USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 524 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 86 LYS NZ :NH3+ 148:sc= -0.851 (180deg=-3.72!) USER MOD Set 1.2: A 138 TYR OH : rot -133:sc= 0.776 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 97 ASN : amide:sc= -1 K(o=-1,f=-4.9!) USER MOD Single : A 101 SER OG : rot -166:sc= -0.658 USER MOD Single : A 107 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.043) USER MOD Single : A 109 MET CE :methyl -156:sc= 0 (180deg=-0.9) USER MOD Single : A 110 THR OG1 : rot 95:sc= 1.06 USER MOD Single : A 111 ASN : amide:sc= -2.03! C(o=-2!,f=-5.1!) USER MOD Single : A 115 LYS NZ :NH3+ 178:sc= -2.63! (180deg=-2.78!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -8.39! C(o=-8.4!,f=-20!) USER MOD Single : A 137 ASN : amide:sc= -1.4! C(o=-1.4!,f=-3.8!) USER MOD Single : A 143 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0541) USER MOD Single : A 145 MET CE :methyl 149:sc= -0.22 (180deg=-1.06) USER MOD Single : A 146 MET CE :methyl -179:sc= 0 (180deg=-0.000202) USER MOD Single : A 148 LYS NZ :NH3+ 152:sc= -0.0868 (180deg=-0.744) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.778 -3.646 -2.150 1.00 0.00 N ATOM 2 CA ASP A 80 -20.001 -3.495 -0.888 1.00 0.00 C ATOM 3 C ASP A 80 -18.528 -3.790 -1.160 1.00 0.00 C ATOM 4 O ASP A 80 -17.682 -3.623 -0.278 1.00 0.00 O ATOM 5 CB ASP A 80 -20.539 -4.471 0.159 1.00 0.00 C ATOM 6 CG ASP A 80 -20.359 -5.905 -0.323 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.931 -6.081 -1.452 1.00 0.00 O ATOM 8 OD2 ASP A 80 -20.650 -6.809 0.444 1.00 0.00 O ATOM 0 HA ASP A 80 -20.101 -2.475 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.015 -4.328 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.594 -4.271 0.346 1.00 0.00 H new ATOM 15 N SER A 81 -18.230 -4.218 -2.387 1.00 0.00 N ATOM 16 CA SER A 81 -16.856 -4.538 -2.757 1.00 0.00 C ATOM 17 C SER A 81 -15.926 -3.410 -2.327 1.00 0.00 C ATOM 18 O SER A 81 -14.837 -3.649 -1.803 1.00 0.00 O ATOM 19 CB SER A 81 -16.752 -4.725 -4.271 1.00 0.00 C ATOM 20 OG SER A 81 -15.581 -5.474 -4.566 1.00 0.00 O ATOM 0 H SER A 81 -18.914 -4.349 -3.132 1.00 0.00 H new ATOM 0 HA SER A 81 -16.565 -5.461 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.634 -5.242 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.714 -3.756 -4.768 1.00 0.00 H new ATOM 0 HG SER A 81 -15.508 -5.599 -5.535 1.00 0.00 H new ATOM 26 N GLU A 82 -16.362 -2.179 -2.563 1.00 0.00 N ATOM 27 CA GLU A 82 -15.568 -1.011 -2.207 1.00 0.00 C ATOM 28 C GLU A 82 -15.262 -1.006 -0.712 1.00 0.00 C ATOM 29 O GLU A 82 -14.156 -0.661 -0.304 1.00 0.00 O ATOM 30 CB GLU A 82 -16.341 0.271 -2.594 1.00 0.00 C ATOM 31 CG GLU A 82 -15.884 0.783 -3.975 1.00 0.00 C ATOM 32 CD GLU A 82 -14.653 1.675 -3.827 1.00 0.00 C ATOM 33 OE1 GLU A 82 -13.684 1.225 -3.233 1.00 0.00 O ATOM 34 OE2 GLU A 82 -14.697 2.796 -4.305 1.00 0.00 O ATOM 0 H GLU A 82 -17.259 -1.964 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.623 -1.045 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.411 0.066 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.177 1.042 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.654 -0.061 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.691 1.341 -4.449 1.00 0.00 H new ATOM 41 N GLU A 83 -16.240 -1.384 0.098 1.00 0.00 N ATOM 42 CA GLU A 83 -16.043 -1.406 1.537 1.00 0.00 C ATOM 43 C GLU A 83 -14.925 -2.374 1.901 1.00 0.00 C ATOM 44 O GLU A 83 -14.078 -2.081 2.747 1.00 0.00 O ATOM 45 CB GLU A 83 -17.341 -1.835 2.223 1.00 0.00 C ATOM 46 CG GLU A 83 -17.177 -1.737 3.740 1.00 0.00 C ATOM 47 CD GLU A 83 -18.481 -2.115 4.434 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.358 -2.637 3.764 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.584 -1.876 5.626 1.00 0.00 O ATOM 0 H GLU A 83 -17.167 -1.676 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.766 -0.407 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.164 -1.201 1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.593 -2.857 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.376 -2.398 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.889 -0.723 4.018 1.00 0.00 H new ATOM 56 N GLU A 84 -14.922 -3.528 1.245 1.00 0.00 N ATOM 57 CA GLU A 84 -13.899 -4.541 1.502 1.00 0.00 C ATOM 58 C GLU A 84 -12.529 -4.028 1.078 1.00 0.00 C ATOM 59 O GLU A 84 -11.536 -4.229 1.775 1.00 0.00 O ATOM 60 CB GLU A 84 -14.243 -5.830 0.738 1.00 0.00 C ATOM 61 CG GLU A 84 -15.759 -5.965 0.661 1.00 0.00 C ATOM 62 CD GLU A 84 -16.155 -7.395 0.296 1.00 0.00 C ATOM 63 OE1 GLU A 84 -15.556 -7.936 -0.618 1.00 0.00 O ATOM 64 OE2 GLU A 84 -17.050 -7.930 0.934 1.00 0.00 O ATOM 0 H GLU A 84 -15.609 -3.787 0.537 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.872 -4.756 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.815 -5.800 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.812 -6.695 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.203 -5.692 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.154 -5.272 -0.082 1.00 0.00 H new ATOM 71 N LEU A 85 -12.483 -3.357 -0.058 1.00 0.00 N ATOM 72 CA LEU A 85 -11.211 -2.815 -0.554 1.00 0.00 C ATOM 73 C LEU A 85 -10.634 -1.833 0.461 1.00 0.00 C ATOM 74 O LEU A 85 -9.436 -1.844 0.747 1.00 0.00 O ATOM 75 CB LEU A 85 -11.435 -2.095 -1.891 1.00 0.00 C ATOM 76 CG LEU A 85 -10.131 -1.477 -2.402 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.038 -2.553 -2.537 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.382 -0.842 -3.772 1.00 0.00 C ATOM 0 H LEU A 85 -13.291 -3.171 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.510 -3.637 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.822 -2.799 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.188 -1.316 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.795 -0.723 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.119 -2.094 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.855 -3.010 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.366 -3.318 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.457 -0.399 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.724 -1.606 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.144 -0.068 -3.680 1.00 0.00 H new ATOM 90 N LYS A 86 -11.499 -0.990 1.000 1.00 0.00 N ATOM 91 CA LYS A 86 -11.087 0.002 1.990 1.00 0.00 C ATOM 92 C LYS A 86 -10.574 -0.682 3.254 1.00 0.00 C ATOM 93 O LYS A 86 -9.652 -0.190 3.903 1.00 0.00 O ATOM 94 CB LYS A 86 -12.257 0.925 2.304 1.00 0.00 C ATOM 95 CG LYS A 86 -12.547 1.768 1.061 1.00 0.00 C ATOM 96 CD LYS A 86 -13.767 2.656 1.306 1.00 0.00 C ATOM 97 CE LYS A 86 -14.031 3.517 0.066 1.00 0.00 C ATOM 98 NZ LYS A 86 -14.383 2.637 -1.085 1.00 0.00 N ATOM 0 H LYS A 86 -12.493 -0.970 0.771 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.271 0.598 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.136 0.344 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.018 1.567 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.681 2.384 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.726 1.118 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.639 2.041 1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.598 3.293 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.842 4.218 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.148 4.110 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.050 3.133 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.521 2.399 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.824 1.764 -0.732 1.00 0.00 H new ATOM 112 N GLU A 87 -11.141 -1.843 3.571 1.00 0.00 N ATOM 113 CA GLU A 87 -10.671 -2.593 4.733 1.00 0.00 C ATOM 114 C GLU A 87 -9.240 -3.045 4.465 1.00 0.00 C ATOM 115 O GLU A 87 -8.369 -2.943 5.327 1.00 0.00 O ATOM 116 CB GLU A 87 -11.569 -3.803 5.002 1.00 0.00 C ATOM 117 CG GLU A 87 -12.916 -3.329 5.548 1.00 0.00 C ATOM 118 CD GLU A 87 -13.875 -4.507 5.673 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.466 -5.614 5.366 1.00 0.00 O ATOM 120 OE2 GLU A 87 -15.007 -4.285 6.072 1.00 0.00 O ATOM 0 H GLU A 87 -11.907 -2.277 3.055 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.705 -1.956 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.717 -4.371 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.090 -4.472 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.777 -2.858 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.340 -2.574 4.886 1.00 0.00 H new ATOM 127 N ALA A 88 -9.010 -3.520 3.243 1.00 0.00 N ATOM 128 CA ALA A 88 -7.680 -3.959 2.835 1.00 0.00 C ATOM 129 C ALA A 88 -6.710 -2.790 2.920 1.00 0.00 C ATOM 130 O ALA A 88 -5.610 -2.911 3.456 1.00 0.00 O ATOM 131 CB ALA A 88 -7.728 -4.492 1.402 1.00 0.00 C ATOM 0 H ALA A 88 -9.725 -3.610 2.521 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.343 -4.755 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.732 -4.819 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.417 -5.335 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.069 -3.703 0.732 1.00 0.00 H new ATOM 137 N PHE A 89 -7.136 -1.650 2.396 1.00 0.00 N ATOM 138 CA PHE A 89 -6.322 -0.447 2.427 1.00 0.00 C ATOM 139 C PHE A 89 -6.023 -0.039 3.865 1.00 0.00 C ATOM 140 O PHE A 89 -4.881 0.267 4.211 1.00 0.00 O ATOM 141 CB PHE A 89 -7.064 0.668 1.711 1.00 0.00 C ATOM 142 CG PHE A 89 -6.349 1.967 1.932 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.240 2.294 1.148 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.794 2.842 2.927 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.575 3.500 1.355 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.128 4.051 3.138 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.019 4.379 2.349 1.00 0.00 C ATOM 0 H PHE A 89 -8.043 -1.534 1.944 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.374 -0.640 1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.126 0.452 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.087 0.736 2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.899 1.613 0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.651 2.584 3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.718 3.756 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.467 4.730 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.504 5.315 2.508 1.00 0.00 H new ATOM 157 N ARG A 90 -7.058 -0.039 4.690 1.00 0.00 N ATOM 158 CA ARG A 90 -6.916 0.329 6.090 1.00 0.00 C ATOM 159 C ARG A 90 -5.958 -0.626 6.794 1.00 0.00 C ATOM 160 O ARG A 90 -5.170 -0.218 7.647 1.00 0.00 O ATOM 161 CB ARG A 90 -8.287 0.301 6.765 1.00 0.00 C ATOM 162 CG ARG A 90 -8.196 0.925 8.157 1.00 0.00 C ATOM 163 CD ARG A 90 -9.574 0.878 8.815 1.00 0.00 C ATOM 164 NE ARG A 90 -9.988 -0.509 9.005 1.00 0.00 N ATOM 165 CZ ARG A 90 -9.601 -1.207 10.066 1.00 0.00 C ATOM 166 NH1 ARG A 90 -9.957 -0.826 11.264 1.00 0.00 N ATOM 167 NH2 ARG A 90 -8.863 -2.271 9.912 1.00 0.00 N ATOM 0 H ARG A 90 -8.007 -0.290 4.414 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.505 1.336 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.011 0.846 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.644 -0.726 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.470 0.385 8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.848 1.955 8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.546 1.393 9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.301 1.402 8.194 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.587 -0.951 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.532 0.008 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.660 -1.362 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.583 -2.567 8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.565 -2.808 10.727 1.00 0.00 H new ATOM 181 N VAL A 91 -6.008 -1.894 6.394 1.00 0.00 N ATOM 182 CA VAL A 91 -5.116 -2.906 6.955 1.00 0.00 C ATOM 183 C VAL A 91 -3.673 -2.600 6.557 1.00 0.00 C ATOM 184 O VAL A 91 -2.759 -2.653 7.380 1.00 0.00 O ATOM 185 CB VAL A 91 -5.509 -4.295 6.415 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.395 -5.315 6.698 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.818 -4.765 7.073 1.00 0.00 C ATOM 0 H VAL A 91 -6.654 -2.245 5.687 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.202 -2.897 8.042 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.654 -4.219 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.688 -6.291 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.474 -4.993 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.231 -5.386 7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.088 -5.747 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.681 -4.826 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.614 -4.055 6.848 1.00 0.00 H new ATOM 197 N PHE A 92 -3.496 -2.297 5.274 1.00 0.00 N ATOM 198 CA PHE A 92 -2.183 -2.005 4.715 1.00 0.00 C ATOM 199 C PHE A 92 -1.525 -0.802 5.387 1.00 0.00 C ATOM 200 O PHE A 92 -0.320 -0.798 5.628 1.00 0.00 O ATOM 201 CB PHE A 92 -2.323 -1.713 3.209 1.00 0.00 C ATOM 202 CG PHE A 92 -2.448 -2.997 2.404 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.436 -3.960 2.457 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.562 -3.206 1.578 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.543 -5.127 1.698 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.668 -4.366 0.817 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.659 -5.332 0.876 1.00 0.00 C ATOM 0 H PHE A 92 -4.257 -2.248 4.596 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.553 -2.877 4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.199 -1.088 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.457 -1.149 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.572 -3.801 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.343 -2.461 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.764 -5.873 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.528 -4.520 0.182 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.740 -6.235 0.289 1.00 0.00 H new ATOM 217 N ASP A 93 -2.309 0.232 5.638 1.00 0.00 N ATOM 218 CA ASP A 93 -1.779 1.456 6.229 1.00 0.00 C ATOM 219 C ASP A 93 -1.637 1.332 7.747 1.00 0.00 C ATOM 220 O ASP A 93 -2.577 1.617 8.488 1.00 0.00 O ATOM 221 CB ASP A 93 -2.707 2.626 5.890 1.00 0.00 C ATOM 222 CG ASP A 93 -2.028 3.953 6.217 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.118 3.945 7.027 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.427 4.958 5.651 1.00 0.00 O ATOM 0 H ASP A 93 -3.310 0.252 5.444 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.786 1.633 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.970 2.595 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.636 2.537 6.453 1.00 0.00 H new ATOM 229 N LYS A 94 -0.453 0.912 8.201 1.00 0.00 N ATOM 230 CA LYS A 94 -0.211 0.756 9.622 1.00 0.00 C ATOM 231 C LYS A 94 -0.475 2.079 10.330 1.00 0.00 C ATOM 232 O LYS A 94 -1.133 2.120 11.369 1.00 0.00 O ATOM 233 CB LYS A 94 1.243 0.339 9.855 1.00 0.00 C ATOM 234 CG LYS A 94 1.451 0.043 11.336 1.00 0.00 C ATOM 235 CD LYS A 94 2.889 -0.434 11.568 1.00 0.00 C ATOM 236 CE LYS A 94 3.109 -0.754 13.052 1.00 0.00 C ATOM 237 NZ LYS A 94 4.510 -1.229 13.251 1.00 0.00 N ATOM 0 H LYS A 94 0.341 0.678 7.605 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.876 -0.011 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.481 -0.542 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.917 1.133 9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.254 0.937 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.746 -0.720 11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.088 -1.320 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.591 0.335 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.924 0.132 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.404 -1.518 13.