USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 566 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 4 MET CE :methyl -151:sc= -0.337 (180deg=-1.28!) USER MOD Set 1.2: A 63 CYS SG : rot 83:sc= -0.614 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -51:sc= 0.234! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 40:sc= -0.0687 USER MOD Single : A 30 THR OG1 : rot -35:sc= 0.169 USER MOD Single : A 33 SER OG : rot 68:sc= 0.00547 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 35 SER OG : rot 27:sc= 0.0782 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 135:sc= -1.77 (180deg=-2.56) USER MOD Single : A 48 THR OG1 : rot 150:sc= -0.136 USER MOD Single : A 57 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.031) USER MOD Single : A 61 SER OG : rot -69:sc= 0.996 USER MOD Single : A 64 ASN :FLIP amide:sc= 0.708 F(o=0.066,f=0.71) USER MOD Single : A 66 ASN : amide:sc=-0.00128 X(o=-0.0013,f=0) USER MOD Single : A 70 MET CE :methyl 174:sc= -5.35! (180deg=-5.73!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.859 0.058 0.084 1.00 0.00 N ATOM 2 CA ALA A 1 2.750 1.056 -0.496 1.00 0.00 C ATOM 3 C ALA A 1 4.191 0.559 -0.517 1.00 0.00 C ATOM 4 O ALA A 1 5.047 1.076 0.201 1.00 0.00 O ATOM 5 CB ALA A 1 2.651 2.363 0.277 1.00 0.00 C ATOM 0 H1 ALA A 1 0.885 0.422 0.086 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.901 -0.815 -0.480 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.155 -0.146 1.060 1.00 0.00 H new ATOM 0 HA ALA A 1 2.439 1.231 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.321 3.100 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.627 2.733 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.934 2.194 1.316 1.00 0.00 H new ATOM 11 N ASP A 2 4.453 -0.448 -1.343 1.00 0.00 N ATOM 12 CA ASP A 2 5.792 -1.014 -1.458 1.00 0.00 C ATOM 13 C ASP A 2 6.299 -0.924 -2.894 1.00 0.00 C ATOM 14 O ASP A 2 5.519 -0.732 -3.827 1.00 0.00 O ATOM 15 CB ASP A 2 5.794 -2.472 -0.994 1.00 0.00 C ATOM 16 CG ASP A 2 4.449 -3.144 -1.193 1.00 0.00 C ATOM 17 OD1 ASP A 2 3.911 -3.074 -2.317 1.00 0.00 O ATOM 18 OD2 ASP A 2 3.936 -3.741 -0.223 1.00 0.00 O ATOM 0 H ASP A 2 3.756 -0.889 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 2 6.460 -0.436 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.557 -3.024 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.066 -2.514 0.061 1.00 0.00 H new ATOM 23 N ASP A 3 7.609 -1.064 -3.064 1.00 0.00 N ATOM 24 CA ASP A 3 8.220 -0.998 -4.386 1.00 0.00 C ATOM 25 C ASP A 3 9.043 -2.252 -4.667 1.00 0.00 C ATOM 26 O ASP A 3 9.100 -2.727 -5.801 1.00 0.00 O ATOM 27 CB ASP A 3 9.105 0.244 -4.501 1.00 0.00 C ATOM 28 CG ASP A 3 8.302 1.530 -4.491 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.191 1.540 -5.060 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.785 2.527 -3.914 1.00 0.00 O ATOM 0 H ASP A 3 8.268 -1.224 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 3 7.422 -0.935 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.817 0.257 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.686 0.189 -5.422 1.00 0.00 H new ATOM 35 N MET A 4 9.679 -2.781 -3.627 1.00 0.00 N ATOM 36 CA MET A 4 10.498 -3.980 -3.763 1.00 0.00 C ATOM 37 C MET A 4 10.061 -5.053 -2.771 1.00 0.00 C ATOM 38 O MET A 4 10.184 -6.247 -3.041 1.00 0.00 O ATOM 39 CB MET A 4 11.975 -3.641 -3.548 1.00 0.00 C ATOM 40 CG MET A 4 12.276 -3.089 -2.164 1.00 0.00 C ATOM 41 SD MET A 4 12.092 -1.297 -2.076 1.00 0.00 S ATOM 42 CE MET A 4 13.348 -0.771 -3.240 1.00 0.00 C ATOM 0 H MET A 4 9.643 -2.399 -2.682 1.00 0.00 H new ATOM 0 HA MET A 4 10.365 -4.368 -4.773 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.573 -4.538 -3.710 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.285 -2.912 -4.296 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.609 -3.555 -1.438 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.293 -3.360 -1.882 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.724 0.211 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.169 -1.488 -3.239 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.917 -0.715 -4.240 1.00 0.00 H new ATOM 52 N GLU A 5 9.551 -4.618 -1.623 1.00 0.00 N ATOM 53 CA GLU A 5 9.097 -5.543 -0.591 1.00 0.00 C ATOM 54 C GLU A 5 8.033 -6.491 -1.139 1.00 0.00 C ATOM 55 O GLU A 5 7.938 -7.644 -0.719 1.00 0.00 O ATOM 56 CB GLU A 5 8.539 -4.772 0.607 1.00 0.00 C ATOM 57 CG GLU A 5 9.497 -3.729 1.159 1.00 0.00 C ATOM 58 CD GLU A 5 9.189 -3.356 2.596 1.00 0.00 C ATOM 59 OE1 GLU A 5 7.994 -3.318 2.957 1.00 0.00 O ATOM 60 OE2 GLU A 5 10.143 -3.103 3.360 1.00 0.00 O ATOM 0 H GLU A 5 9.442 -3.632 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 5 9.954 -6.134 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.611 -4.281 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.289 -5.478 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.517 -4.109 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.452 -2.835 0.538 1.00 0.00 H new ATOM 67 N ARG A 6 7.236 -5.995 -2.079 1.00 0.00 N ATOM 68 CA ARG A 6 6.178 -6.795 -2.684 1.00 0.00 C ATOM 69 C ARG A 6 6.762 -7.852 -3.617 1.00 0.00 C ATOM 70 O ARG A 6 6.136 -8.881 -3.874 1.00 0.00 O ATOM 71 CB ARG A 6 5.208 -5.899 -3.456 1.00 0.00 C ATOM 72 CG ARG A 6 3.928 -6.604 -3.874 1.00 0.00 C ATOM 73 CD ARG A 6 2.955 -6.727 -2.711 1.00 0.00 C ATOM 74 NE ARG A 6 2.279 -5.464 -2.427 1.00 0.00 N ATOM 75 CZ ARG A 6 1.228 -5.023 -3.111 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.737 -5.740 -4.113 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.667 -3.864 -2.792 1.00 0.00 N ATOM 0 H ARG A 6 7.303 -5.043 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 6 5.637 -7.299 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.953 -5.037 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.709 -5.517 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.457 -6.053 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.166 -7.596 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.213 -7.492 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.492 -7.058 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 6 2.633 -4.889 -1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.166 -6.632 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.070 -5.400 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.042 -3.311 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.139 -3.526 -3.317 1.00 0.00 H new ATOM 91 N ILE A 7 7.964 -7.591 -4.120 1.00 0.00 N ATOM 92 CA ILE A 7 8.632 -8.519 -5.024 1.00 0.00 C ATOM 93 C ILE A 7 9.475 -9.528 -4.251 1.00 0.00 C ATOM 94 O ILE A 7 9.381 -10.734 -4.477 1.00 0.00 O ATOM 95 CB ILE A 7 9.532 -7.777 -6.029 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.918 -6.425 -6.396 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.746 -8.624 -7.274 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.693 -5.678 -7.458 1.00 0.00 C ATOM 0 H ILE A 7 8.495 -6.744 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 7 7.850 -9.046 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 7 10.501 -7.599 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.897 -6.581 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.857 -5.807 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.384 -8.086 -7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.223 -9.564 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.784 -8.830 -7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.200 -4.729 -7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.707 -5.490 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.732 -6.276 -8.368 1.00 0.00 H new ATOM 110 N PHE A 8 10.297 -9.025 -3.336 1.00 0.00 N ATOM 111 CA PHE A 8 11.157 -9.882 -2.527 1.00 0.00 C ATOM 112 C PHE A 8 10.347 -10.987 -1.856 1.00 0.00 C ATOM 113 O PHE A 8 10.610 -12.174 -2.053 1.00 0.00 O ATOM 114 CB PHE A 8 11.887 -9.054 -1.468 1.00 0.00 C ATOM 115 CG PHE A 8 12.528 -9.886 -0.394 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.659 -10.638 -0.665 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.999 -9.915 0.886 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.252 -11.405 0.321 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.588 -10.679 1.876 1.00 0.00 C ATOM 120 CZ PHE A 8 13.715 -11.426 1.593 1.00 0.00 C ATOM 0 H PHE A 8 10.386 -8.029 -3.136 1.00 0.00 H new ATOM 0 HA PHE A 8 11.892 -10.344 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.653 -8.450 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.181 -8.363 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.083 -10.625 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.117 -9.334 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 8 15.134 -11.987 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.167 -10.692 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.175 -12.025 2.365 1.00 0.00 H new ATOM 130 N LYS A 9 9.360 -10.589 -1.060 1.00 0.00 N ATOM 131 CA LYS A 9 8.509 -11.543 -0.359 1.00 0.00 C ATOM 132 C LYS A 9 7.858 -12.514 -1.338 1.00 0.00 