USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 993 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 48 MET CE :methyl -177:sc= -0.88 (180deg=-0.882) USER MOD Set 1.2: A 68 MET CE :methyl 156:sc= -0.418 (180deg=-1.37!) USER MOD Set 2.1: A 65 THR OG1 : rot -136:sc= 0.217 USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0.784 USER MOD Set 3.1: A 50 MET CE :methyl -167:sc= -0.328 (180deg=-0.68) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -3.8 K(o=-4.1,f=-6!) USER MOD Set 4.1: A 40 ASN : amide:sc= -2.55! C(o=-2.4!,f=-8.4!) USER MOD Set 4.2: A 45 LYS NZ :NH3+ -166:sc= 0.159 (180deg=0) USER MOD Set 5.1: A 11 TYR OH : rot -24:sc= 0.134 USER MOD Set 5.2: A 117 CYS SG : rot 83:sc= 0.42 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 1.31 (180deg=1.15) USER MOD Single : A 12 SER OG : rot 42:sc= 0.126 USER MOD Single : A 13 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.0037) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 12:sc= 0.124 USER MOD Single : A 26 GLN : amide:sc= -0.6 K(o=-0.6,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-0.00348 (180deg=-0.108) USER MOD Single : A 34 ASN : amide:sc= -8.48! C(o=-8.5!,f=-5.6!) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0452 (180deg=-0.305) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.104) USER MOD Single : A 43 ASN : amide:sc= 0.661 K(o=0.66,f=-0.66) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.13) USER MOD Single : A 59 CYS SG : rot 140:sc= -4.33! USER MOD Single : A 61 ASN : amide:sc= 0.542 K(o=0.54,f=-6.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 69 ASN : amide:sc=-0.00116 X(o=-0.0012,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc=-0.00933 (180deg=-0.126) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -130:sc= -0.909 USER MOD Single : A 81 MET CE :methyl 167:sc= -2.49! (180deg=-2.62) USER MOD Single : A 85 SER OG : rot 81:sc= 0.535 USER MOD Single : A 88 SER OG : rot -80:sc= -1.07 USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= 1.66 (180deg=1.01) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -160:sc= -1.21 USER MOD Single : A 111 LYS NZ :NH3+ 139:sc= 1.15 (180deg=0.914) USER MOD Single : A 112 GLN : amide:sc= 1.16 K(o=1.2,f=-0.6) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.704 K(o=-0.7,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -9.757 -6.770 -12.552 1.00 0.00 N ATOM 44 CA GLU A 5 -9.090 -5.627 -12.502 1.00 0.00 C ATOM 45 C GLU A 5 -10.187 -4.632 -12.395 1.00 0.00 C ATOM 46 O GLU A 5 -11.180 -4.707 -13.136 1.00 0.00 O ATOM 47 CB GLU A 5 -8.298 -5.297 -13.699 1.00 0.00 C ATOM 48 CG GLU A 5 -7.846 -3.906 -13.518 1.00 0.00 C ATOM 49 CD GLU A 5 -7.217 -3.289 -14.730 1.00 0.00 C ATOM 50 OE1 GLU A 5 -6.097 -3.692 -15.107 1.00 0.00 O ATOM 51 OE2 GLU A 5 -7.802 -2.341 -15.303 1.00 0.00 O ATOM 0 HA GLU A 5 -8.359 -5.659 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.449 -5.972 -13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.898 -5.397 -14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.699 -3.297 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.129 -3.875 -12.698 1.00 0.00 H new ATOM 58 N ASP A 6 -10.039 -3.803 -11.486 1.00 0.00 N ATOM 59 CA ASP A 6 -10.998 -2.786 -11.172 1.00 0.00 C ATOM 60 C ASP A 6 -10.291 -1.679 -10.445 1.00 0.00 C ATOM 61 O ASP A 6 -10.876 -0.833 -9.802 1.00 0.00 O ATOM 62 CB ASP A 6 -11.971 -3.478 -10.305 1.00 0.00 C ATOM 63 CG ASP A 6 -13.161 -2.660 -9.802 1.00 0.00 C ATOM 64 OD1 ASP A 6 -14.157 -2.513 -10.558 1.00 0.00 O ATOM 65 OD2 ASP A 6 -13.147 -2.210 -8.631 1.00 0.00 O ATOM 0 H ASP A 6 -9.215 -3.781 -10.886 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.486 -2.338 -12.037 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.358 -4.338 -10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.436 -3.865 -9.438 1.00 0.00 H new ATOM 70 N GLU A 7 -9.028 -1.686 -10.580 1.00 0.00 N ATOM 71 CA GLU A 7 -8.185 -0.783 -9.945 1.00 0.00 C ATOM 72 C GLU A 7 -7.217 -0.254 -10.908 1.00 0.00 C ATOM 73 O GLU A 7 -6.734 -0.953 -11.809 1.00 0.00 O ATOM 74 CB GLU A 7 -7.578 -1.369 -8.665 1.00 0.00 C ATOM 75 CG GLU A 7 -6.829 -2.684 -8.821 1.00 0.00 C ATOM 76 CD GLU A 7 -7.729 -3.875 -8.899 1.00 0.00 C ATOM 77 OE1 GLU A 7 -8.251 -4.304 -7.861 1.00 0.00 O ATOM 78 OE2 GLU A 7 -7.929 -4.415 -9.984 1.00 0.00 O ATOM 0 H GLU A 7 -8.536 -2.359 -11.168 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.759 0.072 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.895 -0.633 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.379 -1.514 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.218 -2.640 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.148 -2.807 -7.979 1.00 0.00 H new ATOM 85 N LYS A 8 -6.974 0.975 -10.739 1.00 0.00 N ATOM 86 CA LYS A 8 -6.252 1.733 -11.671 1.00 0.00 C ATOM 87 C LYS A 8 -4.863 2.090 -11.173 1.00 0.00 C ATOM 88 O LYS A 8 -4.621 2.123 -9.971 1.00 0.00 O ATOM 89 CB LYS A 8 -7.062 2.951 -12.055 1.00 0.00 C ATOM 90 CG LYS A 8 -7.370 3.882 -10.891 1.00 0.00 C ATOM 91 CD LYS A 8 -8.579 4.740 -11.181 1.00 0.00 C ATOM 92 CE LYS A 8 -8.450 5.502 -12.478 1.00 0.00 C ATOM 93 NZ LYS A 8 -9.700 6.180 -12.799 1.00 0.00 N ATOM 0 H LYS A 8 -7.281 1.503 -9.922 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.088 1.129 -12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.521 3.508 -12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.000 2.624 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.545 3.295 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.508 4.519 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.467 4.109 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.725 5.445 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.644 6.231 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.183 4.818 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.621 6.629 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.477 5.489 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.895 6.907 -12.081 1.00 0.00 H new ATOM 107 N VAL A 9 -3.986 2.404 -12.101 1.00 0.00 N ATOM 108 CA VAL A 9 -2.607 2.642 -11.833 1.00 0.00 C ATOM 109 C VAL A 9 -2.372 4.055 -11.365 1.00 0.00 C ATOM 110 O VAL A 9 -2.710 5.031 -12.045 1.00 0.00 O ATOM 111 CB VAL A 9 -1.725 2.373 -13.092 1.00 0.00 C ATOM 112 CG1 VAL A 9 -0.237 2.546 -12.783 1.00 0.00 C ATOM 113 CG2 VAL A 9 -1.992 0.990 -13.661 1.00 0.00 C ATOM 0 H VAL A 9 -4.231 2.501 -13.086 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.321 1.950 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.000 3.113 -13.843 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.347 2.351 -13.683 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.052 3.565 -12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.056 1.845 -12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.364 0.830 -14.537 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.763 0.236 -12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.041 0.910 -13.947 1.00 0.00 H new ATOM 123 N LEU A 10 -1.863 4.141 -10.197 1.00 0.00 N ATOM 124 CA LEU A 10 -1.381 5.393 -9.640 1.00 0.00 C ATOM 125 C LEU A 10 0.075 5.573 -10.016 1.00 0.00 C ATOM 126 O LEU A 10 0.425 6.437 -10.810 1.00 0.00 O ATOM 127 CB LEU A 10 -1.551 5.462 -8.101 1.00 0.00 C ATOM 128 CG LEU A 10 -2.968 5.700 -7.534 1.00 0.00 C ATOM 129 CD1 LEU A 10 -3.516 7.040 -7.981 1.00 0.00 C ATOM 130 CD2 LEU A 10 -3.920 4.586 -7.907 1.00 0.00 C ATOM 0 H LEU A 10 -1.757 3.343 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.982 6.201 -10.058 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.177 4.528 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.906 6.258 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.880 5.708 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.515 7.181 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.861 7.837 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.567 7.067 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.905 4.793 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.994 4.519 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.548 3.641 -7.510 1.00 0.00 H new ATOM 142 N TYR A 11 0.904 4.720 -9.482 1.00 0.00 N ATOM 143 CA TYR A 11 2.333 4.746 -9.744 1.00 0.00 C ATOM 144 C TYR A 11 2.933 3.358 -9.614 1.00 0.00 C ATOM 145 O TYR A 11 2.399 2.509 -8.883 1.00 0.00 O ATOM 146 CB TYR A 11 3.076 5.778 -8.860 1.00 0.00 C ATOM 147 CG TYR A 11 2.897 5.626 -7.354 1.00 0.00 C ATOM 148 CD1 TYR A 11 3.764 4.844 -6.598 1.00 0.00 C ATOM 149 CD2 TYR A 11 1.874 6.294 -6.691 1.00 0.00 C ATOM 150 CE1 TYR A 11 3.611 4.731 -5.228 1.00 0.00 C ATOM 151 CE2 TYR A 11 1.714 6.183 -5.326 1.00 0.00 C ATOM 152 CZ TYR A 11 2.584 5.404 -4.600 1.00 0.00 C ATOM 153 OH TYR A 11 2.429 5.300 -3.239 1.00 0.00 O ATOM 0 H TYR A 11 0.614 3.977 -8.846 1.00 0.00 H new ATOM 0 HA TYR A 11 2.467 5.074 -10.775 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.141 5.719 -9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.744 6.776 -9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.569 4.317 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.192 6.912 -7.256 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.291 4.120 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.909 6.705 -4.830 1.00 0.00 H new ATOM 0 HH TYR A 11 2.831 4.462 -2.927 1.00 