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.663 -1.447 14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.670 -2.085 12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.174 -0.486 12.953 1.00 0.00 H new ATOM 251 N ASP A 95 0.064 3.153 9.767 1.00 0.00 N ATOM 252 CA ASP A 95 -0.103 4.479 10.347 1.00 0.00 C ATOM 253 C ASP A 95 -1.557 4.933 10.244 1.00 0.00 C ATOM 254 O ASP A 95 -2.088 5.555 11.165 1.00 0.00 O ATOM 255 CB ASP A 95 0.788 5.466 9.606 1.00 0.00 C ATOM 256 CG ASP A 95 2.159 4.851 9.364 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.641 4.153 10.242 1.00 0.00 O ATOM 258 OD2 ASP A 95 2.698 5.077 8.292 1.00 0.00 O ATOM 0 H ASP A 95 0.619 3.132 8.912 1.00 0.00 H new ATOM 0 HA ASP A 95 0.176 4.440 11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.330 5.739 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.889 6.383 10.186 1.00 0.00 H new ATOM 263 N GLN A 96 -2.180 4.625 9.110 1.00 0.00 N ATOM 264 CA GLN A 96 -3.574 4.990 8.862 1.00 0.00 C ATOM 265 C GLN A 96 -3.734 6.501 8.670 1.00 0.00 C ATOM 266 O GLN A 96 -4.574 7.124 9.319 1.00 0.00 O ATOM 267 CB GLN A 96 -4.459 4.528 10.025 1.00 0.00 C ATOM 268 CG GLN A 96 -5.921 4.490 9.571 1.00 0.00 C ATOM 269 CD GLN A 96 -6.815 4.032 10.716 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.282 3.473 11.768 1.00 0.00 O flip ATOM 271 NE2 GLN A 96 -8.034 4.184 10.650 1.00 0.00 N flip ATOM 0 H GLN A 96 -1.738 4.120 8.342 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.885 4.492 7.944 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.147 3.540 10.363 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.348 5.205 10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.230 5.479 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.029 3.814 8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.450 4.621 9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.629 3.873 11.418 1.00 0.00 H new ATOM 280 N ASN A 97 -2.937 7.090 7.773 1.00 0.00 N ATOM 281 CA ASN A 97 -3.021 8.535 7.503 1.00 0.00 C ATOM 282 C ASN A 97 -3.613 8.777 6.114 1.00 0.00 C ATOM 283 O ASN A 97 -3.703 9.913 5.651 1.00 0.00 O ATOM 284 CB ASN A 97 -1.630 9.169 7.585 1.00 0.00 C ATOM 285 CG ASN A 97 -0.825 8.514 8.701 1.00 0.00 C ATOM 286 OD1 ASN A 97 0.295 8.058 8.467 1.00 0.00 O ATOM 287 ND2 ASN A 97 -1.332 8.434 9.901 1.00 0.00 N ATOM 0 H ASN A 97 -2.232 6.597 7.225 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.667 8.992 8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.111 9.052 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.719 10.240 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.800 7.992 10.651 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.260 8.813 10.089 1.00 0.00 H new ATOM 294 N GLY A 98 -3.998 7.689 5.456 1.00 0.00 N ATOM 295 CA GLY A 98 -4.565 7.765 4.111 1.00 0.00 C ATOM 296 C GLY A 98 -3.475 7.578 3.061 1.00 0.00 C ATOM 297 O GLY A 98 -3.562 8.105 1.951 1.00 0.00 O ATOM 0 H GLY A 98 -3.928 6.743 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.331 6.999 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.053 8.729 3.970 1.00 0.00 H new ATOM 301 N PHE A 99 -2.448 6.815 3.426 1.00 0.00 N ATOM 302 CA PHE A 99 -1.336 6.543 2.524 1.00 0.00 C ATOM 303 C PHE A 99 -0.646 5.249 2.924 1.00 0.00 C ATOM 304 O PHE A 99 -0.661 4.868 4.093 1.00 0.00 O ATOM 305 CB PHE A 99 -0.310 7.669 2.598 1.00 0.00 C ATOM 306 CG PHE A 99 -0.953 8.981 2.237 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.584 9.742 3.223 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.908 9.435 0.917 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.177 10.965 2.889 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.500 10.656 0.580 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.135 11.423 1.566 1.00 0.00 C ATOM 0 H PHE A 99 -2.364 6.374 4.342 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.732 6.463 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.108 7.725 3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.518 7.462 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.614 9.387 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.417 8.844 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.666 11.555 3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.468 11.008 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.592 12.367 1.306 1.00 0.00 H new ATOM 321 N ILE A 100 0.012 4.604 1.962 1.00 0.00 N ATOM 322 CA ILE A 100 0.764 3.385 2.244 1.00 0.00 C ATOM 323 C ILE A 100 2.216 3.641 1.890 1.00 0.00 C ATOM 324 O ILE A 100 2.524 4.133 0.804 1.00 0.00 O ATOM 325 CB ILE A 100 0.225 2.203 1.448 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.250 1.997 1.805 1.00 0.00 C ATOM 327 CG2 ILE A 100 1.015 0.944 1.817 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.890 1.029 0.810 1.00 0.00 C ATOM 0 H ILE A 100 0.039 4.903 0.987 1.00 0.00 H new ATOM 0 HA ILE A 100 0.665 3.131 3.299 1.00 0.00 H new ATOM 0 HB ILE A 100 0.325 2.397 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.338 1.604 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.775 2.952 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.633 0.095 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.069 1.093 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.907 0.746 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.939 0.884 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.816 1.440 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.372 0.071 0.850 1.00 0.00 H new ATOM 340 N SER A 101 3.096 3.321 2.819 1.00 0.00 N ATOM 341 CA SER A 101 4.526 3.534 2.620 1.00 0.00 C ATOM 342 C SER A 101 5.238 2.202 2.503 1.00 0.00 C ATOM 343 O SER A 101 4.779 1.194 3.041 1.00 0.00 O ATOM 344 CB SER A 101 5.099 4.319 3.803 1.00 0.00 C ATOM 345 OG SER A 101 5.515 3.409 4.807 1.00 0.00 O ATOM 0 H SER A 101 2.851 2.912 3.721 1.00 0.00 H new ATOM 0 HA SER A 101 4.676 4.100 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.941 4.929 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.347 5.000 4.201 1.00 0.00 H new ATOM 0 HG SER A 101 5.673 3.895 5.643 1.00 0.00 H new ATOM 351 N ALA A 102 6.373 2.199 1.818 1.00 0.00 N ATOM 352 CA ALA A 102 7.141 0.975 1.675 1.00 0.00 C ATOM 353 C ALA A 102 7.355 0.394 3.059 1.00 0.00 C ATOM 354 O ALA A 102 7.238 -0.813 3.276 1.00 0.00 O ATOM 355 CB ALA A 102 8.494 1.273 1.033 1.00 0.00 C ATOM 0 H ALA A 102 6.776 3.017 1.360 1.00 0.00 H new ATOM 0 HA ALA A 102 6.605 0.270 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.060 0.347 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.340 1.714 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.049 1.971 1.661 1.00 0.00 H new ATOM 361 N ALA A 103 7.644 1.287 3.997 1.00 0.00 N ATOM 362 CA ALA A 103 7.854 0.903 5.380 1.00 0.00 C ATOM 363 C ALA A 103 6.631 0.159 5.891 1.00 0.00 C ATOM 364 O ALA A 103 6.732 -0.945 6.426 1.00 0.00 O ATOM 365 CB ALA A 103 8.070 2.165 6.219 1.00 0.00 C ATOM 0 H ALA A 103 7.738 2.287 3.820 1.00 0.00 H new ATOM 0 HA ALA A 103 8.727 0.255 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.229 1.887 7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.944 2.702 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.192 2.806 6.145 1.00 0.00 H new ATOM 371 N GLU A 104 5.474 0.773 5.700 1.00 0.00 N ATOM 372 CA GLU A 104 4.228 0.180 6.118 1.00 0.00 C ATOM 373 C GLU A 104 4.005 -1.121 5.360 1.00 0.00 C ATOM 374 O GLU A 104 3.625 -2.138 5.940 1.00 0.00 O ATOM 375 CB GLU A 104 3.101 1.159 5.815 1.00 0.00 C ATOM 376 CG GLU A 104 3.222 2.378 6.730 1.00 0.00 C ATOM 377 CD GLU A 104 2.206 3.435 6.318 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.022 3.152 6.395 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.626 4.512 5.930 1.00 0.00 O ATOM 0 H GLU A 104 5.379 1.686 5.255 1.00 0.00 H new ATOM 0 HA GLU A 104 4.252 -0.036 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.146 1.469 4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.136 0.675 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.055 2.084 7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.230 2.788 6.673 1.00 0.00 H new ATOM 386 N LEU A 105 4.263 -1.078 4.058 1.00 0.00 N ATOM 387 CA LEU A 105 4.105 -2.252 3.208 1.00 0.00 C ATOM 388 C LEU A 105 5.085 -3.343 3.644 1.00 0.00 C ATOM 389 O LEU A 105 4.758 -4.529 3.648 1.00 0.00 O ATOM 390 CB LEU A 105 4.361 -1.867 1.743 1.00 0.00 C ATOM 391 CG LEU A 105 3.704 -2.896 0.795 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.235 -2.524 0.549 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.444 -2.910 -0.548 1.00 0.00 C ATOM 0 H LEU A 105 4.583 -0.243 3.568 1.00 0.00 H new ATOM 0 HA LEU A 105 3.088 -2.633 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.960 -0.873 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.434 -1.821 1.554 1.00 0.00 H new ATOM 0 HG LEU A 105 3.758 -3.881 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.782 -3.255 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.698 -2.518 