USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 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 73 GLN : amide:sc= 0.991 X(o=1.2,f=1.3) USER MOD Set 1.2: A 99 TYR OH : rot 91:sc= 0.247 USER MOD Set 2.1: A 34 MET CE :methyl 133:sc= -2.76 (180deg=-2.13!) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -5.47! F(o=-9.2,f=-8.2!) USER MOD Set 3.1: A 15 MET CE :methyl -120:sc= -0.276 (180deg=0) USER MOD Set 3.2: A 87 MET CE :methyl -137:sc= -2.13 (180deg=-6.03!) USER MOD Set 4.1: A 1 MET N :NH3+ -175:sc= 0.574 (180deg=-0.289) USER MOD Set 4.2: A 13 GLN : amide:sc= -4.66! C(o=-4.1!,f=-16!) USER MOD Single : A 1 MET CE :methyl -128:sc= 0 (180deg=-0.0555) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.1!) USER MOD Single : A 16 GLN : amide:sc= -1.37 K(o=-1.4,f=-8.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= -5.04! (180deg=-6.67!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -131:sc= -7.13! (180deg=-12.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 136:sc= -4.27 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -174:sc= -2.64! USER MOD Single : A 55 THR OG1 : rot -173:sc= -0.588 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 113:sc= 1.11 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 101 ASN :FLIP amide:sc= -1.06 F(o=-1.9!,f=-1.1) USER MOD Single : A 102 SER OG : rot -51:sc= -3.02 USER MOD Single : A 107 MET CE :methyl 180:sc= -7.4! (180deg=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.406 -9.258 -3.904 1.00 0.00 N ATOM 2 CA MET A 1 -9.096 -9.103 -2.493 1.00 0.00 C ATOM 3 C MET A 1 -9.157 -10.448 -1.767 1.00 0.00 C ATOM 4 O MET A 1 -8.418 -10.674 -0.809 1.00 0.00 O ATOM 5 CB MET A 1 -10.091 -8.132 -1.855 1.00 0.00 C ATOM 6 CG MET A 1 -9.453 -6.760 -1.632 1.00 0.00 C ATOM 7 SD MET A 1 -10.685 -5.596 -1.069 1.00 0.00 S ATOM 8 CE MET A 1 -10.792 -6.067 0.649 1.00 0.00 C ATOM 0 H1 MET A 1 -9.275 -8.348 -4.390 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.772 -9.968 -4.323 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.393 -9.569 -4.011 1.00 0.00 H new ATOM 0 HA MET A 1 -8.083 -8.709 -2.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.967 -8.030 -2.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.438 -8.535 -0.903 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.652 -6.838 -0.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.002 -6.405 -2.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.834 -6.246 0.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.215 -6.977 0.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.392 -5.266 1.271 1.00 0.00 H new ATOM 18 N ALA A 2 -10.044 -11.305 -2.248 1.00 0.00 N ATOM 19 CA ALA A 2 -10.212 -12.621 -1.657 1.00 0.00 C ATOM 20 C ALA A 2 -10.169 -13.680 -2.761 1.00 0.00 C ATOM 21 O ALA A 2 -11.025 -13.696 -3.645 1.00 0.00 O ATOM 22 CB ALA A 2 -11.518 -12.661 -0.862 1.00 0.00 C ATOM 0 H ALA A 2 -10.655 -11.113 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.401 -12.836 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.644 -13.649 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.487 -11.910 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.356 -12.453 -1.528 1.00 0.00 H new ATOM 28 N LYS A 3 -9.165 -14.539 -2.672 1.00 0.00 N ATOM 29 CA LYS A 3 -8.999 -15.600 -3.652 1.00 0.00 C ATOM 30 C LYS A 3 -8.393 -16.828 -2.970 1.00 0.00 C ATOM 31 O LYS A 3 -7.176 -17.007 -2.972 1.00 0.00 O ATOM 32 CB LYS A 3 -8.189 -15.100 -4.851 1.00 0.00 C ATOM 33 CG LYS A 3 -8.798 -15.589 -6.167 1.00 0.00 C ATOM 34 CD LYS A 3 -8.877 -17.116 -6.200 1.00 0.00 C ATOM 35 CE LYS A 3 -10.329 -17.592 -6.110 1.00 0.00 C ATOM 36 NZ LYS A 3 -10.840 -17.951 -7.452 1.00 0.00 N ATOM 0 H LYS A 3 -8.458 -14.523 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.966 -15.903 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.157 -14.010 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.160 -15.450 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.795 -15.167 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.197 -15.234 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.425 -17.487 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.302 -17.531 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.395 -18.454 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.949 -16.808 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.826 -18.272 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.795 -17.119 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.258 -18.715 -7.852 1.00 0.00 H new ATOM 49 N GLU A 4 -9.271 -17.644 -2.404 1.00 0.00 N ATOM 50 CA GLU A 4 -8.838 -18.850 -1.720 1.00 0.00 C ATOM 51 C GLU A 4 -8.450 -19.926 -2.736 1.00 0.00 C ATOM 52 O GLU A 4 -9.265 -20.782 -3.079 1.00 0.00 O ATOM 53 CB GLU A 4 -9.922 -19.360 -0.768 1.00 0.00 C ATOM 54 CG GLU A 4 -9.344 -20.360 0.236 1.00 0.00 C ATOM 55 CD GLU A 4 -9.915 -20.122 1.637 1.00 0.00 C ATOM 56 OE1 GLU A 4 -10.369 -19.009 1.940 1.00 0.00 O ATOM 57 OE2 GLU A 4 -9.875 -21.144 2.422 1.00 0.00 O ATOM 0 H GLU A 4 -10.280 -17.493 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.959 -18.609 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.367 -18.520 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.720 -19.834 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.571 -21.376 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.258 -20.269 0.261 1.00 0.00 H new ATOM 65 N PHE A 5 -7.209 -19.849 -3.189 1.00 0.00 N ATOM 66 CA PHE A 5 -6.704 -20.805 -4.158 1.00 0.00 C ATOM 67 C PHE A 5 -5.258 -21.194 -3.845 1.00 0.00 C ATOM 68 O PHE A 5 -4.388 -20.330 -3.740 1.00 0.00 O ATOM 69 CB PHE A 5 -6.750 -20.123 -5.527 1.00 0.00 C ATOM 70 CG PHE A 5 -6.949 -21.087 -6.697 1.00 0.00 C ATOM 71 CD1 PHE A 5 -6.679 -22.411 -6.541 1.00 0.00 C ATOM 72 CD2 PHE A 5 -7.397 -20.621 -7.895 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.864 -23.306 -7.628 1.00 0.00 C ATOM 74 CE2 PHE A 5 -7.580 -21.517 -8.981 1.00 0.00 C ATOM 75 CZ PHE A 5 -7.311 -22.840 -8.825 1.00 0.00 C ATOM 0 H PHE A 5 -6.537 -19.138 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.309 -21.711 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.559 -19.392 -5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.822 -19.572 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.324 -22.782 -5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.613 -19.570 -8.019 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.650 -24.357 -7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.933 -21.147 -9.932 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.452 -23.521 -9.651 1.00 0.00 H new ATOM 85 N GLY A 6 -5.045 -22.494 -3.704 1.00 0.00 N ATOM 86 CA GLY A 6 -3.720 -23.007 -3.403 1.00 0.00 C ATOM 87 C GLY A 6 -2.644 -22.217 -4.151 1.00 0.00 C ATOM 88 O GLY A 6 -1.504 -22.129 -3.695 1.00 0.00 O ATOM 0 H GLY A 6 -5.768 -23.208 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.539 -22.949 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.662 -24.060 -3.680 1.00 0.00 H new ATOM 92 N ARG A 7 -3.043 -21.660 -5.285 1.00 0.00 N ATOM 93 CA ARG A 7 -2.127 -20.879 -6.098 1.00 0.00 C ATOM 94 C ARG A 7 -1.525 -19.738 -5.273 1.00 0.00 C ATOM 95 O ARG A 7 -1.854 -19.574 -4.101 1.00 0.00 O ATOM 96 CB ARG A 7 -2.839 -20.295 -7.321 1.00 0.00 C ATOM 97 CG ARG A 7 -2.286 -20.896 -8.615 1.00 0.00 C ATOM 98 CD ARG A 7 -2.316 -19.872 -9.752 1.00 0.00 C ATOM 99 NE ARG A 7 -1.012 -19.853 -10.452 1.00 0.00 N ATOM 100 CZ ARG A 7 -0.771 -19.158 -11.583 1.00 0.00 C ATOM 101 NH1 ARG A 7 -1.744 -18.416 -12.153 1.00 0.00 N ATOM 102 NH2 ARG A 7 0.433 -19.214 -12.124 1.00 0.00 N ATOM 0 H ARG A 7 -3.989 -21.734 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.333 -21.545 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.909 -20.492 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.715 -19.212 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.263 -21.236 -8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.873 -21.771 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.111 -20.120 -10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.539 -18.882 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.248 -20.399 -10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.671 -18.377 -11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.552 -17.894 -13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.163 -19.776 -11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.633 -18.695 -12.979 1.00 0.00 H new ATOM 115 N PRO A 8 -0.630 -18.959 -5.939 1.00 0.00 N ATOM 116 CA PRO A 8 0.020 -17.840 -5.281 1.00 0.00 C ATOM 117 C PRO A 8 -0.942 -16.660 -5.126 1.00 0.00 C ATOM 118 O PRO A 8 -0.544 -15.585 -4.679 1.00 0.00 O ATOM 119 CB PRO A 8 1.222 -17.515 -6.154 1.00 0.00 C ATOM 120 CG PRO A 8 0.941 -18.153 -7.504 1.00 0.00 C ATOM 121 CD PRO A 8 -0.215 -19.124 -7.329 1.00 0.00 C ATOM 0 HA PRO A 8 0.334 -18.075 -4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.354 -16.437 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.139 -17.911 -5.718 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.691 -17.391 -8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.825 -18.674 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.031 -18.897 -8.015 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.095 -20.149 -7.531 1.00 0.00 H new ATOM 129 N GLN A 9 -2.189 -16.901 -5.502 1.00 0.00 N ATOM 130 CA GLN A 9 -3.211 -15.873 -5.409 1.00 0.00 C ATOM 131 C GLN A 9 -3.691 -15.730 -3.965 1.00 0.00 C ATOM 132 O GLN A 9 -3.889 -14.618 -3.479 1.00 0.00 O ATOM 133 CB GLN A 9 -4.380 -16.176 -6.348 1.00 0.00 C ATOM 134 CG GLN A 9 -4.725 -14.956 -7.205 1.00 0.00 C ATOM 135 CD GLN A 9 -4.523 -15.255 -8.692 1.00 0.00 C ATOM 136 OE1 GLN A 9 -4.521 -16.395 -9.128 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.353 -14.171 -9.443 1.00 0.00 N ATOM 0 H GLN A 9 -2.515 -17.794 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.774 -14.925 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.125 -17.017 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.252 -16.474 -5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.760 -14.663 -7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.100 -14.113 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.366 -13.246 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.210 -14.265 -10.449 1.00 0.00 H new ATOM 146 N ARG A 10 -3.865 -16.873 -3.317 1.00 0.00 N ATOM 147 CA ARG A 10 -4.318 -16.888 -1.936 1.00 0.00 C ATOM 148 C ARG A 10 -3.381 -16.058 -1.058 1.00 0.00 C ATOM 149 O ARG A 10 -3.824 -15.158 -0.348 1.00 0.00 O ATOM 150 CB ARG A 10 -4.381 -18.318 -1.394 1.00 0.00 C ATOM 151 CG ARG A 10 -5.208 -18.381 -0.107 1.00 0.00 C ATOM 152 CD ARG A 10 -4.315 -18.235 1.126 1.00 0.00 C ATOM 153 NE ARG A 10 -4.812 -19.104 2.217 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.042 -19.577 3.218 1.00 0.00 C ATOM 155 NH1 ARG A 10 -2.728 -19.271 3.275 1.00 0.00 N ATOM 156 NH2 ARG A 10 -4.592 -20.346 4.140 1.00 0.00 N ATOM 0 H ARG A 10 -3.701 -17.794 -3.722 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.319 -16.456 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.819 -18.976 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.372 -18.682 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.958 -17.590 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.745 -19.329 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.289 -18.503 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.302 -17.196 1.455 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.799 -19.361 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.311 -18.678 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.153 -19.633 4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.585 -20.574 4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.024 -20.712 4.904 1.00 0.00 H new ATOM 169 N VAL A 11 -2.099 -16.389 -1.139 1.00 0.00 N ATOM 170 CA VAL A 11 -1.095 -15.685 -0.361 1.00 0.00 C ATOM 171 C VAL A 11 -1.085 -14.209 -0.766 1.00 0.00 C ATOM 172 O VAL A 11 -0.961 -13.329 0.085 1.00 0.00 O ATOM 173 CB VAL A 11 0.267 -16.361 -0.531 1.00 0.00 C ATOM 174 CG1 VAL A 11 1.135 -15.600 -1.536 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.981 -16.501 0.814 1.00 0.00 C ATOM 0 H VAL A 11 -1.734 -17.135 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.334 -15.729 0.701 1.00 0.00 H new ATOM 0 HB VAL A 11 0.097 -17.363 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.097 -16.101 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.634 -15.575 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.292 -14.581 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.946 -16.984 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.133 -15.514 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.373 -17.105 1.488 1.00 0.00 H new ATOM 185 N ALA A 12 -1.217 -13.984 -2.065 1.00 0.00 N ATOM 186 CA ALA A 12 -1.226 -12.630 -2.592 1.00 0.00 C ATOM 187 C ALA A 12 -2.388 -11.853 -1.973 1.00 0.00 C ATOM 188 O ALA A 12 -2.246 -10.678 -1.637 1.00 0.00 O ATOM 189 CB ALA A 12 -1.305 -12.678 -4.120 1.00 0.00 C ATOM 0 H ALA A 12 -1.319 -14.716 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.305 -12.110 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.312 -11.663 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.441 -13.215 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.218 -13.191 -4.421 1.00 0.00 H new ATOM 195 N GLN A 13 -3.513 -12.539 -1.838 1.00 0.00 N ATOM 196 CA GLN A 13 -4.699 -11.927 -1.263 1.00 0.00 C ATOM 197 C GLN A 13 -4.500 -11.688 0.235 1.00 0.00 C ATOM 198 O GLN A 13 -4.471 -10.544 0.686 1.00 0.00 O ATOM 199 CB GLN A 13 -5.939 -12.786 -1.522 1.00 0.00 C ATOM 200 CG GLN A 13 -6.324 -12.761 -3.002 1.00 0.00 C ATOM 201 CD GLN A 13 -6.215 -11.344 -3.573 1.00 0.00 C ATOM 202 OE1 GLN A 13 -7.165 -10.579 -3.586 1.00 0.00 O ATOM 203 NE2 GLN A 13 -5.009 -11.042 -4.042 1.00 0.00 N ATOM 0 H GLN A 13 -3.629 -13.513 -2.117 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.858 -10.963 -1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.746 -13.812 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.771 -12.421 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.674 -13.434 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.343 -13.128 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.258 -11.731 -4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.834 -10.121 -4.444 1.00 0.00 H new ATOM 212 N GLU A 14 -4.370 -12.786 0.965 1.00 0.00 N ATOM 213 CA GLU A 14 -4.175 -12.711 2.403 1.00 0.00 C ATOM 214 C GLU A 14 -3.265 -11.532 2.754 1.00 0.00 C ATOM 215 O GLU A 14 -3.550 -10.778 3.683 1.00 0.00 O ATOM 216 CB GLU A 14 -3.607 -14.022 2.949 1.00 0.00 C ATOM 217 CG GLU A 14 -4.723 -14.919 3.489 1.00 0.00 C ATOM 218 CD GLU A 14 -4.605 -15.089 5.005 1.00 0.00 C ATOM 219 OE1 GLU A 14 -3.781 -15.886 5.478 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.408 -14.356 5.700 1.00 0.00 O ATOM 0 H GLU A 14 -4.396 -13.733 0.587 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.145 -12.550 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.065 -14.544 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.890 -13.810 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.693 -14.487 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.676 -15.895 3.005 1.00 0.00 H new ATOM 228 N MET A 15 -2.188 -11.408 1.991 1.00 0.00 N ATOM 229 CA MET A 15 -1.235 -10.333 2.210 1.00 0.00 C ATOM 230 C MET A 15 -1.821 -8.986 1.783 1.00 0.00 C ATOM 231 O MET A 15 -1.630 -7.978 2.464 1.00 0.00 O ATOM 232 CB MET A 15 0.040 -10.611 1.411 1.00 0.00 C ATOM 233 CG MET A 15 1.200 -10.979 2.340 1.00 0.00 C ATOM 234 SD MET A 15 2.691 -10.152 1.810 1.00 0.00 S ATOM 235 CE MET A 15 3.694 -10.354 3.273 1.00 0.00 C ATOM 0 H MET A 15 -1.955 -12.034 1.221 1.00 0.00 H new ATOM 0 HA MET A 15 -1.005 -10.287 3.274 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.138 -11.423 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.305 -9.732 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.961 -10.694 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.352 -12.058 2.336 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.971 -9.374 3.663 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.129 -10.899 4.029 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.596 -10.912 3.022 1.00 0.00 H new ATOM 245 N GLN A 16 -2.522 -9.011 0.660 1.00 0.00 N ATOM 246 CA GLN A 16 -3.138 -7.804 0.135 1.00 0.00 C ATOM 247 C GLN A 16 -4.167 -7.257 1.128 1.00 0.00 C ATOM 248 O GLN A 16 -4.355 -6.046 1.227 1.00 0.00 O ATOM 249 CB GLN A 16 -3.776 -8.063 -1.231 1.00 0.00 C ATOM 250 CG GLN A 16 -4.027 -6.752 -1.977 1.00 0.00 C ATOM 251 CD GLN A 16 -5.513 -6.574 -2.292 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.357 -7.357 -1.891 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.785 -5.501 -3.031 1.00 0.00 N ATOM 0 H GLN A 16 -2.678 -9.848 0.098 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.360 -7.053 -0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.125 -8.704 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.717 -8.597 -1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.677 -5.914 -1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.452 -6.741 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.030 -4.886 -3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.748 -5.294 -3.294 1.00 0.00 H new ATOM 262 N LYS A 17 -4.803 -8.176 1.837 1.00 0.00 N ATOM 263 CA LYS A 17 -5.808 -7.803 2.817 1.00 0.00 C ATOM 264 C LYS A 17 -5.115 -7.247 4.063 1.00 0.00 C ATOM 265 O LYS A 17 -5.567 -6.258 4.640 1.00 0.00 O ATOM 266 CB LYS A 17 -6.740 -8.981 3.106 1.00 0.00 C ATOM 267 CG LYS A 17 -8.119 -8.492 3.558 1.00 0.00 C ATOM 268 CD LYS A 17 -8.161 -8.299 5.075 1.00 0.00 C ATOM 269 CE LYS A 17 -8.322 -9.640 5.794 1.00 0.00 C ATOM 270 NZ LYS A 17 -9.755 -9.976 5.949 1.00 0.00 N ATOM 0 H LYS A 17 -4.642 -9.180 1.753 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.447 -7.011 2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.843 -9.595 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.303 -9.614 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.356 -7.551 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.881 -9.212 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.245 -7.811 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.988 -7.639 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.817 -10.425 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.845 -9.594 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.847 -10.889 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.227 -9.235 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.200 -10.040 5.011 1.00 0.00 H new ATOM 283 N GLU A 18 -4.031 -7.907 4.442 1.00 0.00 N ATOM 284 CA GLU A 18 -3.273 -7.490 5.609 1.00 0.00 C ATOM 285 C GLU A 18 -2.594 -6.144 5.350 1.00 0.00 C ATOM 286 O GLU A 18 -2.538 -5.293 6.237 1.00 0.00 O ATOM 287 CB GLU A 18 -2.244 -8.554 6.003 1.00 0.00 C ATOM 288 CG GLU A 18 -1.665 -8.272 7.390 1.00 0.00 C ATOM 289 CD GLU A 18 -2.608 -8.769 8.489 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.648 -8.144 8.744 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.227 -9.847 9.086 1.00 0.00 O ATOM 0 H GLU A 18 -3.660 -8.727 3.962 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.965 -7.371 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.712 -9.538 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.440 -8.577 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.695 -8.760 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.496 -7.201 7.507 1.00 0.00 H new ATOM 299 N ILE A 19 -2.098 -5.991 4.130 1.00 0.00 N ATOM 300 CA ILE A 19 -1.428 -4.763 3.744 1.00 0.00 C ATOM 301 C ILE A 19 -2.474 -3.678 3.479 1.00 0.00 C ATOM 302 O ILE A 19 -2.272 -2.515 3.829 1.00 0.00 O ATOM 303 CB ILE A 19 -0.490 -5.013 2.561 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.264 -5.037 1.243 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.326 -6.291 2.771 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.376 -5.523 0.094 1.00 0.00 C ATOM 0 H ILE A 19 -2.148 -6.698 3.397 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.794 -4.405 4.555 1.00 0.00 H new ATOM 0 HB ILE A 19 0.216 -4.185 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.131 -5.690 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.640 -4.039 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.985 -6.447 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.924 -6.196 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.349 -7.142 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.951 -5.531 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.478 -4.854 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.022 -6.531 0.309 1.00 0.00 H new ATOM 318 N ALA A 20 -3.569 -4.095 2.861 1.00 0.00 N ATOM 319 CA ALA A 20 -4.647 -3.173 2.546 1.00 0.00 C ATOM 320 C ALA A 20 -5.187 -2.563 3.841 1.00 0.00 C ATOM 321 O ALA A 20 -5.612 -1.409 3.857 1.00 0.00 O ATOM 322 CB ALA A 20 -5.730 -3.906 1.751 1.00 0.00 C ATOM 0 H ALA A 20 -3.733 -5.059 2.570 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.282 -2.355 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.539 -3.214 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.303 -4.294 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.121 -4.732 2.345 1.00 0.00 H new ATOM 328 N LEU A 21 -5.153 -3.365 4.893 1.00 0.00 N ATOM 329 CA LEU A 21 -5.633 -2.919 6.191 1.00 0.00 C ATOM 330 C LEU A 21 -4.607 -1.966 6.810 1.00 0.00 C ATOM 331 O LEU A 21 -4.919 -0.810 7.087 1.00 0.00 O ATOM 332 CB LEU A 21 -5.973 -4.118 7.079 1.00 0.00 C ATOM 333 CG LEU A 21 -6.234 -3.808 8.553 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.638 -4.254 8.967 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.153 -4.424 9.443 1.00 0.00 C ATOM 0 H LEU A 21 -4.801 -4.322 4.875 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.562 -2.360 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.856 -4.609 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.153 -4.834 7.018 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.186 -2.727 8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.798 -4.022 10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.379 -3.730 8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.739 -5.328 8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.363 -4.188 10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.145 -5.506 9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.180 -4.017 9.168 1.00 0.00 H new ATOM 347 N ILE A 22 -3.407 -2.489 7.007 1.00 0.00 N ATOM 348 CA ILE A 22 -2.333 -1.699 7.588 1.00 0.00 C ATOM 349 C ILE A 22 -2.069 -0.479 6.705 1.00 0.00 C ATOM 350 O ILE A 22 -1.488 0.505 7.158 1.00 0.00 O ATOM 351 CB ILE A 22 -1.096 -2.569 7.824 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.443 -3.799 8.665 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.038 -1.750 8.445 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.475 -4.949 8.377 1.00 0.00 C ATOM 0 H ILE A 22 -3.153 -3.449 6.775 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.622 -1.325 8.570 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.742 -2.930 6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.405 -3.543 9.724 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.464 -4.115 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.905 -2.391 8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.307 -0.934 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.290 -1.341 9.401 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.743 -5.812 8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.533 -5.218 7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.542 -4.637 8.616 1.00 0.00 H new ATOM 366 N LEU A 23 -2.507 -0.583 5.459 1.00 0.00 N ATOM 367 CA LEU A 23 -2.325 0.499 4.508 1.00 0.00 C ATOM 368 C LEU A 23 -3.470 1.503 4.659 1.00 0.00 C ATOM 369 O LEU A 23 -3.375 2.635 4.185 1.00 0.00 O ATOM 370 CB LEU A 23 -2.174 -0.053 3.089 1.00 0.00 C ATOM 371 CG LEU A 23 -1.969 0.985 1.983 1.00 0.00 C ATOM 372 CD1 LEU A 23 -1.121 0.415 0.845 1.00 0.00 C ATOM 373 CD2 LEU A 23 -3.312 1.523 1.483 1.00 0.00 C ATOM 0 H LEU A 23 -2.988 -1.401 5.086 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.400 1.036 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.328 -0.740 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.063 -0.637 2.851 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.419 1.827 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.991 1.173 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.145 0.119 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.621 -0.455 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.140 2.259 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.908 0.701 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.846 1.992 2.309 1.00 0.00 H new ATOM 385 N GLN A 24 -4.525 1.053 5.320 1.00 0.00 N ATOM 386 CA GLN A 24 -5.687 1.897 5.539 1.00 0.00 C ATOM 387 C GLN A 24 -5.833 2.225 7.027 1.00 0.00 C ATOM 388 O GLN A 24 -6.588 3.123 7.397 1.00 0.00 O ATOM 389 CB GLN A 24 -6.955 1.236 4.997 1.00 0.00 C ATOM 390 CG GLN A 24 -7.351 1.835 3.646 1.00 0.00 C ATOM 391 CD GLN A 24 -8.351 0.934 2.918 1.00 0.00 C ATOM 392 OE1 GLN A 24 -9.331 0.471 3.479 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.051 0.712 1.641 1.00 0.00 N ATOM 0 H GLN A 24 -4.600 0.114 5.712 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.541 2.830 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.793 0.163 4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.770 1.366 5.709 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.788 2.822 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.462 1.970 3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.215 1.130 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.657 0.123 1.070 1.00 0.00 H new ATOM 402 N ARG A 25 -5.097 1.480 7.839 1.00 0.00 N ATOM 403 CA ARG A 25 -5.135 1.680 9.276 1.00 0.00 C ATOM 404 C ARG A 25 -3.861 2.385 9.749 1.00 0.00 C ATOM 405 O ARG A 25 -3.914 3.520 10.221 1.00 0.00 O ATOM 406 CB ARG A 25 -5.273 0.347 10.015 1.00 0.00 C ATOM 407 CG ARG A 25 -6.631 0.246 10.714 1.00 0.00 C ATOM 408 CD ARG A 25 -7.711 -0.246 9.748 1.00 0.00 C ATOM 409 NE ARG A 25 -8.756 0.788 9.586 1.00 0.00 N ATOM 410 CZ ARG A 25 -9.992 0.546 9.100 1.00 0.00 C ATOM 411 NH1 ARG A 25 -10.347 -0.700 8.722 1.00 0.00 N ATOM 412 NH2 ARG A 25 -10.848 1.547 9.000 1.00 0.00 N ATOM 0 H ARG A 25 -4.471 0.737 7.528 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.003 2.300 9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.160 -0.477 9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.474 