.472 -3.921 8.078 1.00 0.00 O ATOM 0 H GLY A 57 -19.630 -2.781 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.280 -5.612 6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -19.029 -4.247 5.304 1.00 0.00 H new ATOM 753 N ILE A 58 -16.539 -4.618 6.206 1.00 0.00 N ATOM 754 CA ILE A 58 -15.184 -4.389 6.796 1.00 0.00 C ATOM 755 C ILE A 58 -14.395 -3.457 5.885 1.00 0.00 C ATOM 756 O ILE A 58 -14.575 -3.447 4.690 1.00 0.00 O ATOM 757 CB ILE A 58 -14.414 -5.715 6.962 1.00 0.00 C ATOM 758 CG1 ILE A 58 -15.385 -6.881 7.203 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.469 -5.593 8.160 1.00 0.00 C ATOM 760 CD1 ILE A 58 -14.941 -8.090 6.376 1.00 0.00 C ATOM 0 H ILE A 58 -16.554 -4.973 5.250 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.308 -3.942 7.782 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.851 -5.913 6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.406 -7.139 8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -16.398 -6.589 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.919 -6.526 8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.766 -4.778 7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.048 -5.388 9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.628 -8.919 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -14.943 -7.828 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.935 -8.386 6.675 1.00 0.00 H new ATOM 772 N LYS A 59 -13.517 -2.675 6.439 1.00 0.00 N ATOM 773 CA LYS A 59 -12.714 -1.744 5.592 1.00 0.00 C ATOM 774 C LYS A 59 -11.246 -1.859 5.995 1.00 0.00 C ATOM 775 O LYS A 59 -10.931 -2.067 7.148 1.00 0.00 O ATOM 776 CB LYS A 59 -13.197 -0.299 5.796 1.00 0.00 C ATOM 777 CG LYS A 59 -12.335 0.649 4.962 1.00 0.00 C ATOM 778 CD LYS A 59 -12.021 1.901 5.784 1.00 0.00 C ATOM 779 CE LYS A 59 -13.281 2.760 5.907 1.00 0.00 C ATOM 780 NZ LYS A 59 -13.855 2.607 7.274 1.00 0.00 N ATOM 0 H LYS A 59 -13.318 -2.637 7.439 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.833 -2.007 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.243 -0.209 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.137 -0.030 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.411 0.153 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.858 0.923 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.662 1.619 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.224 2.472 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.041 3.806 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.013 2.460 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.546 3.365 7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.327 1.683 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.093 2.666 7.979 1.00 0.00 H new ATOM 794 N TYR A 60 -10.343 -1.730 5.062 1.00 0.00 N ATOM 795 CA TYR A 60 -8.901 -1.840 5.427 1.00 0.00 C ATOM 796 C TYR A 60 -8.195 -0.525 5.105 1.00 0.00 C ATOM 797 O TYR A 60 -8.623 0.228 4.255 1.00 0.00 O ATOM 798 CB TYR A 60 -8.246 -2.988 4.652 1.00 0.00 C ATOM 799 CG TYR A 60 -9.003 -4.273 4.904 1.00 0.00 C ATOM 800 CD1 TYR A 60 -10.319 -4.410 4.445 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.387 -5.329 5.589 1.00 0.00 C ATOM 802 CE1 TYR A 60 -11.020 -5.602 4.670 1.00 0.00 C ATOM 803 CE2 TYR A 60 -9.089 -6.520 5.816 1.00 0.00 C ATOM 804 CZ TYR A 60 -10.405 -6.656 5.356 1.00 0.00 C ATOM 805 OH TYR A 60 -11.095 -7.830 5.578 1.00 0.00 O ATOM 0 H TYR A 60 -10.536 -1.556 4.076 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.816 -2.046 6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -8.239 -2.762 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.207 -3.101 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.794 -3.596 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.372 -5.225 5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.034 -5.708 4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.615 -7.333 6.346 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.523 -8.458 6.066 1.00 0.00 H new ATOM 815 N ILE A 61 -7.120 -0.235 5.785 1.00 0.00 N ATOM 816 CA ILE A 61 -6.397 1.041 5.521 1.00 0.00 C ATOM 817 C ILE A 61 -4.891 0.822 5.660 1.00 0.00 C ATOM 818 O ILE A 61 -4.409 0.345 6.675 1.00 0.00 O ATOM 819 CB ILE A 61 -6.848 2.108 6.528 1.00 0.00 C ATOM 820 CG1 ILE A 61 -6.790 1.531 7.945 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.284 2.545 6.218 1.00 0.00 C ATOM 822 CD1 ILE A 61 -6.458 2.649 8.936 1.00 0.00 C ATOM 0 H ILE A 61 -6.712 -0.825 6.510 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.623 1.375 4.508 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.185 2.970 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.745 1.074 8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.036 0.746 7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.597 3.302 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.329 2.960 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.949 1.684 6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.416 2.240 9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.492 3.086 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.228 3.418 8.888 1.00 0.00 H new ATOM 834 N LEU A 62 -4.146 1.180 4.645 1.00 0.00 N ATOM 835 CA LEU A 62 -2.671 1.014 4.693 1.00 0.00 C ATOM 836 C LEU A 62 -2.009 2.378 4.470 1.00 0.00 C ATOM 837 O LEU A 62 -2.408 3.136 3.603 1.00 0.00 O ATOM 838 CB LEU A 62 -2.230 0.011 3.601 1.00 0.00 C ATOM 839 CG LEU A 62 -2.163 0.673 2.223 1.00 0.00 C ATOM 840 CD1 LEU A 62 -1.185 -0.097 1.332 1.00 0.00 C ATOM 841 CD2 LEU A 62 -3.553 0.632 1.594 1.00 0.00 C ATOM 0 H LEU A 62 -4.505 1.583 3.780 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.367 0.625 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.253 -0.399 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.929 -0.825 3.570 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.825 1.704 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.138 0.375 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.194 -0.088 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.525 -1.127 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.521 1.101 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.876 -0.404 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.256 1.170 2.230 1.00 0.00 H new ATOM 853 N GLN A 63 -1.002 2.688 5.246 1.00 0.00 N ATOM 854 CA GLN A 63 -0.291 3.990 5.092 1.00 0.00 C ATOM 855 C GLN A 63 1.134 3.668 4.662 1.00 0.00 C ATOM 856 O GLN A 63 1.962 3.291 5.462 1.00 0.00 O ATOM 857 CB GLN A 63 -0.274 4.746 6.433 1.00 0.00 C ATOM 858 CG GLN A 63 -1.255 4.099 7.417 1.00 0.00 C ATOM 859 CD GLN A 63 -1.646 5.113 8.495 1.00 0.00 C ATOM 860 OE1 GLN A 63 -2.612 5.835 8.345 1.00 0.00 O ATOM 861 NE2 GLN A 63 -0.932 5.195 9.585 1.00 0.00 N ATOM 0 H GLN A 63 -0.640 2.088 5.987 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.791 4.621 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.732 4.736 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.543 5.790 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.144 3.756 6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.799 3.222 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.121 4.589 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.185 5.865 10.311 1.00 0.00 H new ATOM 870 N VAL A 64 1.410 3.755 3.395 1.00 0.00 N ATOM 871 CA VAL A 64 2.747 3.391 2.897 1.00 0.00 C ATOM 872 C VAL A 64 3.628 4.633 2.731 1.00 0.00 C ATOM 873 O VAL A 64 3.146 5.732 2.567 1.00 0.00 O ATOM 874 CB VAL A 64 2.536 2.732 1.531 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.286 1.847 1.567 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.353 3.821 0.467 1.00 0.00 C ATOM 0 H VAL A 64 0.754 4.067 2.679 1.00 0.00 H new ATOM 0 HA VAL A 64 3.247 2.725 3.600 1.00 0.00 H new ATOM 0 HB VAL A 64 3.404 2.119 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.142 1.381 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.410 1.073 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.416 2.456 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.202 3.356 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.485 4.431 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.242 4.451 0.435 1.00 0.00 H new ATOM 886 N GLU A 65 4.916 4.450 2.723 1.00 0.00 N ATOM 887 CA GLU A 65 5.831 5.595 2.509 1.00 0.00 C ATOM 888 C GLU A 65 6.639 5.289 1.247 1.00 0.00 C ATOM 889 O GLU A 65 7.581 4.525 1.276 1.00 0.00 O ATOM 890 CB GLU A 65 6.771 5.738 3.704 1.00 0.00 C ATOM 891 CG GLU A 65 7.695 6.937 3.483 1.00 0.00 C ATOM 892 CD GLU A 65 7.373 8.026 4.510 1.00 0.00 C ATOM 893 OE1 GLU A 65 6.870 7.685 5.568 1.00 0.00 O ATOM 894 OE2 GLU A 65 7.637 9.181 4.222 1.00 0.00 O ATOM 0 H GLU A 65 5.375 3.549 2.857 1.00 0.00 H new ATOM 0 HA GLU A 65 5.274 6.526 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.195 5.873 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.360 4.829 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.736 6.629 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.568 7.326 2.473 1.00 0.00 H new ATOM 901 N ILE A 66 6.266 5.852 0.129 1.00 0.00 N ATOM 902 CA ILE A 66 7.015 5.551 -1.125 1.00 0.00 C ATOM 903 C ILE A 66 7.941 6.719 -1.478 1.00 0.00 C ATOM 904 O ILE A 66 7.597 7.870 -1.298 1.00 0.00 O ATOM 905 CB ILE A 66 6.041 5.294 -2.280 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.724 6.040 -2.053 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.758 3.793 -2.380 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.714 5.631 -3.128 1.00 0.00 C ATOM 0 H ILE A 66 5.484 6.500 0.030 1.00 0.00 H new ATOM 0 HA ILE A 66 7.615 4.655 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 66 6.494 5.654 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.330 5.811 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.893 7.116 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.065 3.607 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.690 3.258 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.317 3.443 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.776 6.162 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.109 5.882 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.537 4.557 -3.071 1.00 0.00 H new ATOM 920 N GLY A 67 9.117 6.432 -1.976 1.00 0.00 N ATOM 921 CA GLY A 67 10.065 7.519 -2.338 1.00 0.00 C ATOM 922 C GLY A 67 10.702 7.215 -3.702 1.00 0.00 C ATOM 923 O GLY A 67 10.444 6.181 -4.314 1.00 0.00 O ATOM 0 H GLY A 67 9.459 5.486 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.542 8.474 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.839 7.609 -1.576 1.00 0.00 H new ATOM 927 N ARG A 68 11.525 8.110 -4.190 1.00 0.00 N ATOM 928 CA ARG A 68 12.173 7.880 -5.507 1.00 0.00 C ATOM 929 C ARG A 68 13.559 7.253 -5.277 1.00 0.00 C ATOM 930 O ARG A 68 14.179 7.503 -4.268 1.00 0.00 O ATOM 931 CB ARG A 68 12.327 9.221 -6.234 1.00 0.00 C ATOM 932 CG ARG A 68 11.057 10.052 -6.042 1.00 0.00 C ATOM 933 CD ARG A 68 9.835 9.206 -6.395 1.00 0.00 C ATOM 934 