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.181 -1.535 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.977 -3.637 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.395 -1.920 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.487 -3.183 -0.386 1.00 0.00 H new ATOM 405 N ARG A 106 6.285 -2.919 4.025 1.00 0.00 N ATOM 406 CA ARG A 106 7.307 -3.854 4.483 1.00 0.00 C ATOM 407 C ARG A 106 6.858 -4.524 5.778 1.00 0.00 C ATOM 408 O ARG A 106 7.031 -5.729 5.964 1.00 0.00 O ATOM 409 CB ARG A 106 8.637 -3.127 4.714 1.00 0.00 C ATOM 410 CG ARG A 106 9.716 -4.139 5.118 1.00 0.00 C ATOM 411 CD ARG A 106 11.056 -3.418 5.289 1.00 0.00 C ATOM 412 NE ARG A 106 12.091 -4.365 5.693 1.00 0.00 N ATOM 413 CZ ARG A 106 13.334 -3.964 5.937 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.547 -2.914 6.682 1.00 0.00 N ATOM 415 NH2 ARG A 106 14.343 -4.622 5.434 1.00 0.00 N ATOM 0 H ARG A 106 6.573 -1.941 4.026 1.00 0.00 H new ATOM 0 HA ARG A 106 7.450 -4.613 3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.938 -2.602 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.520 -2.374 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.436 -4.633 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.803 -4.916 4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.340 -2.936 4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.961 -2.631 6.037 1.00 0.00 H new ATOM 0 HE ARG A 106 11.856 -5.353 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.759 -2.401 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.501 -2.607 6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.177 -5.444 4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.297 -4.314 5.621 1.00 0.00 H new ATOM 429 N HIS A 107 6.289 -3.722 6.674 1.00 0.00 N ATOM 430 CA HIS A 107 5.819 -4.224 7.960 1.00 0.00 C ATOM 431 C HIS A 107 4.635 -5.178 7.786 1.00 0.00 C ATOM 432 O HIS A 107 4.577 -6.230 8.423 1.00 0.00 O ATOM 433 CB HIS A 107 5.408 -3.047 8.845 1.00 0.00 C ATOM 434 CG HIS A 107 6.625 -2.229 9.184 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.550 -1.062 9.931 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.955 -2.390 8.876 1.00 0.00 C ATOM 437 CE1 HIS A 107 7.799 -0.573 10.046 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.692 -1.344 9.421 1.00 0.00 N ATOM 0 H HIS A 107 6.143 -2.723 6.532 1.00 0.00 H new ATOM 0 HA HIS A 107 6.632 -4.778 8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.673 -2.429 8.329 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.935 -3.411 9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.365 -3.205 8.298 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.048 0.333 10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.699 -1.197 9.357 1.00 0.00 H new ATOM 446 N VAL A 108 3.696 -4.801 6.924 1.00 0.00 N ATOM 447 CA VAL A 108 2.518 -5.627 6.673 1.00 0.00 C ATOM 448 C VAL A 108 2.927 -6.947 6.017 1.00 0.00 C ATOM 449 O VAL A 108 2.450 -8.021 6.400 1.00 0.00 O ATOM 450 CB VAL A 108 1.538 -4.861 5.779 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.372 -5.767 5.377 1.00 0.00 C ATOM 452 CG2 VAL A 108 0.998 -3.647 6.546 1.00 0.00 C ATOM 0 H VAL A 108 3.726 -3.933 6.389 1.00 0.00 H new ATOM 0 HA VAL A 108 2.029 -5.855 7.620 1.00 0.00 H new ATOM 0 HB VAL A 108 2.058 -4.531 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.318 -5.212 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.753 -6.630 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.151 -6.106 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.300 -3.098 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.484 -3.984 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.826 -2.994 6.824 1.00 0.00 H new ATOM 462 N MET A 109 3.833 -6.865 5.044 1.00 0.00 N ATOM 463 CA MET A 109 4.323 -8.049 4.355 1.00 0.00 C ATOM 464 C MET A 109 5.105 -8.931 5.331 1.00 0.00 C ATOM 465 O MET A 109 5.079 -10.154 5.240 1.00 0.00 O ATOM 466 CB MET A 109 5.224 -7.624 3.185 1.00 0.00 C ATOM 467 CG MET A 109 4.362 -7.237 1.980 1.00 0.00 C ATOM 468 SD MET A 109 2.980 -6.191 2.506 1.00 0.00 S ATOM 469 CE MET A 109 1.927 -6.458 1.057 1.00 0.00 C ATOM 0 H MET A 109 4.240 -5.989 4.718 1.00 0.00 H new ATOM 0 HA MET A 109 3.479 -8.619 3.967 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.849 -6.782 3.482 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.896 -8.439 2.916 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.969 -6.708 1.245 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.982 -8.135 1.492 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.240 -5.619 0.947 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.549 -6.537 0.165 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.358 -7.379 1.185 1.00 0.00 H new ATOM 479 N THR A 110 5.791 -8.297 6.272 1.00 0.00 N ATOM 480 CA THR A 110 6.563 -9.030 7.273 1.00 0.00 C ATOM 481 C THR A 110 5.626 -9.843 8.168 1.00 0.00 C ATOM 482 O THR A 110 5.871 -11.021 8.437 1.00 0.00 O ATOM 483 CB THR A 110 7.375 -8.047 8.116 1.00 0.00 C ATOM 484 OG1 THR A 110 8.286 -7.354 7.275 1.00 0.00 O ATOM 485 CG2 THR A 110 8.149 -8.803 9.195 1.00 0.00 C ATOM 0 H THR A 110 5.831 -7.282 6.366 1.00 0.00 H new ATOM 0 HA THR A 110 7.244 -9.715 6.768 1.00 0.00 H new ATOM 0 HB THR A 110 6.701 -7.336 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.891 -6.502 6.997 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.725 -8.096 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.449 -9.336 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.825 -9.517 8.725 1.00 0.00 H new ATOM 493 N ASN A 111 4.545 -9.205 8.614 1.00 0.00 N ATOM 494 CA ASN A 111 3.559 -9.869 9.465 1.00 0.00 C ATOM 495 C ASN A 111 3.031 -11.098 8.740 1.00 0.00 C ATOM 496 O ASN A 111 2.805 -12.154 9.330 1.00 0.00 O ATOM 497 CB ASN A 111 2.394 -8.906 9.732 1.00 0.00 C ATOM 498 CG ASN A 111 1.345 -9.567 10.619 1.00 0.00 C ATOM 499 OD1 ASN A 111 1.187 -10.788 10.595 1.00 0.00 O ATOM 500 ND2 ASN A 111 0.610 -8.826 11.402 1.00 0.00 N ATOM 0 H ASN A 111 4.330 -8.231 8.401 1.00 0.00 H new ATOM 0 HA ASN A 111 4.019 -10.161 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.766 -8.001 10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.941 -8.603 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.098 -9.258 11.996 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.743 -7.815 11.420 1.00 0.00 H new ATOM 507 N LEU A 112 2.853 -10.917 7.443 1.00 0.00 N ATOM 508 CA LEU A 112 2.353 -11.952 6.547 1.00 0.00 C ATOM 509 C LEU A 112 3.245 -13.192 6.614 1.00 0.00 C ATOM 510 O LEU A 112 2.768 -14.324 6.598 1.00 0.00 O ATOM 511 CB LEU A 112 2.416 -11.353 5.122 1.00 0.00 C ATOM 512 CG LEU A 112 1.344 -11.905 4.158 1.00 0.00 C ATOM 513 CD1 LEU A 112 1.130 -13.413 4.317 1.00 0.00 C ATOM 514 CD2 LEU A 112 0.027 -11.164 4.382 1.00 0.00 C ATOM 0 H LEU A 112 3.054 -10.034 6.973 1.00 0.00 H new ATOM 0 HA LEU A 112 1.342 -12.251 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.306 -10.271 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.402 -11.547 4.701 1.00 0.00 H new ATOM 0 HG LEU A 112 1.701 -11.740 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.366 -13.748 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.064 -13.937 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.807 -13.629 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.730 -11.554 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.301 -11.309 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.171 -10.100 4.193 1.00 0.00 H new ATOM 526 N GLY A 113 4.550 -12.956 6.646 1.00 0.00 N ATOM 527 CA GLY A 113 5.525 -14.041 6.656 1.00 0.00 C ATOM 528 C GLY A 113 6.118 -14.138 5.264 1.00 0.00 C ATOM 529 O GLY A 113 6.716 -15.145 4.884 1.00 0.00 O ATOM 0 H GLY A 113 4.959 -12.022 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.305 -13.848 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.049 -14.981 6.936 1.00 0.00 H new ATOM 533 N GLU A 114 5.970 -13.035 4.532 1.00 0.00 N ATOM 534 CA GLU A 114 6.509 -12.909 3.186 1.00 0.00 C ATOM 535 C GLU A 114 7.808 -12.117 3.280 1.00 0.00 C ATOM 536 O GLU A 114 7.881 -11.146 4.032 1.00 0.00 O ATOM 537 CB GLU A 114 5.519 -12.162 2.282 1.00 0.00 C ATOM 538 CG GLU A 114 4.269 -13.017 2.056 1.00 0.00 C ATOM 539 CD GLU A 114 3.270 -12.268 1.177 