C ATOM 133 O LYS A 9 7.604 -13.671 -1.004 1.00 0.00 O ATOM 134 CB LYS A 9 7.431 -10.806 0.439 1.00 0.00 C ATOM 135 CG LYS A 9 7.869 -10.420 1.841 1.00 0.00 C ATOM 136 CD LYS A 9 7.293 -11.362 2.884 1.00 0.00 C ATOM 137 CE LYS A 9 6.928 -10.623 4.163 1.00 0.00 C ATOM 138 NZ LYS A 9 5.644 -9.881 4.027 1.00 0.00 N ATOM 0 H LYS A 9 9.130 -9.611 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 9 9.135 -12.113 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.142 -9.906 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.545 -11.437 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.957 -10.433 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.550 -9.400 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.407 -11.854 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.018 -12.144 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.851 -11.335 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.725 -9.925 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.430 -9.391 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.726 -9.184 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.878 -10.550 3.807 1.00 0.00 H new ATOM 152 N ARG A 10 7.590 -12.035 -2.549 1.00 0.00 N ATOM 153 CA ARG A 10 6.969 -12.861 -3.577 1.00 0.00 C ATOM 154 C ARG A 10 7.924 -13.954 -4.047 1.00 0.00 C ATOM 155 O ARG A 10 7.497 -15.044 -4.430 1.00 0.00 O ATOM 156 CB ARG A 10 6.540 -11.998 -4.765 1.00 0.00 C ATOM 157 CG ARG A 10 5.048 -12.053 -5.050 1.00 0.00 C ATOM 158 CD ARG A 10 4.237 -11.518 -3.880 1.00 0.00 C ATOM 159 NE ARG A 10 2.827 -11.884 -3.979 1.00 0.00 N ATOM 160 CZ ARG A 10 2.367 -13.108 -3.746 1.00 0.00 C ATOM 161 NH1 ARG A 10 3.202 -14.079 -3.402 1.00 0.00 N ATOM 162 NH2 ARG A 10 1.070 -13.364 -3.856 1.00 0.00 N ATOM 0 H ARG A 10 7.793 -11.079 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 10 6.088 -13.334 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.827 -10.964 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.083 -12.321 -5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.826 -11.471 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.754 -13.082 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.647 -11.905 -2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.328 -10.432 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 10 2.158 -11.160 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.200 -13.887 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.846 -15.018 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.424 -12.620 -4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.719 -14.305 -3.677 1.00 0.00 H new ATOM 176 N PHE A 11 9.218 -13.655 -4.017 1.00 0.00 N ATOM 177 CA PHE A 11 10.234 -14.611 -4.442 1.00 0.00 C ATOM 178 C PHE A 11 10.868 -15.302 -3.238 1.00 0.00 C ATOM 179 O PHE A 11 11.762 -16.135 -3.386 1.00 0.00 O ATOM 180 CB PHE A 11 11.314 -13.907 -5.267 1.00 0.00 C ATOM 181 CG PHE A 11 10.842 -13.472 -6.625 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.311 -14.391 -7.515 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.930 -12.144 -7.011 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.877 -13.993 -8.766 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.497 -11.741 -8.260 1.00 0.00 C ATOM 186 CZ PHE A 11 9.969 -12.667 -9.138 1.00 0.00 C ATOM 0 H PHE A 11 9.588 -12.758 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 11 9.750 -15.367 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.669 -13.035 -4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.165 -14.578 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.235 -15.430 -7.229 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.342 -11.416 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.466 -14.719 -9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.571 -10.703 -8.549 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.629 -12.354 -10.114 1.00 0.00 H new ATOM 196 N ASP A 12 10.399 -14.949 -2.046 1.00 0.00 N ATOM 197 CA ASP A 12 10.918 -15.534 -0.816 1.00 0.00 C ATOM 198 C ASP A 12 9.878 -16.440 -0.164 1.00 0.00 C ATOM 199 O ASP A 12 9.751 -16.478 1.060 1.00 0.00 O ATOM 200 CB ASP A 12 11.338 -14.434 0.160 1.00 0.00 C ATOM 201 CG ASP A 12 12.100 -14.978 1.353 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.765 -16.024 1.204 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.030 -14.358 2.435 1.00 0.00 O ATOM 0 H ASP A 12 9.660 -14.260 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 12 11.790 -16.136 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.959 -13.706 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.452 -13.905 0.509 1.00 0.00 H new ATOM 208 N THR A 13 9.135 -17.169 -0.991 1.00 0.00 N ATOM 209 CA THR A 13 8.104 -18.073 -0.495 1.00 0.00 C ATOM 210 C THR A 13 8.721 -19.316 0.137 1.00 0.00 C ATOM 211 O THR A 13 8.195 -19.854 1.110 1.00 0.00 O ATOM 212 CB THR A 13 7.148 -18.506 -1.623 1.00 0.00 C ATOM 213 OG1 THR A 13 7.891 -18.793 -2.813 1.00 0.00 O ATOM 214 CG2 THR A 13 6.122 -17.420 -1.909 1.00 0.00 C ATOM 0 H THR A 13 9.228 -17.151 -2.007 1.00 0.00 H new ATOM 0 HA THR A 13 7.540 -17.526 0.260 1.00 0.00 H new ATOM 0 HB THR A 13 6.622 -19.404 -1.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.276 -19.069 -3.524 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.458 -17.748 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.538 -17.225 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.634 -16.507 -2.214 1.00 0.00 H new ATOM 222 N ASN A 14 9.840 -19.765 -0.422 1.00 0.00 N ATOM 223 CA ASN A 14 10.528 -20.945 0.089 1.00 0.00 C ATOM 224 C ASN A 14 10.746 -20.839 1.595 1.00 0.00 C ATOM 225 O ASN A 14 10.768 -21.846 2.302 1.00 0.00 O ATOM 226 CB ASN A 14 11.872 -21.124 -0.620 1.00 0.00 C ATOM 227 CG ASN A 14 11.747 -21.923 -1.903 1.00 0.00 C ATOM 228 OD1 ASN A 14 10.696 -21.930 -2.543 1.00 0.00 O ATOM 229 ND2 ASN A 14 12.823 -22.602 -2.284 1.00 0.00 N ATOM 0 H ASN A 14 10.289 -19.330 -1.228 1.00 0.00 H new ATOM 0 HA ASN A 14 9.901 -21.814 -0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.294 -20.145 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.570 -21.626 0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.799 -23.158 -3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.674 -22.567 -1.722 1.00 0.00 H new ATOM 236 N GLY A 15 10.905 -19.611 2.080 1.00 0.00 N ATOM 237 CA GLY A 15 11.118 -19.395 3.499 1.00 0.00 C ATOM 238 C GLY A 15 12.587 -19.298 3.857 1.00 0.00 C ATOM 239 O GLY A 15 12.940 -18.828 4.938 1.00 0.00 O ATOM 0 H GLY A 15 10.890 -18.762 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.612 -18.479 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.664 -20.212 4.060 1.00 0.00 H new ATOM 243 N ASP A 16 13.446 -19.745 2.947 1.00 0.00 N ATOM 244 CA ASP A 16 14.887 -19.707 3.172 1.00 0.00 C ATOM 245 C ASP A 16 15.350 -18.288 3.486 1.00 0.00 C ATOM 246 O ASP A 16 16.379 -18.088 4.131 1.00 0.00 O ATOM 247 CB ASP A 16 15.630 -20.240 1.947 1.00 0.00 C ATOM 248 CG ASP A 16 15.838 -21.741 2.003 1.00 0.00 C ATOM 249 OD1 ASP A 16 15.154 -22.404 2.810 1.00 0.00 O ATOM 250 OD2 ASP A 16 16.685 -22.252 1.241 1.00 0.00 O ATOM 0 H ASP A 16 13.170 -20.138 2.047 1.00 0.00 H new ATOM 0 HA ASP A 16 15.113 -20.342 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.069 -19.987 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.598 -19.745 1.869 1.00 0.00 H new ATOM 255 N GLY A 17 14.584 -17.304 3.024 1.00 0.00 N ATOM 256 CA GLY A 17 14.933 -15.916 3.265 1.00 0.00 C ATOM 257 C GLY A 17 15.453 -15.225 2.020 1.00 0.00 C ATOM 258 O GLY A 17 15.142 -14.060 1.772 1.00 0.00 O ATOM 0 H GLY A 17 13.728 -17.443 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.057 -15.383 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.690 -15.865 4.048 1.00 0.00 H new ATOM 262 N LYS A 18 16.248 -15.944 1.234 1.00 0.00 N ATOM 263 CA LYS A 18 16.814 -15.393 0.008 1.00 0.00 C ATOM 264 C LYS A 18 15.915 -15.693 -1.187 1.00 0.00 C ATOM 265 O LYS A 18 14.985 -16.495 -1.091 1.00 0.00 O ATOM 266 CB LYS A 18 18.212 -15.966 -0.235 1.00 0.00 C ATOM 267 CG LYS A 18 19.023 -16.150 1.036 1.00 0.00 C ATOM 268 CD LYS A 18 20.485 -16.428 0.728 1.00 0.00 C ATOM 269 CE LYS A 18 21.385 -16.017 1.883 1.00 0.00 C ATOM 270 NZ LYS A 18 22.757 -16.580 1.744 1.00 0.00 N ATOM 0 H LYS A 18 16.515 -16.910 1.424 1.00 0.00 H new ATOM 0 HA LYS A 18 16.887 -14.312 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.119 -16.928 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.755 -15.304 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 18 18.944 -15.254 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.609 -16.974 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.619 -17.490 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.777 -15.888 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.442 -14.929 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.947 -16.354 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.340 -16.277 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.706 -17.619 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.185 -16.238 0.860 1.00 0.00 H new ATOM 284 N ILE A 19 16.199 -15.045 -2.312 1.00 0.00 N ATOM 285 CA ILE A 19 15.417 -15.244 -3.526 1.00 0.00 C ATOM 286 C ILE A 19 16.316 -15.594 -4.707 1.00 0.00 C ATOM 287 O ILE A 19 17.338 -14.946 -4.936 1.00 0.00 O ATOM 288 CB ILE A 19 14.592 -13.992 -3.877 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.518 -12.807 -4.159 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.627 -13.660 -2.748 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.779 -11.530 -4.495 1.00 0.00 C ATOM 0 H ILE A 19 16.965 -14.378 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 19 14.737 -16.073 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 19 14.012 -14.198 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.149 -12.634 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.180 -13.062 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.051 -12.773 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.949 -14.499 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.189 -13.470 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.498 -10.732 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.169 -11.686 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.137 -11.250 -3.660 1.00 0.00 H new ATOM 303 N SER A 20 15.928 -16.621 -5.456 1.00 0.00 N ATOM 304 CA SER A 20 16.700 -17.059 -6.613 1.00 0.00 C ATOM 305 C SER A 20 16.656 -16.012 -7.722 1.00 0.00 C ATOM 306 O SER A 20 15.701 -15.950 -8.497 1.00 0.00 O ATOM 307 CB SER A 20 16.164 -18.393 -7.135 1.00 0.00 C ATOM 308 OG SER A 20 15.439 -19.080 -6.130 1.00 0.00 O ATOM 0 H SER A 20 15.083 -17.166 -5.282 1.00 0.00 H new ATOM 0 HA SER A 20 17.736 -17.189 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.520 -18.217 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.993 -19.012 -7.478 1.00 0.00 H new ATOM 0 HG SER A 20 15.978 -19.128 -5.313 1.00 0.00 H new ATOM 314 N LEU A 21 17.698 -15.190 -7.792 1.00 0.00 N ATOM 315 CA LEU A 21 17.781 -14.145 -8.806 1.00 0.00 C ATOM 316 C LEU A 21 17.481 -14.706 -10.193 1.00 0.00 C ATOM 317 O LEU A 21 16.743 -14.101 -10.971 1.00 0.00 O ATOM 318 CB LEU A 21 19.170 -13.503 -8.793 1.00 0.00 C ATOM 319 CG LEU A 21 20.289 -14.338 -8.168 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.570 -14.202 -8.976 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.520 -13.922 -6.723 1.00 0.00 C ATOM 0 H LEU A 21 18.497 -15.227 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 21 17.034 -13.386 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.449 -13.268 -9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.106 -12.557 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 21 19.986 -15.385 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.355 -14.803 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.396 -14.549 -9.995 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.878 -13.157 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.319 -14.526 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.802 -12.870 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.605 -14.072 -6.150 1.00 0.00 H new ATOM 333 N SER A 22 18.056 -15.866 -10.493 1.00 0.00 N ATOM 334 CA SER A 22 17.851 -16.508 -11.787 1.00 0.00 C ATOM 335 C SER A 22 16.368 -16.558 -12.139 1.00 0.00 C ATOM 336 O SER A 22 15.997 -16.522 -13.312 1.00 0.00 O ATOM 337 CB SER A 22 18.432 -17.923 -11.775 1.00 0.00 C ATOM 338 OG SER A 22 18.549 -18.437 -13.090 1.00 0.00 O ATOM 0 H SER A 22 18.667 -16.380 -9.859 1.00 0.00 H new ATOM 0 HA SER A 22 18.367 -15.917 -12.544 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.411 -17.913 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.793 -18.577 -11.181 1.00 0.00 H new ATOM 0 HG SER A 22 18.924 -19.342 -13.055 1.00 0.00 H new ATOM 344 N GLU A 23 15.525 -16.641 -11.115 1.00 0.00 N ATOM 345 CA GLU A 23 14.082 -16.697 -11.316 1.00 0.00 C ATOM 346 C GLU A 23 13.477 -15.296 -11.316 1.00 0.00 C ATOM 347 O GLU A 23 12.468 -15.043 -11.975 1.00 0.00 O ATOM 348 CB GLU A 23 13.425 -17.548 -10.227 1.00 0.00 C ATOM 349 CG GLU A 23 13.604 -19.043 -10.432 1.00 0.00 C ATOM 350 CD GLU A 23 12.756 -19.868 -9.484 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.947 -19.273 -8.741 1.00 0.00 O ATOM 352 OE2 GLU A 23 12.902 -21.108 -9.484 1.00 0.00 O ATOM 0 H GLU A 23 15.816 -16.671 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 23 13.895 -17.155 -12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.842 -17.270 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.360 -17.320 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.346 -19.298 -11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.654 -19.302 -10.293 1.00 0.00 H new ATOM 359 N LEU A 24 14.101 -14.390 -10.572 1.00 0.00 N ATOM 360 CA LEU A 24 13.626 -13.013 -10.484 1.00 0.00 C ATOM 361 C LEU A 24 13.885 -12.263 -11.787 1.00 0.00 C ATOM 362 O LEU A 24 12.967 -11.702 -12.386 1.00 0.00 O ATOM 363 CB LEU A 24 14.308 -12.290 -9.322 1.00 0.00 C ATOM 364 CG LEU A 24 13.795 -10.884 -9.012 1.00 0.00 C ATOM 365 CD1 LEU A 24 13.986 -10.558 -7.538 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.500 -9.854 -9.883 1.00 0.00 C ATOM 0 H LEU A 24 14.937 -14.584 -10.021 1.00 0.00 H new ATOM 0 HA LEU A 24 12.551 -13.037 -10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.198 -12.901 -8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.375 -12.227 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 24 12.729 -10.851 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.615 -9.553 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.434 -11.277 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.046 -10.610 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.122 -8.859 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.573 -9.889 -9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.311 -10.075 -10.933 1.00 0.00 H new ATOM 378 N THR A 25 15.141 -12.260 -12.222 1.00 0.00 N ATOM 379 CA THR A 25 15.521 -11.581 -13.454 1.00 0.00 C ATOM 380 C THR A 25 14.651 -12.033 -14.622 1.00 0.00 C ATOM 381 O THR A 25 14.439 -11.284 -15.576 1.00 0.00 O ATOM 382 CB THR A 25 17.000 -11.834 -13.802 1.00 0.00 C ATOM 383 OG1 THR A 25 17.378 -11.048 -14.937 1.00 0.00 O ATOM 384 CG2 THR A 25 17.242 -13.307 -14.097 1.00 0.00 C ATOM 0 H THR A 25 15.912 -12.720 -11.739 1.00 0.00 H new ATOM 0 HA THR A 25 15.373 -10.514 -13.286 1.00 0.00 H new ATOM 0 HB THR A 25 17.606 -11.546 -12.943 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.969 -10.160 -14.871 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.293 -13.461 -14.340 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.981 -13.901 -13.221 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.625 -13.615 -14.941 1.00 0.00 H new ATOM 392 N ASP A 26 14.151 -13.260 -14.540 1.00 0.00 N ATOM 393 CA ASP A 26 13.302 -13.811 -15.590 1.00 0.00 C ATOM 394 C ASP A 26 11.827 -13.580 -15.274 1.00 0.00 C ATOM 395 O ASP A 26 10.983 -13.577 -16.170 1.00 0.00 O ATOM 396 CB ASP A 26 13.571 -15.307 -15.760 1.00 0.00 C ATOM 397 CG ASP A 26 13.195 -15.810 -17.141 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.016 -16.169 -17.340 1.00 0.00 O ATOM 399 OD2 ASP A 26 14.080 -15.844 -18.021 1.00 0.00 O ATOM 0 H ASP A 26 14.319 -13.893 -13.758 1.00 0.00 H new ATOM 0 HA ASP A 26 13.540 -13.298 -16.522 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.627 -15.506 -15.579 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.009 -15.862 -15.009 1.00 0.00 H new ATOM 404 N ALA A 27 11.525 -13.386 -13.995 1.00 0.00 N ATOM 405 CA ALA A 27 10.153 -13.153 -13.561 1.00 0.00 C ATOM 406 C ALA A 27 9.848 -11.661 -13.481 1.00 0.00 C ATOM 407 O ALA A 27 8.914 -11.243 -12.797 1.00 0.00 O ATOM 408 CB ALA A 27 9.905 -13.817 -12.214 1.00 0.00 C ATOM 0 H ALA A 27 12.212 -13.386 -13.241 1.00 0.00 H new ATOM 0 HA ALA A 27 9.485 -13.595 -14.300 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.877 -13.635 -11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.073 -14.890 -12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.588 -13.402 -11.473 1.00 0.00 H new ATOM 414 N LEU A 28 10.643 -10.862 -14.185 1.00 0.00 N ATOM 415 CA LEU A 28 10.458 -9.415 -14.193 1.00 0.00 C ATOM 416 C LEU A 28 9.748 -8.964 -15.466 1.00 0.00 C ATOM 417 O LEU A 28 8.771 -8.216 -15.412 1.00 0.00 O ATOM 418 CB LEU A 28 11.809 -8.708 -14.072 1.00 0.00 C ATOM 419 CG LEU A 28 12.290 -8.419 -12.650 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.809 -8.468 -12.579 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.776 -7.066 -12.178 1.00 0.00 C ATOM 0 H LEU A 28 11.421 -11.191 -14.757 1.00 0.00 H new ATOM 0 HA LEU A 28 9.837 -9.148 -13.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.562 -9.318 -14.