0.250 10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.558 -0.436 11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.912 1.221 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.266 -0.479 8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.155 -1.167 10.125 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.528 1.744 9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.679 -1.467 8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.283 -0.875 8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.571 2.486 9.288 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.786 1.381 8.635 1.00 0.00 H new ATOM 425 N GLU A 26 -2.746 1.684 9.605 1.00 0.00 N ATOM 426 CA GLU A 26 -1.462 2.228 10.009 1.00 0.00 C ATOM 427 C GLU A 26 -1.148 3.496 9.213 1.00 0.00 C ATOM 428 O GLU A 26 -0.298 4.290 9.613 1.00 0.00 O ATOM 429 CB GLU A 26 -0.350 1.190 9.847 1.00 0.00 C ATOM 430 CG GLU A 26 0.674 1.640 8.804 1.00 0.00 C ATOM 431 CD GLU A 26 1.637 2.673 9.392 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.517 3.032 10.574 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.539 3.105 8.576 1.00 0.00 O ATOM 0 H GLU A 26 -2.706 0.743 9.214 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.518 2.490 11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.147 1.032 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.781 0.234 9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.235 0.778 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.159 2.066 7.943 1.00 0.00 H new ATOM 441 N ILE A 27 -1.851 3.646 8.100 1.00 0.00 N ATOM 442 CA ILE A 27 -1.657 4.805 7.244 1.00 0.00 C ATOM 443 C ILE A 27 -2.452 5.987 7.805 1.00 0.00 C ATOM 444 O ILE A 27 -3.091 5.868 8.849 1.00 0.00 O ATOM 445 CB ILE A 27 -2.006 4.462 5.794 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.833 4.771 4.861 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.289 5.174 5.356 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.286 4.791 3.399 1.00 0.00 C ATOM 0 H ILE A 27 -2.555 2.985 7.771 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.608 5.102 7.235 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.194 3.390 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.399 5.735 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.052 4.023 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.515 4.913 4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.114 4.864 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.152 6.252 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.434 5.013 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.698 3.818 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.050 5.557 3.265 1.00 0.00 H new ATOM 460 N LYS A 28 -2.383 7.098 7.087 1.00 0.00 N ATOM 461 CA LYS A 28 -3.087 8.300 7.500 1.00 0.00 C ATOM 462 C LYS A 28 -4.278 8.535 6.568 1.00 0.00 C ATOM 463 O LYS A 28 -4.267 9.465 5.763 1.00 0.00 O ATOM 464 CB LYS A 28 -2.123 9.486 7.577 1.00 0.00 C ATOM 465 CG LYS A 28 -1.508 9.781 6.207 1.00 0.00 C ATOM 466 CD LYS A 28 -0.064 9.283 6.135 1.00 0.00 C ATOM 467 CE LYS A 28 0.329 8.947 4.696 1.00 0.00 C ATOM 468 NZ LYS A 28 -0.414 9.802 3.742 1.00 0.00 N ATOM 0 H LYS A 28 -1.851 7.191 6.222 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.488 8.179 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.653 10.367 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.333 9.271 8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.101 9.302 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.536 10.854 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.607 10.045 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.051 8.400 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.401 9.090 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.120 7.897 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.156 9.940 2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.313 9.343 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.607 10.725 4.181 1.00 0.00 H new ATOM 481 N ASP A 29 -5.276 7.674 6.707 1.00 0.00 N ATOM 482 CA ASP A 29 -6.471 7.776 5.889 1.00 0.00 C ATOM 483 C ASP A 29 -7.422 8.804 6.505 1.00 0.00 C ATOM 484 O ASP A 29 -7.894 9.709 5.820 1.00 0.00 O ATOM 485 CB ASP A 29 -7.207 6.437 5.817 1.00 0.00 C ATOM 486 CG ASP A 29 -8.714 6.511 6.069 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.174 6.425 7.217 1.00 0.00 O ATOM 488 OD2 ASP A 29 -9.436 6.667 5.012 1.00 0.00 O ATOM 0 H ASP A 29 -5.281 6.903 7.374 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.166 8.075 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.040 6.001 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.765 5.757 6.546 1.00 0.00 H new ATOM 494 N PRO A 30 -7.682 8.624 7.828 1.00 0.00 N ATOM 495 CA PRO A 30 -8.568 9.526 8.546 1.00 0.00 C ATOM 496 C PRO A 30 -7.879 10.863 8.828 1.00 0.00 C ATOM 497 O PRO A 30 -8.462 11.747 9.454 1.00 0.00 O ATOM 498 CB PRO A 30 -8.949 8.776 9.813 1.00 0.00 C ATOM 499 CG PRO A 30 -7.905 7.686 9.981 1.00 0.00 C ATOM 500 CD PRO A 30 -7.143 7.563 8.672 1.00 0.00 C ATOM 0 HA PRO A 30 -9.456 9.789 7.971 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.959 9.444 10.674 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.949 8.350 9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.225 7.932 10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.380 6.739 10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.071 7.685 8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.291 6.583 8.219 1.00 0.00 H new ATOM 508 N ARG A 31 -6.647 10.969 8.351 1.00 0.00 N ATOM 509 CA ARG A 31 -5.873 12.184 8.544 1.00 0.00 C ATOM 510 C ARG A 31 -6.041 13.116 7.342 1.00 0.00 C ATOM 511 O ARG A 31 -6.376 14.289 7.504 1.00 0.00 O ATOM 512 CB ARG A 31 -4.387 11.867 8.731 1.00 0.00 C ATOM 513 CG ARG A 31 -3.805 12.644 9.912 1.00 0.00 C ATOM 514 CD ARG A 31 -2.614 11.904 10.522 1.00 0.00 C ATOM 515 NE ARG A 31 -2.167 12.590 11.754 1.00 0.00 N ATOM 516 CZ ARG A 31 -0.912 12.522 12.248 1.00 0.00 C ATOM 517 NH1 ARG A 31 0.033 11.796 11.615 1.00 0.00 N ATOM 518 NH2 ARG A 31 -0.623 13.176 13.356 1.00 0.00 N ATOM 0 H ARG A 31 -6.166 10.234 7.832 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.244 12.674 9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.258 10.797 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.841 12.118 7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.492 13.634 9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.574 12.790 10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.893 10.875 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.796 11.861 9.803 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.851 13.150 12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.199 11.294 10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.979 11.749 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.343 13.723 13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.320 13.134 13.741 1.00 0.00 H new ATOM 531 N LEU A 32 -5.799 12.559 6.164 1.00 0.00 N ATOM 532 CA LEU A 32 -5.919 13.328 4.936 1.00 0.00 C ATOM 533 C LEU A 32 -7.385 13.706 4.717 1.00 0.00 C ATOM 534 O LEU A 32 -7.683 14.666 4.009 1.00 0.00 O ATOM 535 CB LEU A 32 -5.300 12.562 3.764 1.00 0.00 C ATOM 536 CG LEU A 32 -3.791 12.318 3.844 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.403 11.036 3.105 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.010 13.532 3.337 1.00 0.00 C ATOM 0 H LEU A 32 -5.521 11.586 6.034 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.358 14.259 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.800 11.597 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.511 13.110 2.846 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.523 12.179 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.326 10.886 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.918 10.187 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.688 11.120 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.941 13.331 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.277 13.729 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.255 14.402 3.946 1.00 0.00 H new ATOM 550 N GLY A 33 -8.262 12.930 5.337 1.00 0.00 N ATOM 551 CA GLY A 33 -9.690 13.172 5.219 1.00 0.00 C ATOM 552 C GLY A 33 -10.261 12.486 3.976 1.00 0.00 C ATOM 553 O GLY A 33 -11.212 12.979 3.373 1.00 0.00 O ATOM 0 H GLY A 33 -8.011 12.133 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.200 12.803 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.878 14.244 5.166 1.00 0.00 H new ATOM 557 N MET A 34 -9.656 11.360 3.630 1.00 0.00 N ATOM 558 CA MET A 34 -10.093 10.600 2.470 1.00 0.00 C ATOM 559 C MET A 34 -9.944 9.097 2.711 1.00 0.00 C ATOM 560 O MET A 34 -9.474 8.677 3.768 1.00 0.00 O ATOM 561 CB MET A 34 -9.262 11.008 1.252 1.00 0.00 C ATOM 562 CG MET A 34 -9.657 12.400 0.758 1.00 0.00 C ATOM 563 SD MET A 34 -8.711 13.646 1.620 1.00 0.00 S ATOM 564 CE MET A 34 -7.304 13.776 0.528 1.00 0.00 C ATOM 0 H MET A 34 -8.866 10.955 4.132 1.00 0.00 H new ATOM 0 HA MET A 34 -11.146 10.816 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.203 10.997 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.403 10.281 0.452 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.482 12.477 -0.315 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.722 12.564 0.920 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.090 14.827 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.437 13.309 0.995 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.526 13.271 -0.412 1.00 0.00 H new ATOM 574 N MET A 35 -10.353 8.328 1.713 1.00 0.00 N ATOM 575 CA MET A 35 -10.270 6.880 1.803 1.00 0.00 C ATOM 576 C MET A 35 -9.366 6.313 0.707 1.00 0.00 C ATOM 577 O MET A 35 -9.751 6.269 -0.461 1.00 0.00 O ATOM 578 CB MET A 35 -11.672 6.279 1.669 1.00 0.00 C ATOM 579 CG MET A 35 -11.882 5.147 2.675 1.00 0.00 C ATOM 580 SD MET A 35 -13.088 5.630 3.897 1.00 0.00 S ATOM 581 CE MET A 35 -13.581 4.026 4.500 1.00 0.00 C ATOM 0 H MET A 35 -10.743 8.680 0.838 1.00 0.00 H new ATOM 0 HA MET A 35 -9.843 6.619 2.771 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.421 7.055 1.828 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.814 5.901 0.656 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.217 4.248 2.158 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.938 4.902 3.161 1.00 0.00 H new ATOM 0 HE1 MET A 35 -14.337 4.146 5.276 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.994 3.440 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.714 3.511 4.914 1.00 0.00 H new ATOM 591 N THR A 36 -8.180 5.892 1.122 1.00 0.00 N ATOM 592 CA THR A 36 -7.217 5.329 0.190 1.00 0.00 C ATOM 593 C THR A 36 -7.700 3.971 -0.320 1.00 0.00 C ATOM 594 O THR A 36 -8.478 3.293 0.350 1.00 0.00 O ATOM 595 CB THR A 36 -5.859 5.268 0.894 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.060 4.339 1.956 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.507 6.577 1.604 1.00 0.00 C ATOM 0 H THR A 36 -7.864 5.929 2.091 1.00 0.00 H new ATOM 0 HA THR A 36 -7.111 5.954 -0.697 1.00 0.00 H new ATOM 0 HB THR A 36 -5.083 5.031 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.228 4.238 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.535 6.479 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.471 7.387 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.265 6.798 2.356 1.00 0.00 H new ATOM 605 N THR A 37 -7.218 3.613 -1.501 1.00 0.00 N ATOM 606 CA THR A 37 -7.591 2.346 -2.109 1.00 0.00 C ATOM 607 C THR A 37 -6.344 1.582 -2.557 1.00 0.00 C ATOM 608 O THR A 37 -5.279 2.173 -2.735 1.00 0.00 O ATOM 609 CB THR A 37 -8.567 2.639 -3.252 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.831 2.755 -2.605 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.737 1.448 -4.194 1.00 0.00 C ATOM 0 H THR A 37 -6.573 4.178 -2.053 1.00 0.00 H new ATOM 0 HA THR A 37 -8.092 1.696 -1.392 1.00 0.00 H new ATOM 0 HB THR A 37 -8.217 3.502 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.523 2.947 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.439 1.708 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.773 1.191 -4.633 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.121 0.594 -3.635 1.00 0.00 H new ATOM 619 N VAL A 38 -6.515 0.279 -2.726 1.00 0.00 N ATOM 620 CA VAL A 38 -5.417 -0.571 -3.150 1.00 0.00 C ATOM 621 C VAL A 38 -5.758 -1.202 -4.503 1.00 0.00 C ATOM 622 O VAL A 38 -6.166 -2.361 -4.565 1.00 0.00 O ATOM 623 CB VAL A 38 -5.110 -1.609 -2.067 1.00 0.00 C ATOM 624 CG1 VAL A 38 -6.347 -2.455 -1.754 1.00 0.00 C ATOM 625 CG2 VAL A 38 -3.929 -2.492 -2.473 1.00 0.00 C ATOM 0 H VAL A 38 -7.398 -0.208 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.509 0.017 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.831 -1.075 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.103 -3.185 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.150 -1.808 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.670 -2.975 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.732 -3.220 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.167 -3.014 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.045 -1.872 -2.623 1.00 0.00 H new ATOM 635 N SER A 39 -5.579 -0.410 -5.549 1.00 0.00 N ATOM 636 CA SER A 39 -5.862 -0.876 -6.896 1.00 0.00 C ATOM 637 C SER A 39 -4.598 -1.473 -7.521 1.00 0.00 C ATOM 638 O SER A 39 -4.391 -1.372 -8.729 1.00 0.00 O ATOM 639 CB SER A 39 -6.400 0.259 -7.771 1.00 0.00 C ATOM 640 OG SER A 39 -7.714 -0.014 -8.250 1.00 0.00 O ATOM 0 H SER A 39 -5.242 0.551 -5.492 1.00 0.00 H new ATOM 0 HA SER A 39 -6.630 -1.648 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.408 1.186 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.730 0.413 -8.617 1.00 0.00 H new ATOM 0 HG SER A 39 -8.023 0.734 -8.803 1.00 0.00 H new ATOM 646 N GLY A 40 -3.788 -2.084 -6.668 1.00 0.00 N ATOM 647 CA GLY A 40 -2.551 -2.698 -7.122 1.00 0.00 C ATOM 648 C GLY A 40 -1.795 -3.331 -5.952 1.00 0.00 C ATOM 649 O GLY A 40 -1.657 -2.723 -4.892 1.00 0.00 O ATOM 0 H GLY A 40 -3.964 -2.167 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.771 -3.458 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.923 -1.948 -7.603 1.00 0.00 H new ATOM 653 N VAL A 41 -1.323 -4.548 -6.185 1.00 0.00 N ATOM 654 CA VAL A 41 -0.583 -5.272 -5.165 1.00 0.00 C ATOM 655 C VAL A 41 0.436 -6.194 -5.838 1.00 0.00 C ATOM 656 O VAL A 41 0.072 -7.031 -6.663 1.00 0.00 O ATOM 657 CB VAL A 41 -1.553 -6.020 -4.249 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.574 -6.816 -5.063 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.797 -6.931 -3.279 1.00 0.00 C ATOM 0 H VAL A 41 -1.439 -5.050 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.027 -4.580 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.097 -5.280 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.251 -7.338 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.145 -6.136 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.054 -7.542 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.509 -7.452 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.216 -7.660 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.127 -6.331 -2.663 1.00 0.00 H new ATOM 669 N GLU A 42 1.693 -6.009 -5.460 1.00 0.00 N ATOM 670 CA GLU A 42 2.768 -6.813 -6.018 1.00 0.00 C ATOM 671 C GLU A 42 3.697 -7.302 -4.903 1.00 0.00 C ATOM 672 O GLU A 42 4.182 -6.504 -4.102 1.00 0.00 O ATOM 673 CB GLU A 42 3.545 -6.032 -7.077 1.00 0.00 C ATOM 674 CG GLU A 42 2.601 -5.435 -8.122 1.00 0.00 C ATOM 675 CD GLU A 42 2.879 -6.017 -9.510 1.00 0.00 C ATOM 676 OE1 GLU A 42 3.979 -5.828 -10.050 1.00 0.00 O ATOM 677 OE2 GLU A 42 1.906 -6.688 -10.026 1.00 0.00 O ATOM 0 H GLU A 42 1.991 -5.315 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 42 2.329 -7.683 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.116 -5.235 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.263 -6.691 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.567 -5.636 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.720 -4.352 -8.148 1.00 0.00 H new ATOM 685 N MET A 43 3.915 -8.608 -4.890 1.00 0.00 N ATOM 686 CA MET A 43 4.778 -9.211 -3.888 1.00 0.00 C ATOM 687 C MET A 43 5.783 -10.166 -4.532 1.00 0.00 C ATOM 688 O MET A 43 5.419 -11.260 -4.964 1.00 0.00 O ATOM 689 CB MET A 43 3.925 -9.976 -2.873 1.00 0.00 C ATOM 690 CG MET A 43 2.464 -9.525 -2.935 1.00 0.00 C ATOM 691 SD MET A 43 1.638 -9.922 -1.403 1.00 0.00 S ATOM 692 CE MET A 43 0.797 -8.378 -1.096 1.00 0.00 C ATOM 0 H MET A 43 3.510 -9.265 -5.556 1.00 0.00 H new ATOM 0 HA MET A 43 5.331 -8.416 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.988 -11.046 -3.072 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.317 -9.815 -1.869 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.413 -8.452 -3.118 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.959 -10.014 -3.768 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.979 -8.062 -0.069 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.171 -7.617 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.274 -8.510 -1.250 1.00 0.00 H new ATOM 702 N SER A 44 7.029 -9.719 -4.582 1.00 0.00 N ATOM 703 CA SER A 44 8.090 -10.520 -5.168 1.00 0.00 C ATOM 704 C SER A 44 9.111 -10.903 -4.094 1.00 0.00 C ATOM 705 O SER A 44 9.860 -10.054 -3.614 1.00 0.00 O ATOM 706 CB SER A 44 8.779 -9.773 -6.310 1.00 0.00 C ATOM 707 OG SER A 44 8.214 -10.097 -7.579 1.00 0.00 O ATOM 0 H SER A 44 7.328 -8.811 -4.226 1.00 0.00 H new ATOM 0 HA SER A 44 7.645 -11.426 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.699 -8.699 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.841 -10.017 -6.313 1.00 0.00 H new ATOM 0 HG SER A 44 8.681 -9.598 -8.282 1.00 0.00 H new ATOM 713 N ARG A 45 9.107 -12.182 -3.748 1.00 0.00 N ATOM 714 CA ARG A 45 10.023 -12.687 -2.740 1.00 0.00 C ATOM 715 C ARG A 45 11.192 -13.418 -3.404 1.00 0.00 C ATOM 716 O ARG A 45 12.035 -13.997 -2.721 1.00 0.00 O ATOM 717 CB ARG A 45 9.312 -13.644 -1.781 1.00 0.00 C ATOM 718 CG ARG A 45 8.434 -12.875 -0.790 1.00 0.00 C ATOM 719 CD ARG A 45 6.957 -12.971 -1.177 1.00 0.00 C ATOM 720 NE ARG A 45 6.546 -14.390 -1.257 1.00 0.00 N ATOM 721 CZ ARG A 45 5.376 -14.810 -1.784 1.00 0.00 C ATOM 722 NH1 ARG A 45 4.492 -13.922 -2.283 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.111 -16.103 -1.803 1.00 0.00 N ATOM 0 H ARG A 45 8.484 -12.884 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 45 10.397 -11.834 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.699 -14.344 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.050 -14.234 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.577 -13.274 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.739 -11.829 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.345 -12.448 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.791 -12.481 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 45 7.186 -15.095 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.705 -12.925 -2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.610 -14.248 -2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.785 -16.767 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.232 -16.438 -2.197 1.00 0.00 H new ATOM 736 N ASP A 46 11.204 -13.368 -4.727 1.00 0.00 N ATOM 737 CA ASP A 46 12.256 -14.018 -5.492 1.00 0.00 C ATOM 738 C ASP A 46 13.617 -13.623 -4.917 1.00 0.00 C ATOM 739 O ASP A 46 14.560 -14.412 -4.944 1.00 0.00 O ATOM 740 CB ASP A 46 12.219 -13.585 -6.959 1.00 0.00 C ATOM 741 CG ASP A 46 11.341 -14.450 -7.866 1.00 0.00 C ATOM 742 OD1 ASP A 46 10.658 -15.374 -7.402 1.00 0.00 O ATOM 743 OD2 ASP A 46 11.377 -14.136 -9.117 1.00 0.00 O ATOM 0 H ASP A 46 10.502 -12.887 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 46 12.101 -15.095 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.864 -12.556 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.236 -13.591 -7.350 1.00 0.00 H new ATOM 749 N LEU A 47 13.677 -12.401 -4.407 1.00 0.00 N ATOM 750 CA LEU A 47 14.906 -11.891 -3.826 1.00 0.00 C ATOM 751 C LEU A 47 14.572 -11.048 -2.593 1.00 0.00 C ATOM 752 O LEU A 47 14.996 -11.368 -1.484 1.00 0.00 O ATOM 753 CB LEU A 47 15.726 -11.143 -4.878 1.00 0.00 C ATOM 754 CG LEU A 47 16.750 -11.980 -5.649 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.215 -12.362 -7.031 1.00 0.00 C ATOM 756 CD2 LEU A 47 18.095 -11.257 -5.737 1.00 0.00 C ATOM 0 H LEU A 47 12.893 -11.749 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 47 15.537 -12.713 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.038 -10.695 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.251 -10.324 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 47 16.917 -12.906 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.961 -12.956 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.300 -12.944 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.002 -11.458 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.804 -11.874 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.963 -10.305 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.477 -11.076 -4.732 1.00 0.00 H new ATOM 768 N ALA A 48 13.814 -9.988 -2.830 1.00 0.00 N ATOM 769 CA ALA A 48 13.417 -9.095 -1.753 1.00 0.00 C ATOM 770 C ALA A 48 12.964 -7.759 -2.345 1.00 0.00 C ATOM 771 O ALA A 48 13.681 -6.763 -2.256 1.00 0.00 O ATOM 772 CB ALA A 48 14.578 -8.935 -0.770 1.00 0.00 C ATOM 0 H ALA A 48 13.464 -9.727 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 48 12.576 -9.511 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.281 -8.266 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.841 -9.908 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.440 -8.517 -1.290 1.00 0.00 H new ATOM 778 N TYR A 49 11.778 -7.780 -2.934 1.00 0.00 N ATOM 779 CA TYR A 49 11.222 -6.582 -3.539 1.00 0.00 C ATOM 780 C TYR A 49 9.721 -6.742 -3.790 1.00 0.00 C ATOM 781 O TYR A 49 9.282 -7.759 -4.326 1.00 0.00 O ATOM 782 CB TYR A 49 11.937 -6.416 -4.881 1.00 0.00 C ATOM 783 CG TYR A 49 12.391 -7.736 -5.510 1.00 0.00 C ATOM 784 CD1 TYR A 49 11.627 -8.875 -5.354 1.00 0.00 C ATOM 785 CD2 TYR A 49 13.566 -7.786 -6.235 1.00 0.00 C ATOM 786 CE1 TYR A 49 12.056 -10.115 -5.947 1.00 0.00 C ATOM 787 CE2 TYR A 49 13.994 -9.027 -6.826 1.00 0.00 C ATOM 788 CZ TYR A 49 13.217 -10.130 -6.654 1.00 0.00 C ATOM 789 OH TYR A 49 13.621 -11.301 -7.213 1.00 0.00 O ATOM 0 H TYR A 49 11.186 -8.608 -3.005 1.00 0.00 H new ATOM 0 HA TYR A 49 11.359 -5.722 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.271 -5.904 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.806 -5.774 -4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.708 -8.836 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.163 -6.895 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.468 -11.014 -5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.911 -9.081 -7.393 1.00 0.00 H new ATOM 0 HH TYR A 49 13.932 -11.137 -8.128 1.00 0.00 H new ATOM 799 N ALA A 50 8.975 -5.722 -3.392 1.00 0.00 N ATOM 800 CA ALA A 50 7.533 -5.735 -3.567 1.00 0.00 C ATOM 801 C ALA A 50 7.075 -4.375 -4.099 1.00 0.00 C ATOM 802 O ALA A 50 7.826 -3.403 -4.055 1.00 0.00 O ATOM 803 CB ALA A 50 6.860 -6.101 -2.243 1.00 0.00 C ATOM 0 H ALA A 50 9.343 -4.880 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 50 7.243 -6.489 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.778 -6.110 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.195 -7.088 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.126 -5.365 -1.484 1.00 0.00 H new ATOM 809 N LYS A 51 5.843 -4.350 -4.586 1.00 0.00 N ATOM 810 CA LYS A 51 5.276 -3.126 -5.125 1.00 0.00 C ATOM 811 C LYS A 51 3.799 -3.038 -4.733 1.00 0.00 C ATOM 812 O LYS A 51 2.966 -3.760 -5.278 1.00 0.00 O ATOM 813 CB LYS A 51 5.518 -3.041 -6.633 1.00 0.00 C ATOM 814 CG LYS A 51 6.649 -3.979 -7.060 1.00 0.00 C ATOM 815 CD LYS A 51 6.963 -3.818 -8.550 1.00 0.00 C ATOM 816 CE LYS A 51 8.381 -3.286 -8.757 1.00 0.00 C ATOM 817 NZ LYS A 51 9.197 -4.266 -9.509 1.00 0.00 N ATOM 0 H LYS A 51 5.222 -5.158 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 51 5.773 -2.255 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.604 -3.301 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.767 -2.016 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.542 -3.769 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.367 -5.012 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.854 -4.778 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.245 -3.136 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.346 -2.341 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.844 -3.083 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.157 -3.889 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.245 -5.158 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.762 -4.440 -10.438 1.00 0.00 H new ATOM 830 N VAL A 52 3.522 -2.147 -3.793 1.00 0.00 N ATOM 831 CA VAL A 52 2.160 -1.955 -3.323 1.00 0.00 C ATOM 832 C VAL A 52 1.597 -0.663 -3.917 1.00 0.00 C ATOM 833 O VAL A 52 2.255 0.376 -3.886 1.00 0.00 O ATOM 834 CB VAL A 52 2.128 -1.973 -1.792 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.952 -1.153 -1.259 1.00 0.00 C ATOM 836 CG2 VAL A 52 2.081 -3.408 -1.262 1.00 0.00 C ATOM 0 H VAL A 52 4.217 -1.550 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 52 1.521 -2.772 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 52 3.048 -1.513 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.952 -1.182 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.047 -0.120 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.018 -1.571 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.059 -3.393 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.186 -3.905 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.965 -3.950 -1.600 1.00 0.00 H new ATOM 846 N TYR A 53 0.386 -0.770 -4.445 1.00 0.00 N ATOM 847 CA TYR A 53 -0.273 0.378 -5.045 1.00 0.00 C ATOM 848 C TYR A 53 -1.202 1.064 -4.041 1.00 0.00 C ATOM 849 O TYR A 53 -1.734 0.416 -3.140 1.00 0.00 O ATOM 850 CB TYR A 53 -1.108 -0.172 -6.202 1.00 0.00 C ATOM 851 CG TYR A 53 -1.676 0.904 -7.127 1.00 0.00 C ATOM 852 CD1 TYR A 53 -2.901 1.478 -6.846 1.00 0.00 C ATOM 853 CD2 TYR A 53 -0.968 1.303 -8.241 1.00 0.00 C ATOM 854 CE1 TYR A 53 -3.437 2.492 -7.716 1.00 0.00 C ATOM 855 CE2 TYR A 53 -1.504 2.318 -9.111 1.00 0.00 C ATOM 856 CZ TYR A 53 -2.711 2.862 -8.806 1.00 0.00 C ATOM 857 OH TYR A 53 -3.218 3.820 -9.628 1.00 0.00 O ATOM 0 H TYR A 53 -0.156 -1.634 -4.470 1.00 0.00 H new ATOM 0 HA TYR A 53 0.461 1.114 -5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.492 -0.853 -6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.932 -0.758 -5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.456 1.166 -5.974 