NE ARG A 68 8.597 9.996 -6.149 1.00 0.00 N ATOM 935 CZ ARG A 68 8.224 10.907 -7.005 1.00 0.00 C ATOM 936 NH1 ARG A 68 7.737 10.553 -8.163 1.00 0.00 N ATOM 937 NH2 ARG A 68 8.337 12.172 -6.703 1.00 0.00 N ATOM 0 H ARG A 68 11.772 8.986 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 68 11.564 7.209 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.190 9.761 -5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.508 9.053 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.988 10.397 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.092 10.940 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.882 8.899 -7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.824 8.296 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 68 8.041 9.825 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.648 9.564 -8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.445 11.265 -8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.717 12.448 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.045 12.884 -7.372 1.00 0.00 H new ATOM 951 N THR A 69 14.076 6.442 -6.173 1.00 0.00 N ATOM 952 CA THR A 69 15.423 5.859 -5.876 1.00 0.00 C ATOM 953 C THR A 69 16.210 5.512 -7.159 1.00 0.00 C ATOM 954 O THR A 69 15.749 5.728 -8.270 1.00 0.00 O ATOM 955 CB THR A 69 15.251 4.587 -5.041 1.00 0.00 C ATOM 956 OG1 THR A 69 14.753 3.544 -5.867 1.00 0.00 O ATOM 957 CG2 THR A 69 14.268 4.846 -3.897 1.00 0.00 C ATOM 0 H THR A 69 13.647 6.169 -7.057 1.00 0.00 H new ATOM 0 HA THR A 69 15.991 6.612 -5.329 1.00 0.00 H new ATOM 0 HB THR A 69 16.216 4.296 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.305 2.743 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.150 3.938 -3.306 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.651 5.644 -3.262 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.302 5.141 -4.307 1.00 0.00 H new ATOM 965 N THR A 70 17.409 4.966 -7.000 1.00 0.00 N ATOM 966 CA THR A 70 18.255 4.603 -8.183 1.00 0.00 C ATOM 967 C THR A 70 18.057 3.125 -8.564 1.00 0.00 C ATOM 968 O THR A 70 18.988 2.470 -8.991 1.00 0.00 O ATOM 969 CB THR A 70 19.725 4.825 -7.823 1.00 0.00 C ATOM 970 OG1 THR A 70 20.127 3.859 -6.865 1.00 0.00 O ATOM 971 CG2 THR A 70 19.904 6.228 -7.241 1.00 0.00 C ATOM 0 H THR A 70 17.831 4.759 -6.095 1.00 0.00 H new ATOM 0 HA THR A 70 17.963 5.226 -9.028 1.00 0.00 H new ATOM 0 HB THR A 70 20.337 4.725 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.069 3.999 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.952 6.385 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.596 6.970 -7.978 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.292 6.331 -6.345 1.00 0.00 H new ATOM 1123 N GLU A 82 18.529 3.136 -3.015 1.00 0.00 N ATOM 1124 CA GLU A 82 18.518 4.317 -2.104 1.00 0.00 C ATOM 1125 C GLU A 82 18.003 5.553 -2.856 1.00 0.00 C ATOM 1126 O GLU A 82 17.990 5.601 -4.081 1.00 0.00 O ATOM 1127 CB GLU A 82 19.931 4.562 -1.555 1.00 0.00 C ATOM 1128 CG GLU A 82 20.133 3.730 -0.287 1.00 0.00 C ATOM 1129 CD GLU A 82 20.727 2.369 -0.660 1.00 0.00 C ATOM 1130 OE1 GLU A 82 21.105 2.204 -1.807 1.00 0.00 O ATOM 1131 OE2 GLU A 82 20.792 1.516 0.211 1.00 0.00 O ATOM 0 HA GLU A 82 17.850 4.122 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.676 4.292 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.069 5.621 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.797 4.252 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.182 3.595 0.228 1.00 0.00 H new ATOM 1138 N PHE A 83 17.579 6.551 -2.119 1.00 0.00 N ATOM 1139 CA PHE A 83 17.058 7.805 -2.746 1.00 0.00 C ATOM 1140 C PHE A 83 18.230 8.786 -2.888 1.00 0.00 C ATOM 1141 O PHE A 83 18.767 9.269 -1.911 1.00 0.00 O ATOM 1142 CB PHE A 83 15.948 8.450 -1.873 1.00 0.00 C ATOM 1143 CG PHE A 83 15.119 7.381 -1.157 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.647 6.707 -0.046 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.820 7.055 -1.603 1.00 0.00 C ATOM 1146 CE1 PHE A 83 14.902 5.720 0.606 1.00 0.00 C ATOM 1147 CE2 PHE A 83 13.077 6.069 -0.943 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.621 5.400 0.157 1.00 0.00 C ATOM 0 H PHE A 83 17.572 6.549 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 83 16.624 7.569 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.400 9.116 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 83 15.297 9.060 -2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.637 6.953 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.398 7.567 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.319 5.205 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.082 5.825 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.049 4.634 0.660 1.00 0.00 H new ATOM 1158 N HIS A 84 18.645 9.065 -4.095 1.00 0.00 N ATOM 1159 CA HIS A 84 19.805 9.998 -4.293 1.00 0.00 C ATOM 1160 C HIS A 84 19.667 11.212 -3.370 1.00 0.00 C ATOM 1161 O HIS A 84 18.622 11.458 -2.802 1.00 0.00 O ATOM 1162 CB HIS A 84 19.870 10.488 -5.750 1.00 0.00 C ATOM 1163 CG HIS A 84 18.521 10.358 -6.404 1.00 0.00 C ATOM 1164 ND1 HIS A 84 17.341 10.574 -5.711 1.00 0.00 N ATOM 1165 CD2 HIS A 84 18.151 10.036 -7.687 1.00 0.00 C ATOM 1166 CE1 HIS A 84 16.325 10.381 -6.572 1.00 0.00 C ATOM 1167 NE2 HIS A 84 16.763 10.052 -7.791 1.00 0.00 N ATOM 0 H HIS A 84 18.237 8.692 -4.952 1.00 0.00 H new ATOM 0 HA HIS A 84 20.718 9.452 -4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 84 20.197 11.528 -5.777 1.00 0.00 H new ATOM 0 HB3 HIS A 84 20.608 9.908 -6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 84 18.833 9.806 -8.492 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.282 10.480 -6.310 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.201 9.855 -8.619 1.00 0.00 H new ATOM 1258 N LYS A 91 12.521 14.293 -0.254 1.00 0.00 N ATOM 1259 CA LYS A 91 12.250 13.529 -1.501 1.00 0.00 C ATOM 1260 C LYS A 91 11.534 12.231 -1.134 1.00 0.00 C ATOM 1261 O LYS A 91 12.145 11.190 -1.018 1.00 0.00 O ATOM 1262 CB LYS A 91 13.573 13.197 -2.194 1.00 0.00 C ATOM 1263 CG LYS A 91 14.447 14.451 -2.266 1.00 0.00 C ATOM 1264 CD LYS A 91 14.886 14.680 -3.715 1.00 0.00 C ATOM 1265 CE LYS A 91 16.136 15.563 -3.742 1.00 0.00 C ATOM 1266 NZ LYS A 91 16.959 15.217 -4.933 1.00 0.00 N ATOM 0 HA LYS A 91 11.630 14.123 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.093 12.410 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.383 12.816 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.893 15.316 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.320 14.337 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.093 13.725 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.082 15.154 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.851 16.615 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.716 15.419 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.809 15.816 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.241 14.217 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.403 15.376 -5.797 1.00 0.00 H new ATOM 1280 N TYR A 92 10.246 12.286 -0.960 1.00 0.00 N ATOM 1281 CA TYR A 92 9.485 11.048 -0.603 1.00 0.00 C ATOM 1282 C TYR A 92 8.027 11.228 -1.027 1.00 0.00 C ATOM 1283 O TYR A 92 7.681 12.180 -1.697 1.00 0.00 O ATOM 1284 CB TYR A 92 9.539 10.780 0.914 1.00 0.00 C ATOM 1285 CG TYR A 92 10.951 10.334 1.311 1.00 0.00 C ATOM 1286 CD1 TYR A 92 11.600 9.310 0.599 1.00 0.00 C ATOM 1287 CD2 TYR A 92 11.614 10.936 2.402 1.00 0.00 C ATOM 1288 CE1 TYR A 92 12.885 8.898 0.970 1.00 0.00 C ATOM 1289 CE2 TYR A 92 12.896 10.512 2.766 1.00 0.00 C ATOM 1290 CZ TYR A 92 13.530 9.495 2.052 1.00 0.00 C ATOM 1291 OH TYR A 92 14.795 9.081 2.417 1.00 0.00 O ATOM 0 H TYR A 92 9.682 13.132 -1.048 1.00 0.00 H new ATOM 0 HA TYR A 92 9.936 10.200 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.265 11.681 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.815 10.011 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.105 8.839 -0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.130 11.726 2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.379 8.114 0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.397 10.974 3.604 1.00 0.00 H new ATOM 0 HH TYR A 92 15.123 8.421 1.771 1.00 0.00 H new ATOM 1301 N THR A 93 7.168 10.325 -0.645 1.00 0.00 N ATOM 1302 CA THR A 93 5.737 10.458 -1.032 1.00 0.00 C ATOM 1303 C THR A 93 4.880 9.511 -0.192 1.00 0.00 C ATOM 1304 O THR A 93 4.824 8.324 -0.440 1.00 0.00 O ATOM 1305 CB THR A 93 5.574 10.112 -2.514 1.00 0.00 C ATOM 1306 OG1 THR A 93 6.818 10.285 -3.179 1.00 0.00 O ATOM 1307 CG2 THR A 93 4.520 11.031 -3.138 1.00 0.00 C ATOM 0 H THR A 93 7.394 9.504 -0.084 1.00 0.00 H new ATOM 0 HA THR A 93 5.414 11.484 -0.858 1.00 0.00 H new ATOM 0 HB THR A 93 5.253 9.075 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.665 10.689 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.403 10.786 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.568 10.893 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.838 12.069 -3.040 1.00 0.00 H new ATOM 1315 N THR A 94 4.201 10.025 0.794 1.00 0.00 N ATOM 1316 CA THR A 94 3.340 9.151 1.637 1.00 0.00 C ATOM 1317 C THR A 94 2.042 8.861 0.875 1.00 0.00 C ATOM 1318 O THR A 94 1.544 9.699 0.153 1.00 0.00 O ATOM 1319 CB THR A 94 3.021 9.869 2.956 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.550 8.922 3.905 1.00 0.00 O ATOM 1321 CG2 THR A 94 1.948 10.933 2.721 1.00 0.00 C ATOM 0 H THR A 94 4.205 11.012 1.053 1.00 0.00 H new ATOM 0 HA THR A 94 3.854 8.216 1.858 1.00 0.00 H new ATOM 0 HB THR A 94 3.924 10.349 3.333 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.347 9.377 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.726 11.439 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.310 11.660 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.043 10.459 2.341 1.00 0.00 H new ATOM 1329 N CYS A 95 1.483 7.691 1.035 1.00 0.00 N ATOM 1330 CA CYS A 95 0.209 7.378 0.322 1.00 0.00 C ATOM 1331 C CYS A 95 -0.549 6.334 1.133 1.00 0.00 C ATOM 1332 O CYS A 95 -0.092 5.222 1.305 1.00 0.00 O ATOM 1333 CB CYS A 95 0.487 6.814 -1.082 1.00 0.00 C ATOM 1334 SG CYS A 95 -1.090 6.564 -1.939 1.00 0.00 S ATOM 0 H CYS A 95 1.850 6.943 1.624 1.00 0.00 H new ATOM 0 HA CYS A 95 -0.374 8.293 0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.117 7.501 -1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.029 5.871 -1.009 1.00 0.00 H new ATOM 1339 N THR A 96 -1.696 6.673 1.641 1.00 0.00 N ATOM 1340 CA THR A 96 -2.463 5.683 2.450 1.00 0.00 C ATOM 1341 C THR A 96 -3.687 5.237 1.667 1.00 0.00 C ATOM 1342 O THR A 96 -4.563 6.022 1.386 1.00 0.00 O ATOM 1343 CB THR A 96 -2.909 6.334 3.758 1.00 0.00 C ATOM 1344 OG1 THR A 96 -1.804 7.002 4.353 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.435 5.261 4.713 1.00 0.00 C ATOM 0 H THR A 96 -2.137 7.587 1.534 1.00 0.00 H new ATOM 0 HA THR A 96 -1.832 4.821 2.668 1.00 0.00 H new ATOM 0 HB THR A 96 -3.702 7.053 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.088 7.422 