0.00 H new ATOM 163 N SER A 12 3.972 3.117 -10.377 1.00 0.00 N ATOM 164 CA SER A 12 4.665 1.885 -10.420 1.00 0.00 C ATOM 165 C SER A 12 6.184 2.099 -10.261 1.00 0.00 C ATOM 166 O SER A 12 6.767 2.892 -11.010 1.00 0.00 O ATOM 167 CB SER A 12 4.353 1.298 -11.771 1.00 0.00 C ATOM 168 OG SER A 12 4.477 2.283 -12.797 1.00 0.00 O ATOM 0 H SER A 12 4.363 3.817 -11.008 1.00 0.00 H new ATOM 0 HA SER A 12 4.359 1.226 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.029 0.467 -11.976 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.341 0.893 -11.771 1.00 0.00 H new ATOM 0 HG SER A 12 5.272 2.831 -12.630 1.00 0.00 H new ATOM 174 N GLN A 13 6.816 1.425 -9.297 1.00 0.00 N ATOM 175 CA GLN A 13 8.277 1.545 -9.126 1.00 0.00 C ATOM 176 C GLN A 13 8.889 0.257 -8.586 1.00 0.00 C ATOM 177 O GLN A 13 8.232 -0.491 -7.895 1.00 0.00 O ATOM 178 CB GLN A 13 8.656 2.797 -8.305 1.00 0.00 C ATOM 179 CG GLN A 13 10.139 3.147 -8.294 1.00 0.00 C ATOM 180 CD GLN A 13 10.430 4.415 -7.523 1.00 0.00 C ATOM 181 OE1 GLN A 13 10.395 5.508 -8.071 1.00 0.00 O ATOM 182 NE2 GLN A 13 10.747 4.283 -6.271 1.00 0.00 N ATOM 0 H GLN A 13 6.357 0.802 -8.633 1.00 0.00 H new ATOM 0 HA GLN A 13 8.717 1.693 -10.112 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.102 3.650 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.327 2.649 -7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.700 2.322 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.490 3.261 -9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.767 3.357 -5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.976 5.106 -5.714 1.00 0.00 H new ATOM 191 N ARG A 14 10.157 0.023 -8.899 1.00 0.00 N ATOM 192 CA ARG A 14 10.817 -1.205 -8.538 1.00 0.00 C ATOM 193 C ARG A 14 11.224 -1.201 -7.073 1.00 0.00 C ATOM 194 O ARG A 14 11.976 -0.342 -6.606 1.00 0.00 O ATOM 195 CB ARG A 14 12.027 -1.474 -9.442 1.00 0.00 C ATOM 196 CG ARG A 14 12.665 -2.842 -9.216 1.00 0.00 C ATOM 197 CD ARG A 14 13.846 -3.087 -10.144 1.00 0.00 C ATOM 198 NE ARG A 14 13.477 -2.978 -11.572 1.00 0.00 N ATOM 199 CZ ARG A 14 13.803 -3.863 -12.530 1.00 0.00 C ATOM 200 NH1 ARG A 14 14.372 -5.024 -12.217 1.00 0.00 N ATOM 201 NH2 ARG A 14 13.510 -3.602 -13.795 1.00 0.00 N ATOM 0 H ARG A 14 10.746 0.682 -9.408 1.00 0.00 H new ATOM 0 HA ARG A 14 10.104 -2.016 -8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.717 -1.395 -10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.776 -0.700 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.997 -2.919 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.917 -3.620 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.635 -2.369 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.255 -4.079 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 14 12.930 -2.164 -11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.565 -5.251 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.615 -5.688 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.038 -2.731 -14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.756 -4.272 -14.524 1.00 0.00 H new ATOM 215 N VAL A 15 10.712 -2.170 -6.391 1.00 0.00 N ATOM 216 CA VAL A 15 10.880 -2.372 -4.990 1.00 0.00 C ATOM 217 C VAL A 15 11.327 -3.842 -4.783 1.00 0.00 C ATOM 218 O VAL A 15 11.381 -4.620 -5.747 1.00 0.00 O ATOM 219 CB VAL A 15 9.497 -2.139 -4.285 1.00 0.00 C ATOM 220 CG1 VAL A 15 8.556 -3.339 -4.443 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.649 -1.718 -2.833 1.00 0.00 C ATOM 0 H VAL A 15 10.129 -2.887 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 15 11.619 -1.688 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 15 9.027 -1.302 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.612 -3.130 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.370 -3.518 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.016 -4.223 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.663 -1.570 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.180 -2.495 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.213 -0.787 -2.781 1.00 0.00 H new ATOM 231 N LYS A 16 11.660 -4.204 -3.575 1.00 0.00 N ATOM 232 CA LYS A 16 11.989 -5.579 -3.245 1.00 0.00 C ATOM 233 C LYS A 16 10.979 -6.039 -2.215 1.00 0.00 C ATOM 234 O LYS A 16 10.772 -5.323 -1.239 1.00 0.00 O ATOM 235 CB LYS A 16 13.391 -5.641 -2.645 1.00 0.00 C ATOM 236 CG LYS A 16 14.470 -5.025 -3.518 1.00 0.00 C ATOM 237 CD LYS A 16 15.819 -5.117 -2.851 1.00 0.00 C ATOM 238 CE LYS A 16 16.907 -4.505 -3.708 1.00 0.00 C ATOM 239 NZ LYS A 16 18.222 -4.571 -3.044 1.00 0.00 N ATOM 0 H LYS A 16 11.713 -3.560 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 16 11.963 -6.211 