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.752 -7.764 -14.614 1.00 0.00 H new ATOM 0 HG LEU A 28 11.891 -9.188 -11.989 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.132 -8.260 -11.559 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.155 -9.458 -12.874 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.229 -7.721 -13.252 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.128 -6.877 -11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.145 -6.285 -12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.686 -7.067 -12.190 1.00 0.00 H new ATOM 433 N ARG A 29 10.244 -9.425 -16.609 1.00 0.00 N ATOM 434 CA ARG A 29 9.657 -9.070 -17.896 1.00 0.00 C ATOM 435 C ARG A 29 8.161 -9.370 -17.911 1.00 0.00 C ATOM 436 O ARG A 29 7.358 -8.558 -18.372 1.00 0.00 O ATOM 437 CB ARG A 29 10.352 -9.831 -19.026 1.00 0.00 C ATOM 438 CG ARG A 29 10.443 -11.329 -18.785 1.00 0.00 C ATOM 439 CD ARG A 29 11.213 -12.026 -19.896 1.00 0.00 C ATOM 440 NE ARG A 29 10.379 -12.974 -20.629 1.00 0.00 N ATOM 441 CZ ARG A 29 10.868 -13.946 -21.392 1.00 0.00 C ATOM 442 NH1 ARG A 29 12.178 -14.096 -21.521 1.00 0.00 N ATOM 443 NH2 ARG A 29 10.044 -14.769 -22.028 1.00 0.00 N ATOM 0 H ARG A 29 11.051 -10.045 -16.671 1.00 0.00 H new ATOM 0 HA ARG A 29 9.798 -8.000 -18.049 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.814 -9.653 -19.957 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.357 -9.431 -19.158 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.932 -11.516 -17.829 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.440 -11.749 -18.717 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.607 -11.280 -20.587 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.069 -12.550 -19.470 1.00 0.00 H new ATOM 0 HE ARG A 29 9.366 -12.885 -20.551 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.814 -13.465 -21.034 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.551 -14.843 -22.107 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.035 -14.656 -21.931 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.420 -15.515 -22.614 1.00 0.00 H new ATOM 457 N THR A 30 7.792 -10.543 -17.405 1.00 0.00 N ATOM 458 CA THR A 30 6.394 -10.952 -17.363 1.00 0.00 C ATOM 459 C THR A 30 5.575 -10.017 -16.481 1.00 0.00 C ATOM 460 O THR A 30 4.345 -10.005 -16.545 1.00 0.00 O ATOM 461 CB THR A 30 6.246 -12.393 -16.840 1.00 0.00 C ATOM 462 OG1 THR A 30 4.890 -12.830 -16.984 1.00 0.00 O ATOM 463 CG2 THR A 30 6.661 -12.485 -15.379 1.00 0.00 C ATOM 0 H THR A 30 8.443 -11.227 -17.018 1.00 0.00 H new ATOM 0 HA THR A 30 6.019 -10.904 -18.385 1.00 0.00 H new ATOM 0 HB THR A 30 6.900 -13.037 -17.428 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.285 -12.073 -16.840 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.548 -13.512 -15.033 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.703 -12.180 -15.277 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.030 -11.828 -14.780 1.00 0.00 H new ATOM 471 N LEU A 31 6.263 -9.234 -15.657 1.00 0.00 N ATOM 472 CA LEU A 31 5.598 -8.293 -14.761 1.00 0.00 C ATOM 473 C LEU A 31 5.823 -6.855 -15.218 1.00 0.00 C ATOM 474 O LEU A 31 5.774 -5.924 -14.416 1.00 0.00 O ATOM 475 CB LEU A 31 6.110 -8.472 -13.331 1.00 0.00 C ATOM 476 CG LEU A 31 6.176 -9.911 -12.817 1.00 0.00 C ATOM 477 CD1 LEU A 31 6.746 -9.948 -11.407 1.00 0.00 C ATOM 478 CD2 LEU A 31 4.798 -10.555 -12.855 1.00 0.00 C ATOM 0 H LEU A 31 7.281 -9.232 -15.590 1.00 0.00 H new ATOM 0 HA LEU A 31 4.528 -8.499 -14.786 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.108 -8.038 -13.267 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.469 -7.897 -12.662 1.00 0.00 H new ATOM 0 HG LEU A 31 6.838 -10.480 -13.470 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.786 -10.980 -11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.751 -9.527 -11.410 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.110 -9.364 -10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.864 -11.578 -12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.113 -9.986 -12.226 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.428 -10.562 -13.880 1.00 0.00 H new ATOM 490 N GLY A 32 6.067 -6.682 -16.513 1.00 0.00 N ATOM 491 CA GLY A 32 6.293 -5.355 -17.055 1.00 0.00 C ATOM 492 C GLY A 32 7.482 -4.664 -16.418 1.00 0.00 C ATOM 493 O GLY A 32 7.319 -3.761 -15.598 1.00 0.00 O ATOM 0 H GLY A 32 6.112 -7.437 -17.197 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.452 -5.427 -18.131 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.400 -4.748 -16.905 1.00 0.00 H new ATOM 497 N SER A 33 8.684 -5.090 -16.795 1.00 0.00 N ATOM 498 CA SER A 33 9.906 -4.510 -16.251 1.00 0.00 C ATOM 499 C SER A 33 10.719 -3.829 -17.348 1.00 0.00 C ATOM 500 O SER A 33 10.369 -3.891 -18.527 1.00 0.00 O ATOM 501 CB SER A 33 10.750 -5.590 -15.572 1.00 0.00 C ATOM 502 OG SER A 33 10.056 -6.167 -14.479 1.00 0.00 O ATOM 0 H SER A 33 8.837 -5.835 -17.475 1.00 0.00 H new ATOM 0 HA SER A 33 9.625 -3.760 -15.512 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.005 -6.365 -16.295 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.688 -5.158 -15.224 1.00 0.00 H new ATOM 0 HG SER A 33 9.295 -6.686 -14.812 1.00 0.00 H new ATOM 508 N THR A 34 11.808 -3.178 -16.951 1.00 0.00 N ATOM 509 CA THR A 34 12.671 -2.484 -17.898 1.00 0.00 C ATOM 510 C THR A 34 13.029 -3.382 -19.077 1.00 0.00 C ATOM 511 O THR A 34 12.601 -3.141 -20.206 1.00 0.00 O ATOM 512 CB THR A 34 13.969 -1.999 -17.225 1.00 0.00 C ATOM 513 OG1 THR A 34 14.666 -3.109 -16.648 1.00 0.00 O ATOM 514 CG2 THR A 34 13.667 -0.968 -16.148 1.00 0.00 C ATOM 0 H THR A 34 12.113 -3.117 -15.980 1.00 0.00 H new ATOM 0 HA THR A 34 12.113 -1.620 -18.259 1.00 0.00 H new ATOM 0 HB THR A 34 14.595 -1.534 -17.986 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.491 -2.793 -16.224 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.599 -0.640 -15.687 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.163 -0.112 -16.595 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.023 -1.413 -15.389 1.00 0.00 H new ATOM 522 N SER A 35 13.814 -4.420 -18.807 1.00 0.00 N ATOM 523 CA SER A 35 14.232 -5.353 -19.847 1.00 0.00 C ATOM 524 C SER A 35 14.382 -6.763 -19.283 1.00 0.00 C ATOM 525 O SER A 35 13.954 -7.738 -19.899 1.00 0.00 O ATOM 526 CB SER A 35 15.553 -4.897 -20.470 1.00 0.00 C ATOM 527 OG SER A 35 15.328 -3.985 -21.531 1.00 0.00 O ATOM 0 H SER A 35 14.173 -4.636 -17.877 1.00 0.00 H new ATOM 0 HA SER A 35 13.462 -5.369 -20.618 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.175 -4.427 -19.708 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.102 -5.763 -20.841 1.00 0.00 H new ATOM 0 HG SER A 35 14.482 -3.513 -21.383 1.00 0.00 H new ATOM 533 N ALA A 36 14.994 -6.861 -18.107 1.00 0.00 N ATOM 534 CA ALA A 36 15.199 -8.150 -17.458 1.00 0.00 C ATOM 535 C ALA A 36 16.291 -8.950 -18.161 1.00 0.00 C ATOM 536 O ALA A 36 16.618 -10.064 -17.751 1.00 0.00 O ATOM 537 CB ALA A 36 13.899 -8.939 -17.430 1.00 0.00 C ATOM 0 H ALA A 36 15.356 -6.063 -17.585 1.00 0.00 H new ATOM 0 HA ALA A 36 15.522 -7.967 -16.433 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.067 -9.899 -16.943 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.145 -8.378 -16.877 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.552 -9.105 -18.450 1.00 0.00 H new ATOM 543 N ASP A 37 16.850 -8.376 -19.220 1.00 0.00 N ATOM 544 CA ASP A 37 17.906 -9.036 -19.979 1.00 0.00 C ATOM 545 C ASP A 37 19.252 -8.358 -19.740 1.00 0.00 C ATOM 546 O ASP A 37 20.287 -8.833 -20.207 1.00 0.00 O ATOM 547 CB ASP A 37 17.574 -9.024 -21.472 1.00 0.00 C ATOM 548 CG ASP A 37 16.741 -10.221 -21.889 1.00 0.00 C ATOM 549 OD1 ASP A 37 17.332 -11.276 -22.200 1.00 0.00 O ATOM 550 OD2 ASP A 37 15.498 -10.102 -21.902 1.00 0.00 O ATOM 0 H ASP A 37 16.590 -7.455 -19.573 1.00 0.00 H new ATOM 0 HA ASP A 37 17.973 -10.069 -19.638 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.035 -8.108 -21.714 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.500 -9.011 -22.047 1.00 0.00 H new ATOM 555 N GLU A 38 19.228 -7.247 -19.011 1.00 0.00 N ATOM 556 CA GLU A 38 20.447 -6.504 -18.712 1.00 0.00 C ATOM 557 C GLU A 38 21.148 -7.079 -17.485 1.00 0.00 C ATOM 558 O GLU A 38 22.317 -7.459 -17.544 1.00 0.00 O ATOM 559 CB GLU A 38 20.127 -5.025 -18.485 1.00 0.00 C ATOM 560 CG GLU A 38 19.310 -4.400 -19.603 1.00 0.00 C ATOM 561 CD GLU A 38 19.998 -4.497 -20.952 1.00 0.00 C ATOM 562 OE1 GLU A 38 21.173 -4.085 -21.049 1.00 0.00 O ATOM 563 OE2 GLU A 38 19.361 -4.985 -21.909 1.00 0.00 O ATOM 0 H GLU A 38 18.379 -6.842 -18.617 1.00 0.00 H new ATOM 0 HA GLU A 38 21.117 -6.596 -19.567 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.583 -4.920 -17.546 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.060 -4.473 -18.376 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.339 -4.893 -19.658 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.123 -3.352 -19.369 1.00 0.00 H new ATOM 570 N VAL A 39 20.424 -7.138 -16.371 1.00 0.00 N ATOM 571 CA VAL A 39 20.974 -7.667 -15.129 1.00 0.00 C ATOM 572 C VAL A 39 21.030 -9.190 -15.156 1.00 0.00 C ATOM 573 O VAL A 39 21.732 -9.809 -14.357 1.00 0.00 O ATOM 574 CB VAL A 39 20.146 -7.216 -13.911 