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.753 5.728 5.645 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.283 4.751 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.645 4.539 4.919 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.781 3.987 1.310 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.999 3.588 0.539 1.00 0.00 C ATOM 1355 C PHE A 97 -6.069 3.035 1.466 1.00 0.00 C ATOM 1356 O PHE A 97 -5.800 2.547 2.544 1.00 0.00 O ATOM 1357 CB PHE A 97 -4.724 2.530 -0.540 1.00 0.00 C ATOM 1358 CG PHE A 97 -3.262 2.407 -0.873 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -2.430 3.528 -0.897 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -2.751 1.146 -1.192 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -1.080 3.384 -1.238 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -1.410 1.001 -1.539 1.00 0.00 C ATOM 1363 CZ PHE A 97 -0.571 2.116 -1.562 1.00 0.00 C ATOM 0 H PHE A 97 -3.103 3.251 1.505 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.335 4.501 0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.097 1.564 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.278 2.786 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.827 4.503 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.398 0.281 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.431 4.247 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.019 0.026 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.469 2.004 -1.829 1.00 0.00 H new ATOM 1373 N VAL A 98 -7.291 3.095 1.022 1.00 0.00 N ATOM 1374 CA VAL A 98 -8.415 2.559 1.822 1.00 0.00 C ATOM 1375 C VAL A 98 -9.106 1.492 0.983 1.00 0.00 C ATOM 1376 O VAL A 98 -9.038 1.511 -0.230 1.00 0.00 O ATOM 1377 CB VAL A 98 -9.395 3.686 2.145 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.249 3.290 3.349 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.616 4.962 2.474 1.00 0.00 C ATOM 0 H VAL A 98 -7.559 3.500 0.125 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.057 2.134 2.760 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.039 3.864 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.948 4.094 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.805 2.381 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.604 3.112 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.315 5.766 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.972 4.783 3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.005 5.247 1.617 1.00 0.00 H new ATOM 1389 N VAL A 99 -9.732 0.541 1.599 1.00 0.00 N ATOM 1390 CA VAL A 99 -10.379 -0.531 0.825 1.00 0.00 C ATOM 1391 C VAL A 99 -11.720 -0.872 1.491 1.00 0.00 C ATOM 1392 O VAL A 99 -11.884 -0.676 2.683 1.00 0.00 O ATOM 1393 CB VAL A 99 -9.448 -1.739 0.820 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.976 -1.999 -0.613 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -8.216 -1.482 1.696 1.00 0.00 C ATOM 0 H VAL A 99 -9.822 0.462 2.612 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.569 -0.224 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.993 -2.597 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.310 -2.861 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.838 -2.197 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.444 -1.124 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.567 -2.357 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.672 -0.618 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.532 -1.287 2.721 1.00 0.00 H new ATOM 1405 N TYR A 100 -12.689 -1.360 0.745 1.00 0.00 N ATOM 1406 CA TYR A 100 -14.012 -1.667 1.372 1.00 0.00 C ATOM 1407 C TYR A 100 -14.478 -3.056 0.951 1.00 0.00 C ATOM 1408 O TYR A 100 -14.349 -3.440 -0.190 1.00 0.00 O ATOM 1409 CB TYR A 100 -15.031 -0.625 0.914 1.00 0.00 C ATOM 1410 CG TYR A 100 -16.288 -0.712 1.810 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -16.298 -0.133 3.097 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -17.454 -1.381 1.358 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -17.439 -0.217 3.904 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -18.588 -1.454 2.177 1.00 0.00 C ATOM 1415 CZ TYR A 100 -18.580 -0.873 3.445 1.00 0.00 C ATOM 1416 OH TYR A 100 -19.701 -0.949 4.245 1.00 0.00 O ATOM 0 H TYR A 100 -12.620 -1.555 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.916 -1.641 2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -14.598 0.374 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -15.300 -0.796 -0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -15.419 0.378 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -17.468 -1.836 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.435 0.229 4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.473 -1.963 1.825 1.00 0.00 H new ATOM 0 HH TYR A 100 -20.407 -1.439 3.773 1.00 0.00 H new ATOM 1426 N SER A 101 -15.027 -3.815 1.856 1.00 0.00 N ATOM 1427 CA SER A 101 -15.487 -5.180 1.477 1.00 0.00 C ATOM 1428 C SER A 101 -16.821 -5.514 2.139 1.00 0.00 C ATOM 1429 O SER A 101 -17.100 -5.130 3.261 1.00 0.00 O ATOM 1430 CB SER A 101 -14.439 -6.222 1.897 1.00 0.00 C ATOM 1431 OG SER A 101 -14.812 -7.493 1.385 1.00 0.00 O ATOM 0 H SER A 101 -15.176 -3.554 2.831 1.00 0.00 H new ATOM 0 HA SER A 101 -15.619 -5.202 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.456 -5.939 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.364 -6.262 2.984 1.00 0.00 H new ATOM 0 HG SER A 101 -15.481 -7.377 0.678 1.00 0.00 H new ATOM 1437 N ILE A 102 -17.634 -6.249 1.433 1.00 0.00 N ATOM 1438 CA ILE A 102 -18.964 -6.660 1.962 1.00 0.00 C ATOM 1439 C ILE A 102 -19.235 -8.094 1.457 1.00 0.00 C ATOM 1440 O ILE A 102 -19.203 -8.324 0.255 1.00 0.00 O ATOM 1441 CB ILE A 102 -20.060 -5.715 1.425 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -19.424 -4.461 0.815 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -20.993 -5.291 2.563 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -20.510 -3.617 0.142 1.00 0.00 C ATOM 0 H ILE A 102 -17.428 -6.589 0.493 1.00 0.00 H new ATOM 0 HA ILE A 102 -18.972 -6.617 3.051 1.00 0.00 H new ATOM 0 HB ILE A 102 -20.628 -6.247 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -18.924 -3.880 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -18.663 -4.743 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -21.762 -4.624 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -21.463 -6.174 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -20.418 -4.772 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -20.060 -2.724 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -20.990 -4.201 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -21.254 -3.324 0.882 1.00 0.00 H new ATOM 1456 N PRO A 103 -19.457 -9.030 2.364 1.00 0.00 N ATOM 1457 CA PRO A 103 -19.696 -10.459 1.992 1.00 0.00 C ATOM 1458 C PRO A 103 -21.121 -10.705 1.476 1.00 0.00 C ATOM 1459 O PRO A 103 -21.345 -11.614 0.702 1.00 0.00 O ATOM 1460 CB PRO A 103 -19.436 -11.209 3.295 1.00 0.00 C ATOM 1461 CG PRO A 103 -19.669 -10.220 4.429 1.00 0.00 C ATOM 1462 CD PRO A 103 -19.491 -8.809 3.853 1.00 0.00 C ATOM 0 HA PRO A 103 -19.056 -10.784 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -20.103 -12.066 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -18.417 -11.594 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -20.669 -10.341 4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.963 -10.395 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -20.312 -8.153 4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -18.572 -8.345 4.210 1.00 0.00 H new ATOM 1470 N TRP A 104 -22.093 -9.943 1.900 1.00 0.00 N ATOM 1471 CA TRP A 104 -23.489 -10.218 1.410 1.00 0.00 C ATOM 1472 C TRP A 104 -23.821 -9.477 0.099 1.00 0.00 C ATOM 1473 O TRP A 104 -24.900 -9.638 -0.436 1.00 0.00 O ATOM 1474 CB TRP A 104 -24.499 -9.781 2.460 1.00 0.00 C ATOM 1475 CG TRP A 104 -24.449 -8.297 2.576 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -24.923 -7.426 1.656 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -23.894 -7.497 3.650 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -24.719 -6.139 2.114 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -24.089 -6.131 3.341 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -23.256 -7.825 4.855 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -23.670 -5.122 4.206 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -22.830 -6.813 5.729 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -23.040 -5.463 5.407 1.00 0.00 C ATOM 0 H TRP A 104 -21.994 -9.161 2.547 1.00 0.00 H new ATOM 0 HA TRP A 104 -23.544 -11.290 1.223 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -25.501 -10.105 2.180 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -24.271 -10.244 3.420 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -25.385 -7.693 0.717 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -24.999 -5.299 1.608 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -23.092 -8.861 5.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -23.831 -4.085 3.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -22.338 -7.074 6.654 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.715 -4.688 6.086 1.00 0.00 H new ATOM 1494 N LEU A 105 -22.945 -8.663 -0.431 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.285 -7.950 -1.684 1.00 0.00 C ATOM 1496 C LEU A 105 -22.232 -8.243 -2.759 1.00 0.00 C ATOM 1497 O LEU A 105 -22.314 -7.745 -3.862 1.00 0.00 O ATOM 1498 CB LEU A 105 -23.365 -6.450 -1.426 1.00 0.00 C ATOM 1499 CG LEU A 105 -24.714 -5.929 -1.882 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -24.860 -6.178 -3.372 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -25.861 -6.622 -1.155 1.00 0.00 C ATOM 0 H LEU A 105 -22.019 -8.467 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 105 -24.255 -8.300 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.224 -6.245 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.566 -5.935 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.760 -4.864 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.828 -5.807 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -24.065 -5.659 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.793 -7.248 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.811 -6.222 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -25.823 -7.693 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.771 -6.447 -0.083 1.00 0.00 H new ATOM 1513 N ASN A 106 -21.249 -9.052 -2.445 1.00 0.00 N ATOM 1514 CA ASN A 106 -20.189 -9.396 -3.446 1.00 0.00 C ATOM 1515 C ASN A 106 -19.220 -8.224 -3.615 1.00 0.00 C ATOM 1516 O ASN A 106 -19.179 -7.594 -4.653 1.00 0.00 O ATOM 1517 CB ASN A 106 -20.811 -9.726 -4.819 1.00 0.00 C ATOM 1518 CG ASN A 106 -19.706 -10.181 -5.775 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -18.863 -9.398 -6.164 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -19.677 -11.424 -6.173 1.00 0.00 N ATOM 0 H ASN A 106 -21.134 -9.492 -1.532 1.00 