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.384 -5.132 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.646 -6.683 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.500 -5.536 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.229 -3.981 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.785 -4.608 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.057 -6.162 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.955 -5.027 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.660 -3.466 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.943 -4.143 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.183 -4.052 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.469 -5.564 -2.861 1.00 0.00 H new ATOM 253 N LEU A 17 10.349 -7.206 -2.394 1.00 0.00 N ATOM 254 CA LEU A 17 9.343 -7.624 -1.478 1.00 0.00 C ATOM 255 C LEU A 17 9.902 -8.726 -0.649 1.00 0.00 C ATOM 256 O LEU A 17 10.722 -9.508 -1.124 1.00 0.00 O ATOM 257 CB LEU A 17 8.091 -8.106 -2.214 1.00 0.00 C ATOM 258 CG LEU A 17 6.989 -8.690 -1.355 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.316 -7.626 -0.500 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.012 -9.411 -2.220 1.00 0.00 C ATOM 0 H LEU A 17 10.532 -7.853 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 17 9.051 -6.782 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.679 -7.266 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.391 -8.859 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 17 7.429 -9.404 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.531 -8.085 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.055 -7.166 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.879 -6.863 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.219 -9.831 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.581 -8.715 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.521 -10.214 -2.752 1.00 0.00 H new ATOM 272 N PHE A 18 9.483 -8.769 0.561 1.00 0.00 N ATOM 273 CA PHE A 18 9.910 -9.716 1.552 1.00 0.00 C ATOM 274 C PHE A 18 8.703 -10.214 2.352 1.00 0.00 C ATOM 275 O PHE A 18 7.709 -9.530 2.437 1.00 0.00 O ATOM 276 CB PHE A 18 10.878 -9.019 2.530 1.00 0.00 C ATOM 277 CG PHE A 18 12.268 -8.701 2.008 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.480 -7.683 1.094 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.361 -9.418 2.456 1.00 0.00 C ATOM 280 CE1 PHE A 18 13.749 -7.399 0.634 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.632 -9.138 2.001 1.00 0.00 C ATOM 282 CZ PHE A 18 14.826 -8.128 1.088 1.00 0.00 C ATOM 0 H PHE A 18 8.792 -8.110 0.919 1.00 0.00 H new ATOM 0 HA PHE A 18 10.398 -10.554 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.417 -8.087 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.983 -9.651 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.641 -7.104 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.217 -10.211 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.898 -6.605 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.474 -9.711 2.361 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.820 -7.907 0.728 1.00 0.00 H new ATOM 292 N ARG A 19 8.796 -11.411 2.882 1.00 0.00 N ATOM 293 CA ARG A 19 7.893 -11.964 3.790 1.00 0.00 C ATOM 294 C ARG A 19 8.567 -12.191 5.074 1.00 0.00 C ATOM 295 O ARG A 19 9.755 -12.443 5.142 1.00 0.00 O ATOM 296 CB ARG A 19 7.360 -13.273 3.359 1.00 0.00 C ATOM 297 CG ARG A 19 8.390 -14.297 2.912 1.00 0.00 C ATOM 298 CD ARG A 19 7.773 -15.664 2.717 1.00 0.00 C ATOM 299 NE ARG A 19 8.764 -16.625 2.239 1.00 0.00 N ATOM 300 CZ ARG A 19 8.671 -17.952 2.344 1.00 0.00 C ATOM 301 NH1 ARG A 19 7.620 -18.509 2.936 1.00 0.00 N ATOM 302 NH2 ARG A 19 9.641 -18.712 1.859 1.00 0.00 N ATOM 0 H ARG A 19 9.564 -12.043 2.658 1.00 0.00 H new ATOM 0 HA ARG A 19 7.070 -11.253 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.787 -13.699 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.662 -13.107 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.848 -13.968 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.186 -14.360 3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.349 -16.012 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.952 -15.597 2.003 1.00 0.00 H new ATOM 0 HE ARG A 19 9.598 -16.250 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.877 -17.921 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.556 -19.524 3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.450 -18.282 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.579 -19.727 1.934 1.00 0.00 H new ATOM 316 N PHE A 20 7.823 -12.079 6.036 1.00 0.00 N ATOM 317 CA PHE A 20 8.255 -12.241 7.370 1.00 0.00 C ATOM 318 