1.00 0.00 C ATOM 540 OE1 GLU A 114 3.599 -11.178 0.736 1.00 0.00 O ATOM 541 OE2 GLU A 114 2.193 -12.797 0.957 1.00 0.00 O ATOM 0 H GLU A 114 5.473 -12.206 4.858 1.00 0.00 H new ATOM 0 HA GLU A 114 6.684 -13.897 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.242 -11.212 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.989 -11.931 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.545 -13.960 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.809 -13.263 3.013 1.00 0.00 H new ATOM 548 N LYS A 115 8.841 -12.538 2.550 1.00 0.00 N ATOM 549 CA LYS A 115 10.139 -11.845 2.605 1.00 0.00 C ATOM 550 C LYS A 115 10.505 -11.260 1.250 1.00 0.00 C ATOM 551 O LYS A 115 11.181 -11.897 0.443 1.00 0.00 O ATOM 552 CB LYS A 115 11.235 -12.823 3.058 1.00 0.00 C ATOM 553 CG LYS A 115 10.991 -14.214 2.431 1.00 0.00 C ATOM 554 CD LYS A 115 10.091 -15.068 3.354 1.00 0.00 C ATOM 555 CE LYS A 115 10.960 -15.860 4.337 1.00 0.00 C ATOM 556 NZ LYS A 115 12.106 -15.013 4.785 1.00 0.00 N ATOM 0 H LYS A 115 8.812 -13.341 1.922 1.00 0.00 H new ATOM 0 HA LYS A 115 10.057 -11.028 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.214 -12.448 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.239 -12.900 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.520 -14.103 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.943 -14.720 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.401 -14.425 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.486 -15.751 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.365 -16.170 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.330 -16.768 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.676 -15.539 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.697 -14.767 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.744 -14.143 5.224 1.00 0.00 H new ATOM 570 N LEU A 116 10.061 -10.031 1.020 1.00 0.00 N ATOM 571 CA LEU A 116 10.350 -9.337 -0.228 1.00 0.00 C ATOM 572 C LEU A 116 11.678 -8.607 -0.118 1.00 0.00 C ATOM 573 O LEU A 116 12.208 -8.418 0.975 1.00 0.00 O ATOM 574 CB LEU A 116 9.256 -8.312 -0.532 1.00 0.00 C ATOM 575 CG LEU A 116 7.978 -9.017 -0.984 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.401 -9.851 0.168 1.00 0.00 C ATOM 577 CD2 LEU A 116 6.963 -7.955 -1.415 1.00 0.00 C ATOM 0 H LEU A 116 9.500 -9.494 1.681 1.00 0.00 H new ATOM 0 HA LEU A 116 10.393 -10.076 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.054 -7.712 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.596 -7.627 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 116 8.199 -9.684 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.490 -10.349 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.132 -10.598 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.171 -9.198 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.044 -8.441 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.746 -7.296 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.375 -7.370 -2.237 1.00 0.00 H new ATOM 589 N THR A 117 12.198 -8.180 -1.260 1.00 0.00 N ATOM 590 CA THR A 117 13.458 -7.445 -1.298 1.00 0.00 C ATOM 591 C THR A 117 13.179 -5.963 -1.506 1.00 0.00 C ATOM 592 O THR A 117 12.049 -5.568 -1.789 1.00 0.00 O ATOM 593 CB THR A 117 14.335 -7.973 -2.432 1.00 0.00 C ATOM 594 OG1 THR A 117 15.633 -7.412 -2.322 1.00 0.00 O ATOM 595 CG2 THR A 117 13.724 -7.589 -3.776 1.00 0.00 C ATOM 0 H THR A 117 11.768 -8.329 -2.173 1.00 0.00 H new ATOM 0 HA THR A 117 13.982 -7.583 -0.352 1.00 0.00 H new ATOM 0 HB THR A 117 14.400 -9.059 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.198 -7.750 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.352 -7.967 -4.583 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.727 -8.021 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.656 -6.504 -3.848 1.00 0.00 H new ATOM 603 N ASP A 118 14.209 -5.151 -1.366 1.00 0.00 N ATOM 604 CA ASP A 118 14.058 -3.723 -1.544 1.00 0.00 C ATOM 605 C ASP A 118 13.582 -3.414 -2.961 1.00 0.00 C ATOM 606 O ASP A 118 12.762 -2.520 -3.171 1.00 0.00 O ATOM 607 CB ASP A 118 15.407 -3.054 -1.298 1.00 0.00 C ATOM 608 CG ASP A 118 16.449 -3.620 -2.258 1.00 0.00 C ATOM 609 OD1 ASP A 118 16.197 -4.674 -2.821 1.00 0.00 O ATOM 610 OD2 ASP A 118 17.483 -2.992 -2.420 1.00 0.00 O ATOM 0 H ASP A 118 15.154 -5.455 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 118 13.318 -3.344 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.319 -1.976 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.722 -3.218 -0.267 1.00 0.00 H new ATOM 615 N GLU A 119 14.129 -4.143 -3.930 1.00 0.00 N ATOM 616 CA GLU A 119 13.795 -3.935 -5.335 1.00 0.00 C ATOM 617 C GLU A 119 12.326 -4.240 -5.637 1.00 0.00 C ATOM 618 O GLU A 119 11.667 -3.468 -6.336 1.00 0.00 O ATOM 619 CB GLU A 119 14.685 -4.824 -6.197 1.00 0.00 C ATOM 620 CG GLU A 119 14.500 -4.457 -7.667 1.00 0.00 C ATOM 621 CD GLU A 119 15.413 -5.316 -8.533 1.00 0.00 C ATOM 622 OE1 GLU A 119 15.079 -6.469 -8.752 1.00 0.00 O ATOM 623 OE2 GLU A 119 16.438 -4.809 -8.961 1.00 0.00 O ATOM 0 H GLU A 119 14.808 -4.886 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 119 13.963 -2.882 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.729 -4.700 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.433 -5.872 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.461 -4.605 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.727 -3.402 -7.819 1.00 0.00 H new ATOM 630 N GLU A 120 11.800 -5.341 -5.098 1.00 0.00 N ATOM 631 CA GLU A 120 10.398 -5.669 -5.324 1.00 0.00 C ATOM 632 C GLU A 120 9.548 -4.611 -4.659 1.00 0.00 C ATOM 633 O GLU A 120 8.600 -4.082 -5.242 1.00 0.00 O ATOM 634 CB GLU A 120 10.055 -7.037 -4.727 1.00 0.00 C ATOM 635 CG GLU A 120 10.652 -8.141 -5.601 1.00 0.00 C ATOM 636 CD GLU A 120 9.828 -8.313 -6.875 1.00 0.00 C ATOM 637 OE1 GLU A 120 8.671 -7.922 -6.872 1.00 0.00 O ATOM 638 OE2 GLU A 120 10.366 -8.837 -7.836 1.00 0.00 O ATOM 0 H GLU A 120 12.312 -6.004 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 120 10.207 -5.704 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.446 -7.111 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.973 -7.156 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.682 -7.894 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.677 -9.079 -5.047 1.00 0.00 H new ATOM 645 N VAL A 121 9.908 -4.311 -3.421 1.00 0.00 N ATOM 646 CA VAL A 121 9.196 -3.316 -2.641 1.00 0.00 C ATOM 647 C VAL A 121 9.239 -1.963 -3.349 1.00 0.00 C ATOM 648 O VAL A 121 8.212 -1.307 -3.513 1.00 0.00 O ATOM 649 CB VAL A 121 9.868 -3.218 -1.265 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.345 -2.003 -0.497 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.576 -4.492 -0.471 1.00 0.00 C ATOM 0 H VAL A 121 10.692 -4.745 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 121 8.151 -3.604 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 121 10.943 -3.104 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.833 -1.950 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.561 -1.096 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.268 -2.096 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.051 -4.428 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.499 -4.603 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.969 -5.354 -1.009 1.00 0.00 H new ATOM 661 N ASP A 122 10.432 -1.564 -3.774 1.00 0.00 N ATOM 662 CA ASP A 122 10.600 -0.296 -4.472 1.00 0.00 C ATOM 663 C ASP A 122 9.903 -0.325 -5.833 1.00 0.00 C ATOM 664 O ASP A 122 9.154 0.590 -6.174 1.00 0.00 O ATOM 665 CB ASP A 122 12.091 -0.013 -4.663 1.00 0.00 C ATOM 666 CG ASP A 122 12.728 0.344 -3.323 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.996 0.700 -2.414 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.941 0.248 -3.223 1.00 0.00 O ATOM 0 H ASP A 122 11.293 -2.097 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 122 10.148 0.493 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.584 -0.887 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.227 0.806 -5.370 1.00 0.00 H new ATOM 673 N GLU A 123 10.169 -1.371 -6.616 1.00 0.00 N ATOM 674 CA GLU A 123 9.576 -1.492 -7.947 1.00 0.00 C ATOM 675 C GLU A 123 8.058 -1.408 -7.871 1.00 0.00 C ATOM 676 O GLU A 123 7.426 -0.696 -8.649 1.00 0.00 