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.674 -7.539 -14.118 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.669 -7.868 -12.640 1.00 0.00 C ATOM 0 H VAL A 39 19.455 -6.826 -16.304 1.00 0.00 H new ATOM 0 HA VAL A 39 21.986 -7.271 -15.038 1.00 0.00 H new ATOM 0 HB VAL A 39 20.246 -6.136 -13.805 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.104 -7.213 -13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.309 -7.021 -15.005 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.552 -8.614 -14.250 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.072 -7.538 -11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.601 -8.952 -12.732 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.709 -7.582 -12.486 1.00 0.00 H new ATOM 586 N GLN A 40 20.286 -9.787 -16.082 1.00 0.00 N ATOM 587 CA GLN A 40 20.251 -11.239 -16.213 1.00 0.00 C ATOM 588 C GLN A 40 21.662 -11.813 -16.286 1.00 0.00 C ATOM 589 O GLN A 40 21.899 -12.955 -15.892 1.00 0.00 O ATOM 590 CB GLN A 40 19.460 -11.640 -17.460 1.00 0.00 C ATOM 591 CG GLN A 40 18.670 -12.928 -17.290 1.00 0.00 C ATOM 592 CD GLN A 40 18.924 -13.920 -18.408 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.289 -13.861 -19.462 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.855 -14.839 -18.184 1.00 0.00 N ATOM 0 H GLN A 40 19.700 -9.288 -16.752 1.00 0.00 H new ATOM 0 HA GLN A 40 19.758 -11.647 -15.331 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.774 -10.834 -17.720 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.149 -11.754 -18.297 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.931 -13.387 -16.336 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.606 -12.695 -17.251 1.00 0.00 H new ATOM 0 HE21 GLN A 40 20.357 -14.851 -17.296 1.00 0.00 H new ATOM 0 HE22 GLN A 40 20.069 -15.533 -18.900 1.00 0.00 H new ATOM 603 N ARG A 41 22.596 -11.014 -16.791 1.00 0.00 N ATOM 604 CA ARG A 41 23.984 -11.443 -16.916 1.00 0.00 C ATOM 605 C ARG A 41 24.911 -10.523 -16.128 1.00 0.00 C ATOM 606 O ARG A 41 26.124 -10.525 -16.333 1.00 0.00 O ATOM 607 CB ARG A 41 24.402 -11.467 -18.388 1.00 0.00 C ATOM 608 CG ARG A 41 24.411 -10.095 -19.041 1.00 0.00 C ATOM 609 CD ARG A 41 25.609 -9.925 -19.962 1.00 0.00 C ATOM 610 NE ARG A 41 25.268 -10.192 -21.357 1.00 0.00 N ATOM 611 CZ ARG A 41 24.562 -9.359 -22.114 1.00 0.00 C ATOM 612 NH1 ARG A 41 24.125 -8.212 -21.613 1.00 0.00 N ATOM 613 NH2 ARG A 41 24.293 -9.672 -23.375 1.00 0.00 N ATOM 0 H ARG A 41 22.417 -10.065 -17.120 1.00 0.00 H new ATOM 0 HA ARG A 41 24.065 -12.450 -16.506 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.397 -11.904 -18.467 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.723 -12.118 -18.939 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.491 -9.955 -19.609 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.430 -9.324 -18.271 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.995 -8.910 -19.871 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.406 -10.599 -19.648 1.00 0.00 H new ATOM 0 HE ARG A 41 25.590 -11.066 -21.773 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.331 -7.967 -20.644 1.00 0.00 H new ATOM 0 HH12 ARG A 41 23.583 -7.574 -22.196 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.628 -10.553 -23.764 1.00 0.00 H new ATOM 0 HH22 ARG A 41 23.751 -9.032 -23.955 1.00 0.00 H new ATOM 627 N MET A 42 24.330 -9.738 -15.227 1.00 0.00 N ATOM 628 CA MET A 42 25.105 -8.813 -14.407 1.00 0.00 C ATOM 629 C MET A 42 24.612 -8.822 -12.964 1.00 0.00 C ATOM 630 O MET A 42 24.903 -7.907 -12.194 1.00 0.00 O ATOM 631 CB MET A 42 25.020 -7.397 -14.979 1.00 0.00 C ATOM 632 CG MET A 42 25.786 -7.220 -16.280 1.00 0.00 C ATOM 633 SD MET A 42 26.535 -5.587 -16.429 1.00 0.00 S ATOM 634 CE MET A 42 26.965 -5.568 -18.167 1.00 0.00 C ATOM 0 H MET A 42 23.326 -9.723 -15.046 1.00 0.00 H new ATOM 0 HA MET A 42 26.145 -9.140 -14.419 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.973 -7.144 -15.146 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.405 -6.692 -14.242 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.565 -7.980 -16.345 1.00 0.00 H new ATOM 0 HG3 MET A 42 25.111 -7.384 -17.120 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.440 -4.618 -18.414 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.655 -6.385 -18.380 1.00 0.00 H new ATOM 0 HE3 MET A 42 26.063 -5.690 -18.766 1.00 0.00 H new ATOM 644 N MET A 43 23.865 -9.860 -12.605 1.00 0.00 N ATOM 645 CA MET A 43 23.332 -9.987 -11.253 1.00 0.00 C ATOM 646 C MET A 43 24.388 -10.542 -10.302 1.00 0.00 C ATOM 647 O MET A 43 24.305 -10.354 -9.089 1.00 0.00 O ATOM 648 CB MET A 43 22.100 -10.893 -11.250 1.00 0.00 C ATOM 649 CG MET A 43 21.351 -10.897 -9.927 1.00 0.00 C ATOM 650 SD MET A 43 20.509 -9.336 -9.602 1.00 0.00 S ATOM 651 CE MET A 43 19.681 -9.713 -8.059 1.00 0.00 C ATOM 0 H MET A 43 23.615 -10.626 -13.231 1.00 0.00 H new ATOM 0 HA MET A 43 23.044 -8.994 -10.908 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.422 -10.573 -12.041 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.408 -11.911 -11.487 1.00 0.00 H new ATOM 0 HG2 MET A 43 20.620 -11.706 -9.930 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.052 -11.103 -9.118 1.00 0.00 H new ATOM 0 HE1 MET A 43 19.812 -8.884 -7.364 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.618 -9.867 -8.245 1.00 0.00 H new ATOM 0 HE3 MET A 43 20.109 -10.618 -7.628 1.00 0.00 H new ATOM 661 N ALA A 44 25.380 -11.227 -10.862 1.00 0.00 N ATOM 662 CA ALA A 44 26.453 -11.807 -10.064 1.00 0.00 C ATOM 663 C ALA A 44 27.635 -10.850 -9.954 1.00 0.00 C ATOM 664 O ALA A 44 28.602 -11.124 -9.244 1.00 0.00 O ATOM 665 CB ALA A 44 26.899 -13.132 -10.664 1.00 0.00 C ATOM 0 H ALA A 44 25.463 -11.394 -11.865 1.00 0.00 H new ATOM 0 HA ALA A 44 26.069 -11.986 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.701 -13.554 -10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.057 -13.824 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.259 -12.969 -11.680 1.00 0.00 H new ATOM 671 N GLU A 45 27.550 -9.727 -10.661 1.00 0.00 N ATOM 672 CA GLU A 45 28.614 -8.731 -10.642 1.00 0.00 C ATOM 673 C GLU A 45 28.175 -7.480 -9.886 1.00 0.00 C ATOM 674 O GLU A 45 28.832 -6.440 -9.950 1.00 0.00 O ATOM 675 CB GLU A 45 29.022 -8.361 -12.069 1.00 0.00 C ATOM 676 CG GLU A 45 28.015 -7.471 -12.779 1.00 0.00 C ATOM 677 CD GLU A 45 28.489 -7.032 -14.151 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.543 -7.886 -15.060 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.806 -5.835 -14.314 1.00 0.00 O ATOM 0 H GLU A 45 26.756 -9.485 -11.253 1.00 0.00 H new ATOM 0 HA GLU A 45 29.472 -9.163 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.987 -7.854 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.158 -9.275 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.070 -8.006 -12.879 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.820 -6.590 -12.167 1.00 0.00 H new ATOM 686 N ILE A 46 27.060 -7.588 -9.172 1.00 0.00 N ATOM 687 CA ILE A 46 26.533 -6.467 -8.404 1.00 0.00 C ATOM 688 C ILE A 46 26.499 -6.789 -6.914 1.00 0.00 C ATOM 689 O ILE A 46 26.424 -5.890 -6.076 1.00 0.00 O ATOM 690 CB ILE A 46 25.115 -6.084 -8.867 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.255 -7.337 -9.039 1.00 0.00 C ATOM 692 CG2 ILE A 46 25.177 -5.296 -10.167 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.883 -7.219 -8.413 1.00 0.00 C ATOM 0 H ILE A 46 26.504 -8.441 -9.109 1.00 0.00 H new ATOM 0 HA ILE A 46 27.203 -5.624 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 46 24.658 -5.454 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.143 -7.548 -10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.775 -8.188 -8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 46 24.167 -5.033 -10.481 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.758 -4.387 -10.014 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.650 -5.903 -10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.329 -8.144 -8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.986 -7.039 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.344 -6.389 -8.871 1.00 0.00 H new ATOM 705 N ASP A 47 26.557 -8.076 -6.591 1.00 0.00 N ATOM 706 CA ASP A 47 26.536 -8.517 -5.201 1.00 0.00 C ATOM 707 C ASP A 47 26.630 -10.037 -5.112 1.00 0.00 C ATOM 708 O ASP A 47 27.581 -10.580 -4.548 1.00 0.00 O ATOM 709 CB ASP A 47 25.262 -8.031 -4.509 1.00 0.00 C ATOM 710 CG ASP A 47 25.553 -7.236 -3.251 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.297 -7.745 -2.387 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.036 -6.106 -3.130 1.00 0.00 O ATOM 0 H ASP A 47 26.619 -8.832 -7.273 1.00 0.00 H new ATOM 0 HA ASP A 47 27.401 -8.087 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.689 -7.414 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.639 -8.889 -4.257 1.00 0.00 H new ATOM 717 N THR A 48 25.637 -10.721 -5.673 1.00 0.00 N ATOM 718 CA THR A 48 25.606 -12.178 -5.655 1.00 0.00 C ATOM 719 C THR A 48 26.937 -12.761 -6.116 1.00 0.00 