C PHE A 20 7.982 -13.646 7.753 1.00 0.00 C ATOM 319 O PHE A 20 6.829 -14.095 7.749 1.00 0.00 O ATOM 320 CB PHE A 20 7.459 -11.393 8.326 1.00 0.00 C ATOM 321 CG PHE A 20 8.102 -11.232 9.680 1.00 0.00 C ATOM 322 CD1 PHE A 20 9.338 -10.619 9.811 1.00 0.00 C ATOM 323 CD2 PHE A 20 7.476 -11.715 10.815 1.00 0.00 C ATOM 324 CE1 PHE A 20 9.932 -10.485 11.050 1.00 0.00 C ATOM 325 CE2 PHE A 20 8.065 -11.586 12.053 1.00 0.00 C ATOM 326 CZ PHE A 20 9.295 -10.968 12.170 1.00 0.00 C ATOM 0 H PHE A 20 6.831 -11.859 5.951 1.00 0.00 H new ATOM 0 HA PHE A 20 9.307 -11.962 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.311 -10.407 7.885 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.471 -11.836 8.454 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.842 -10.242 8.934 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.514 -12.199 10.729 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.894 -10.002 11.140 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.566 -11.968 12.932 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.757 -10.864 13.141 1.00 0.00 H new ATOM 336 N ASP A 21 8.986 -14.338 8.018 1.00 0.00 N ATOM 337 CA ASP A 21 8.821 -15.627 8.593 1.00 0.00 C ATOM 338 C ASP A 21 8.818 -15.417 10.019 1.00 0.00 C ATOM 339 O ASP A 21 9.729 -14.896 10.550 1.00 0.00 O ATOM 340 CB ASP A 21 9.894 -16.644 8.292 1.00 0.00 C ATOM 341 CG ASP A 21 9.278 -18.027 8.323 1.00 0.00 C ATOM 342 OD1 ASP A 21 8.888 -18.470 9.399 1.00 0.00 O ATOM 343 OD2 ASP A 21 9.204 -18.692 7.273 1.00 0.00 O ATOM 0 H ASP A 21 9.952 -14.054 7.854 1.00 0.00 H new ATOM 0 HA ASP A 21 7.909 -16.046 8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.335 -16.449 7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.698 -16.572 9.025 1.00 0.00 H new ATOM 348 N ALA A 22 7.794 -15.734 10.586 1.00 0.00 N ATOM 349 CA ALA A 22 7.604 -15.624 12.000 1.00 0.00 C ATOM 350 C ALA A 22 8.469 -16.646 12.706 1.00 0.00 C ATOM 351 O ALA A 22 9.126 -16.353 13.711 1.00 0.00 O ATOM 352 CB ALA A 22 6.148 -15.792 12.343 1.00 0.00 C ATOM 0 H ALA A 22 6.981 -16.107 10.095 1.00 0.00 H new ATOM 0 HA ALA A 22 7.906 -14.632 12.337 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.016 -15.706 13.422 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.565 -15.018 11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.807 -16.773 12.013 1.00 0.00 H new ATOM 358 N GLU A 23 8.562 -17.814 12.096 1.00 0.00 N ATOM 359 CA GLU A 23 9.337 -18.902 12.619 1.00 0.00 C ATOM 360 C GLU A 23 10.799 -18.717 12.332 1.00 0.00 C ATOM 361 O GLU A 23 11.652 -19.221 13.067 1.00 0.00 O ATOM 362 CB GLU A 23 8.834 -20.220 12.095 1.00 0.00 C ATOM 363 CG GLU A 23 7.495 -20.591 12.678 1.00 0.00 C ATOM 364 CD GLU A 23 7.547 -20.778 14.180 1.00 0.00 C ATOM 365 OE1 GLU A 23 7.445 -19.790 14.932 1.00 0.00 O ATOM 366 OE2 GLU A 23 7.679 -21.924 14.639 1.00 0.00 O ATOM 0 H GLU A 23 8.093 -18.026 11.215 1.00 0.00 H new ATOM 0 HA GLU A 23 9.218 -18.909 13.702 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.754 -20.171 11.009 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.558 -21.001 12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.770 -19.814 12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.142 -21.511 12.213 1.00 0.00 H new ATOM 373 N VAL A 24 11.122 -17.964 11.277 1.00 0.00 N ATOM 374 CA VAL A 24 12.531 -17.669 11.061 1.00 0.00 C ATOM 375 C VAL A 24 12.832 -16.375 11.710 1.00 0.00 C ATOM 376 O VAL A 24 13.990 -16.005 11.935 1.00 0.00 O ATOM 377 CB VAL A 24 12.969 -17.567 9.576 1.00 0.00 C ATOM 378 CG1 VAL A 24 14.486 -17.589 9.424 1.00 0.00 C ATOM 379 CG2 VAL A 24 12.378 -18.652 8.819 1.00 0.00 C ATOM 0 H VAL A 24 10.469 -17.571 10.599 1.00 0.00 H new ATOM 0 HA VAL A 24 13.081 -18.511 11.483 1.00 0.00 H new ATOM 0 HB VAL A 24 12.617 -16.610 9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.747 -17.515 8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.918 -16.747 9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.879 -18.521 9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.687 -18.579 7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.710 -19.605 9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.292 -18.589 8.881 1.00 0.00 H new ATOM 389 N SER A 25 11.754 -15.739 12.114 1.00 0.00 N ATOM 390 CA SER A 25 11.742 -14.384 12.549 1.00 0.00 C ATOM 391 C SER A 25 12.387 -13.546 11.522 1.00 0.00 C ATOM 392 O SER A 25 12.959 -12.489 11.835 1.00 0.00 O ATOM 393 CB SER A 25 12.431 -14.299 13.841 1.00 0.00 C ATOM 394 OG SER A 25 11.631 -14.790 14.912 1.00 0.00 O ATOM 0 H SER A 25 10.834 -16.179 12.145 1.00 0.00 H new ATOM 0 HA SER A 25 10.723 -14.022 12.684 