0.00 H new ATOM 0 HA ASN A 106 -19.655 -10.271 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -21.562 -10.509 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -21.319 -8.850 -5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.946 -11.738 -6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.385 -12.081 -5.846 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.419 -7.937 -2.624 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.439 -6.806 -2.793 1.00 0.00 C ATOM 1529 C GLN A 107 -16.231 -6.982 -1.880 1.00 0.00 C ATOM 1530 O GLN A 107 -16.283 -7.655 -0.868 1.00 0.00 O ATOM 1531 CB GLN A 107 -18.090 -5.456 -2.505 1.00 0.00 C ATOM 1532 CG GLN A 107 -17.590 -4.425 -3.518 1.00 0.00 C ATOM 1533 CD GLN A 107 -18.745 -3.504 -3.915 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -19.886 -3.919 -3.940 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -18.497 -2.262 -4.226 1.00 0.00 N ATOM 0 H GLN A 107 -18.393 -8.417 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.110 -6.827 -3.832 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -19.175 -5.543 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -17.850 -5.133 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -16.776 -3.841 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.191 -4.928 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.539 -1.913 -4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -19.261 -1.640 -4.490 1.00 0.00 H new ATOM 1544 N ILE A 108 -15.142 -6.363 -2.243 1.00 0.00 N ATOM 1545 CA ILE A 108 -13.898 -6.467 -1.425 1.00 0.00 C ATOM 1546 C ILE A 108 -12.871 -5.415 -1.865 1.00 0.00 C ATOM 1547 O ILE A 108 -12.503 -5.356 -3.020 1.00 0.00 O ATOM 1548 CB ILE A 108 -13.280 -7.874 -1.591 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -12.599 -8.274 -0.262 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -12.262 -7.883 -2.754 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -11.198 -8.864 -0.503 1.00 0.00 C ATOM 0 H ILE A 108 -15.059 -5.784 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.159 -6.295 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.061 -8.595 -1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.521 -7.401 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -13.218 -9.004 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.836 -8.881 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.765 -7.606 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.466 -7.169 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.748 -9.134 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.280 -9.752 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.573 -8.124 -1.002 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.382 -4.613 -0.953 1.00 0.00 N ATOM 1564 CA LYS A 109 -11.348 -3.619 -1.327 1.00 0.00 C ATOM 1565 C LYS A 109 -11.919 -2.529 -2.233 1.00 0.00 C ATOM 1566 O LYS A 109 -13.087 -2.204 -2.171 1.00 0.00 O ATOM 1567 CB LYS A 109 -10.232 -4.366 -2.031 1.00 0.00 C ATOM 1568 CG LYS A 109 -9.800 -5.577 -1.191 1.00 0.00 C ATOM 1569 CD LYS A 109 -9.435 -5.142 0.229 1.00 0.00 C ATOM 1570 CE LYS A 109 -10.335 -5.865 1.233 1.00 0.00 C ATOM 1571 NZ LYS A 109 -9.716 -7.167 1.607 1.00 0.00 N ATOM 0 H LYS A 109 -12.657 -4.608 0.029 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.976 -3.119 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.568 -4.696 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -9.383 -3.702 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.606 -6.310 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.945 -6.065 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -8.389 -5.370 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.552 -4.063 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.476 -5.249 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.322 -6.030 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.455 -7.820 1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.238 -7.575 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.022 -7.016 2.367 1.00 0.00 H new ATOM 1585 N LEU A 110 -11.086 -1.959 -3.065 1.00 0.00 N ATOM 1586 CA LEU A 110 -11.529 -0.901 -3.992 1.00 0.00 C ATOM 1587 C LEU A 110 -12.228 0.213 -3.209 1.00 0.00 C ATOM 1588 O LEU A 110 -13.407 0.173 -2.930 1.00 0.00 O ATOM 1589 CB LEU A 110 -12.422 -1.572 -5.039 1.00 0.00 C ATOM 1590 CG LEU A 110 -13.419 -0.609 -5.700 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -14.718 -0.596 -4.899 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -12.837 0.806 -5.793 1.00 0.00 C ATOM 0 H LEU A 110 -10.096 -2.195 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.697 -0.420 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -11.793 -2.017 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -12.973 -2.386 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 110 -13.620 -0.954 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -15.427 0.087 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -15.142 -1.600 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -14.514 -0.266 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -13.563 1.468 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -12.609 1.172 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.924 0.786 -6.388 1.00 0.00 H new ATOM 1604 N LEU A 111 -11.475 1.214 -2.861 1.00 0.00 N ATOM 1605 CA LEU A 111 -12.043 2.369 -2.108 1.00 0.00 C ATOM 1606 C LEU A 111 -11.404 3.666 -2.623 1.00 0.00 C ATOM 1607 O LEU A 111 -12.055 