USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.5!) USER MOD Set 1.2: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl 145:sc=-0.00139 (180deg=-0.796) USER MOD Set 3.1: A 30 GLN : amide:sc= -0.564 K(o=-1.2,f=-0.029) USER MOD Set 3.2: A 34 ASN : amide:sc= -0.645 K(o=-1.2,f=-0.029) USER MOD Single : A 6 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.93) USER MOD Single : A 17 MET CE :methyl -108:sc= -0.165 (180deg=-0.784) USER MOD Single : A 21 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.4) USER MOD Single : A 23 SER OG : rot -42:sc= 0.978 USER MOD Single : A 24 GLN : amide:sc= -0.0553 K(o=-0.055,f=-1.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 38 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.014) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -20.939 -2.815 4.606 1.00 0.00 N ATOM 37 CA LEU A 4 -20.083 -2.941 3.439 1.00 0.00 C ATOM 38 C LEU A 4 -20.772 -2.295 2.235 1.00 0.00 C ATOM 39 O LEU A 4 -20.129 -1.605 1.445 1.00 0.00 O ATOM 40 CB LEU A 4 -19.694 -4.403 3.215 1.00 0.00 C ATOM 41 CG LEU A 4 -18.256 -4.652 2.755 1.00 0.00 C ATOM 42 CD1 LEU A 4 -17.268 -3.811 3.566 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.916 -6.143 2.802 1.00 0.00 C ATOM 0 HA LEU A 4 -19.145 -2.407 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -19.856 -4.948 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.370 -4.829 2.474 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.169 -4.336 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.253 -4.007 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.498 -2.754 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.348 -4.073 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.889 -6.293 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.025 -6.509 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.592 -6.691 2.146 1.00 0.00 H new ATOM 54 N ILE A 5 -22.069 -2.543 2.132 1.00 0.00 N ATOM 55 CA ILE A 5 -22.851 -1.994 1.038 1.00 0.00 C ATOM 56 C ILE A 5 -22.537 -0.505 0.888 1.00 0.00 C ATOM 57 O ILE A 5 -22.394 -0.005 -0.226 1.00 0.00 O ATOM 58 CB ILE A 5 -24.338 -2.292 1.240 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.552 -3.746 1.667 1.00 0.00 C ATOM 60 CG2 ILE A 5 -25.143 -1.938 -0.012 1.00 0.00 C ATOM 61 CD1 ILE A 5 -24.822 -3.841 3.171 1.00 0.00 C ATOM 0 H ILE A 5 -22.598 -3.117 2.788 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.578 -2.473 0.098 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.707 -1.661 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -25.391 -4.171 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -23.672 -4.337 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.197 -2.159 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -25.026 -0.877 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.781 -2.525 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -24.971 -4.884 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.971 -3.437 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -25.717 -3.269 3.417 1.00 0.00 H new ATOM 72 N GLN A 6 -22.440 0.164 2.029 1.00 0.00 N ATOM 73 CA GLN A 6 -22.145 1.587 2.039 1.00 0.00 C ATOM 74 C GLN A 6 -20.812 1.858 1.339 1.00 0.00 C ATOM 75 O GLN A 6 -20.715 2.761 0.509 1.00 0.00 O ATOM 76 CB GLN A 6 -22.136 2.135 3.467 1.00 0.00 C ATOM 77 CG GLN A 6 -23.412 2.924 3.760 1.00 0.00 C ATOM 78 CD GLN A 6 -23.108 4.170 4.596 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.722 4.430 5.617 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.126 4.922 4.106 1.00 0.00 N ATOM 0 H GLN A 6 -22.560 -0.253 2.952 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.932 2.105 1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -22.043 1.312 4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -21.267 2.777 3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.886 3.217 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -24.122 2.290 4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.653 4.646 3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.846 5.775 4.591 1.00 0.00 H new ATOM 87 N VAL A 7 -19.818 1.060 1.699 1.00 0.00 N ATOM 88 CA VAL A 7 -18.494 1.203 1.115 1.00 0.00 C ATOM 89 C VAL A 7 -18.522 0.700 -0.329 1.00 0.00 C ATOM 90 O VAL A 7 -18.036 1.375 -1.235 1.00 0.00 O ATOM 91 CB VAL A 7 -17.460 0.480 1.981 1.00 0.00 C ATOM 92 CG1 VAL A 7 -16.071 0.542 1.342 1.00 0.00 C ATOM 93 CG2 VAL A 7 -17.437 1.051 3.399 1.00 0.00 C ATOM 0 H VAL A 7 -19.902 0.312 2.388 1.00 0.00 H new ATOM 0 HA VAL A 7 -18.199 2.252 1.088 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.752 -0.568 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.355 0.021 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.100 0.066 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.768 1.583 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.694 0.519 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.181 2.110 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -18.420 0.931 3.855 1.00 0.00 H new ATOM 103 N ARG A 8 -19.096 -0.482 -0.500 1.00 0.00 N ATOM 104 CA ARG A 8 -19.194 -1.083 -1.819 1.00 0.00 C ATOM 105 C ARG A 8 -19.790 -0.086 -2.814 1.00 0.00 C ATOM 106 O ARG A 8 -19.399 -0.058 -3.981 1.00 0.00 O ATOM 107 CB ARG A 8 -20.061 -2.343 -1.788 1.00 0.00 C ATOM 108 CG ARG A 8 -19.298 -3.519 -1.174 1.00 0.00 C ATOM 109 CD ARG A 8 -20.065 -4.829 -1.364 1.00 0.00 C ATOM 110 NE ARG A 8 -19.344 -5.938 -0.701 1.00 0.00 N ATOM 111 CZ ARG A 8 -19.862 -7.170 -0.511 1.00 0.00 C ATOM 112 NH1 ARG A 8 -21.110 -7.462 -0.935 1.00 0.00 N ATOM 113 NH2 ARG A 8 -19.129 -8.087 0.094 1.00 0.00 N ATOM 0 H ARG A 8 -19.498 -1.040 0.254 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.187 -1.357 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.966 -2.152 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.375 -2.598 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.314 -3.599 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.138 -3.338 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.068 -4.736 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.179 -5.042 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.397 -5.761 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.669 -6.749 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.493 -8.396 -0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.186 -7.859 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.506 -9.023 0.245 1.00 0.00 H new ATOM 123 N ASP A 9 -20.727 0.709 -2.317 1.00 0.00 N ATOM 124 CA ASP A 9 -21.381 1.705 -3.148 1.00 0.00 C ATOM 125 C ASP A 9 -20.425 2.878 -3.378 1.00 0.00 C ATOM 126 O ASP A 9 -20.232 3.313 -4.513 1.00 0.00 O ATOM 127 CB ASP A 9 -22.640 2.247 -2.471 1.00 0.00 C ATOM 128 CG ASP A 9 -23.695 2.813 -3.423 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.963 4.023 -3.432 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.261 1.943 -4.190 1.00 0.00 O ATOM 0 H ASP A 9 -21.048 0.683 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.655 1.231 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.093 