C ATOM 720 O THR A 48 27.377 -12.517 -7.240 1.00 0.00 O ATOM 721 CB THR A 48 24.480 -12.727 -6.551 1.00 0.00 C ATOM 722 OG1 THR A 48 23.297 -11.935 -6.392 1.00 0.00 O ATOM 723 CG2 THR A 48 24.175 -14.177 -6.209 1.00 0.00 C ATOM 0 H THR A 48 24.843 -10.288 -6.146 1.00 0.00 H new ATOM 0 HA THR A 48 25.418 -12.478 -4.624 1.00 0.00 H new ATOM 0 HB THR A 48 24.814 -12.677 -7.588 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.784 -11.941 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.377 -14.543 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.069 -14.782 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.860 -14.247 -5.168 1.00 0.00 H new ATOM 731 N ASP A 49 27.573 -13.533 -5.242 1.00 0.00 N ATOM 732 CA ASP A 49 28.854 -14.153 -5.560 1.00 0.00 C ATOM 733 C ASP A 49 28.714 -15.118 -6.733 1.00 0.00 C ATOM 734 O ASP A 49 29.633 -15.273 -7.537 1.00 0.00 O ATOM 735 CB ASP A 49 29.405 -14.892 -4.339 1.00 0.00 C ATOM 736 CG ASP A 49 30.919 -14.964 -4.340 1.00 0.00 C ATOM 737 OD1 ASP A 49 31.522 -14.756 -5.414 1.00 0.00 O ATOM 738 OD2 ASP A 49 31.501 -15.226 -3.267 1.00 0.00 O ATOM 0 H ASP A 49 27.222 -13.744 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 49 29.551 -13.364 -5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.069 -14.390 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 49 28.996 -15.902 -4.314 1.00 0.00 H new ATOM 743 N GLY A 50 27.557 -15.767 -6.824 1.00 0.00 N ATOM 744 CA GLY A 50 27.318 -16.710 -7.902 1.00 0.00 C ATOM 745 C GLY A 50 26.380 -17.829 -7.495 1.00 0.00 C ATOM 746 O GLY A 50 25.861 -18.553 -8.345 1.00 0.00 O ATOM 0 H GLY A 50 26.781 -15.657 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 50 26.898 -16.181 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.268 -17.136 -8.226 1.00 0.00 H new ATOM 750 N ASP A 51 26.162 -17.973 -6.192 1.00 0.00 N ATOM 751 CA ASP A 51 25.281 -19.013 -5.674 1.00 0.00 C ATOM 752 C ASP A 51 23.945 -19.009 -6.411 1.00 0.00 C ATOM 753 O ASP A 51 23.347 -20.060 -6.637 1.00 0.00 O ATOM 754 CB ASP A 51 25.051 -18.816 -4.175 1.00 0.00 C ATOM 755 CG ASP A 51 24.829 -17.362 -3.809 1.00 0.00 C ATOM 756 OD1 ASP A 51 25.826 -16.618 -3.706 1.00 0.00 O ATOM 757 OD2 ASP A 51 23.658 -16.968 -3.626 1.00 0.00 O ATOM 0 H ASP A 51 26.584 -17.382 -5.475 1.00 0.00 H new ATOM 0 HA ASP A 51 25.763 -19.977 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.187 -19.402 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.911 -19.199 -3.625 1.00 0.00 H new ATOM 762 N GLY A 52 23.482 -17.819 -6.782 1.00 0.00 N ATOM 763 CA GLY A 52 22.220 -17.701 -7.488 1.00 0.00 C ATOM 764 C GLY A 52 21.085 -17.275 -6.578 1.00 0.00 C ATOM 765 O GLY A 52 19.915 -17.509 -6.881 1.00 0.00 O ATOM 0 H GLY A 52 23.959 -16.935 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.325 -16.977 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.973 -18.658 -7.948 1.00 0.00 H new ATOM 769 N PHE A 53 21.429 -16.648 -5.458 1.00 0.00 N ATOM 770 CA PHE A 53 20.430 -16.190 -4.500 1.00 0.00 C ATOM 771 C PHE A 53 20.882 -14.903 -3.816 1.00 0.00 C ATOM 772 O PHE A 53 22.026 -14.474 -3.970 1.00 0.00 O ATOM 773 CB PHE A 53 20.166 -17.272 -3.450 1.00 0.00 C ATOM 774 CG PHE A 53 19.642 -18.554 -4.030 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.510 -19.500 -4.552 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.281 -18.814 -4.055 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.031 -20.682 -5.086 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.797 -19.994 -4.587 1.00 0.00 C ATOM 779 CZ PHE A 53 18.673 -20.928 -5.105 1.00 0.00 C ATOM 0 H PHE A 53 22.393 -16.445 -5.192 1.00 0.00 H new ATOM 0 HA PHE A 53 19.507 -15.987 -5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.091 -17.478 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.450 -16.893 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.573 -19.312 -4.542 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.591 -18.086 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.718 -21.412 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.734 -20.186 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.296 -21.849 -5.524 1.00 0.00 H new ATOM 789 N ILE A 54 19.975 -14.290 -3.063 1.00 0.00 N ATOM 790 CA ILE A 54 20.279 -13.053 -2.356 1.00 0.00 C ATOM 791 C ILE A 54 19.385 -12.885 -1.132 1.00 0.00 C ATOM 792 O ILE A 54 18.164 -13.005 -1.221 1.00 0.00 O ATOM 793 CB ILE A 54 20.112 -11.826 -3.271 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.868 -11.981 -4.148 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.352 -11.634 -4.132 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.656 -10.831 -5.107 1.00 0.00 C ATOM 0 H ILE A 54 19.023 -14.630 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 54 21.319 -13.120 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 54 19.986 -10.941 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.948 -12.907 -4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.991 -12.075 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.218 -10.763 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.220 -11.483 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.507 -12.519 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.756 -11.009 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.544 -9.904 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.515 -10.749 -5.773 1.00 0.00 H new ATOM 808 N ASP A 55 20.003 -12.604 0.011 1.00 0.00 N ATOM 809 CA ASP A 55 19.264 -12.417 1.253 1.00 0.00 C ATOM 810 C ASP A 55 18.340 -11.206 1.158 1.00 0.00 C ATOM 811 O ASP A 55 17.122 -11.349 1.052 1.00 0.00 O ATOM 812 CB ASP A 55 20.230 -12.245 2.426 1.00 0.00 C ATOM 813 CG ASP A 55 19.532 -11.782 3.689 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.591 -12.472 4.134 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.927 -10.730 4.234 1.00 0.00 O ATOM 0 H ASP A 55 21.014 -12.501 0.102 1.00 0.00 H new ATOM 0 HA ASP A 55 18.655 -13.305 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.734 -13.192 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.001 -11.523 2.155 1.00 0.00 H new ATOM 820 N PHE A 56 18.928 -10.015 1.200 1.00 0.00 N ATOM 821 CA PHE A 56 18.157 -8.779 1.120 1.00 0.00 C ATOM 822 C PHE A 56 19.026 -7.628 0.621 1.00 0.00 C ATOM 823 O PHE A 56 18.684 -6.956 -0.351 1.00 0.00 O ATOM 824 CB PHE A 56 17.568 -8.432 2.489 1.00 0.00 C ATOM 825 CG PHE A 56 16.759 -7.166 2.490 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.843 -6.914 1.482 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.915 -6.230 3.499 1.00 0.00 C ATOM 828 CE1 PHE A 56 15.098 -5.750 1.480 1.00 0.00 C ATOM 829 CE2 PHE A 56 16.173 -5.064 3.502 1.00 0.00 C ATOM 830 CZ PHE A 56 15.262 -4.824 2.492 1.00 0.00 C ATOM 0 H PHE A 56 19.935 -9.879 1.289 1.00 0.00 H new ATOM 0 HA PHE A 56 17.344 -8.932 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.939 -9.256 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.379 -8.336 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.710 -7.635 0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.624 -6.413 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.388 -5.564 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.305 -4.341 4.293 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.679 -3.915 2.493 1.00 0.00 H new ATOM 840 N ASN A 57 20.150 -7.408 1.294 1.00 0.00 N ATOM 841 CA ASN A 57 21.068 -6.338 0.920 1.00 0.00 C ATOM 842 C ASN A 57 21.478 -6.460 -0.545 1.00 0.00 C ATOM 843 O ASN A 57 21.432 -5.486 -1.295 1.00 0.00 O ATOM 844 CB ASN A 57 22.310 -6.367 1.813 1.00 0.00 C ATOM 845 CG ASN A 57 22.905 -4.988 2.020 1.00 0.00 C ATOM 846 OD1 ASN A 57 24.085 -4.762 1.749 1.00 0.00 O ATOM 847 ND2 ASN A 57 22.090 -4.058 2.503 1.00 0.00 N ATOM 0 H ASN A 57 20.448 -7.956 2.101 1.00 0.00 H new ATOM 0 HA ASN A 57 20.553 -5.387 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.049 -6.796 2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.060 -7.020 1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.435 -3.111 2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.119 -4.290 2.713 1.00 0.00 H new ATOM 854 N GLU A 58 21.877 -7.663 -0.943 1.00 0.00 N ATOM 855 CA GLU A 58 22.296 -7.912 -2.318 1.00 0.00 C ATOM 856 C GLU A 58 21.141 -7.681 -3.288 1.00 0.00 C ATOM 857 O GLU A 58 21.353 -7.377 -4.462 1.00 0.00 O ATOM 858 CB GLU A 58 22.820 -9.342 -2.464 1.00 0.00 C ATOM 859 CG GLU A 58 24.144 -9.580 -1.758 1.00 0.00 C ATOM 860 CD GLU A 58 24.075 -10.716 -0.756 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.032 -10.849 -0.082 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.063 -11.471 -0.645 1.00 0.00 O ATOM 0 H GLU A 58 21.919 -8.480 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 58 23.097 -7.213 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 58 22.077 -10.034 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.936 -9.571 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.912 -9.800 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.448 -8.667 -1.246 1.00 0.00 H new ATOM 869 N PHE A 59 19.918 -7.826 -2.789 1.00 0.00 N ATOM 870 CA PHE A 59 18.729 -7.634 -3.611 1.00 0.00 C ATOM 871 C PHE A 59 18.414 -6.150 -3.775 1.00 0.00 C ATOM 872 O PHE A 59 17.964 -5.714 -4.835 1.00 0.00 O ATOM 873 CB PHE A 59 17.531 -8.355 -2.989 1.00 0.00 C ATOM 874 CG PHE A 59 16.205 -7.802 -3.426 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.593 -8.265 -4.580 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.570 -6.820 -2.683 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.373 -7.757 -4.985 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.350 -6.309 -3.083 1.00 0.00 C ATOM 879 CZ PHE A 59 13.750 -6.779 -4.235 1.00 0.00 C ATOM 0 H PHE A 59 19.724 -8.076 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 59 18.928 -8.056 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.578 -9.412 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.602 -8.291 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.075 -9.031 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 59 16.034 -6.450 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.907 -8.125 -5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.866 -5.543 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.796 -6.382 -4.549 1.00 0.00 H new ATOM 889 N ILE A 60 18.655 -5.381 -2.719 1.00 0.00 N ATOM 890 CA ILE A 60 18.398 -3.946 -2.746 1.00 0.00 C ATOM 891 C ILE A 60 19.510 -3.202 -3.478 1.00 0.00 C ATOM 892 O ILE A 60 19.304 -2.099 -3.983 1.00 0.00 O ATOM 893 CB ILE A 60 18.262 -3.372 -1.323 1.00 0.00 C ATOM 894 CG1 ILE A 60 17.092 -4.034 -0.592 1.00 0.00 C ATOM 895 CG2 ILE A 60 18.075 -1.863 -1.376 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.741 -3.699 -1.186 1.00 0.00 C ATOM 0 H ILE A 60 19.028 -5.727 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 60 17.457 -3.804 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 60 19.178 -3.586 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.229 -5.115 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.107 -3.726 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.980 -1.472 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.937 -1.406 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.173 -1.628 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.959 -4.202 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.583 -2.621 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.707 -4.032 -2.223 1.00 0.00 H new ATOM 908 N SER A 61 20.688 -3.815 -3.532 1.00 0.00 N ATOM 909 CA SER A 61 21.834 -3.210 -4.201 1.00 0.00 C ATOM 910 C SER A 61 21.464 -2.758 -5.611 1.00 0.00 C ATOM 911 O SER A 61 21.709 -1.613 -5.992 1.00 0.00 O ATOM 912 CB SER A 61 22.998 -4.200 -4.260 1.00 0.00 C ATOM 913 OG SER A 61 22.708 -5.277 -5.135 1.00 0.00 O ATOM 0 H SER A 61 20.874 -4.730 -3.121 1.00 0.00 H new ATOM 0 HA SER A 61 22.139 -2.336 -3.626 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.899 -3.687 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.204 -4.584 -3.261 1.00 0.00 H new ATOM 0 HG SER A 61 21.999 -5.831 -4.748 1.00 0.00 H new ATOM 919 N PHE A 62 20.872 -3.666 -6.380 1.00 0.00 N ATOM 920 CA PHE A 62 20.468 -3.362 -7.748 1.00 0.00 C ATOM 921 C PHE A 62 19.018 -2.890 -7.795 1.00 0.00 C ATOM 922 O PHE A 62 18.612 -2.188 -8.722 1.00 0.00 O ATOM 923 CB PHE A 62 20.644 -4.594 -8.639 1.00 0.00 C ATOM 924 CG PHE A 62 19.395 -4.982 -9.377 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.417 -5.743 -8.758 1.00 0.00 C ATOM 926 CD2 PHE A 62 19.201 -4.588 -10.691 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.266 -6.102 -9.435 1.00 0.00 C ATOM 928 CE2 PHE A 62 18.052 -4.944 -11.373 1.00 0.00 C ATOM 929 CZ PHE A 62 17.084 -5.703 -10.745 1.00 0.00 C ATOM 0 H PHE A 62 20.661 -4.618 -6.079 1.00 0.00 H new ATOM 0 HA PHE A 62 21.105 -2.559 -8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.438 -4.401 -9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.969 -5.434 -8.025 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.555 -6.060 -7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.955 -3.996 -11.188 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.510 -6.694 -8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.912 -4.629 -12.396 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.187 -5.984 -11.277 1.00 0.00 H new ATOM 939 N CYS A 63 18.242 -3.280 -6.789 1.00 0.00 N ATOM 940 CA CYS A 63 16.836 -2.897 -6.716 1.00 0.00 C ATOM 941 C CYS A 63 16.668 -1.589 -5.950 1.00 0.00 C ATOM 942 O CYS A 63 16.042 -1.555 -4.892 1.00 0.00 O ATOM 943 CB CYS A 63 16.020 -4.004 -6.046 1.00 0.00 C ATOM 944 SG CYS A 63 14.236 -3.710 -6.049 1.00 0.00 S ATOM 0 H CYS A 63 18.562 -3.860 -6.014 1.00 0.00 H new ATOM 0 HA CYS A 63 16.471 -2.750 -7.732 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.223 -4.948 -6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.357 -4.116 -5.016 1.00 0.00 H new ATOM 0 HG CYS A 63 13.735 -4.095 -7.185 1.00 0.00 H new ATOM 950 N ASN A 64 17.234 -0.515 -6.491 1.00 0.00 N ATOM 951 CA ASN A 64 17.148 0.795 -5.858 1.00 0.00 C ATOM 952 C ASN A 64 15.916 1.554 -6.342 1.00 0.00 C ATOM 953 O ASN A 64 15.529 2.567 -5.759 1.00 0.00 O ATOM 954 CB ASN A 64 18.410 1.609 -6.149 1.00 0.00 C ATOM 955 CG ASN A 64 19.669 0.766 -6.089 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.105 0.440 -4.878 1.00 0.00 O flip ATOM 957 ND2 ASN A 64 20.242 0.411 -7.119 1.00 0.00 N flip ATOM 0 H ASN A 64 17.757 -0.527 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 64 17.060 0.646 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.327 2.063 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.487 2.424 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 64 19.871 0.685 -8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 64 21.087 -0.157 -7.062 1.00 0.00 H new ATOM 964 N ALA A 65 15.305 1.058 -7.412 1.00 0.00 N ATOM 965 CA ALA A 65 14.116 1.687 -7.974 1.00 0.00 C ATOM 966 C ALA A 65 14.294 3.197 -8.084 1.00 0.00 C ATOM 967 O ALA A 65 13.461 3.966 -7.608 1.00 0.00 O ATOM 968 CB ALA A 65 12.895 1.358 -7.127 1.00 0.00 C ATOM 0 H ALA A 65 15.614 0.222 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 65 13.966 1.291 -8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.014 1.834 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.749 0.278 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.046 1.726 -6.112 1.00 0.00 H new ATOM 974 N ASN A 66 15.388 3.615 -8.714 1.00 0.00 N ATOM 975 CA ASN A 66 15.676 5.034 -8.886 1.00 0.00 C ATOM 976 C ASN A 66 14.859 5.620 -10.033 1.00 0.00 C ATOM 977 O ASN A 66 13.979 6.458 -9.837 1.00 0.00 O ATOM 978 CB ASN A 66 17.168 5.245 -9.147 1.00 0.00 C ATOM 979 CG ASN A 66 17.891 5.819 -7.944 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.599 6.821 -8.051 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.715 5.185 -6.790 1.00 0.00 N ATOM 0 H ASN A 66 16.089 2.991 -9.113 1.00 0.00 H new ATOM 0 HA ASN A 66 15.399 5.549 -7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.624 4.294 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.294 5.916 -9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.176 5.525 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.119 4.358 -6.748 1.00 0.00 H new ATOM 988 N PRO A 67 15.156 5.170 -11.261 1.00 0.00 N ATOM 989 CA PRO A 67 14.461 5.635 -12.465 1.00 0.00 C ATOM 990 C PRO A 67 13.018 5.144 -12.527 1.00 0.00 C ATOM 991 O PRO A 67 12.236 5.590 -13.365 1.00 0.00 O ATOM 992 CB PRO A 67 15.281 5.028 -13.606 1.00 0.00 C ATOM 993 CG PRO A 67 15.929 3.827 -13.009 1.00 0.00 C ATOM 994 CD PRO A 67 16.193 4.171 -11.569 1.00 0.00 C ATOM 0 HA PRO A 67 14.394 6.722 -12.502 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.646 4.757 -14.449 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.023 5.734 -13.979 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.281 2.954 -13.089 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.856 3.585 -13.529 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.111 3.295 -10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.195 4.576 -11.430 1.00 0.00 H new ATOM 1002 N GLY A 68 12.672 4.223 -11.632 1.00 0.00 N ATOM 1003 CA GLY A 68 11.324 3.687 -11.603 1.00 0.00 C ATOM 1004 C GLY A 68 11.221 2.337 -12.284 1.00 0.00 C ATOM 1005 O GLY A 68 10.230 2.045 -12.955 1.00 0.00 O ATOM 0 H GLY A 68 13.301 3.839 -10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.996 3.594 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.647 4.389 -12.090 1.00 0.00 H new ATOM 1009 N LEU A 69 12.247 1.511 -12.114 1.00 0.00 N ATOM 1010 CA LEU A 69 12.270 0.184 -12.719 1.00 0.00 C ATOM 1011 C LEU A 69 11.636 -0.848 -11.791 1.00 0.00 C ATOM 1012 O LEU A 69 11.023 -1.813 -12.247 1.00 0.00 O ATOM 1013 CB LEU A 69 13.707 -0.224 -13.048 1.00 0.00 C ATOM 1014 CG LEU A 69 14.656 -0.358 -11.857 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.424 -1.669 -11.931 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.616 0.822 -11.804 1.00 0.00 C ATOM 