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.360 -14.868 13.793 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.702 -13.262 14.038 1.00 0.00 H new ATOM 0 HG SER A 25 10.849 -15.257 14.549 1.00 0.00 H new ATOM 400 N GLN A 26 12.237 -13.933 10.256 1.00 0.00 N ATOM 401 CA GLN A 26 13.045 -13.219 9.354 1.00 0.00 C ATOM 402 C GLN A 26 12.294 -12.696 8.139 1.00 0.00 C ATOM 403 O GLN A 26 11.399 -13.344 7.639 1.00 0.00 O ATOM 404 CB GLN A 26 14.267 -14.072 8.944 1.00 0.00 C ATOM 405 CG GLN A 26 15.243 -13.447 7.945 1.00 0.00 C ATOM 406 CD GLN A 26 15.983 -12.245 8.481 1.00 0.00 C ATOM 407 OE1 GLN A 26 15.486 -11.517 9.322 1.00 0.00 O ATOM 408 NE2 GLN A 26 17.175 -12.037 8.007 1.00 0.00 N ATOM 0 H GLN A 26 11.625 -14.661 9.887 1.00 0.00 H new ATOM 0 HA GLN A 26 13.391 -12.329 9.879 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.822 -14.326 9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.901 -15.008 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.968 -14.202 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.694 -13.154 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.561 -12.666 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.725 -11.244 8.339 1.00 0.00 H new ATOM 417 N TRP A 27 12.704 -11.544 7.661 1.00 0.00 N ATOM 418 CA TRP A 27 12.231 -10.971 6.494 1.00 0.00 C ATOM 419 C TRP A 27 13.017 -11.549 5.304 1.00 0.00 C ATOM 420 O TRP A 27 14.212 -11.294 5.133 1.00 0.00 O ATOM 421 CB TRP A 27 12.352 -9.439 6.620 1.00 0.00 C ATOM 422 CG TRP A 27 13.670 -8.922 7.164 1.00 0.00 C ATOM 423 CD1 TRP A 27 14.767 -8.530 6.444 1.00 0.00 C ATOM 424 CD2 TRP A 27 14.014 -8.733 8.545 1.00 0.00 C ATOM 425 NE1 TRP A 27 15.771 -8.133 7.292 1.00 0.00 N ATOM 426 CE2 TRP A 27 15.335 -8.246 8.586 1.00 0.00 C ATOM 427 CE3 TRP A 27 13.333 -8.939 9.748 1.00 0.00 C ATOM 428 CZ2 TRP A 27 15.986 -7.963 9.783 1.00 0.00 C ATOM 429 CZ3 TRP A 27 13.979 -8.658 10.933 1.00 0.00 C ATOM 430 CH2 TRP A 27 15.291 -8.176 10.945 1.00 0.00 C ATOM 0 H TRP A 27 13.415 -10.979 8.126 1.00 0.00 H new ATOM 0 HA TRP A 27 11.179 -11.201 6.322 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.189 -8.999 5.636 1.00 0.00 H new ATOM 0 HB3 TRP A 27 11.549 -9.082 7.266 1.00 0.00 H new ATOM 0 HD1 TRP A 27 14.833 -8.533 5.366 1.00 0.00 H new ATOM 0 HE1 TRP A 27 16.694 -7.806 7.005 1.00 0.00 H new ATOM 0 HE3 TRP A 27 12.319 -9.311 9.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 16.999 -7.590 9.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 13.462 -8.813 11.869 1.00 0.00 H new ATOM 0 HH2 TRP A 27 15.768 -7.967 11.891 1.00 0.00 H new ATOM 441 N LYS A 28 12.363 -12.391 4.560 1.00 0.00 N ATOM 442 CA LYS A 28 12.949 -13.062 3.412 1.00 0.00 C ATOM 443 C LYS A 28 12.223 -12.675 2.193 1.00 0.00 C ATOM 444 O LYS A 28 11.013 -12.593 2.207 1.00 0.00 O ATOM 445 CB LYS A 28 12.938 -14.578 3.589 1.00 0.00 C ATOM 446 CG LYS A 28 13.771 -15.088 4.759 1.00 0.00 C ATOM 447 CD LYS A 28 15.255 -14.773 4.590 1.00 0.00 C ATOM 448 CE LYS A 28 15.846 -15.398 3.329 1.00 0.00 C ATOM 449 NZ LYS A 28 15.710 -16.862 3.321 1.00 0.00 N ATOM 0 H LYS A 28 11.389 -12.643 4.728 1.00 0.00 H new ATOM 0 HA LYS A 28 13.990 -12.753 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.908 -14.907 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.303 -15.040 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.409 -14.639 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.639 -16.166 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.392 -13.692 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.801 -15.135 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.349 -14.983 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.900 -15.132 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.241 -17.256 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.087 -17.251 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.706 -17.117 3.230 1.00 0.00 H new ATOM 463 N GLU A 29 12.970 -12.437 1.143 1.00 0.00 N ATOM 464 CA GLU A 29 12.487 -11.957 -0.060 1.00 0.00 C ATOM 465 C GLU A 29 11.367 -12.789 -0.609 1.00 0.00 C ATOM 466 O GLU A 29 11.343 -14.024 -0.508 1.00 0.00 O ATOM 467 CB GLU A 29 13.601 -11.782 -1.098 1.00 0.00 C ATOM 468 CG GLU A 29 14.337 -13.069 -1.434 1.00 0.00 C ATOM 469 CD GLU A 29 15.387 -12.888 -2.494 1.00 0.00 C ATOM 470 OE1 GLU A 29 15.061 -12.999 -3.695 1.00 0.00 O ATOM 471 OE2 GLU A 29 16.566 -12.664 -2.147 1.00 0.00 O ATOM 0 H GLU A 29 13.978 -12.592 1.138 1.00 0.00 H new ATOM 0 HA GLU A 29 12.075 -10.971 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.172 -11.371 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.319 -11.051 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.805 -13.459 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.617 -13.816 -1.768 1.00 0.00 H new ATOM 478 N ARG A 30 10.450 -12.107 -1.131 1.00 0.00 N ATOM 479 CA ARG A 30 9.328 -12.721 -1.787 1.00 0.00 C ATOM 480 C ARG A 30 9.560 -12.600 -3.269 1.00 0.00 C ATOM 481 O ARG A 30 9.276 -13.503 -4.050 1.00 0.00 O ATOM 482 CB ARG A 30 8.010 -12.035 -1.453 1.00 0.00 C ATOM 483 CG ARG A 30 7.337 -12.422 -0.145 1.00 0.00 C ATOM 484 CD ARG A 30 6.713 -13.835 -0.179 1.00 0.00 C ATOM 485 NE ARG A 30 5.691 -13.996 -1.228 1.00 0.00 N ATOM 486 CZ ARG A 30 4.372 -13.691 -1.121 1.00 0.00 C ATOM 487 NH1 ARG A 30 3.838 -13.310 0.029 1.00 0.00 N ATOM 488 NH2 ARG A 30 3.579 -13.839 -2.156 1.00 0.00 N ATOM 0 H ARG A 30 10.430 -11.087 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 30 9.253 -13.756 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.183 -10.959 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.310 -12.234 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.069 -12.374 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.560 -11.694 0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.503 -14.570 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.265 -14.050 0.791 1.00 0.00 H new ATOM 0 HE ARG A 30 6.005 -14.373 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.421 -13.240 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.844 -13.087 0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.953 -14.183 -3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.588 -13.610 -2.076 1.00 0.00 H new ATOM 502 N GLY A 31 10.122 -11.465 -3.640 1.00 0.00 N ATOM 503 CA GLY A 31 10.393 -11.169 -4.997 1.00 0.00 C ATOM 504 C GLY A 31 10.676 -9.707 -5.172 1.00 0.00 C ATOM 505 O GLY A 31 10.203 -8.904 -4.414 1.00 0.00 O ATOM 0 H GLY A 31 10.398 -10.730 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.247 -11.754 -5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.542 -11.457 -5.615 1.00 0.00 H new ATOM 509 N LEU A 32 11.452 -9.389 -6.139 1.00 0.00 N ATOM 510 CA LEU A 32 11.834 -8.027 -6.462 1.00 0.00 C ATOM 511 C LEU A 32 11.142 -7.614 -7.756 1.00 0.00 C ATOM 512 O LEU A 32 11.024 -8.431 -8.688 1.00 0.00 O ATOM 513 CB LEU A 32 13.373 -7.901 -6.664 1.00 0.00 C ATOM 514 CG LEU A 32 14.323 -8.166 -5.461 1.00 0.00 C ATOM 515 CD1 LEU A 32 14.314 -9.623 -5.011 1.00 0.00 C ATOM 516 CD2 LEU A 32 15.739 -7.738 -5.811 1.00 0.00 C ATOM 0 H LEU A 32 11.865 -10.081 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 32 11.537 -7.384 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.656 -8.587 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.575 -6.892 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 32 13.952 -7.572 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.995 -9.748 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.306 -9.904 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.635 -10.260 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.397 -7.927 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.088 -8.305 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.750 -6.674 -6.048 1.00 0.00 H new ATOM 528 N GLY A 33 10.690 -6.384 -7.831 1.00 0.00 N ATOM 529 CA GLY A 33 10.038 -5.935 -9.028 1.00 0.00 C ATOM 530 C GLY A 33 9.283 -4.641 -8.846 1.00 0.00 C ATOM 531 O GLY A 33 9.472 -3.947 -7.884 1.00 0.00 O ATOM 0 H GLY A 33 10.762 -5.690 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.783 -5.806 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.347 -6.706 -9.368 1.00 0.00 H new ATOM 535 N ASN A 34 8.417 -4.362 -9.760 1.00 0.00 N ATOM 536 CA ASN A 34 7.663 -3.150 -9.830 1.00 0.00 C ATOM 537 C ASN A 34 6.439 -3.238 -9.035 1.00 0.00 C ATOM 538 O ASN A 34 5.557 -4.102 -9.242 1.00 0.00 O ATOM 539 CB ASN A 34 7.322 -2.855 -11.244 1.00 0.00 C ATOM 540 CG ASN A 34 6.579 -1.568 -11.405 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.163 -0.514 -11.562 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.294 -1.651 -11.399 1.00 0.00 N ATOM 0 H ASN A 34 8.202 -5.006 -10.521 1.00 0.00 H new ATOM 0 HA ASN A 34 8.275 -2.345 -9.422 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.238 -2.816 -11.833 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.719 -3.670 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.728 -0.812 -11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.842 -2.555 -11.264 1.00 0.00 H new ATOM 549 N LEU A 35 6.396 -2.364 -8.135 1.00 0.00 N ATOM 550 CA LEU A 35 5.309 -2.176 -7.299 1.00 0.00 C ATOM 551 C LEU A 35 4.357 -1.214 -7.925 1.00 0.00 C ATOM 552 O LEU A 35 4.732 -0.104 -8.255 1.00 0.00 O ATOM 553 CB LEU A 35 5.747 -1.778 -5.857 1.00 0.00 C ATOM 