O ATOM 677 CB GLU A 123 9.985 -2.828 -8.576 1.00 0.00 C ATOM 678 CG GLU A 123 9.437 -2.923 -10.004 1.00 0.00 C ATOM 679 CD GLU A 123 9.897 -4.224 -10.652 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.389 -5.079 -9.934 1.00 0.00 O ATOM 681 OE2 GLU A 123 9.749 -4.347 -11.857 1.00 0.00 O ATOM 0 H GLU A 123 10.786 -2.140 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 123 9.940 -0.670 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.071 -2.917 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.604 -3.654 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.348 -2.880 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.781 -2.072 -10.592 1.00 0.00 H new ATOM 688 N MET A 124 7.480 -2.125 -6.917 1.00 0.00 N ATOM 689 CA MET A 124 6.035 -2.110 -6.732 1.00 0.00 C ATOM 690 C MET A 124 5.570 -0.716 -6.328 1.00 0.00 C ATOM 691 O MET A 124 4.560 -0.210 -6.817 1.00 0.00 O ATOM 692 CB MET A 124 5.671 -3.122 -5.643 1.00 0.00 C ATOM 693 CG MET A 124 4.208 -2.958 -5.231 1.00 0.00 C ATOM 694 SD MET A 124 3.669 -4.442 -4.343 1.00 0.00 S ATOM 695 CE MET A 124 2.067 -3.816 -3.781 1.00 0.00 C ATOM 0 H MET A 124 7.986 -2.721 -6.262 1.00 0.00 H new ATOM 0 HA MET A 124 5.541 -2.377 -7.666 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.841 -4.135 -6.007 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.317 -2.982 -4.777 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.093 -2.079 -4.597 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.585 -2.800 -6.112 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.558 -4.587 -3.202 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.219 -2.935 -3.157 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.458 -3.548 -4.644 1.00 0.00 H new ATOM 705 N ILE A 125 6.323 -0.119 -5.422 1.00 0.00 N ATOM 706 CA ILE A 125 6.020 1.213 -4.915 1.00 0.00 C ATOM 707 C ILE A 125 6.203 2.276 -6.004 1.00 0.00 C ATOM 708 O ILE A 125 5.345 3.141 -6.180 1.00 0.00 O ATOM 709 CB ILE A 125 6.926 1.475 -3.694 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.355 0.745 -2.454 1.00 0.00 C ATOM 711 CG2 ILE A 125 7.069 2.976 -3.407 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.278 1.593 -1.755 1.00 0.00 C ATOM 0 H ILE A 125 7.159 -0.539 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 125 4.975 1.271 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 125 7.919 1.088 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.929 -0.212 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.161 0.527 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.714 3.121 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.508 3.472 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.087 3.403 -3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.896 1.054 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.713 2.539 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.461 1.788 -2.450 1.00 0.00 H new ATOM 724 N ARG A 126 7.307 2.204 -6.742 1.00 0.00 N ATOM 725 CA ARG A 126 7.555 3.167 -7.814 1.00 0.00 C ATOM 726 C ARG A 126 6.532 2.989 -8.928 1.00 0.00 C ATOM 727 O ARG A 126 6.101 3.954 -9.560 1.00 0.00 O ATOM 728 CB ARG A 126 8.965 2.984 -8.381 1.00 0.00 C ATOM 729 CG ARG A 126 9.991 3.452 -7.351 1.00 0.00 C ATOM 730 CD ARG A 126 11.402 3.216 -7.890 1.00 0.00 C ATOM 731 NE ARG A 126 12.392 3.638 -6.905 1.00 0.00 N ATOM 732 CZ ARG A 126 13.692 3.539 -7.154 1.00 0.00 C ATOM 733 NH1 ARG A 126 14.197 4.099 -8.219 1.00 0.00 N ATOM 734 NH2 ARG A 126 14.465 2.884 -6.332 1.00 0.00 N ATOM 0 H ARG A 126 8.036 1.500 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 126 7.465 4.171 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.135 1.937 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.074 3.553 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.846 4.510 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.853 2.912 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.538 2.160 -8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.542 3.770 -8.818 1.00 0.00 H new ATOM 0 HE ARG A 126 12.080 4.015 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.593 4.613 -8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.196 4.023 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.070 2.448 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.464 2.808 -6.523 1.00 0.00 H new ATOM 748 N GLU A 127 6.149 1.739 -9.154 1.00 0.00 N ATOM 749 CA GLU A 127 5.173 1.407 -10.184 1.00 0.00 C ATOM 750 C GLU A 127 3.780 1.904 -9.784 1.00 0.00 C ATOM 751 O GLU A 127 3.020 2.395 -10.620 1.00 0.00 O ATOM 752 CB GLU A 127 5.153 -0.109 -10.392 1.00 0.00 C ATOM 753 CG GLU A 127 4.244 -0.466 -11.569 1.00 0.00 C ATOM 754 CD GLU A 127 4.863 0.032 -12.869 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.068 0.234 -12.890 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.127 0.202 -13.827 1.00 0.00 O ATOM 0 H GLU A 127 6.501 0.935 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 127 5.456 1.898 -11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.164 -0.471 -10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.800 -0.603 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.100 -1.545 -11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.260 -0.018 -11.429 1.00 0.00 H new ATOM 763 N ALA A 128 3.463 1.781 -8.499 1.00 0.00 N ATOM 764 CA ALA A 128 2.166 2.230 -7.995 1.00 0.00 C ATOM 765 C ALA A 128 2.188 3.743 -7.769 1.00 0.00 C ATOM 766 O ALA A 128 1.139 4.350 -7.578 1.00 0.00 O ATOM 767 CB ALA A 128 1.817 1.511 -6.681 1.00 0.00 C ATOM 0 H ALA A 128 4.078 1.378 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 128 1.405 1.988 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.848 1.859 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.775 0.436 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.580 1.728 -5.934 1.00 0.00 H new ATOM 773 N ASP A 129 3.393 4.343 -7.791 1.00 0.00 N ATOM 774 CA ASP A 129 3.559 5.794 -7.581 1.00 0.00 C ATOM 775 C ASP A 129 3.969 6.493 -8.890 1.00 0.00 C ATOM 776 O ASP A 129 4.877 6.055 -9.595 1.00 0.00 O ATOM 777 CB ASP A 129 4.638 6.068 -6.541 1.00 0.00 C ATOM 778 CG ASP A 129 4.105 5.819 -5.140 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.111 6.434 -4.786 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.699 5.020 -4.440 1.00 0.00 O ATOM 0 H ASP A 129 4.268 3.844 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 129 2.601 6.183 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.501 5.428 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.981 7.099 -6.628 1.00 0.00 H new ATOM 785 N VAL A 130 3.230 7.521 -9.226 1.00 0.00 N ATOM 786 CA VAL A 130 3.383 8.277 -10.471 1.00 0.00 C ATOM 787 C VAL A 130 3.387 9.777 -10.163 1.00 0.00 C ATOM 788 O VAL A 130 3.764 10.611 -10.987 1.00 0.00 O ATOM 789 CB VAL A 130 2.125 7.923 -11.278 1.00 0.00 C ATOM 790 CG1 VAL A 130 2.288 6.545 -11.994 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.981 7.828 -10.235 1.00 0.00 C ATOM 0 H VAL A 130 2.480 7.875 -8.632 1.00 0.00 H new ATOM 0 HA VAL A 130 4.308 8.043 -10.999 1.00 0.00 H new ATOM 0 HB VAL A 130 1.931 8.668 -12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 130 1.383 6.319 -12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 130 3.139 6.587 -12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 130 2.456 5.766 -11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.048 7.577 -10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.218 7.054 -9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.872 8.786 -9.726 1.00 0.00 H new ATOM 801 N ASP A 131 2.987 10.096 -8.923 1.00 0.00 N ATOM 802 CA ASP A 131 2.987 11.471 -8.456 1.00 0.00 C ATOM 803 C ASP A 131 4.307 11.662 -7.742 1.00 0.00 C ATOM 804 O ASP A 131 4.703 12.774 -7.396 1.00 0.00 O ATOM 805 CB ASP A 131 1.833 11.744 -7.486 1.00 0.00 C ATOM 806 CG ASP A 131 1.887 10.759 -6.326 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.715 9.866 -6.371 1.00 0.00 O ATOM 808 OD2 ASP A 131 1.100 10.914 -5.405 1.00 0.00 O ATOM 0 H ASP A 131 2.662 9.416 -8.235 1.00 0.00 H new ATOM 0 HA ASP A 131 2.860 12.157 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.896 12.765 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.880 11.654 -8.007 1.00 0.00 H new ATOM 813 N GLY A 