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.011 0.854 -8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.393 2.949 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.959 2.639 -9.986 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.644 3.911 -10.417 1.00 0.00 H new ATOM 867 N VAL A 54 -1.371 2.364 -4.231 1.00 0.00 N ATOM 868 CA VAL A 54 -2.227 3.144 -3.355 1.00 0.00 C ATOM 869 C VAL A 54 -2.751 4.364 -4.114 1.00 0.00 C ATOM 870 O VAL A 54 -1.969 5.157 -4.637 1.00 0.00 O ATOM 871 CB VAL A 54 -1.470 3.513 -2.078 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.644 2.435 -1.005 1.00 0.00 C ATOM 873 CG2 VAL A 54 0.010 3.763 -2.371 1.00 0.00 C ATOM 0 H VAL A 54 -0.929 2.897 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.093 2.558 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.896 4.439 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.096 2.723 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.702 2.328 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.259 1.486 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.525 4.024 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.455 2.862 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.107 4.582 -3.083 1.00 0.00 H new ATOM 883 N THR A 55 -4.070 4.477 -4.152 1.00 0.00 N ATOM 884 CA THR A 55 -4.708 5.587 -4.838 1.00 0.00 C ATOM 885 C THR A 55 -5.459 6.472 -3.840 1.00 0.00 C ATOM 886 O THR A 55 -6.203 5.970 -2.999 1.00 0.00 O ATOM 887 CB THR A 55 -5.605 5.012 -5.935 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.740 5.873 -5.942 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.179 3.643 -5.566 1.00 0.00 C ATOM 0 H THR A 55 -4.715 3.817 -3.718 1.00 0.00 H new ATOM 0 HA THR A 55 -3.970 6.237 -5.309 1.00 0.00 H new ATOM 0 HB THR A 55 -5.036 4.929 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.422 5.511 -6.546 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.808 3.281 -6.379 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.363 2.940 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.775 3.731 -4.658 1.00 0.00 H new ATOM 897 N PHE A 56 -5.236 7.772 -3.966 1.00 0.00 N ATOM 898 CA PHE A 56 -5.883 8.730 -3.086 1.00 0.00 C ATOM 899 C PHE A 56 -6.609 9.810 -3.890 1.00 0.00 C ATOM 900 O PHE A 56 -6.452 9.893 -5.108 1.00 0.00 O ATOM 901 CB PHE A 56 -4.780 9.386 -2.253 1.00 0.00 C ATOM 902 CG PHE A 56 -3.779 8.395 -1.656 1.00 0.00 C ATOM 903 CD1 PHE A 56 -2.966 7.673 -2.473 1.00 0.00 C ATOM 904 CD2 PHE A 56 -3.701 8.237 -0.307 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.038 6.755 -1.918 1.00 0.00 C ATOM 906 CE2 PHE A 56 -2.772 7.318 0.247 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.959 6.595 -0.570 1.00 0.00 C ATOM 0 H PHE A 56 -4.617 8.184 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.619 8.224 -2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.242 10.098 -2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.239 9.955 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.027 7.799 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.346 8.811 0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.393 6.182 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.710 7.193 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.252 5.895 -0.149 1.00 0.00 H new ATOM 917 N LEU A 57 -7.388 10.611 -3.177 1.00 0.00 N ATOM 918 CA LEU A 57 -8.139 11.682 -3.810 1.00 0.00 C ATOM 919 C LEU A 57 -7.525 13.028 -3.419 1.00 0.00 C ATOM 920 O LEU A 57 -8.113 14.080 -3.671 1.00 0.00 O ATOM 921 CB LEU A 57 -9.627 11.564 -3.474 1.00 0.00 C ATOM 922 CG LEU A 57 -10.590 12.233 -4.455 1.00 0.00 C ATOM 923 CD1 LEU A 57 -10.498 11.589 -5.841 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.022 12.222 -3.913 1.00 0.00 C ATOM 0 H LEU A 57 -7.515 10.540 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.074 11.604 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.882 10.506 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.791 11.992 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.294 13.276 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.193 12.084 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.483 11.692 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.753 10.532 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.686 12.704 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.344 11.192 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.057 12.762 -2.967 1.00 0.00 H new ATOM 936 N ASN A 58 -6.352 12.953 -2.808 1.00 0.00 N ATOM 937 CA ASN A 58 -5.652 14.152 -2.379 1.00 0.00 C ATOM 938 C ASN A 58 -5.595 15.146 -3.541 1.00 0.00 C ATOM 939 O ASN A 58 -5.508 16.355 -3.326 1.00 0.00 O ATOM 940 CB ASN A 58 -4.217 13.833 -1.960 1.00 0.00 C ATOM 941 CG ASN A 58 -4.083 13.810 -0.436 1.00 0.00 C ATOM 942 OD1 ASN A 58 -4.628 14.861 0.171 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 -3.525 12.898 0.151 1.00 0.00 N flip ATOM 0 H ASN A 58 -5.868 12.080 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.191 14.571 -1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.921 12.867 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.539 14.577 -2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.128 12.120 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.456 12.913 1.169 1.00 0.00 H new ATOM 950 N ASP A 59 -5.645 14.600 -4.748 1.00 0.00 N ATOM 951 CA ASP A 59 -5.600 15.424 -5.943 1.00 0.00 C ATOM 952 C ASP A 59 -6.437 16.684 -5.722 1.00 0.00 C ATOM 953 O ASP A 59 -6.032 17.781 -6.106 1.00 0.00 O ATOM 954 CB ASP A 59 -6.178 14.679 -7.148 1.00 0.00 C ATOM 955 CG ASP A 59 -6.400 15.538 -8.395 1.00 0.00 C ATOM 956 OD1 ASP A 59 -7.534 15.693 -8.869 1.00 0.00 O ATOM 957 OD2 ASP A 59 -5.332 16.067 -8.890 1.00 0.00 O ATOM 0 H ASP A 59 -5.716 13.598 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.558 15.675 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.507 13.859 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.130 14.233 -6.858 1.00 0.00 H new ATOM 963 N LYS A 60 -7.593 16.487 -5.103 1.00 0.00 N ATOM 964 CA LYS A 60 -8.492 17.595 -4.825 1.00 0.00 C ATOM 965 C LYS A 60 -7.675 18.815 -4.396 1.00 0.00 C ATOM 966 O LYS A 60 -7.957 19.936 -4.819 1.00 0.00 O ATOM 967 CB LYS A 60 -9.555 17.179 -3.807 1.00 0.00 C ATOM 968 CG LYS A 60 -10.873 16.829 -4.503 1.00 0.00 C ATOM 969 CD LYS A 60 -11.682 15.830 -3.673 1.00 0.00 C ATOM 970 CE LYS A 60 -12.427 16.535 -2.540 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.532 15.689 -2.039 1.00 0.00 N ATOM 0 H LYS A 60 -7.927 15.577 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.038 17.877 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.201 16.320 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.719 17.988 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.458 17.735 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.668 16.408 -5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.395 15.312 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.016 15.072 -3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.736 16.759 -1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.822 17.487 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.027 16.184 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.200 15.496 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.147 14.791 -1.682 1.00 0.00 H new ATOM 984 N ASP A 61 -6.676 18.556 -3.565 1.00 0.00 N ATOM 985 CA ASP A 61 -5.816 19.619 -3.074 1.00 0.00 C ATOM 986 C ASP A 61 -4.354 19.235 -3.311 1.00 0.00 C ATOM 987 O ASP A 61 -3.866 18.255 -2.751 1.00 0.00 O ATOM 988 CB ASP A 61 -6.010 19.837 -1.572 1.00 0.00 C ATOM 989 CG ASP A 61 -7.355 19.361 -1.019 1.00 0.00 C ATOM 990 OD1 ASP A 61 -7.437 18.320 -0.350 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.360 20.119 -1.302 1.00 0.00 O ATOM 0 H ASP A 61 -6.443 17.625 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.074 20.534 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.212 19.321 -1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.901 20.900 -1.357 1.00 0.00 H new ATOM 997 N GLU A 62 -3.695 20.030 -4.143 1.00 0.00 N ATOM 998 CA GLU A 62 -2.298 19.786 -4.461 1.00 0.00 C ATOM 999 C GLU A 62 -1.425 20.007 -3.223 1.00 0.00 C ATOM 1000 O GLU A 62 -0.293 19.529 -3.164 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.838 20.670 -5.622 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.679 20.019 -6.380 1.00 0.00 C ATOM 1003 CD GLU A 62 0.358 21.064 -6.798 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.699 21.157 -7.987 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.812 21.797 -5.838 1.00 0.00 O ATOM 0 H GLU A 62 -4.103 20.843 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.193 18.747 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.671 20.844 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.528 21.643 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.207 19.264 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.060 19.506 -7.263 1.00 0.00 H new ATOM 1013 N ASP A 63 -1.986 20.730 -2.266 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.273 21.020 -1.032 1.00 0.00 C ATOM 1015 C ASP A 63 -1.214 19.756 -0.173 1.00 0.00 C ATOM 1016 O ASP A 63 -0.172 19.437 0.397 1.00 0.00 O ATOM 1017 CB ASP A 63 -1.985 22.108 -0.227 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.083 23.235 0.279 1.00 0.00 C ATOM 1019 OD1 ASP A 63 0.042 23.418 -0.206 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.586 23.952 1.226 1.00 0.00 O ATOM 0 H ASP A 63 -2.925 21.124 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.272 21.363 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.770 22.542 -0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.475 21.643 0.629 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.346 19.071 -0.108 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.436 17.848 0.673 1.00 0.00 C ATOM 1028 C ALA A 64 -1.851 16.689 -0.135 1.00 0.00 C ATOM 1029 O ALA A 64 -1.495 15.654 0.426 1.00 0.00 O ATOM 1030 CB ALA A 64 -3.892 17.604 1.072 1.00 0.00 C ATOM 0 H ALA A 64 -3.208 19.339 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.856 17.935 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.960 16.687 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.251 18.443 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.504 17.508 0.175 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.770 16.899 -1.441 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.236 15.884 -2.332 1.00 0.00 C ATOM 1038 C VAL A 65 0.288 15.841 -2.191 1.00 0.00 C ATOM 1039 O VAL A 65 0.878 14.763 -2.126 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.695 16.151 -3.767 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.548 16.703 -4.616 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.287 14.888 -4.396 1.00 0.00 C ATOM 0 H VAL A 65 -2.066 17.759 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.618 14.899 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.479 16.907 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.901 16.884 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.192 17.638 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.268 15.981 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.606 15.104 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.533 14.101 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.145 14.558 -3.810 1.00 0.00 H new ATOM 1052 N LYS A 66 0.881 17.024 -2.148 1.00 0.00 N ATOM 1053 CA LYS A 66 2.323 17.134 -2.015 1.00 0.00 C ATOM 1054 C LYS A 66 2.726 16.812 -0.575 1.00 0.00 C ATOM 1055 O LYS A 66 3.615 15.995 -0.343 1.00 0.00 O ATOM 1056 CB LYS A 66 2.803 18.506 -2.496 1.00 0.00 C ATOM 1057 CG LYS A 66 4.312 18.505 -2.740 1.00 0.00 C ATOM 1058 CD LYS A 66 4.868 19.930 -2.754 1.00 0.00 C ATOM 1059 CE LYS A 66 4.748 20.550 -4.148 1.00 0.00 C ATOM 1060 NZ LYS A 66 5.697 21.677 -4.296 1.00 0.00 N ATOM 0 H LYS A 66 0.389 17.916 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 66 2.820 16.405 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.283 18.775 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.552 19.264 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.809 17.925 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.530 18.017 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.328 20.542 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.913 19.920 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.950 19.795 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.729 20.901 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.603 22.087 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.486 22.404 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.669 21.332 -4.162 1.00 0.00 H new ATOM 1073 N ALA A 67 2.049 17.470 0.355 1.00 0.00 N ATOM 1074 CA ALA A 67 2.326 17.265 1.767 1.00 0.00 C ATOM 1075 C ALA A 67 1.948 15.833 2.152 1.00 0.00 C ATOM 1076 O ALA A 67 2.739 15.123 2.771 1.00 0.00 O ATOM 1077 CB ALA A 67 1.571 18.310 2.592 1.00 0.00 C ATOM 0 H ALA A 67 1.310 18.145 0.159 1.00 0.00 H new ATOM 0 HA ALA A 67 3.389 17.393 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.778 18.157 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.896 19.309 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.500 18.210 2.414 1.00 0.00 H new ATOM 1083 N GLY A 68 0.738 15.450 1.771 1.00 0.00 N ATOM 1084 CA GLY A 68 0.246 14.118 2.067 1.00 0.00 C