1.446 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.349 3.029 -1.770 1.00 0.00 H new ATOM 135 N LEU A 10 -19.854 3.357 -2.283 1.00 0.00 N ATOM 136 CA LEU A 10 -18.924 4.471 -2.351 1.00 0.00 C ATOM 137 C LEU A 10 -17.744 4.092 -3.248 1.00 0.00 C ATOM 138 O LEU A 10 -17.397 4.830 -4.169 1.00 0.00 O ATOM 139 CB LEU A 10 -18.511 4.911 -0.945 1.00 0.00 C ATOM 140 CG LEU A 10 -19.218 6.151 -0.395 1.00 0.00 C ATOM 141 CD1 LEU A 10 -19.133 7.316 -1.384 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.664 5.833 -0.008 1.00 0.00 C ATOM 0 H LEU A 10 -20.017 2.994 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.403 5.339 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.689 4.082 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.437 5.100 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.702 6.462 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.644 8.184 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.087 7.563 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.608 7.031 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.143 6.732 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.207 5.483 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.674 5.058 0.758 1.00 0.00 H new ATOM 153 N LEU A 11 -17.161 2.941 -2.948 1.00 0.00 N ATOM 154 CA LEU A 11 -16.027 2.455 -3.715 1.00 0.00 C ATOM 155 C LEU A 11 -16.401 2.413 -5.198 1.00 0.00 C ATOM 156 O LEU A 11 -15.531 2.486 -6.064 1.00 0.00 O ATOM 157 CB LEU A 11 -15.544 1.111 -3.165 1.00 0.00 C ATOM 158 CG LEU A 11 -14.560 1.180 -1.995 1.00 0.00 C ATOM 159 CD1 LEU A 11 -14.009 -0.207 -1.660 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.445 2.189 -2.275 1.00 0.00 C ATOM 0 H LEU A 11 -17.453 2.331 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.181 3.136 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.414 0.536 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.074 0.556 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.099 1.533 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.312 -0.130 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.831 -0.869 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.491 -0.612 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.760 2.218 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.901 1.891 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.878 3.178 -2.425 1.00 0.00 H new ATOM 171 N ALA A 12 -17.697 2.296 -5.446 1.00 0.00 N ATOM 172 CA ALA A 12 -18.197 2.243 -6.809 1.00 0.00 C ATOM 173 C ALA A 12 -18.425 3.668 -7.320 1.00 0.00 C ATOM 174 O ALA A 12 -17.829 4.077 -8.315 1.00 0.00 O ATOM 175 CB ALA A 12 -19.472 1.398 -6.854 1.00 0.00 C ATOM 0 H ALA A 12 -18.416 2.236 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.468 1.769 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.847 1.359 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.251 0.388 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.228 1.845 -6.208 1.00 0.00 H new ATOM 181 N LEU A 13 -19.288 4.384 -6.615 1.00 0.00 N ATOM 182 CA LEU A 13 -19.601 5.754 -6.984 1.00 0.00 C ATOM 183 C LEU A 13 -18.313 6.579 -7.006 1.00 0.00 C ATOM 184 O LEU A 13 -17.944 7.133 -8.040 1.00 0.00 O ATOM 185 CB LEU A 13 -20.681 6.324 -6.061 1.00 0.00 C ATOM 186 CG LEU A 13 -22.127 6.002 -6.443 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.433 6.459 -7.870 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.430 4.516 -6.240 1.00 0.00 C ATOM 0 H LEU A 13 -19.780 4.041 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.021 5.791 -7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.501 5.953 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.568 7.408 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.787 6.559 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.467 6.218 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.283 7.536 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.767 5.949 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.464 4.314 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -21.763 3.920 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.279 4.254 -5.193 1.00 0.00 H new ATOM 199 N ARG A 14 -17.664 6.636 -5.852 1.00 0.00 N ATOM 200 CA ARG A 14 -16.425 7.383 -5.726 1.00 0.00 C ATOM 201 C ARG A 14 -15.293 6.664 -6.462 1.00 0.00 C ATOM 202 O ARG A 14 -14.239 7.246 -6.708 1.00 0.00 O ATOM 203 CB ARG A 14 -16.037 7.562 -4.257 1.00 0.00 C ATOM 204 CG ARG A 14 -16.803 8.726 -3.625 1.00 0.00 C ATOM 205 CD ARG A 14 -18.254 8.753 -4.109 1.00 0.00 C ATOM 206 NE ARG A 14 -19.007 9.806 -3.392 1.00 0.00 N ATOM 207 CZ ARG A 14 -20.139 10.377 -3.855 1.00 0.00 C ATOM 208 NH1 ARG A 14 -20.659 10.000 -5.043 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.729 11.310 -3.131 1.00 0.00 N ATOM 0 H ARG A 14 -17.974 6.176 -4.996 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.584 8.366 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.246 6.644 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.965 7.743 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.780 8.635 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.314 9.667 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.285 8.939 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.720 7.782 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.648 10.120 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.196 9.279 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -21.515 10.436 -5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.329 11.590 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.585 11.751 -3.467 1.00 0.00 H new ATOM 219 N GLY A 15 -15.551 5.406 -6.793 1.00 0.00 N ATOM 220 CA GLY A 15 -14.567 4.600 -7.495 1.00 0.00 C ATOM 221 C GLY A 15 -13.369 4.291 -6.596 1.00 0.00 C ATOM 222 O GLY A 15 -13.491 4.284 -5.372 1.00 0.00 O ATOM 0 H GLY A 15 -16.427 4.926 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.025 3.669 -7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.230 5.127 -8.388 1.00 0.00 H new ATOM 226 N ARG A 16 -12.237 4.041 -7.238 1.00 0.00 N ATOM 227 CA ARG A 16 -11.017 3.730 -6.510 1.00 0.00 C ATOM 228 C ARG A 16 -10.583 4.930 -5.666 1.00 0.00 C ATOM 229 O ARG A 16 -10.337 6.011 -6.197 1.00 0.00 O ATOM 230 CB ARG A 16 -9.886 3.354 -7.469 1.00 0.00 C ATOM 231 CG ARG A 16 -9.686 4.433 -8.534 1.00 0.00 C ATOM 232 CD ARG A 16 -8.211 4.822 -8.652 1.00 0.00 C ATOM 233 NE ARG A 16 -7.810 4.857 -10.076 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.546 5.069 -10.500 1.00 0.00 C ATOM 235 NH1 ARG A 16 -5.548 5.266 -9.613 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.300 5.079 -11.797 1.00 0.00 N ATOM 0 H ARG A 16 -12.138 4.047 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.225 2.880 -5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.961 3.215 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.113 2.402 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.048 4.071 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.278 5.312 -8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.046 