0 H LEU A 69 13.074 1.737 -11.562 1.00 0.00 H new ATOM 0 HA LEU A 69 11.690 0.222 -13.641 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.681 -1.178 -13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.123 0.510 -13.738 1.00 0.00 H new ATOM 0 HG LEU A 69 14.062 -0.359 -10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.094 -1.747 -11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.722 -2.503 -11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.006 -1.698 -12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.284 0.710 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.203 0.855 -12.722 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.049 1.748 -11.702 1.00 0.00 H new ATOM 1028 N MET A 70 11.787 -0.636 -10.488 1.00 0.00 N ATOM 1029 CA MET A 70 11.226 -1.547 -9.496 1.00 0.00 C ATOM 1030 C MET A 70 10.052 -0.901 -8.768 1.00 0.00 C ATOM 1031 O MET A 70 9.209 -1.590 -8.193 1.00 0.00 O ATOM 1032 CB MET A 70 12.300 -1.962 -8.489 1.00 0.00 C ATOM 1033 CG MET A 70 13.545 -2.547 -9.136 1.00 0.00 C ATOM 1034 SD MET A 70 13.400 -4.317 -9.448 1.00 0.00 S ATOM 1035 CE MET A 70 14.031 -4.418 -11.121 1.00 0.00 C ATOM 0 H MET A 70 12.292 0.158 -10.094 1.00 0.00 H new ATOM 0 HA MET A 70 10.864 -2.434 -10.016 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.583 -1.094 -7.894 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.878 -2.696 -7.802 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.737 -2.031 -10.077 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.405 -2.365 -8.491 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.106 -5.464 -11.419 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.355 -3.895 -11.797 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.017 -3.957 -11.166 1.00 0.00 H new ATOM 1045 N LYS A 71 10.002 0.427 -8.795 1.00 0.00 N ATOM 1046 CA LYS A 71 8.931 1.167 -8.139 1.00 0.00 C ATOM 1047 C LYS A 71 7.640 1.087 -8.947 1.00 0.00 C ATOM 1048 O LYS A 71 6.544 1.164 -8.392 1.00 0.00 O ATOM 1049 CB LYS A 71 9.337 2.630 -7.948 1.00 0.00 C ATOM 1050 CG LYS A 71 8.919 3.532 -9.097 1.00 0.00 C ATOM 1051 CD LYS A 71 7.533 4.113 -8.873 1.00 0.00 C ATOM 1052 CE LYS A 71 7.374 5.458 -9.565 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.213 6.223 -9.031 1.00 0.00 N ATOM 0 H LYS A 71 10.692 1.013 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 71 8.756 0.715 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.895 3.004 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.419 2.686 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.641 4.342 -9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.931 2.966 -10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.781 3.419 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.354 4.229 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.285 6.043 -9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.245 5.302 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.139 7.133 -9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.340 5.676 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.348 6.394 -8.014 1.00 0.00 H new ATOM 1067 N ASP A 72 7.777 0.933 -10.259 1.00 0.00 N ATOM 1068 CA ASP A 72 6.622 0.840 -11.143 1.00 0.00 C ATOM 1069 C ASP A 72 6.399 -0.599 -11.598 1.00 0.00 C ATOM 1070 O ASP A 72 5.816 -0.845 -12.654 1.00 0.00 O ATOM 1071 CB ASP A 72 6.809 1.749 -12.359 1.00 0.00 C ATOM 1072 CG ASP A 72 5.490 2.243 -12.920 1.00 0.00 C ATOM 1073 OD1 ASP A 72 4.953 3.236 -12.386 1.00 0.00 O ATOM 1074 OD2 ASP A 72 4.994 1.637 -13.894 1.00 0.00 O ATOM 0 H ASP A 72 8.677 0.870 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 72 5.743 1.166 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.424 2.604 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.350 1.207 -13.134 1.00 0.00 H new ATOM 1079 N VAL A 73 6.868 -1.548 -10.793 1.00 0.00 N ATOM 1080 CA VAL A 73 6.720 -2.963 -11.112 1.00 0.00 C ATOM 1081 C VAL A 73 6.015 -3.709 -9.986 1.00 0.00 C ATOM 1082 O VAL A 73 5.315 -4.694 -10.223 1.00 0.00 O ATOM 1083 CB VAL A 73 8.086 -3.624 -11.375 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.542 -4.411 -10.156 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.017 -4.520 -12.603 1.00 0.00 C ATOM 0 H VAL A 73 7.353 -1.362 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 73 6.115 -3.022 -12.017 1.00 0.00 H new ATOM 0 HB VAL A 73 8.818 -2.840 -11.566 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.509 -4.871 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.633 -3.739 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.811 -5.188 -9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.991 -4.979 -12.774 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.272 -5.299 -12.443 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.739 -3.925 -13.473 1.00 0.00 H new ATOM 1095 N ALA A 74 6.203 -3.234 -8.759 1.00 0.00 N ATOM 1096 CA ALA A 74 5.582 -3.855 -7.596 1.00 0.00 C ATOM 1097 C ALA A 74 4.070 -3.955 -7.768 1.00 0.00 C ATOM 1098 O ALA A 74 3.434 -4.871 -7.247 1.00 0.00 O ATOM 1099 CB ALA A 74 5.921 -3.072 -6.336 1.00 0.00 C ATOM 0 H ALA A 74 6.781 -2.421 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 74 5.978 -4.866 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.451 -3.547 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.002 -3.057 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.553 -2.050 -6.433 1.00 0.00 H new ATOM 1105 N LYS A 75 3.499 -3.006 -8.502 1.00 0.00 N ATOM 1106 CA LYS A 75 2.061 -2.986 -8.744 1.00 0.00 C ATOM 1107 C LYS A 75 1.715 -3.734 -10.028 1.00 0.00 C ATOM 1108 O LYS A 75 0.552 -4.049 -10.281 1.00 0.00 O ATOM 1109 CB LYS A 75 1.557 -1.544 -8.830 1.00 0.00 C ATOM 1110 CG LYS A 75 2.313 -0.694 -9.837 1.00 0.00 C ATOM 1111 CD LYS A 75 3.177 0.349 -9.149 1.00 0.00 C ATOM 1112 CE LYS A 75 2.352 1.539 -8.685 1.00 0.00 C ATOM 1113 NZ LYS A 75 2.533 2.720 -9.575 1.00 0.00 N ATOM 0 H LYS A 75 4.011 -2.240 -8.940 1.00 0.00 H new ATOM 0 HA LYS A 75 1.571 -3.486 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.500 -1.553 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.635 -1.082 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.939 -1.335 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.605 -0.200 -10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.681 -0.101 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.954 0.689 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.298 1.262 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.637 1.804 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.954 3.510 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.535 3.000 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.237 2.475 -10.541 1.00 0.00 H new ATOM 1127 N VAL A 76 2.733 -4.017 -10.835 1.00 0.00 N ATOM 1128 CA VAL A 76 2.537 -4.730 -12.092 1.00 0.00 C ATOM 1129 C VAL A 76 2.605 -6.239 -11.883 1.00 0.00 C ATOM 1130 O VAL A 76 3.135 -6.714 -10.879 1.00 0.00 O ATOM 1131 CB VAL A 76 3.588 -4.319 -13.140 1.00 0.00 C ATOM 1132 CG1 VAL A 76 3.174 -4.793 -14.525 1.00 0.00 C ATOM 1133 CG2 VAL A 76 3.796 -2.813 -13.123 1.00 0.00 C ATOM 0 H VAL A 76 3.702 -3.763 -10.641 1.00 0.00 H new ATOM 0 HA VAL A 76 1.546 -4.461 -12.458 1.00 0.00 H new ATOM 0 HB VAL A 76 4.535 -4.796 -12.887 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.928 -4.494 -15.253 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.081 -5.879 -14.525 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.216 -4.346 -14.791 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.542 -2.540 -13.870 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.855 -2.313 -13.351 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.141 -2.504 -12.136 1.00 0.00 H new ATOM 1143 N PHE A 77 2.066 -6.987 -12.840 1.00 0.00 N ATOM 1144 CA PHE A 77 2.065 -8.444 -12.762 1.00 0.00 C ATOM 1145 C PHE A 77 2.092 -9.063 -14.156 1.00 0.00 C ATOM 1146 O PHE A 77 1.694 -8.431 -15.134 1.00 0.00 O ATOM 1147 CB PHE A 77 0.834 -8.934 -11.997 1.00 0.00 C ATOM 1148 CG PHE A 77 0.982 -8.849 -10.505 1.00 0.00 C ATOM 1149 CD1 PHE A 77 1.774 -9.758 -9.821 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.331 -7.860 -9.785 1.00 0.00 C ATOM 1151 CE1 PHE A 77 1.911 -9.683 -8.448 1.00 0.00 C ATOM 1152 CE2 PHE A 77 0.465 -7.780 -8.412 1.00 0.00 C ATOM 1153 CZ PHE A 77 1.257 -8.692 -7.743 1.00 0.00 C ATOM 0 H PHE A 77 1.624 -6.609 -13.678 1.00 0.00 H new ATOM 0 HA PHE A 77 2.963 -8.755 -12.228 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.031 -8.346 -12.302 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.631 -9.968 -12.276 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.290 -10.534 -10.367 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.289 -7.143 -10.303 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.529 -10.399 -7.927 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.049 -7.005 -7.863 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.365 -8.630 -6.670 1.00 0.00 H new TER 1163 PHE A 77