ATOM 1085 C GLY A 68 1.188 13.047 1.511 1.00 0.00 C ATOM 1086 O GLY A 68 1.739 12.247 2.264 1.00 0.00 O ATOM 0 H GLY A 68 0.084 16.042 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.146 13.995 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.748 13.990 1.639 1.00 0.00 H new ATOM 1090 N ILE A 69 1.343 13.069 0.195 1.00 0.00 N ATOM 1091 CA ILE A 69 2.209 12.112 -0.473 1.00 0.00 C ATOM 1092 C ILE A 69 3.602 12.164 0.159 1.00 0.00 C ATOM 1093 O ILE A 69 4.289 11.146 0.240 1.00 0.00 O ATOM 1094 CB ILE A 69 2.210 12.353 -1.984 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.570 11.074 -2.742 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.132 13.517 -2.352 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.783 11.361 -4.229 1.00 0.00 C ATOM 0 H ILE A 69 0.883 13.735 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 69 1.833 11.098 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 69 1.201 12.633 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.475 10.638 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.775 10.338 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.115 13.668 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.790 14.424 -1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.149 13.290 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.038 10.435 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.868 11.774 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.595 12.078 -4.348 1.00 0.00 H new ATOM 1109 N LYS A 70 3.977 13.357 0.592 1.00 0.00 N ATOM 1110 CA LYS A 70 5.275 13.555 1.214 1.00 0.00 C ATOM 1111 C LYS A 70 5.311 12.816 2.553 1.00 0.00 C ATOM 1112 O LYS A 70 6.355 12.306 2.956 1.00 0.00 O ATOM 1113 CB LYS A 70 5.594 15.048 1.326 1.00 0.00 C ATOM 1114 CG LYS A 70 6.920 15.272 2.058 1.00 0.00 C ATOM 1115 CD LYS A 70 6.877 16.556 2.889 1.00 0.00 C ATOM 1116 CE LYS A 70 6.614 16.247 4.364 1.00 0.00 C ATOM 1117 NZ LYS A 70 6.470 17.500 5.137 1.00 0.00 N ATOM 0 H LYS A 70 3.404 14.198 0.525 1.00 0.00 H new ATOM 0 HA LYS A 70 6.064 13.130 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.645 15.488 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.790 15.556 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.130 14.422 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.734 15.330 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.822 17.090 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.097 17.214 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.709 15.647 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.434 15.654 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.292 17.273 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.344 18.058 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.673 18.051 4.760 1.00 0.00 H new ATOM 1130 N ALA A 71 4.159 12.783 3.205 1.00 0.00 N ATOM 1131 CA ALA A 71 4.047 12.115 4.492 1.00 0.00 C ATOM 1132 C ALA A 71 3.995 10.602 4.271 1.00 0.00 C ATOM 1133 O ALA A 71 4.512 9.835 5.083 1.00 0.00 O ATOM 1134 CB ALA A 71 2.814 12.639 5.233 1.00 0.00 C ATOM 0 H ALA A 71 3.295 13.207 2.868 1.00 0.00 H new ATOM 0 HA ALA A 71 4.916 12.329 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.729 12.139 6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.912 13.713 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.921 12.438 4.641 1.00 0.00 H new ATOM 1140 N LEU A 72 3.366 10.216 3.171 1.00 0.00 N ATOM 1141 CA LEU A 72 3.241 8.808 2.834 1.00 0.00 C ATOM 1142 C LEU A 72 4.580 8.296 2.297 1.00 0.00 C ATOM 1143 O LEU A 72 4.870 7.103 2.380 1.00 0.00 O ATOM 1144 CB LEU A 72 2.069 8.588 1.876 1.00 0.00 C ATOM 1145 CG LEU A 72 1.875 7.158 1.370 1.00 0.00 C ATOM 1146 CD1 LEU A 72 1.595 6.200 2.530 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.783 7.097 0.300 1.00 0.00 C ATOM 0 H LEU A 72 2.937 10.854 2.501 1.00 0.00 H new ATOM 0 HA LEU A 72 3.009 8.222 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.153 8.903 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.202 9.242 1.014 1.00 0.00 H new ATOM 0 HG LEU A 72 2.803 6.833 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.461 5.190 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.435 6.214 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.689 6.513 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.666 6.069 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.159 7.449 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.063 7.730 -0.542 1.00 0.00 H new ATOM 1159 N GLN A 73 5.358 9.223 1.758 1.00 0.00 N ATOM 1160 CA GLN A 73 6.658 8.879 1.208 1.00 0.00 C ATOM 1161 C GLN A 73 7.674 8.670 2.333 1.00 0.00 C ATOM 1162 O GLN A 73 8.442 7.709 2.309 1.00 0.00 O ATOM 1163 CB GLN A 73 7.140 9.952 0.228 1.00 0.00 C ATOM 1164 CG GLN A 73 7.094 9.440 -1.212 1.00 0.00 C ATOM 1165 CD GLN A 73 8.497 9.107 -1.721 1.00 0.00 C ATOM 1166 OE1 GLN A 73 9.423 9.896 -1.626 1.00 0.00 O ATOM 1167 NE2 GLN A 73 8.604 7.898 -2.266 1.00 0.00 N ATOM 0 H GLN A 73 5.113 10.211 1.690 1.00 0.00 H new ATOM 0 HA GLN A 73 6.560 7.945 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.517 10.841 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.158 10.249 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.464 8.552 -1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.639 10.193 -1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.789 7.286 -2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.501 7.583 -2.636 1.00 0.00 H new ATOM 1176 N GLU A 74 7.643 9.584 3.292 1.00 0.00 N ATOM 1177 CA GLU A 74 8.550 9.512 4.424 1.00 0.00 C ATOM 1178 C GLU A 74 8.133 8.381 5.367 1.00 0.00 C ATOM 1179 O GLU A 74 8.975 7.782 6.035 1.00 0.00 O ATOM 1180 CB GLU A 74 8.613 10.850 5.164 1.00 0.00 C ATOM 1181 CG GLU A 74 7.282 11.158 5.851 1.00 0.00 C ATOM 1182 CD GLU A 74 7.456 11.239 7.370 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.251 12.311 7.960 1.00 0.00 O ATOM 1184 OE2 GLU A 74 7.813 10.138 7.937 1.00 0.00 O ATOM 0 H GLU A 74 7.004 10.378 3.308 1.00 0.00 H new ATOM 0 HA GLU A 74 9.551 9.296 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.412 10.823 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.857 11.647 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.884 12.101 5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.554 10.385 5.605 1.00 0.00 H new ATOM 1192 N ALA A 75 6.833 8.125 5.393 1.00 0.00 N ATOM 1193 CA ALA A 75 6.293 7.078 6.244 1.00 0.00 C ATOM 1194 C ALA A 75 6.381 5.738 5.513 1.00 0.00 C ATOM 1195 O ALA A 75 5.818 4.742 5.965 1.00 0.00 O ATOM 1196 CB ALA A 75 4.860 7.432 6.642 1.00 0.00 C ATOM 0 H ALA A 75 6.138 8.625 4.838 1.00 0.00 H new ATOM 0 HA ALA A 75 6.874 6.992 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.455 6.647 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.856 8.378 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.246 7.524 5.746 1.00 0.00 H new ATOM 1202 N SER A 76 7.090 5.755 4.393 1.00 0.00 N ATOM 1203 CA SER A 76 7.258 4.551 3.595 1.00 0.00 C ATOM 1204 C SER A 76 7.799 3.417 4.466 1.00 0.00 C ATOM 1205 O SER A 76 7.059 2.505 4.835 1.00 0.00 O ATOM 1206 CB SER A 76 8.192 4.804 2.410 1.00 0.00 C ATOM 1207 OG SER A 76 7.557 5.556 1.380 1.00 0.00 O ATOM 0 H SER A 76 7.554 6.583 4.019 1.00 0.00 H new ATOM 0 HA SER A 76 6.284 4.262 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.078 5.337 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.531 3.850 2.006 1.00 0.00 H new ATOM 0 HG SER A 76 7.975 6.440 1.315 1.00 0.00 H new ATOM 1213 N GLY A 77 9.086 3.510 4.770 1.00 0.00 N ATOM 1214 CA GLY A 77 9.735 2.501 5.590 1.00 0.00 C ATOM 1215 C GLY A 77 8.876 2.149 6.808 1.00 0.00 C ATOM 1216 O GLY A 77 9.022 1.072 7.383 1.00 0.00 O ATOM 0 H GLY A 77 9.696 4.268 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.915 1.605 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.708 2.866 5.920 1.00 0.00 H new ATOM 1220 N PHE A 78 8.003 3.079 7.164 1.00 0.00 N ATOM 1221 CA PHE A 78 7.122 2.881 8.303 1.00 0.00 C ATOM 1222 C PHE A 78 6.072 1.808 8.003 1.00 0.00 C ATOM 1223 O PHE A 78 5.844 0.914 8.816 1.00 0.00 O ATOM 1224 CB PHE A 78 6.414 4.213 8.558 1.00 0.00 C ATOM 1225 CG PHE A 78 6.509 4.700 10.004 1.00 0.00 C ATOM 1226 CD1 PHE A 78 5.984 3.950 11.010 1.00 0.00 C ATOM 1227 CD2 PHE A 78 7.117 5.885 10.285 1.00 0.00 C ATOM 1228 CE1 PHE A 78 6.074 4.403 12.354 1.00 0.00 C ATOM 1229 CE2 PHE A 78 7.204 6.337 11.628 1.00 0.00 C ATOM 1230 CZ PHE A 78 6.681 5.587 12.634 1.00 0.00 C ATOM 0 H PHE A 78 7.886 3.972 6.684 1.00 0.00 H new ATOM 0 HA PHE A 78 7.699 2.555 9.168 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.841 4.971 7.901 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.363 4.112 8.288 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.499 3.011 10.788 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.533 6.481 9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.660 3.806 13.153 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.686 7.277 11.851 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.748 5.932 13.655 1.00 0.00 H new ATOM 1240 N ILE A 79 5.461 1.934 6.834 1.00 0.00 N ATOM 1241 CA ILE A 79 4.441 0.986 6.417 1.00 0.00 C ATOM 1242 C ILE A 79 5.092 -0.370 6.144 1.00 0.00 C ATOM 1243 O ILE A 79 4.491 -1.414 6.396 1.00 0.00 O ATOM 1244 CB ILE A 79 3.650 1.540 5.230 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.473 1.468 3.942 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.153 2.958 5.514 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.347 2.763 3.137 1.00 0.00 C ATOM 0 H ILE A 79 5.652 2.678 6.163 1.00 0.00 H new ATOM 0 HA ILE A 79 3.712 0.834 7.213 1.00 0.00 H new ATOM 0 HB ILE A 79 2.769 0.914 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.520 1.287 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.136 0.626 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.594 3.327 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.505 2.948 6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.005 3.612 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.942 2.685 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.302 2.928 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.708 3.600 3.735 1.00 0.00 H new ATOM 1259 N ARG A 80 6.314 -0.313 5.634 1.00 0.00 N ATOM 1260 CA ARG A 80 7.053 -1.524 5.323 1.00 0.00 C ATOM 1261 C ARG A 80 7.377 -2.292 6.607 1.00 0.00 C ATOM 1262 O ARG A 80 7.256 -3.515 6.651 1.00 0.00 O ATOM 1263 CB ARG A 80 8.356 -1.202 4.589 1.00 0.00 C ATOM 1264 CG ARG A 80 9.319 -2.390 4.633 1.00 0.00 C ATOM 1265 CD ARG A 80 10.504 -2.170 3.692 1.00 0.00 C ATOM 1266 NE ARG A 80 11.411 -1.143 4.252 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.314 -1.380 5.227 1.00 0.00 C ATOM 1268 NH1 ARG A 80 12.439 -2.613 5.759 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.072 -0.386 5.651 1.00 0.00 N ATOM 0 H ARG A 80 6.811 0.554 5.429 1.00 0.00 H new ATOM 0 HA ARG A 80 6.426 -2.137 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.139 -0.943 3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.827 -0.330 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.680 -2.532 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.791 -3.301 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.045 -3.106 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.147 -1.856 2.711 1.00 0.00 H new ATOM 0 HE ARG A 80 11.350 -0.196 3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.849 -3.375 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.124 -2.784 6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.970 0.543 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.760 -0.547 6.387 1.00 0.00 H new ATOM 1282 N SER A 81 7.780 -1.541 7.622 1.00 0.00 N ATOM 1283 CA SER A 81 8.121 -2.136 8.904 1.00 0.00 C ATOM 1284 C SER A 81 6.846 -2.501 9.668 1.00 0.00 C ATOM 1285 O SER A 81 6.820 -3.487 10.402 1.00 0.00 O ATOM 1286 CB SER A 81 8.985 -1.188 9.738 1.00 0.00 C ATOM 1287 OG SER A 81 9.740 -1.884 10.726 1.00 0.00 O ATOM 0 H SER A 81 7.878 -0.526 7.583 1.00 0.00 H new ATOM 0 HA SER A 81 8.697 -3.042 8.718 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.663 -0.643 9.081 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.348 -0.449 10.223 1.00 0.00 H new ATOM 0 HG SER A 81 10.279 -1.244 11.236 1.00 0.00 H new ATOM 1293 N LEU A 82 5.820 -1.687 9.465 1.00 0.00 N ATOM 1294 CA LEU A 82 4.546 -1.913 10.126 1.00 0.00 C ATOM 1295 C LEU A 82 3.975 -3.260 9.678 1.00 0.00 C ATOM 1296 O LEU A 82 3.421 -4.003 10.488 1.00 0.00 O ATOM 1297 CB LEU A 82 3.601 -0.733 9.884 1.00 0.00 C ATOM 1298 CG LEU A 82 2.396 -0.635 10.823 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.010 -2.013 11.363 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.657 0.371 11.946 1.00 0.00 C ATOM 0 H LEU A 82 5.845 -0.871 8.853 1.00 0.00 H new ATOM 0 HA LEU A 82 4.681 -1.968 11.206 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.176 0.190 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.234 -0.791 8.859 1.00 0.00 H new ATOM 0 HG LEU A 82 1.545 -0.264 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.151 -1.916 12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.754 -2.671 10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.850 -2.436 11.915 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.786 0.422 12.599 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.525 0.054 12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.846 