4.472 -3.258 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.764 2.211 -0.615 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.808 2.991 0.190 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -14.215 2.579 -0.247 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.636 2.684 1.680 1.00 0.00 C ATOM 0 H LEU A 111 -10.479 1.285 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.122 2.405 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.791 1.157 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.764 2.576 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.671 4.058 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.953 3.137 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.344 2.794 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.352 1.511 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.378 3.239 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.770 1.616 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.636 2.979 1.999 1.00 0.00 H new ATOM 1623 N GLU A 112 -10.134 3.882 -2.369 1.00 0.00 N ATOM 1624 CA GLU A 112 -9.490 5.138 -2.874 1.00 0.00 C ATOM 1625 C GLU A 112 -8.025 5.204 -2.425 1.00 0.00 C ATOM 1626 O GLU A 112 -7.499 4.286 -1.828 1.00 0.00 O ATOM 1627 CB GLU A 112 -10.236 6.367 -2.325 1.00 0.00 C ATOM 1628 CG GLU A 112 -10.759 6.058 -0.922 1.00 0.00 C ATOM 1629 CD GLU A 112 -10.393 7.202 0.023 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -9.238 7.279 0.411 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -11.273 7.985 0.343 1.00 0.00 O ATOM 0 H GLU A 112 -9.525 3.255 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.535 5.134 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.568 7.228 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.064 6.628 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.841 5.925 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.331 5.123 -0.561 1.00 0.00 H new ATOM 1638 N SER A 113 -7.371 6.299 -2.714 1.00 0.00 N ATOM 1639 CA SER A 113 -5.940 6.469 -2.319 1.00 0.00 C ATOM 1640 C SER A 113 -5.733 7.905 -1.828 1.00 0.00 C ATOM 1641 O SER A 113 -6.078 8.853 -2.506 1.00 0.00 O ATOM 1642 CB SER A 113 -5.040 6.217 -3.532 1.00 0.00 C ATOM 1643 OG SER A 113 -4.952 7.405 -4.307 1.00 0.00 O ATOM 0 H SER A 113 -7.772 7.093 -3.213 1.00 0.00 H new ATOM 0 HA SER A 113 -5.688 5.761 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.047 5.908 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.443 5.404 -4.136 1.00 0.00 H new ATOM 0 HG SER A 113 -5.621 8.049 -3.995 1.00 0.00 H new ATOM 1649 N LYS A 114 -5.173 8.082 -0.662 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.950 9.462 -0.147 1.00 0.00 C ATOM 1651 C LYS A 114 -3.439 9.699 0.015 1.00 0.00 C ATOM 1652 O LYS A 114 -2.872 9.429 1.057 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.645 9.621 1.209 1.00 0.00 C ATOM 1654 CG LYS A 114 -5.013 8.675 2.229 1.00 0.00 C ATOM 1655 CD LYS A 114 -6.107 7.820 2.871 1.00 0.00 C ATOM 1656 CE LYS A 114 -6.853 8.652 3.916 1.00 0.00 C ATOM 1657 NZ LYS A 114 -6.246 8.420 5.258 1.00 0.00 N ATOM 0 H LYS A 114 -4.861 7.332 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.362 10.188 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.559 10.652 1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.709 9.406 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.275 8.037 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.486 9.246 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.801 7.465 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.668 6.938 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.801 9.710 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.908 8.378 3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.752 8.985 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.317 7.411 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.245 8.702 5.240 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.769 10.189 -1.004 1.00 0.00 N ATOM 1672 CA CYS A 115 -1.300 10.421 -0.870 1.00 0.00 C ATOM 1673 C CYS A 115 -0.980 11.890 -1.119 1.00 0.00 C ATOM 1674 O CYS A 115 -1.834 12.681 -1.470 1.00 0.00 O ATOM 1675 CB CYS A 115 -0.500 9.566 -1.870 1.00 0.00 C ATOM 1676 SG CYS A 115 -1.570 8.372 -2.722 1.00 0.00 S ATOM 0 H CYS A 115 -3.172 10.434 -1.908 1.00 0.00 H new ATOM 0 HA CYS A 115 -1.015 10.137 0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -0.019 10.214 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.294 9.035 -1.344 1.00 0.00 H new ATOM 1681 N GLN A 116 0.256 12.252 -0.940 1.00 0.00 N ATOM 1682 CA GLN A 116 0.664 13.667 -1.164 1.00 0.00 C ATOM 1683 C GLN A 116 2.180 13.793 -0.997 1.00 0.00 C ATOM 1684 CB GLN A 116 -0.039 14.568 -0.147 1.00 0.00 C ATOM 1685 CG GLN A 116 0.265 16.032 -0.466 1.00 0.00 C ATOM 1686 CD GLN A 116 0.139 16.868 0.809 1.00 0.00 C ATOM 1687 OE1 GLN A 116 0.921 17.768 1.038 1.00 0.00 O ATOM 1688 NE2 GLN A 116 -0.820 16.602 1.654 1.00 0.00 N ATOM 0 H GLN A 116 1.007 11.627 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 116 0.383 13.971 -2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -1.115 14.395 -0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.297 14.327 0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 116 1.270 16.125 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -0.425 16.401 -1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.476 15.845 1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.913 17.151 2.509 1.00 0.00 H new