5.798 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.593 4.107 -8.109 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.533 4.712 -10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.746 5.255 -8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.596 5.425 -9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.059 4.928 -12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.351 5.238 -12.135 1.00 0.00 H new ATOM 246 N MET A 17 -10.502 4.698 -4.364 1.00 0.00 N ATOM 247 CA MET A 17 -10.102 5.747 -3.441 1.00 0.00 C ATOM 248 C MET A 17 -9.517 5.153 -2.157 1.00 0.00 C ATOM 249 O MET A 17 -9.513 3.936 -1.977 1.00 0.00 O ATOM 250 CB MET A 17 -11.314 6.614 -3.096 1.00 0.00 C ATOM 251 CG MET A 17 -11.765 7.432 -4.309 1.00 0.00 C ATOM 252 SD MET A 17 -10.432 8.480 -4.867 1.00 0.00 S ATOM 253 CE MET A 17 -11.015 8.874 -6.507 1.00 0.00 C ATOM 0 H MET A 17 -10.706 3.800 -3.926 1.00 0.00 H new ATOM 0 HA MET A 17 -9.335 6.355 -3.921 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.133 5.981 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.064 7.284 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.075 6.765 -5.113 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.631 8.040 -4.047 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.408 8.349 -7.245 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.056 8.565 -6.607 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.938 9.949 -6.672 1.00 0.00 H new ATOM 261 N GLU A 18 -9.039 6.040 -1.297 1.00 0.00 N ATOM 262 CA GLU A 18 -8.453 5.619 -0.036 1.00 0.00 C ATOM 263 C GLU A 18 -9.550 5.189 0.941 1.00 0.00 C ATOM 264 O GLU A 18 -10.678 5.673 0.866 1.00 0.00 O ATOM 265 CB GLU A 18 -7.589 6.729 0.565 1.00 0.00 C ATOM 266 CG GLU A 18 -6.162 6.239 0.814 1.00 0.00 C ATOM 267 CD GLU A 18 -6.163 4.847 1.450 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.509 4.706 2.632 1.00 0.00 O ATOM 269 OE2 GLU A 18 -5.788 3.891 0.669 1.00 0.00 O ATOM 0 H GLU A 18 -9.046 7.049 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.806 4.763 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.571 7.586 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.029 7.070 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.613 6.212 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.642 6.940 1.466 1.00 0.00 H new ATOM 275 N ALA A 19 -9.180 4.283 1.834 1.00 0.00 N ATOM 276 CA ALA A 19 -10.117 3.782 2.824 1.00 0.00 C ATOM 277 C ALA A 19 -10.466 4.905 3.805 1.00 0.00 C ATOM 278 O ALA A 19 -11.619 5.043 4.211 1.00 0.00 O ATOM 279 CB ALA A 19 -9.517 2.562 3.525 1.00 0.00 C ATOM 0 H ALA A 19 -8.244 3.883 1.892 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.043 3.461 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.221 2.187 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.315 1.783 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.587 2.846 4.017 1.00 0.00 H new ATOM 285 N ALA A 20 -9.448 5.676 4.156 1.00 0.00 N ATOM 286 CA ALA A 20 -9.632 6.782 5.081 1.00 0.00 C ATOM 287 C ALA A 20 -10.893 7.558 4.697 1.00 0.00 C ATOM 288 O ALA A 20 -11.641 8.005 5.565 1.00 0.00 O ATOM 289 CB ALA A 20 -8.381 7.663 5.080 1.00 0.00 C ATOM 0 H ALA A 20 -8.493 5.557 3.817 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.769 6.413 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.519 8.492 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.519 7.071 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.212 8.054 4.077 1.00 0.00 H new ATOM 295 N GLN A 21 -11.091 7.694 3.394 1.00 0.00 N ATOM 296 CA GLN A 21 -12.248 8.410 2.883 1.00 0.00 C ATOM 297 C GLN A 21 -13.528 7.626 3.179 1.00 0.00 C ATOM 298 O GLN A 21 -14.508 8.191 3.663 1.00 0.00 O ATOM 299 CB GLN A 21 -12.106 8.684 1.385 1.00 0.00 C ATOM 300 CG GLN A 21 -11.215 9.901 1.132 1.00 0.00 C ATOM 301 CD GLN A 21 -11.226 10.290 -0.348 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.623 11.379 -0.729 1.00 0.00 O ATOM 303 NE2 GLN A 21 -10.768 9.341 -1.160 1.00 0.00 N ATOM 0 H GLN A 21 -10.470 7.320 2.677 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.309 9.373 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.683 7.810 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -13.090 8.852 0.948 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.560 10.741 1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.195 9.681 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.451 8.451 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.734 9.504 -2.166 1.00 0.00 H new ATOM 310 N ILE A 22 -13.479 6.337 2.875 1.00 0.00 N ATOM 311 CA ILE A 22 -14.623 5.471 3.103 1.00 0.00 C ATOM 312 C ILE A 22 -15.003 5.512 4.585 1.00 0.00 C ATOM 313 O ILE A 22 -16.180 5.617 4.925 1.00 0.00 O ATOM 314 CB ILE A 22 -14.340 4.061 2.579 1.00 0.00 C ATOM 315 CG1 ILE A 22 -14.017 4.086 1.084 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.498 3.115 2.899 1.00 0.00 C ATOM 317 CD1 ILE A 22 -13.111 2.914 0.700 1.00 0.00 C ATOM 0 H ILE A 22 -12.665 5.872 2.473 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.488 5.827 2.543 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.459 3.677 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.941 4.040 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.529 5.027 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.272 2.120 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.639 3.065 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.410 3.485 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.896 2.955 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.178 2.976 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.612 1.975 0.934 1.00 0.00 H new ATOM 328 N SER A 23 -13.982 5.427 5.426 1.00 0.00 N ATOM 329 CA SER A 23 -14.195 5.452 6.863 1.00 0.00 C ATOM 330 C SER A 23 -14.930 6.733 7.260 1.00 0.00 C ATOM 331 O SER A 23 -15.855 6.697 8.070 1.00 0.00 O ATOM 332 CB SER A 23 -12.867 5.346 7.617 1.00 0.00 C ATOM 333 OG SER A 23 -12.137 6.569 7.585 1.00 0.00 O ATOM 0 H SER A 23 -13.007 5.341 5.140 1.00 0.00 H new ATOM 0 HA SER A 23 -14.806 4.591 7.134 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.059 5.065 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.263 4.552 7.178 1.00 0.00 H new ATOM 0 HG SER A 23 -12.182 6.954 6.685 1.00 0.00 H new ATOM 338 N GLN A 24 -14.492 7.836 6.672 1.00 0.00 N ATOM 339 CA GLN A 24 -15.097 9.127 6.955 1.00 0.00 C ATOM 340 C GLN A 24 -16.576 9.116 6.565 1.00 0.00 C ATOM 341 O GLN A 24 -17.425 9.590 7.320 1.00 0.00 O ATOM 342 CB GLN A 24 -14.349 10.252 6.238 1.00 0.00 C ATOM 343 CG GLN A 24 -13.497 11.057 7.220 1.00 0.00 C ATOM 344 CD GLN A 24 -13.049 12.383 6.600 1.00 0.00 C ATOM 345 OE1 GLN A 24 -13.651 12.898 5.671 1.00 0.00 O ATOM 346 NE2 GLN A 24 -11.962 12.904 7.162 1.00 0.00 N ATOM 0 H GLN A 24 -13.725 7.863 6.000 1.00 0.00 H new ATOM 0 HA GLN A 24 -15.025 9.313 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.713 9.832 5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -15.063 10.912 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -14.068 