1.355 11.516 1.00 0.00 H new ATOM 1312 N LEU A 83 4.130 -3.533 8.392 1.00 0.00 N ATOM 1313 CA LEU A 83 3.638 -4.778 7.827 1.00 0.00 C ATOM 1314 C LEU A 83 4.506 -5.935 8.320 1.00 0.00 C ATOM 1315 O LEU A 83 3.999 -6.888 8.910 1.00 0.00 O ATOM 1316 CB LEU A 83 3.554 -4.678 6.302 1.00 0.00 C ATOM 1317 CG LEU A 83 2.751 -3.499 5.750 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.415 -2.921 4.498 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.296 -3.900 5.493 1.00 0.00 C ATOM 0 H LEU A 83 4.589 -2.914 7.724 1.00 0.00 H new ATOM 0 HA LEU A 83 2.621 -4.975 8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.568 -4.619 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.116 -5.600 5.921 1.00 0.00 H new ATOM 0 HG LEU A 83 2.741 -2.710 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.824 -2.084 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.419 -2.575 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.476 -3.692 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.747 -3.044 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.265 -4.714 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.839 -4.228 6.426 1.00 0.00 H new ATOM 1331 N GLY A 84 5.800 -5.816 8.062 1.00 0.00 N ATOM 1332 CA GLY A 84 6.744 -6.841 8.472 1.00 0.00 C ATOM 1333 C GLY A 84 6.524 -7.235 9.935 1.00 0.00 C ATOM 1334 O GLY A 84 6.524 -8.419 10.270 1.00 0.00 O ATOM 0 H GLY A 84 6.217 -5.024 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.633 -7.718 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.763 -6.477 8.339 1.00 0.00 H new ATOM 1338 N LYS A 85 6.342 -6.220 10.766 1.00 0.00 N ATOM 1339 CA LYS A 85 6.121 -6.445 12.184 1.00 0.00 C ATOM 1340 C LYS A 85 4.683 -6.920 12.404 1.00 0.00 C ATOM 1341 O LYS A 85 4.437 -7.813 13.213 1.00 0.00 O ATOM 1342 CB LYS A 85 6.483 -5.195 12.988 1.00 0.00 C ATOM 1343 CG LYS A 85 7.951 -5.228 13.420 1.00 0.00 C ATOM 1344 CD LYS A 85 8.526 -3.813 13.523 1.00 0.00 C ATOM 1345 CE LYS A 85 9.205 -3.593 14.875 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.632 -3.984 14.807 1.00 0.00 N ATOM 0 H LYS A 85 6.343 -5.240 10.485 1.00 0.00 H new ATOM 0 HA LYS A 85 6.778 -7.234 12.550 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.297 -4.305 12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.843 -5.126 13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.039 -5.731 14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.532 -5.809 12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.245 -3.650 12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.728 -3.082 13.390 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.122 -2.545 15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.698 -4.177 15.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.079 -3.829 15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.705 -4.990 14.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.116 -3.409 14.088 1.00 0.00 H new ATOM 1359 N ALA A 86 3.770 -6.302 11.668 1.00 0.00 N ATOM 1360 CA ALA A 86 2.364 -6.652 11.772 1.00 0.00 C ATOM 1361 C ALA A 86 2.176 -8.116 11.372 1.00 0.00 C ATOM 1362 O ALA A 86 1.276 -8.789 11.872 1.00 0.00 O ATOM 1363 CB ALA A 86 1.537 -5.700 10.906 1.00 0.00 C ATOM 0 H ALA A 86 3.977 -5.562 10.998 1.00 0.00 H new ATOM 0 HA ALA A 86 2.016 -6.545 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.482 -5.962 10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.683 -4.676 11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.856 -5.783 9.867 1.00 0.00 H new ATOM 1369 N MET A 87 3.040 -8.566 10.474 1.00 0.00 N ATOM 1370 CA MET A 87 2.979 -9.939 10.001 1.00 0.00 C ATOM 1371 C MET A 87 4.292 -10.673 10.281 1.00 0.00 C ATOM 1372 O MET A 87 4.596 -11.678 9.639 1.00 0.00 O ATOM 1373 CB MET A 87 2.700 -9.950 8.496 1.00 0.00 C ATOM 1374 CG MET A 87 1.384 -10.666 8.189 1.00 0.00 C ATOM 1375 SD MET A 87 1.317 -11.104 6.460 1.00 0.00 S ATOM 1376 CE MET A 87 1.316 -9.477 5.727 1.00 0.00 C ATOM 0 H MET A 87 3.785 -8.005 10.062 1.00 0.00 H new ATOM 0 HA MET A 87 2.176 -10.451 10.532 1.00 0.00 H new ATOM 0 HB2 MET A 87 2.657 -8.927 8.123 1.00 0.00 H new ATOM 0 HB3 MET A 87 3.519 -10.446 7.974 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.296 -11.562 8.803 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.542 -10.022 8.442 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.587 -9.443 4.917 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.053 -8.737 6.483 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.307 -9.255 5.332 1.00 0.00 H new ATOM 1386 N ARG A 88 5.035 -10.144 11.243 1.00 0.00 N ATOM 1387 CA ARG A 88 6.309 -10.737 11.616 1.00 0.00 C ATOM 1388 C ARG A 88 6.862 -11.576 10.461 1.00 0.00 C ATOM 1389 O ARG A 88 6.659 -12.787 10.417 1.00 0.00 O ATOM 1390 CB ARG A 88 6.161 -11.623 12.855 1.00 0.00 C ATOM 1391 CG ARG A 88 6.132 -10.779 14.131 1.00 0.00 C ATOM 1392 CD ARG A 88 6.209 -11.666 15.376 1.00 0.00 C ATOM 1393 NE ARG A 88 7.614 -11.780 15.829 1.00 0.00 N ATOM 1394 CZ ARG A 88 8.052 -12.703 16.712 1.00 0.00 C ATOM 1395 NH1 ARG A 88 7.195 -13.600 17.247 1.00 0.00 N ATOM 1396 NH2 ARG A 88 9.328 -12.714 17.047 1.00 0.00 N ATOM 0 H ARG A 88 4.779 -9.312 11.775 1.00 0.00 H new ATOM 0 HA ARG A 88 7.000 -9.925 11.843 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.245 -12.208 12.781 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.989 -12.331 12.901 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.967 -10.078 14.127 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.218 -10.186 14.158 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.595 -11.245 16.172 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.808 -12.655 15.154 1.00 0.00 H new ATOM 0 HE ARG A 88 8.293 -11.120 15.450 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.209 -13.583 16.985 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.534 -14.294 17.913 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.968 -12.032 16.640 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.675 -13.405 17.713 1.00 0.00 H new ATOM 1409 N LEU A 89 7.552 -10.895 9.558 1.00 0.00 N ATOM 1410 CA LEU A 89 8.138 -11.562 8.406 1.00 0.00 C ATOM 1411 C LEU A 89 9.651 -11.335 8.407 1.00 0.00 C ATOM 1412 O LEU A 89 10.185 -10.682 9.301 1.00 0.00 O ATOM 1413 CB LEU A 89 7.448 -11.110 7.117 1.00 0.00 C ATOM 1414 CG LEU A 89 8.231 -10.122 6.250 1.00 0.00 C ATOM 1415 CD1 LEU A 89 7.428 -9.730 5.008 1.00 0.00 C ATOM 1416 CD2 LEU A 89 8.661 -8.900 7.063 1.00 0.00 C ATOM 0 H LEU A 89 7.719 -9.890 9.600 1.00 0.00 H new ATOM 0 HA LEU A 89 7.977 -12.638 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.227 -11.993 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.493 -10.655 7.379 1.00 0.00 H new ATOM 0 HG LEU A 89 9.140 -10.615 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.006 -9.027 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.214 -10.621 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.492 -9.263 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.216 -8.214 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.778 -8.396 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.296 -9.218 7.890 1.00 0.00 H new ATOM 1428 N ARG A 90 10.300 -11.890 7.393 1.00 0.00 N ATOM 1429 CA ARG A 90 11.741 -11.756 7.265 1.00 0.00 C ATOM 1430 C ARG A 90 12.107 -11.282 5.856 1.00 0.00 C ATOM 1431 O ARG A 90 12.996 -10.448 5.690 1.00 0.00 O ATOM 1432 CB ARG A 90 12.445 -13.085 7.546 1.00 0.00 C ATOM 1433 CG ARG A 90 12.047 -14.145 6.518 1.00 0.00 C ATOM 1434 CD ARG A 90 12.601 -15.518 6.903 1.00 0.00 C ATOM 1435 NE ARG A 90 13.097 -16.221 5.699 1.00 0.00 N ATOM 1436 CZ ARG A 90 12.298 -16.742 4.744 1.00 0.00 C ATOM 1437 NH1 ARG A 90 10.955 -16.645 4.847 1.00 0.00 N ATOM 1438 NH2 ARG A 90 12.848 -17.348 3.709 1.00 0.00 N ATOM 0 H ARG A 90 9.854 -12.433 6.653 1.00 0.00 H new ATOM 0 HA ARG A 90 12.072 -11.020 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.525 -12.940 7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.190 -13.431 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.961 -14.195 6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.421 -13.861 5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.409 -15.403 7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.824 -16.110 7.385 1.00 0.00 H new ATOM 0 HE ARG A 90 14.106 -16.318 5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.538 -16.175 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.358 -17.041 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.863 -17.418 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.258 -17.747 2.979 1.00 0.00 H new ATOM 1451 N ILE A 91 11.403 -11.835 4.880 1.00 0.00 N ATOM 1452 CA ILE A 91 11.643 -11.479 3.490 1.00 0.00 C ATOM 1453 C ILE A 91 11.892 -9.972 3.390 1.00 0.00 C ATOM 1454 O ILE A 91 12.648 -9.521 2.532 1.00 0.00 O ATOM 1455 CB ILE A 91 10.497 -11.974 2.605 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.140 -11.608 3.210 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.619 -13.476 2.339 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.168 -11.133 2.128 1.00 0.00 C ATOM 0 H ILE A 91 10.667 -12.526 5.023 1.00 0.00 H new ATOM 0 HA ILE A 91 12.539 -11.976 3.118 1.00 0.00 H new ATOM 0 HB ILE A 91 10.567 -11.469 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.722 -12.473 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.270 -10.825 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.792 -13.802 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.563 -13.681 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.588 -14.017 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.211 -10.879 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.578 -10.254 1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.021 -11.928 1.396 1.00 0.00 H new ATOM 1470 N VAL A 92 11.241 -9.238 4.279 1.00 0.00 N ATOM 1471 CA VAL A 92 11.382 -7.792 4.301 1.00 0.00 C ATOM 1472 C VAL A 92 11.822 -7.305 2.918 1.00 0.00 C ATOM 1473 O VAL A 92 12.888 -6.709 2.776 1.00 0.00 O ATOM 1474 CB VAL A 92 12.347 -7.377 5.415 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.465 -5.854 5.498 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.918 -7.968 6.759 1.00 0.00 C ATOM 0 H VAL A 92 10.615 -9.617 4.989 1.00 0.00 H new ATOM 0 HA VAL A 92 10.426 -7.319 4.524 1.00 0.00 H new ATOM 0 HB VAL A 92 13.332 -7.776 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.156 -5.586 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.838 -5.466 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.485 -5.424 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.620 -7.658 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.919 -7.612 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.909 -9.056 6.692 1.00 0.00 H new ATOM 1486 N PRO A 93 10.954 -7.585 1.910 1.00 0.00 N ATOM 1487 CA PRO A 93 11.240 -7.182 0.543 1.00 0.00 C ATOM 1488 C PRO A 93 11.025 -5.679 0.358 1.00 0.00 C ATOM 1489 O PRO A 93 10.269 -5.060 1.104 1.00 0.00 O ATOM 1490 CB PRO A 93 10.315 -8.025 -0.317 1.00 0.00 C ATOM 1491 CG PRO A 93 9.223 -8.528 0.611 1.00 0.00 C ATOM 1492 CD PRO A 93 9.682 -8.289 2.041 1.00 0.00 C ATOM 0 HA PRO A 93 12.281 -7.347 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.894 -7.435 -1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.854 -8.856 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.287 -8.005 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.036 -9.588 0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.956 -7.695 2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.803 -9.229 2.580 1.00 0.00 H new ATOM 1500 N GLU A 94 11.705 -5.135 -0.642 1.00 0.00 N ATOM 1501 CA GLU A 94 11.597 -3.716 -0.935 1.00 0.00 C ATOM 1502 C GLU A 94 10.197 -3.386 -1.452 1.00 0.00 C ATOM 1503 O GLU A 94 10.037 -2.967 -2.598 1.00 0.00 O ATOM 1504 CB GLU A 94 12.670 -3.281 -1.937 1.00 0.00 C ATOM 1505 CG GLU A 94 13.329 -1.972 -1.499 1.00 0.00 C ATOM 1506 CD GLU A 94 14.449 -1.573 -2.462 1.00 0.00 C ATOM 1507 OE1 GLU A 94 15.030 -2.442 -3.131 1.00 0.00 O ATOM 1508 OE2 GLU A 94 14.710 -0.311 -2.505 1.00 0.00 O ATOM 0 H GLU A 94 12.332 -5.652 -1.259 1.00 0.00 H new ATOM 0 HA GLU A 94 11.761 -3.160 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.426 -4.061 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.223 -3.155 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.581 -1.180 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.732 -2.083 -0.492 1.00 0.00 H new ATOM 1516 N LEU A 95 9.217 -3.586 -0.582 1.00 0.00 N ATOM 1517 CA LEU A 95 7.835 -3.314 -0.937 1.00 0.00 C ATOM 1518 C LEU A 95 7.640 -1.805 -1.094 1.00 0.00 C ATOM 1519 O LEU A 95 7.337 -1.110 -0.126 1.00 0.00 O ATOM 1520 CB LEU A 95 6.886 -3.954 0.077 1.00 0.00 C ATOM 1521 CG LEU A 95 7.119 -3.580 1.543 1.00 0.00 C ATOM 1522 CD1 LEU A 95 6.101 -2.539 2.012 1.00 0.00 C ATOM 1523 CD2 LEU A 95 7.119 -4.824 2.432 1.00 0.00 C ATOM 0 H LEU A 95 9.353 -3.933 0.367 1.00 0.00 H new ATOM 0 HA LEU A 95 7.592 -3.768 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.865 -3.682 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.962 -5.037 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 95 8.106 -3.125 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.289 -2.291 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.194 -1.640 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.094 -2.944 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.287 -4.531 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.157 -5.330 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.913 -5.499 2.113 1.00 0.00 H new ATOM 1535 N THR A 96 7.823 -1.341 -2.323 1.00 0.00 N ATOM 1536 CA THR A 96 7.672 0.072 -2.619 1.00 0.00 C ATOM 1537 C THR A 96 6.214 0.502 -2.440 1.00 0.00 C ATOM 1538 O THR A 96 5.337 -0.336 -2.239 1.00 0.00 O ATOM 1539 CB THR A 96 8.210 0.320 -4.031 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.205 1.740 -4.160 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.243 -0.156 -5.117 1.00 0.00 C ATOM 0 H THR A 96 8.074 -1.920 -3.124 1.00 0.00 H new ATOM 0 HA THR A 96 8.246 0.685 -1.924 1.00 0.00 H new ATOM 0 HB THR A 96 9.167 -0.187 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.541 1.989 -5.046 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.672 0.043 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.070 -1.227 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.297 0.376 -5.020 1.00 0.00 H new ATOM 1549 N PHE A 97 6.001 1.807 -2.522 1.00 0.00 N ATOM 1550 CA PHE A 97 4.665 2.358 -2.371 1.00 0.00 C ATOM 1551 C PHE A 97 4.309 3.265 -3.552 1.00 0.00 C ATOM 1552 O PHE A 97 4.865 4.352 -3.693 1.00 0.00 O ATOM 1553 CB PHE A 97 4.666 3.190 -1.087 1.00 0.00 C ATOM 1554 CG PHE A 97 3.496 2.890 -0.150 1.00 0.00 C ATOM 1555 CD1 PHE A 97 3.361 1.651 0.395 1.00 0.00 C ATOM 1556 CD2 PHE A 97 2.588 3.861 0.140 1.00 0.00 C ATOM 1557 CE1 PHE A 97 2.274 1.371 1.264 1.00 0.00 C ATOM 1558 CE2 PHE A 97 1.503 3.582 1.011 1.00 0.00 C ATOM 1559 CZ PHE A 97 1.367 2.343 1.554 1.00 0.00 C ATOM 0 H PHE A 97 6.731 2.499 -2.691 1.00 0.00 H new ATOM 0 HA PHE A 97 3.933 1.552 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.600 3.014 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.644 4.247 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.081 0.880 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.693 4.845 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.167 0.387 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.785 4.354 1.243 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.540 2.130 2.215 1.00 0.00 H new ATOM 1569 N PHE A 98 3.385 2.782 -4.369 1.00 0.00 N ATOM 1570 CA PHE A 98 2.948 3.533 -5.533 1.00 0.00 C ATOM 1571 C PHE A 98 1.730 4.399 -5.202 1.00 0.00 C ATOM 1572 O PHE A 98 0.648 3.877 -4.941 1.00 0.00 O ATOM 1573 CB PHE A 98 2.559 2.514 -6.605 1.00 0.00 C ATOM 1574 CG PHE A 98 3.401 2.597 -7.879 1.00 0.00 C ATOM 1575 CD1 PHE A 98 3.040 3.445 -8.879 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.513 1.824 -8.011 1.00 0.00 C ATOM 1577 CE1 PHE A 98 3.823 3.522 -10.062 1.00 0.00 C ATOM 1578 CE2 PHE A 98 5.296 1.902 -9.193 1.00 0.00 C ATOM 1579 CZ PHE A 98 4.935 2.749 -10.194 1.00 0.00 C ATOM 0 H PHE A 98 2.927 1.879 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 98 3.748 4.192 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.649 1.511 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.510 2.658 -6.865 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.158 4.060 -8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.800 1.151 -7.217 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.535 4.194 -10.857 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.179 1.288 -9.297 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.531 2.808 -11.093 1.00 0.00 H new ATOM 1589 N TYR A 99 1.949 5.705 -5.222 1.00 0.00 N ATOM 1590 CA TYR A 99 0.882 6.647 -4.928 1.00 0.00 C ATOM 1591 C TYR A 99 0.283 7.217 -6.215 1.00 0.00 C ATOM 1592 O TYR A 99 0.801 8.184 -6.769 1.00 0.00 O ATOM 1593 CB TYR A 99 1.531 7.783 -4.134 1.00 0.00 C ATOM 1594 CG TYR A 99 2.889 7.422 -3.528 1.00 0.00 C ATOM 1595 CD1 TYR A 99 2.955 6.871 -2.265 1.00 0.00 C ATOM 1596 CD2 TYR A 99 4.046 7.650 -4.244 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.234 6.532 -1.693 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.324 7.310 -3.673 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.354 6.768 -2.427 1.00 0.00 C ATOM 1600 OH TYR A 99 6.562 6.449 -1.888 1.00 0.00 O ATOM 0 H TYR A 99 2.849 6.134 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 99 0.078 6.158 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.655 8.646 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.856 8.085 -3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.049 6.694 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.994 8.083 -5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.301 6.101 -0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.238 7.482 -4.223 1.00 0.00 H new ATOM 0 HH TYR A 99 6.798 5.530 -2.135 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.800 6.592 -6.652 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.476 7.025 -7.863 1.00 0.00 C ATOM 1612 C ASP A 100 -2.750 7.787 -7.489 1.00 0.00 C ATOM 1613 O ASP A 100 -3.821 7.195 -7.378 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.879 5.829 -8.728 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.365 5.869 -10.168 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -1.018 6.939 -10.693 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -1.326 4.727 -10.766 1.00 0.00 O ATOM 0 H ASP A 100 -1.226 5.789 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.788 7.660 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.515 4.918 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.967 5.765 -8.748 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.589 9.089 -7.301 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.712 9.937 -6.940 1.00 0.00 C ATOM 1625 C ASN A 101 -4.379 10.462 -8.214 1.00 0.00 C ATOM 1626 O ASN A 101 -4.066 10.009 -9.314 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.250 11.142 -6.119 1.00 0.00 C ATOM 1628 CG ASN A 101 -1.938 10.840 -5.391 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -1.870 9.610 -4.889 1.00 0.00 O flip ATOM 1630 ND2 ASN A 101 -1.047 11.667 -5.292 1.00 0.00 N flip ATOM 0 H ASN A 101 -1.698 9.577 -7.392 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.408 9.342 -6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.117 12.003 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.019 11.409 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -1.164 12.594 -5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -0.185 11.432 -4.800 1.00 0.00 H new ATOM 1637 N SER A 102 -5.285 11.408 -8.022 1.00 0.00 N ATOM 1638 CA SER A 102 -5.999 12.000 -9.141 1.00 0.00 C ATOM 1639 C SER A 102 -5.214 13.190 -9.692 1.00 0.00 C ATOM 1640 O SER A 102 -5.753 14.001 -10.445 1.00 0.00 O ATOM 1641 CB SER A 102 -7.406 12.437 -8.728 1.00 0.00 C ATOM 1642 OG SER A 102 -7.660 12.186 -7.348 1.00 0.00 O ATOM 0 H SER A 102 -5.542 11.780 -7.108 1.00 0.00 H new ATOM 0 HA SER A 102 -6.097 11.245 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.530 13.501 -8.932 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.142 11.909 -9.334 1.00 0.00 H new ATOM 0 HG SER A 102 -7.436 11.255 -7.138 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.951 13.261 -9.297 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.086 14.341 -9.741 1.00 0.00 C ATOM 1650 C LEU A 103 -2.275 13.872 -10.952 1.00 0.00 C ATOM 1651 O LEU A 103 -1.410 14.597 -11.441 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.223 14.849 -8.583 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.398 16.106 -8.863 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.130 17.361 -8.378 1.00 0.00 C ATOM 1655 CD2 LEU A 103 0.002 15.989 -8.259 1.00 0.00 C ATOM 0 H LEU A 103 -3.506 12.587 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.680 15.196 -10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.873 15.048 -7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.543 14.051 -8.285 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.275 16.201 -9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.522 18.241 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.086 17.448 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.304 17.289 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.567 16.896 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.077 15.857 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.515 15.131 -8.693 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.586 12.664 -11.400 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.897 12.091 -12.545 1.00 0.00 C ATOM 1669 C VAL A 104 -2.920 11.437 -13.474 1.00 0.00 C ATOM 1670 O VAL A 104 -2.549 10.782 -14.447 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.813 11.120 -12.070 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.657 9.954 -13.046 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.519 11.845 -11.863 1.00 0.00 C ATOM 0 H VAL A 104 -3.305 12.067 -10.992 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.390 12.869 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.125 10.712 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.119 9.279 -12.685 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.601 9.414 -13.122 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.378 10.336 -14.028 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.272 11.133 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.839 12.294 -12.803 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.396 12.626 -11.112 1.00 0.00 H new ATOM 1683 N GLU A 105 -4.186 11.638 -13.143 1.00 0.00 N ATOM 1684 CA GLU A 105 -5.266 11.075 -13.936 1.00 0.00 C ATOM 1685 C GLU A 105 -6.541 11.904 -13.761 1.00 0.00 C ATOM 1686 O GLU A 105 -7.302 12.085 -14.710 1.00 0.00 O ATOM 1687 CB GLU A 105 -5.510 9.609 -13.570 1.00 0.00 C ATOM 1688 CG GLU A 105 -4.240 8.967 -13.009 1.00 0.00 C ATOM 1689 CD GLU A 105 -4.524 7.555 -12.492 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -5.412 6.869 -13.018 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -3.781 7.176 -11.507 1.00 0.00 O ATOM 0 H GLU A 105 -4.489 12.183 -12.336 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.975 11.109 -14.986 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.311 9.542 -12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.841 9.060 -14.452 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.475 8.928 -13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.844 9.582 -12.201 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.733 12.385 -12.543 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.902 13.189 -12.231 1.00 0.00 C ATOM 1701 C GLY A 106 -8.994 12.341 -11.576 1.00 0.00 C ATOM 1702 O GLY A 106 -9.726 12.823 -10.714 1.00 0.00 O ATOM 0 H GLY A 106 -6.098 12.234 -11.759 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.620 14.003 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.288 13.644 -13.143 1.00 0.00 H new ATOM 1706 N MET A 107 -9.067 11.091 -12.009 1.00 0.00 N ATOM 1707 CA MET A 107 -10.056 10.170 -11.474 1.00 0.00 C ATOM 1708 C MET A 107 -9.444 8.789 -11.233 1.00 0.00 C ATOM 1709 O MET A 107 -10.146 7.779 -11.279 1.00 0.00 O ATOM 1710 CB MET A 107 -11.222 10.048 -12.456 1.00 0.00 C ATOM 1711 CG MET A 107 -10.821 9.232 -13.686 1.00 0.00 C ATOM 1712 SD MET A 107 -9.801 10.220 -14.769 1.00 0.00 S ATOM 1713 CE MET A 107 -8.265 9.318 -14.655 1.00 0.00 C ATOM 0 H MET A 107 -8.458 10.694 -12.724 1.00 0.00 H new ATOM 0 HA MET A 107 -10.412 10.560 -10.520 1.00 0.00 H new ATOM 0 HB2 MET A 107 -12.070 9.574 -11.962 1.00 0.00 H new ATOM 0 HB3 MET A 107 -11.547 11.041 -12.765 1.00 0.00 H new ATOM 0 HG2 MET A 107 -10.279 8.338 -13.378 1.00 0.00 H new ATOM 0 HG3 MET A 107 -11.712 8.898 -14.217 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.512 9.803 -15.276 1.00 0.00 H new ATOM 0 HE2 MET A 107 -7.927 9.304 -13.619 1.00 0.00 H new ATOM 0 HE3 MET A 107 -8.417 8.295 -15.001 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.144 8.788 -10.979 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.430 7.547 -10.730 1.00 0.00 C ATOM 1725 C ARG A 108 -8.344 6.542 -10.025 1.00 0.00 C ATOM 1726 O ARG A 108 -8.415 5.379 -10.420 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.189 7.788 -9.870 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.558 7.877 -8.387 1.00 0.00 C ATOM 1729 CD ARG A 108 -7.726 8.840 -8.170 1.00 0.00 C ATOM 1730 NE ARG A 108 -8.087 8.882 -6.735 1.00 0.00 N ATOM 1731 CZ ARG A 108 -9.013 8.083 -6.163 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -9.682 7.172 -6.902 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -9.256 8.206 -4.871 1.00 0.00 N ATOM 0 H ARG A 108 -7.566 9.627 -10.940 1.00 0.00 H new ATOM 0 HA ARG A 108 -7.117 7.145 -11.694 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.474 6.980 -10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.699 8.710 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.824 6.888 -8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.694 8.212 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.454 9.838 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.585 8.522 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.606 9.557 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.489 7.084 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.380 6.572 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.747 8.897 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.953 7.610 -4.424 1.00 0.00 H new TER 1746 ARG A 108