132 4.976 10.529 -7.540 1.00 0.00 N ATOM 814 CA GLY A 132 6.271 10.517 -6.876 1.00 0.00 C ATOM 815 C GLY A 132 6.154 10.898 -5.399 1.00 0.00 C ATOM 816 O GLY A 132 7.156 11.173 -4.740 1.00 0.00 O ATOM 0 H GLY A 132 4.640 9.610 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.715 9.525 -6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.944 11.212 -7.379 1.00 0.00 H new ATOM 820 N ASP A 133 4.924 10.936 -4.900 1.00 0.00 N ATOM 821 CA ASP A 133 4.691 11.304 -3.501 1.00 0.00 C ATOM 822 C ASP A 133 5.514 10.413 -2.577 1.00 0.00 C ATOM 823 O ASP A 133 5.980 10.855 -1.527 1.00 0.00 O ATOM 824 CB ASP A 133 3.209 11.182 -3.148 1.00 0.00 C ATOM 825 CG ASP A 133 2.758 9.737 -3.277 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.463 8.971 -3.914 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.715 9.422 -2.736 1.00 0.00 O ATOM 0 H ASP A 133 4.080 10.720 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 133 4.998 12.341 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.039 11.534 -2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.617 11.816 -3.808 1.00 0.00 H new ATOM 832 N GLY A 134 5.695 9.157 -2.980 1.00 0.00 N ATOM 833 CA GLY A 134 6.475 8.199 -2.191 1.00 0.00 C ATOM 834 C GLY A 134 5.560 7.265 -1.412 1.00 0.00 C ATOM 835 O GLY A 134 6.025 6.389 -0.681 1.00 0.00 O ATOM 0 H GLY A 134 5.314 8.777 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.119 7.617 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.127 8.735 -1.501 1.00 0.00 H new ATOM 839 N GLN A 135 4.259 7.450 -1.584 1.00 0.00 N ATOM 840 CA GLN A 135 3.271 6.618 -0.908 1.00 0.00 C ATOM 841 C GLN A 135 2.102 6.375 -1.838 1.00 0.00 C ATOM 842 O GLN A 135 1.897 7.114 -2.797 1.00 0.00 O ATOM 843 CB GLN A 135 2.758 7.298 0.371 1.00 0.00 C ATOM 844 CG GLN A 135 3.874 8.100 1.029 1.00 0.00 C ATOM 845 CD GLN A 135 4.138 9.377 0.242 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.455 9.652 -0.744 1.00 0.00 O ATOM 847 NE2 GLN A 135 5.094 10.179 0.622 1.00 0.00 N ATOM 0 H GLN A 135 3.861 8.170 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 135 3.745 5.675 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 135 1.922 7.955 0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.384 6.546 1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.599 8.346 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.783 7.500 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.658 9.948 1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.277 11.037 0.101 1.00 0.00 H new ATOM 856 N ILE A 136 1.322 5.348 -1.547 1.00 0.00 N ATOM 857 CA ILE A 136 0.159 5.044 -2.367 1.00 0.00 C ATOM 858 C ILE A 136 -1.060 5.605 -1.664 1.00 0.00 C ATOM 859 O ILE A 136 -1.399 5.177 -0.558 1.00 0.00 O ATOM 860 CB ILE A 136 0.026 3.517 -2.555 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.413 2.909 -2.801 1.00 0.00 C ATOM 862 CG2 ILE A 136 -0.881 3.190 -3.755 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.118 3.652 -3.941 1.00 0.00 C ATOM 0 H ILE A 136 1.469 4.717 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 136 0.259 5.491 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.417 3.097 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 136 2.012 2.969 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.317 1.852 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.960 2.109 -3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.873 3.610 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.454 3.619 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.102 3.213 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 136 1.524 3.569 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.230 4.703 -3.676 1.00 0.00 H new ATOM 875 N ASN A 137 -1.729 6.550 -2.308 1.00 0.00 N ATOM 876 CA ASN A 137 -2.920 7.134 -1.734 1.00 0.00 C ATOM 877 C ASN A 137 -4.049 6.142 -1.955 1.00 0.00 C ATOM 878 O ASN A 137 -3.900 5.217 -2.752 1.00 0.00 O ATOM 879 CB ASN A 137 -3.220 8.480 -2.404 1.00 0.00 C ATOM 880 CG ASN A 137 -1.925 9.248 -2.653 1.00 0.00 C ATOM 881 OD1 ASN A 137 -0.875 8.883 -2.127 1.00 0.00 O ATOM 882 ND2 ASN A 137 -1.934 10.295 -3.436 1.00 0.00 N ATOM 0 H ASN A 137 -1.466 6.923 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.795 7.329 -0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.741 8.316 -3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.884 9.069 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.070 10.809 -3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.805 10.598 -3.872 1.00 0.00 H new ATOM 889 N TYR A 138 -5.152 6.284 -1.249 1.00 0.00 N ATOM 890 CA TYR A 138 -6.232 5.324 -1.414 1.00 0.00 C ATOM 891 C TYR A 138 -6.641 5.198 -2.881 1.00 0.00 C ATOM 892 O TYR A 138 -6.721 4.091 -3.409 1.00 0.00 O ATOM 893 CB TYR A 138 -7.435 5.741 -0.580 1.00 0.00 C ATOM 894 CG TYR A 138 -8.580 4.805 -0.880 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.486 3.458 -0.522 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.724 5.279 -1.528 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.535 2.583 -0.809 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.776 4.406 -1.818 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.684 3.056 -1.457 1.00 0.00 C ATOM 900 OH TYR A 138 -11.725 2.196 -1.740 1.00 0.00 O ATOM 0 H TYR A 138 -5.326 7.029 -0.575 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.872 4.353 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.189 5.708 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.717 6.768 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.601 3.093 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.795 6.321 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.461 1.542 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.659 4.772 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.015 2.327 -2.667 1.00 0.00 H new ATOM 910 N GLU A 139 -6.897 6.323 -3.537 1.00 0.00 N ATOM 911 CA GLU A 139 -7.304 6.291 -4.939 1.00 0.00 C ATOM 912 C GLU A 139 -6.255 5.583 -5.794 1.00 0.00 C ATOM 913 O GLU A 139 -6.588 4.777 -6.656 1.00 0.00 O ATOM 914 CB GLU A 139 -7.514 7.719 -5.448 1.00 0.00 C ATOM 915 CG GLU A 139 -6.175 8.453 -5.462 1.00 0.00 C ATOM 916 CD GLU A 139 -6.392 9.944 -5.678 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.313 10.293 -6.394 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.624 10.717 -5.125 1.00 0.00 O ATOM 0 H GLU A 139 -6.832 7.256 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.239 5.736 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.942 7.701 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.223 8.245 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.652 8.287 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.541 8.052 -6.253 1.00 0.00 H new ATOM 925 N GLU A 140 -4.989 5.892 -5.564 1.00 0.00 N ATOM 926 CA GLU A 140 -3.919 5.276 -6.335 1.00 0.00 C ATOM 927 C GLU A 140 -3.882 3.779 -6.060 1.00 0.00 C ATOM 928 O GLU A 140 -3.613 2.971 -6.950 1.00 0.00 O ATOM 929 CB GLU A 140 -2.590 5.911 -5.943 1.00 0.00 C ATOM 930 CG GLU A 140 -1.513 5.552 -6.967 1.00 0.00 C ATOM 931 CD GLU A 140 -0.233 6.304 -6.639 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.471 5.871 -5.743 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.027 7.300 -7.293 1.00 0.00 O ATOM 0 H GLU A 140 -4.678 6.559 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.096 5.434 -7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.699 6.994 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.291 5.566 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.329 4.478 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.851 5.808 -7.971 1.00 0.00 H new ATOM 940 N PHE A 141 -4.185 3.424 -4.818 1.00 0.00 N ATOM 941 CA PHE A 141 -4.223 2.029 -4.407 1.00 0.00 C ATOM 942 C PHE A 141 -5.322 1.308 -5.169 1.00 0.00 C ATOM 943 O PHE A 141 -5.156 0.172 -5.616 1.00 0.00 O ATOM 944 CB PHE A 141 -4.500 1.934 -2.903 1.00 0.00 C ATOM 945 CG PHE A 141 -4.044 0.588 -2.387 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.678 0.294 -2.342 1.00 0.00 C ATOM 947 CD2 PHE A 141 -4.977 -0.363 -1.947 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.242 -0.941 -1.862 1.00 0.00 C ATOM 949 CE2 PHE A 141 -4.540 -1.595 -1.465 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.171 -1.885 -1.424 1.00 0.00 C ATOM 0 H PHE A 141 -4.409 4.087 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.260 1.566 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.978 2.733 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.564 2.067 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.958 1.025 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.033 -0.140 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.186 -1.166 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.257 -2.326 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.834 -2.841 -1.053 1.00 0.00 H new ATOM 960 N VAL A 142 -6.445 2.001 -5.312 1.00 0.00 N ATOM 961 CA VAL A 142 -7.586 1.460 -6.015 1.00 0.00 C ATOM 962 C VAL A 142 -7.184 1.166 -7.456 1.00 0.00 C ATOM 963 O VAL A 142 -7.502 0.107 -7.997 1.00 0.00 O ATOM 964 CB VAL A 142 -8.744 2.477 -5.964 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.900 2.013 -6.851 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.237 2.631 -4.510 1.00 0.00 C ATOM 0 H VAL A 142 -6.583 2.943 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.919 0.534 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.383 3.438 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.710 2.741 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.554 1.920 -7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.261 1.046 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.055 3.350 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.586 1.667 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.418 2.985 -3.884 1.00 0.00 H new ATOM 976 N LYS A 143 -6.460 2.101 -8.059 1.00 0.00 N ATOM 977 CA LYS A 143 -5.995 1.936 -9.434 1.00 0.00 C ATOM 978 C LYS A 143 -5.072 0.709 -9.543 1.00 0.00 C ATOM 979 O LYS A 143 -5.218 -0.105 -10.457 1.00 0.00 O ATOM 980 CB LYS A 143 -5.233 3.216 -9.862 1.00 0.00 C ATOM 981 CG LYS A 143 -6.142 4.162 -10.667 1.00 0.00 C ATOM 982 CD LYS A 143 -7.231 4.751 -9.765 1.00 0.00 C ATOM 983 CE LYS A 143 -8.067 5.766 -10.552 1.00 0.00 C ATOM 984 NZ LYS A 143 -8.957 5.047 -11.509 1.00 0.00 N ATOM 0 H LYS A 143 -6.182 2.979 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.850 1.779 -10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.859 3.732 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.366 2.942 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -5.547 4.965 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.600 3.620 -11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -7.872 3.955 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -6.777 5.234 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -8.664 6.369 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -7.413 6.450 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.606 5.725 -11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -8.379 4.586 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.507 4.327 -10.998 1.00 0.00 H new ATOM 998 N VAL A 144 -4.128 0.582 -8.609 1.00 0.00 N ATOM 999 CA VAL A 144 -3.199 -0.541 -8.614 1.00 0.00 C ATOM 1000 C VAL A 144 -3.908 -1.851 -8.269 1.00 0.00 C ATOM 1001 O VAL A 144 -3.675 -2.879 -8.902 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.090 -0.286 -7.593 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.144 -1.489 -7.545 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.310 0.976 -7.979 1.00 0.00 C ATOM 0 H VAL A 144 -3.990 1.242 -7.844 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.779 -0.631 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.535 -0.143 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.355 -1.303 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.702 -2.380 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.700 -1.642 -8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.521 1.154 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -0.867 0.842 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.986 1.830 -7.997 1.00 0.00 H new ATOM 1014 N MET A 145 -4.761 -1.800 -7.251 1.00 0.00 N ATOM 1015 CA MET A 145 -5.491 -2.989 -6.813 1.00 0.00 C ATOM 1016 C MET A 145 -6.457 -3.456 -7.899 1.00 0.00 C ATOM 1017 O MET A 145 -6.573 -4.653 -8.163 1.00 0.00 O ATOM 1018 CB MET A 145 -6.270 -2.679 -5.526 1.00 0.00 C ATOM 1019 CG MET A 145 -5.330 -2.618 -4.334 1.00 0.00 C ATOM 1020 SD MET A 145 -4.608 -4.255 -4.020 1.00 0.00 S ATOM 1021 CE MET A 145 -2.880 -3.835 -4.358 1.00 0.00 C ATOM 0 H MET A 145 -4.964 -0.956 -6.716 1.00 0.00 H new ATOM 0 HA MET A 145 -4.772 -3.785 -6.619 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.794 -1.729 -5.632 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.028 -3.445 -5.360 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.538 -1.893 -4.523 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.871 -2.276 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.228 -4.453 -3.740 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.661 -4.016 -5.410 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.709 -2.784 -4.127 1.00 0.00 H new ATOM 1031 N MET A 146 -7.150 -2.507 -8.522 1.00 0.00 N ATOM 1032 CA MET A 146 -8.105 -2.839 -9.574 1.00 0.00 C ATOM 1033 C MET A 146 -7.391 -3.469 -10.767 1.00 0.00 C ATOM 1034 O MET A 146 -7.881 -4.432 -11.356 1.00 0.00 O ATOM 1035 CB MET A 146 -8.851 -1.573 -10.020 1.00 0.00 C ATOM 1036 CG MET A 146 -9.905 -1.191 -8.973 1.00 0.00 C ATOM 1037 SD MET A 146 -11.251 -2.401 -8.988 1.00 0.00 S ATOM 1038 CE MET A 146 -12.228 -1.636 -10.306 1.00 0.00 C ATOM 0 H MET A 146 -7.069 -1.511 -8.319 1.00 0.00 H new ATOM 0 HA MET A 146 -8.822 -3.559 -9.179 1.00 0.00 H new ATOM 0 HB2 MET A 146 -8.145 -0.753 -10.154 1.00 0.00 H new ATOM 0 HB3 MET A 146 -9.329 -1.743 -10.985 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.450 -1.152 -7.983 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.296 -0.196 -9.184 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.133 -2.219 -10.473 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.499 -0.621 -10.016 1.00 0.00 H new ATOM 0 HE3 MET A 146 -11.641 -1.607 -11.224 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.229 -2.919 -11.118 1.00 0.00 N ATOM 1049 CA ALA A 147 -5.458 -3.436 -12.243 1.00 0.00 C ATOM 1050 C ALA A 147 -5.008 -4.868 -11.976 1.00 0.00 C ATOM 1051 O ALA A 147 -4.393 -5.503 -12.830 1.00 0.00 O ATOM 1052 CB ALA A 147 -4.234 -2.552 -12.485 1.00 0.00 C ATOM 0 H ALA A 147 -5.805 -2.122 -10.643 1.00 0.00 H new ATOM 0 HA ALA A 147 -6.095 -3.428 -13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -3.663 -2.944 -13.327 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -4.558 -1.535 -12.708 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -3.608 -2.546 -11.593 1.00 0.00 H new ATOM 1058 N LYS A 148 -5.316 -5.369 -10.779 1.00 0.00 N ATOM 1059 CA LYS A 148 -4.940 -6.733 -10.395 1.00 0.00 C ATOM 1060 C LYS A 148 -6.175 -7.543 -10.027 1.00 0.00 C ATOM 1061 O LYS A 148 -6.835 -8.020 -10.936 1.00 0.00 O ATOM 1062 CB LYS A 148 -3.987 -6.686 -9.200 1.00 0.00 C ATOM 1063 CG LYS A 148 -2.755 -5.844 -9.554 1.00 0.00 C ATOM 1064 CD LYS A 148 -1.876 -6.588 -10.572 1.00 0.00 C ATOM 1065 CE LYS A 148 -0.476 -5.979 -10.579 1.00 0.00 C ATOM 1066 NZ LYS A 148 0.198 -6.283 -9.286 1.00 0.00 N ATOM 1067 OXT LYS A 148 -6.444 -7.678 -8.845 1.00 0.00 O ATOM 0 H LYS A 148 -5.823 -4.854 -10.060 1.00 0.00 H new ATOM 0 HA LYS A 148 -4.446 -7.210 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -4.494 -6.260 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -3.683 -7.696 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.068 -4.884 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.180 -5.632 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -1.822 -7.646 -10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.318 -6.522 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.105 -6.382 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.536 -4.901 -10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 1.227 -6.316 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -0.031 -5.543 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -0.131 -7.204 -8.931 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 0.494 6.012 6.173 1.00 0.00 CA HETATM 1083 CA CA A 234 0.847 8.443 -4.885 1.00 0.00 CA