11.251 8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.623 10.474 7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.507 12.421 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.584 13.787 6.819 1.00 0.00 H new ATOM 353 N THR A 25 -16.841 8.570 5.387 1.00 0.00 N ATOM 354 CA THR A 25 -18.203 8.491 4.888 1.00 0.00 C ATOM 355 C THR A 25 -19.149 8.017 5.992 1.00 0.00 C ATOM 356 O THR A 25 -20.207 8.607 6.204 1.00 0.00 O ATOM 357 CB THR A 25 -18.203 7.583 3.656 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.355 8.254 2.729 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.564 7.545 2.957 1.00 0.00 C ATOM 0 H THR A 25 -16.135 8.178 4.764 1.00 0.00 H new ATOM 0 HA THR A 25 -18.571 9.472 4.587 1.00 0.00 H new ATOM 0 HB THR A 25 -17.917 6.573 3.950 1.00 0.00 H new ATOM 0 HG1 THR A 25 -17.297 7.732 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.509 6.887 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.318 7.171 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.835 8.550 2.633 1.00 0.00 H new ATOM 367 N LEU A 26 -18.734 6.955 6.668 1.00 0.00 N ATOM 368 CA LEU A 26 -19.531 6.395 7.745 1.00 0.00 C ATOM 369 C LEU A 26 -18.902 6.770 9.089 1.00 0.00 C ATOM 370 O LEU A 26 -19.096 6.075 10.085 1.00 0.00 O ATOM 371 CB LEU A 26 -19.712 4.888 7.551 1.00 0.00 C ATOM 372 CG LEU A 26 -18.747 4.218 6.572 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.718 2.703 6.781 1.00 0.00 C ATOM 374 CD2 LEU A 26 -19.084 4.591 5.126 1.00 0.00 C ATOM 0 H LEU A 26 -17.856 6.468 6.490 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.536 6.818 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.610 4.402 8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.731 4.705 7.209 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.743 4.590 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.024 2.251 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.393 2.482 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.716 2.295 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.382 4.101 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.098 4.266 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.012 5.672 5.003 1.00 0.00 H new ATOM 385 N ASN A 27 -18.161 7.869 9.072 1.00 0.00 N ATOM 386 CA ASN A 27 -17.502 8.345 10.276 1.00 0.00 C ATOM 387 C ASN A 27 -16.989 7.147 11.079 1.00 0.00 C ATOM 388 O ASN A 27 -16.935 7.196 12.306 1.00 0.00 O ATOM 389 CB ASN A 27 -18.472 9.127 11.162 1.00 0.00 C ATOM 390 CG ASN A 27 -17.796 10.366 11.755 1.00 0.00 C ATOM 391 OD1 ASN A 27 -18.094 11.495 11.405 1.00 0.00 O ATOM 392 ND2 ASN A 27 -16.871 10.091 12.671 1.00 0.00 N ATOM 0 H ASN A 27 -18.003 8.443 8.244 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.682 8.997 9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.342 9.427 10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.834 8.486 11.966 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -16.363 10.849 13.126 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.670 9.122 12.918 1.00 0.00 H new ATOM 398 N THR A 28 -16.625 6.100 10.353 1.00 0.00 N ATOM 399 CA THR A 28 -16.119 4.892 10.982 1.00 0.00 C ATOM 400 C THR A 28 -14.620 5.025 11.261 1.00 0.00 C ATOM 401 O THR A 28 -13.952 5.885 10.689 1.00 0.00 O ATOM 402 CB THR A 28 -16.467 3.708 10.079 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.995 2.732 10.974 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.225 3.037 9.488 1.00 0.00 C ATOM 0 H THR A 28 -16.671 6.063 9.335 1.00 0.00 H new ATOM 0 HA THR A 28 -16.585 4.726 11.953 1.00 0.00 H new ATOM 0 HB THR A 28 -17.116 4.047 9.271 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.249 1.930 10.471 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.528 2.203 8.855 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.669 3.761 8.892 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.592 2.668 10.295 1.00 0.00 H new ATOM 412 N PRO A 29 -14.124 4.137 12.163 1.00 0.00 N ATOM 413 CA PRO A 29 -12.717 4.146 12.526 1.00 0.00 C ATOM 414 C PRO A 29 -11.860 3.545 11.410 1.00 0.00 C ATOM 415 O PRO A 29 -12.224 2.527 10.822 1.00 0.00 O ATOM 416 CB PRO A 29 -12.639 3.359 13.824 1.00 0.00 C ATOM 417 CG PRO A 29 -13.922 2.548 13.896 1.00 0.00 C ATOM 418 CD PRO A 29 -14.885 3.105 12.861 1.00 0.00 C ATOM 0 HA PRO A 29 -12.325 5.154 12.664 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.764 2.709 13.835 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.550 4.027 14.681 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.719 1.495 13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.357 2.609 14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.221 2.328 12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.776 3.521 13.332 1.00 0.00 H new ATOM 423 N GLN A 30 -10.737 4.199 11.151 1.00 0.00 N ATOM 424 CA GLN A 30 -9.826 3.741 10.116 1.00 0.00 C ATOM 425 C GLN A 30 -9.604 2.232 10.234 1.00 0.00 C ATOM 426 O GLN A 30 -9.753 1.501 9.256 1.00 0.00 O ATOM 427 CB GLN A 30 -8.497 4.497 10.183 1.00 0.00 C ATOM 428 CG GLN A 30 -8.089 5.012 8.801 1.00 0.00 C ATOM 429 CD GLN A 30 -7.457 3.897 7.965 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.369 3.421 8.240 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.199 3.510 6.931 1.00 0.00 N ATOM 0 H GLN A 30 -10.437 5.042 11.640 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.276 3.947 9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.585 5.334 10.876 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.720 3.840 10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.963 5.408 8.284 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.383 5.835 8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.102 3.951 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.865 2.772 6.311 1.00 0.00 H new ATOM 438 N PRO A 31 -9.242 1.799 11.471 1.00 0.00 N ATOM 439 CA PRO A 31 -8.999 0.389 11.729 1.00 0.00 C ATOM 440 C PRO A 31 -10.313 -0.390 11.803 1.00 0.00 C ATOM 441 O PRO A 31 -10.564 -1.101 12.775 1.00 0.00 O ATOM 442 CB PRO A 31 -8.216 0.357 13.031 1.00 0.00 C ATOM 443 CG PRO A 31 -8.450 1.706 13.692 1.00 0.00 C ATOM 444 CD PRO A 31 -9.056 2.635 12.653 1.00 0.00 C ATOM 0 HA PRO A 31 -8.437 -0.094 10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.557 -0.456 13.672 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.155 0.192 12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.118 1.602 14.547 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.512 2.114 14.069 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.003 3.050 12.997 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.397 3.477 12.442 1.00 0.00 H new ATOM 449 N MET A 32 -11.118 -0.231 10.762 1.00 0.00 N ATOM 450 CA MET A 32 -12.401 -0.909 10.697 1.00 0.00 C ATOM 451 C MET A 32 -12.727 -1.328 9.261 1.00 0.00 C ATOM 452 O MET A 32 -13.179 -2.447 9.024 1.00 0.00 O ATOM 453 CB MET A 32 -13.498 0.019 11.221 1.00 0.00 C ATOM 454 CG MET A 32 -14.555 -0.767 11.999 1.00 0.00 C ATOM 455 SD MET A 32 -15.676 -1.571 10.865 1.00 0.00 S ATOM 456 CE MET A 32 -16.488 -2.702 11.982 1.00 0.00 C ATOM 0 H MET A 32 -10.906 0.358 9.957 1.00 0.00 H new ATOM 0 HA MET A 32 -12.348 -1.806 11.314 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.058 0.780 11.865 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.968 0.540 10.387 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.073 -1.510 12.635 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.108 -0.096 12.656 1.00 0.00 H new ATOM 0 HE1 MET A 32 -17.274 -3.237 11.450 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.761 -3.416 12.369 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.925 -2.144 12.810 1.00 0.00 H new ATOM 464 N ILE A 33 -12.488 -0.404 8.342 1.00 0.00 N ATOM 465 CA ILE A 33 -12.752 -0.662 6.936 1.00 0.00 C ATOM 466 C ILE A 33 -11.633 -1.536 6.364 1.00 0.00 C ATOM 467 O ILE A 33 -11.885 -2.405 5.531 1.00 0.00 O ATOM 468 CB ILE A 33 -12.953 0.652 6.179 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.091 1.470 6.793 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.171 0.396 4.686 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.446 0.819 6.516 1.00 0.00 C ATOM 0 H ILE A 33 -12.115 0.524 8.543 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.683 -1.217 6.818 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.043 1.245 6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.940 1.559 7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.079 2.480 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.311 1.346 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.301 -0.115 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -14.056 -0.225 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.237 1.421 6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.605 0.753 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.464 -0.182 6.947 1.00 0.00 H new ATOM 482 N ASN A 34 -10.422 -1.275 6.835 1.00 0.00 N ATOM 483 CA ASN A 34 -9.266 -2.028 6.381 1.00 0.00 C ATOM 484 C ASN A 34 -9.518 -3.521 6.594 1.00 0.00 C ATOM 485 O ASN A 34 -9.197 -4.338 5.732 1.00 0.00 O ATOM 486 CB ASN A 34 -8.013 -1.642 7.171 1.00 0.00 C ATOM 487 CG ASN A 34 -7.487 -0.275 6.731 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.193 -0.037 5.571 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.383 0.609 7.720 1.00 0.00 N ATOM 0 H ASN A 34 -10.217 -0.553 7.526 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.111 -1.804 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.242 -1.622 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.240 -2.397 7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.040 1.550 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.646 0.345 8.670 1.00 0.00 H new ATOM 495 N ALA A 35 -10.090 -3.833 7.748 1.00 0.00 N ATOM 496 CA ALA A 35 -10.389 -5.214 8.085 1.00 0.00 C ATOM 497 C ALA A 35 -11.310 -5.808 7.017 1.00 0.00 C ATOM 498 O ALA A 35 -11.073 -6.914 6.532 1.00 0.00 O ATOM 499 CB ALA A 35 -11.004 -5.277 9.484 1.00 0.00 C ATOM 0 H ALA A 35 -10.354 -3.153 8.461 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.477 -5.810 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.228 -6.313 9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.299 -4.871 10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.923 -4.692 9.504 1.00 0.00 H new ATOM 505 N MET A 36 -12.341 -5.048 6.680 1.00 0.00 N ATOM 506 CA MET A 36 -13.298 -5.484 5.679 1.00 0.00 C ATOM 507 C MET A 36 -12.638 -5.598 4.303 1.00 0.00 C ATOM 508 O MET A 36 -12.815 -6.595 3.606 1.00 0.00 O ATOM 509 CB MET A 36 -14.456 -4.487 5.609 1.00 0.00 C ATOM 510 CG MET A 36 -14.891 -4.055 7.011 1.00 0.00 C ATOM 511 SD MET A 36 -16.626 -4.400 7.245 1.00 0.00 S ATOM 512 CE MET A 36 -16.649 -4.698 9.005 1.00 0.00 C ATOM 0 H MET A 36 -12.534 -4.131 7.083 1.00 0.00 H new ATOM 0 HA MET A 36 -13.672 -6.467 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.154 -3.613 5.032 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.299 -4.939 5.086 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.302 -4.582 7.762 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.702 -2.990 7.147 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.584 -4.326 9.425 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.566 -5.768 9.194 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.811 -4.181 9.472 1.00 0.00 H new ATOM 520 N LEU A 37 -11.892 -4.561 3.953 1.00 0.00 N ATOM 521 CA LEU A 37 -11.204 -4.532 2.673 1.00 0.00 C ATOM 522 C LEU A 37 -10.299 -5.760 2.557 1.00 0.00 C ATOM 523 O LEU A 37 -10.169 -6.339 1.480 1.00 0.00 O ATOM 524 CB LEU A 37 -10.466 -3.203 2.492 1.00 0.00 C ATOM 525 CG LEU A 37 -11.342 -1.983 2.203 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.629 -0.690 2.600 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.792 -1.964 0.741 1.00 0.00 C ATOM 0 H LEU A 37 -11.749 -3.734 4.533 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.921 -4.586 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.889 -3.005 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.753 -3.315 1.676 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.241 -2.056 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.274 0.162 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.402 -0.712 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.702 -0.597 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.413 -1.086 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.917 -1.927 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.366 -2.865 0.525 1.00 0.00 H new ATOM 538 N GLN A 38 -9.697 -6.120 3.680 1.00 0.00 N ATOM 539 CA GLN A 38 -8.808 -7.269 3.717 1.00 0.00 C ATOM 540 C GLN A 38 -9.581 -8.549 3.395 1.00 0.00 C ATOM 541 O GLN A 38 -9.100 -9.395 2.644 1.00 0.00 O ATOM 542 CB GLN A 38 -8.109 -7.377 5.074 1.00 0.00 C ATOM 543 CG GLN A 38 -6.603 -7.581 4.901 1.00 0.00 C ATOM 544 CD GLN A 38 -6.060 -8.564 5.940 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.399 -9.737 5.959 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.201 -8.024 6.799 1.00 0.00 N ATOM 0 H GLN A 38 -9.807 -5.637 4.571 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.038 -7.133 2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.293 -6.473 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.530 -8.209 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.396 -7.955 3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.089 -6.624 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.961 -7.035 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.782 -8.598 7.530 1.00 0.00 H new ATOM 553 N GLN A 39 -10.766 -8.650 3.979 1.00 0.00 N ATOM 554 CA GLN A 39 -11.610 -9.813 3.763 1.00 0.00 C ATOM 555 C GLN A 39 -12.034 -9.896 2.295 1.00 0.00 C ATOM 556 O GLN A 39 -11.884 -10.937 1.659 1.00 0.00 O ATOM 557 CB GLN A 39 -12.830 -9.784 4.686 1.00 0.00 C ATOM 558 CG GLN A 39 -13.070 -11.156 5.320 1.00 0.00 C ATOM 559 CD GLN A 39 -14.020 -11.996 4.463 1.00 0.00 C ATOM 560 OE1 GLN A 39 -13.706 -12.397 3.355 1.00 0.00 O ATOM 561 NE2 GLN A 39 -15.194 -12.241 5.038 1.00 0.00 N ATOM 0 H GLN A 39 -11.162 -7.946 4.602 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.034 -10.706 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.682 -9.039 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.711 -9.481 4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.120 -11.678 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.489 -11.031 6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.392 -11.875 5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.896 -12.795 4.548 1.00 0.00 H new ATOM 568 N LEU A 40 -12.555 -8.783 1.800 1.00 0.00 N ATOM 569 CA LEU A 40 -13.002 -8.716 0.419 1.00 0.00 C ATOM 570 C LEU A 40 -11.840 -9.080 -0.507 1.00 0.00 C ATOM 571 O LEU A 40 -12.012 -9.851 -1.450 1.00 0.00 O ATOM 572 CB LEU A 40 -13.621 -7.348 0.121 1.00 0.00 C ATOM 573 CG LEU A 40 -14.759 -6.912 1.045 1.00 0.00 C ATOM 574 CD1 LEU A 40 -15.099 -5.435 0.837 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.985 -7.812 0.869 1.00 0.00 C ATOM 0 H LEU A 40 -12.678 -7.920 2.330 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.793 -9.444 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.833 -6.597 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.994 -7.355 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.423 -7.024 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.911 -5.151 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.221 -4.826 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.407 -5.275 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.779 -7.480 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.332 -7.756 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.718 -8.842 1.107 1.00 0.00 H new ATOM 586 N GLU A 41 -10.684 -8.508 -0.206 1.00 0.00 N ATOM 587 CA GLU A 41 -9.494 -8.762 -0.999 1.00 0.00 C ATOM 588 C GLU A 41 -9.210 -10.264 -1.064 1.00 0.00 C ATOM 589 O GLU A 41 -9.016 -10.817 -2.145 1.00 0.00 O ATOM 590 CB GLU A 41 -8.289 -8.000 -0.442 1.00 0.00 C ATOM 591 CG GLU A 41 -7.042 -8.247 -1.293 1.00 0.00 C ATOM 592 CD GLU A 41 -5.853 -8.649 -0.419 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.855 -9.742 0.166 1.00 0.00 O ATOM 594 OE2 GLU A 41 -4.901 -7.780 -0.360 1.00 0.00 O ATOM 0 H GLU A 41 -10.546 -7.869 0.577 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.673 -8.401 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.510 -6.933 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.100 -8.312 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.244 -9.032 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.797 -7.346 -1.855 1.00 0.00 H new ATOM 600 N SER A 42 -9.195 -10.882 0.108 1.00 0.00 N ATOM 601 CA SER A 42 -8.938 -12.309 0.199 1.00 0.00 C ATOM 602 C SER A 42 -9.907 -13.074 -0.705 1.00 0.00 C ATOM 603 O SER A 42 -9.493 -13.937 -1.477 1.00 0.00 O ATOM 604 CB SER A 42 -9.058 -12.801 1.642 1.00 0.00 C ATOM 605 OG SER A 42 -8.486 -14.094 1.816 1.00 0.00 O ATOM 0 H SER A 42 -9.357 -10.420 1.003 1.00 0.00 H new ATOM 0 HA SER A 42 -7.917 -12.494 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.564 -12.094 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.109 -12.828 1.929 1.00 0.00 H new ATOM 0 HG SER A 42 -8.582 -14.371 2.751 1.00 0.00 H new ATOM 610 N MET A 43 -11.180 -12.729 -0.578 1.00 0.00 N ATOM 611 CA MET A 43 -12.213 -13.372 -1.374 1.00 0.00 C ATOM 612 C MET A 43 -11.979 -13.139 -2.868 1.00 0.00 C ATOM 613 O MET A 43 -11.905 -14.089 -3.645 1.00 0.00 O ATOM 614 CB MET A 43 -13.582 -12.817 -0.978 1.00 0.00 C ATOM 615 CG MET A 43 -14.040 -13.391 0.364 1.00 0.00 C ATOM 616 SD MET A 43 -15.787 -13.751 0.311 1.00 0.00 S ATOM 617 CE MET A 43 -15.910 -14.886 1.684 1.00 0.00 C ATOM 0 H MET A 43 -11.520 -12.013 0.064 1.00 0.00 H new ATOM 0 HA MET A 43 -12.177 -14.445 -1.183 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.533 -11.730 -0.915 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.313 -13.059 -1.749 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.480 -14.298 0.591 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.831 -12.680 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.944 -15.213 1.794 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.273 -15.751 1.499 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.588 -14.387 2.598 1.00 0.00 H new ATOM 625 N GLY A 44 -11.869 -11.868 -3.225 1.00 0.00 N ATOM 626 CA GLY A 44 -11.645 -11.497 -4.612 1.00 0.00 C ATOM 627 C GLY A 44 -12.754 -10.571 -5.118 1.00 0.00 C ATOM 628 O GLY A 44 -13.181 -10.678 -6.267 1.00 0.00 O ATOM 0 H GLY A 44 -11.931 -11.082 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.680 -11.000 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.605 -12.394 -5.230 1.00 0.00 H new ATOM 632 N LYS A 45 -13.188 -9.683 -4.236 1.00 0.00 N ATOM 633 CA LYS A 45 -14.238 -8.739 -4.578 1.00 0.00 C ATOM 634 C LYS A 45 -13.627 -7.349 -4.766 1.00 0.00 C ATOM 635 O LYS A 45 -14.059 -6.589 -5.632 1.00 0.00 O ATOM 636 CB LYS A 45 -15.358 -8.783 -3.538 1.00 0.00 C ATOM 637 CG LYS A 45 -15.519 -10.193 -2.964 1.00 0.00 C ATOM 638 CD LYS A 45 -16.088 -11.150 -4.014 1.00 0.00 C ATOM 639 CE LYS A 45 -17.338 -11.859 -3.489 1.00 0.00 C ATOM 640 NZ LYS A 45 -17.979 -12.645 -4.566 1.00 0.00 N ATOM 0 H LYS A 45 -12.831 -9.597 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.703 -9.014 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.139 -8.082 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.295 -8.463 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.553 -10.561 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.179 -10.164 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.333 -10.597 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.333 -11.888 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.070 -12.516 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.042 -11.125 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.826 -13.120 -4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.252 -12.010 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.310 -13.358 -4.920 1.00 0.00 H new ATOM 649 N ALA A 46 -12.632 -7.058 -3.940 1.00 0.00 N ATOM 650 CA ALA A 46 -11.959 -5.772 -4.004 1.00 0.00 C ATOM 651 C ALA A 46 -10.639 -5.931 -4.761 1.00 0.00 C ATOM 652 O ALA A 46 -10.304 -7.025 -5.211 1.00 0.00 O ATOM 653 CB ALA A 46 -11.758 -5.230 -2.588 1.00 0.00 C ATOM 0 H ALA A 46 -12.276 -7.691 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.566 -5.047 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.253 -4.265 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.727 -5.109 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.150 -5.929 -2.014 1.00 0.00 H new ATOM 659 N VAL A 47 -9.923 -4.822 -4.877 1.00 0.00 N ATOM 660 CA VAL A 47 -8.646 -4.824 -5.571 1.00 0.00 C ATOM 661 C VAL A 47 -7.785 -3.672 -5.050 1.00 0.00 C ATOM 662 O VAL A 47 -8.304 -2.612 -4.704 1.00 0.00 O ATOM 663 CB VAL A 47 -8.873 -4.764 -7.083 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.748 -5.928 -7.552 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.479 -3.422 -7.495 1.00 0.00 C ATOM 0 H VAL A 47 -10.203 -3.916 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.105 -5.749 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.903 -4.856 -7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.894 -5.862 -8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.259 -6.871 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.715 -5.881 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.630 -3.407 -8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.437 -3.286 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.803 -2.615 -7.212 1.00 0.00 H new ATOM 675 N ARG A 48 -6.484 -3.918 -5.011 1.00 0.00 N ATOM 676 CA ARG A 48 -5.546 -2.914 -4.538 1.00 0.00 C ATOM 677 C ARG A 48 -5.081 -2.032 -5.699 1.00 0.00 C ATOM 678 O ARG A 48 -4.824 -2.529 -6.795 1.00 0.00 O ATOM 679 CB ARG A 48 -4.326 -3.566 -3.881 1.00 0.00 C ATOM 680 CG ARG A 48 -4.514 -3.679 -2.368 1.00 0.00 C ATOM 681 CD ARG A 48 -3.166 -3.642 -1.645 1.00 0.00 C ATOM 682 NE ARG A 48 -3.159 -4.626 -0.538 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.211 -4.676 0.423 1.00 0.00 C ATOM 684 NH1 ARG A 48 -1.186 -3.798 0.421 1.00 0.00 N ATOM 685 NH2 ARG A 48 -2.304 -5.598 1.364 1.00 0.00 N ATOM 0 H ARG A 48 -6.057 -4.798 -5.299 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.061 -2.303 -3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.165 -4.557 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.434 -2.978 -4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.143 -2.863 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.033 -4.608 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.362 -3.865 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.981 -2.641 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.917 -5.308 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.123 -3.089 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.475 -3.843 1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.082 -6.257 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.597 -5.651 2.098 1.00 0.00 H new ATOM 695 N ILE A 49 -4.991 -0.741 -5.419 1.00 0.00 N ATOM 696 CA ILE A 49 -4.562 0.214 -6.426 1.00 0.00 C ATOM 697 C ILE A 49 -3.297 0.927 -5.943 1.00 0.00 C ATOM 698 O ILE A 49 -3.080 1.066 -4.740 1.00 0.00 O ATOM 699 CB ILE A 49 -5.706 1.167 -6.783 1.00 0.00 C ATOM 700 CG1 ILE A 49 -6.830 0.426 -7.509 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.193 2.362 -7.588 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.772 -0.255 -6.513 1.00 0.00 C ATOM 0 H ILE A 49 -5.208 -0.334 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.304 -0.300 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.125 1.560 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.393 1.126 -8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.404 -0.320 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.026 3.023 -7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.455 2.907 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.732 2.009 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.562 -0.774 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.211 -0.972 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.215 0.496 -5.859 1.00 0.00 H new ATOM 713 N GLN A 50 -2.495 1.358 -6.905 1.00 0.00 N ATOM 714 CA GLN A 50 -1.258 2.052 -6.592 1.00 0.00 C ATOM 715 C GLN A 50 -1.358 3.524 -6.996 1.00 0.00 C ATOM 716 O GLN A 50 -2.076 3.867 -7.935 1.00 0.00 O ATOM 717 CB GLN A 50 -0.064 1.377 -7.270 1.00 0.00 C ATOM 718 CG GLN A 50 1.212 2.201 -7.080 1.00 0.00 C ATOM 719 CD GLN A 50 2.456 1.315 -7.178 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.963 1.028 -8.250 1.00 0.00 O ATOM 721 NE2 GLN A 50 2.916 0.898 -6.002 1.00 0.00 N ATOM 0 H GLN A 50 -2.678 1.240 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.099 2.001 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.078 0.379 -6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.267 1.254 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.259 2.985 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.189 2.695 -6.109 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.443 1.176 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.742 0.300 -5.960 1.00 0.00 H new ATOM 728 N GLU A 51 -0.628 4.356 -6.267 1.00 0.00 N ATOM 729 CA GLU A 51 -0.625 5.784 -6.539 1.00 0.00 C ATOM 730 C GLU A 51 0.742 6.221 -7.068 1.00 0.00 C ATOM 731 O GLU A 51 1.698 5.449 -7.040 1.00 0.00 O ATOM 732 CB GLU A 51 -1.010 6.581 -5.290 1.00 0.00 C ATOM 733 CG GLU A 51 -2.403 7.196 -5.440 1.00 0.00 C ATOM 734 CD GLU A 51 -2.311 8.663 -5.867 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.359 8.963 -7.068 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.186 9.505 -4.898 1.00 0.00 O ATOM 0 H GLU A 51 -0.035 4.069 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.372 5.989 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.989 5.929 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.277 7.369 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.975 6.634 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.941 7.121 -4.495 1.00 0.00 H new ATOM 975 N ARG A 72 1.005 4.645 -0.761 1.00 0.00 N ATOM 976 CA ARG A 72 -0.340 4.529 -0.225 1.00 0.00 C ATOM 977 C ARG A 72 -1.273 3.903 -1.263 1.00 0.00 C ATOM 978 O ARG A 72 -1.902 4.612 -2.046 1.00 0.00 O ATOM 979 CB ARG A 72 -0.890 5.898 0.185 1.00 0.00 C ATOM 980 CG ARG A 72 -0.797 6.095 1.698 1.00 0.00 C ATOM 981 CD ARG A 72 -2.186 6.291 2.312 1.00 0.00 C ATOM 982 NE ARG A 72 -2.096 6.264 3.788 1.00 0.00 N ATOM 983 CZ ARG A 72 -1.605 7.275 4.535 1.00 0.00 C ATOM 984 NH1 ARG A 72 -1.156 8.405 3.948 1.00 0.00 N ATOM 985 NH2 ARG A 72 -1.572 7.144 5.848 1.00 0.00 N ATOM 0 HA ARG A 72 -0.291 3.890 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.332 6.685 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.929 5.987 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.314 5.230 2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.173 6.961 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.607 7.241 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.859 5.507 1.966 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.426 5.429 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.186 8.499 2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.786 9.165 4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.915 6.288 6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.204 7.899 6.427 1.00 0.00 H new ATOM 995 N GLU A 73 -1.334 2.579 -1.234 1.00 0.00 N ATOM 996 CA GLU A 73 -2.179 1.849 -2.162 1.00 0.00 C ATOM 997 C GLU A 73 -3.649 2.211 -1.939 1.00 0.00 C ATOM 998 O GLU A 73 -4.096 2.336 -0.800 1.00 0.00 O ATOM 999 CB GLU A 73 -1.960 0.340 -2.033 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.552 -0.050 -2.485 1.00 0.00 C ATOM 1001 CD GLU A 73 0.168 -0.856 -1.400 1.00 0.00 C ATOM 1002 OE1 GLU A 73 0.688 -0.274 -0.438 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.173 -2.132 -1.583 1.00 0.00 O ATOM 0 H GLU A 73 -0.812 1.994 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.904 2.137 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.111 0.034 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.699 -0.191 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.610 -0.637 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.021 0.848 -2.717 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.362 2.369 -3.046 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.772 2.715 -2.985 1.00 0.00 C ATOM 1011 C TRP A 74 -6.578 1.416 -3.043 1.00 0.00 C ATOM 1012 O TRP A 74 -6.031 0.353 -3.330 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.143 3.699 -4.095 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.732 5.144 -3.807 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.307 5.667 -2.649 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.724 6.240 -4.748 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.028 7.013 -2.773 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.290 7.372 -4.090 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.074 6.272 -6.110 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.163 8.620 -4.713 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.943 7.526 -6.717 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.506 8.676 -6.069 1.00 0.00 C ATOM 0 H TRP A 74 -3.989 2.264 -3.990 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.005 3.229 -2.052 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.673 3.377 -5.024 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.221 3.663 -4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.197 5.106 -1.733 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -4.692 7.631 -2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.417 5.398 -6.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.819 9.492 -4.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.200 7.606 -7.763 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.432 9.608 -6.609 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.868 1.546 -2.766 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.756 0.396 -2.783 1.00 0.00 C ATOM 1034 C TRP A 75 -9.887 0.687 -3.772 1.00 0.00 C ATOM 1035 O TRP A 75 -10.327 1.828 -3.899 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.262 0.073 -1.375 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.160 -0.345 -0.399 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.439 0.440 0.415 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.679 -1.685 -0.166 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.534 -0.296 1.153 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.684 -1.629 0.788 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.073 -2.905 -0.743 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -5.999 -2.759 1.250 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.379 -4.026 -0.270 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.375 -3.986 0.689 1.00 0.00 C ATOM 0 H TRP A 75 -8.319 2.430 -2.529 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.225 -0.497 -3.114 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.775 0.947 -0.975 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -9.999 -0.727 -1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.552 1.512 0.484 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -5.876 0.071 1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.849 -2.972 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.223 -2.689 1.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.643 -4.990 -0.680 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.886 -4.897 1.001 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.325 -0.367 -4.447 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.396 -0.239 -5.420 1.00 0.00 C ATOM 1057 C ALA A 76 -12.084 -1.593 -5.596 1.00 0.00 C ATOM 1058 O ALA A 76 -11.691 -2.579 -4.973 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.829 0.303 -6.735 1.00 0.00 C ATOM 0 H ALA A 76 -9.957 -1.312 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.148 0.470 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.632 0.399 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.378 1.280 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.073 -0.384 -7.116 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.099 -1.600 -6.448 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.845 -2.817 -6.713 1.00 0.00 C ATOM 1067 C LEU A 77 -13.197 -3.564 -7.881 1.00 0.00 C ATOM 1068 O LEU A 77 -12.572 -2.950 -8.745 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.327 -2.502 -6.933 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.944 -1.485 -5.971 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -16.858 -0.510 -6.717 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -16.672 -2.187 -4.823 1.00 0.00 C ATOM 0 H LEU A 77 -13.422 -0.781 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.808 -3.480 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.453 -2.133 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.891 -3.432 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.137 -0.899 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.284 0.202 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.280 0.027 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.661 -1.064 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.101 -1.441 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.468 -2.814 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.967 -2.807 -4.270 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.366 -4.878 -7.869 1.00 0.00 N ATOM 1084 CA ARG A 78 -12.805 -5.715 -8.916 1.00 0.00 C ATOM 1085 C ARG A 78 -13.365 -5.306 -10.279 1.00 0.00 C ATOM 1086 O ARG A 78 -14.489 -5.667 -10.626 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.115 -7.192 -8.666 1.00 0.00 C ATOM 1088 CG ARG A 78 -11.874 -8.058 -8.885 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.209 -7.734 -10.225 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.972 -8.980 -10.987 1.00 0.00 N ATOM 1091 CZ ARG A 78 -10.699 -9.020 -12.309 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -10.627 -7.878 -13.027 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -10.504 -10.189 -12.888 1.00 0.00 N ATOM 0 H ARG A 78 -13.884 -5.384 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.724 -5.577 -8.908 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.479 -7.323 -7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.912 -7.518 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.164 -7.895 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.152 -9.112 -8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.843 -7.061 -10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.265 -7.216 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.018 -9.865 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.779 -6.978 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.420 -7.915 -14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.560 -11.046 -12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.297 -10.236 -13.886 1.00 0.00 H new