554 CG LEU A 35 4.671 -1.457 -4.766 1.00 0.00 C ATOM 555 CD1 LEU A 35 5.327 -1.449 -3.393 1.00 0.00 C ATOM 556 CD2 LEU A 35 4.027 -0.087 -4.979 1.00 0.00 C ATOM 0 H LEU A 35 7.166 -1.721 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 35 4.780 -3.121 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.365 -2.589 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.389 -0.902 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 35 3.902 -2.226 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.578 -1.226 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.766 -2.427 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.108 -0.689 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.287 0.093 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.794 0.686 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.540 -0.062 -5.954 1.00 0.00 H new ATOM 568 N LYS A 36 3.153 -1.646 -8.126 1.00 0.00 N ATOM 569 CA LYS A 36 2.163 -0.775 -8.613 1.00 0.00 C ATOM 570 C LYS A 36 1.193 -0.506 -7.502 1.00 0.00 C ATOM 571 O LYS A 36 0.941 -1.372 -6.666 1.00 0.00 O ATOM 572 CB LYS A 36 1.350 -1.321 -9.819 1.00 0.00 C ATOM 573 CG LYS A 36 2.148 -1.852 -10.999 1.00 0.00 C ATOM 574 CD LYS A 36 2.519 -3.321 -10.825 1.00 0.00 C ATOM 575 CE LYS A 36 1.310 -4.238 -11.005 1.00 0.00 C ATOM 576 NZ LYS A 36 0.746 -4.164 -12.378 1.00 0.00 N ATOM 0 H LYS A 36 2.843 -2.603 -7.956 1.00 0.00 H new ATOM 0 HA LYS A 36 2.687 0.115 -8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.703 -2.121 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.700 -0.524 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.567 -1.731 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.056 -1.261 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.289 -3.589 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.946 -3.473 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.601 -5.266 -10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.540 -3.966 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.145 -4.995 -12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.176 -3.299 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.521 -4.146 -13.071 1.00 0.00 H new ATOM 590 N ILE A 37 0.637 0.641 -7.512 1.00 0.00 N ATOM 591 CA ILE A 37 -0.427 0.948 -6.632 1.00 0.00 C ATOM 592 C ILE A 37 -1.615 1.033 -7.461 1.00 0.00 C ATOM 593 O ILE A 37 -1.677 1.860 -8.400 1.00 0.00 O ATOM 594 CB ILE A 37 -0.249 2.318 -5.956 1.00 0.00 C ATOM 595 CG1 ILE A 37 0.873 2.250 -4.936 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.585 2.809 -5.317 1.00 0.00 C ATOM 597 CD1 ILE A 37 0.517 1.509 -3.662 1.00 0.00 C ATOM 0 H ILE A 37 0.906 1.403 -8.135 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.478 0.189 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 37 0.026 3.051 -6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.736 1.766 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.176 3.265 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.428 3.780 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.347 2.900 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.915 2.091 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.375 1.508 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.324 2.004 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.244 0.482 -3.903 1.00 0.00 H new ATOM 609 N LEU A 38 -2.531 0.168 -7.205 1.00 0.00 N ATOM 610 CA LEU A 38 -3.725 0.250 -7.912 1.00 0.00 C ATOM 611 C LEU A 38 -4.812 0.610 -6.934 1.00 0.00 C ATOM 612 O LEU A 38 -4.861 0.081 -5.844 1.00 0.00 O ATOM 613 CB LEU A 38 -4.028 -1.071 -8.617 1.00 0.00 C ATOM 614 CG LEU A 38 -2.946 -1.649 -9.541 1.00 0.00 C ATOM 615 CD1 LEU A 38 -3.431 -2.925 -10.204 1.00 0.00 C ATOM 616 CD2 LEU A 38 -2.523 -0.657 -10.586 1.00 0.00 C ATOM 0 H LEU A 38 -2.465 -0.586 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.657 1.013 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.250 -1.816 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.936 -0.937 -9.205 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.079 -1.878 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.649 -3.317 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.672 -3.664 -9.439 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.321 -2.712 -10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.757 -1.102 -11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.384 -0.381 -11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.121 0.233 -10.101 1.00 0.00 H new ATOM 628 N LYS A 39 -5.628 1.538 -7.272 1.00 0.00 N ATOM 629 CA LYS A 39 -6.756 1.837 -6.421 1.00 0.00 C ATOM 630 C LYS A 39 -8.017 1.578 -7.208 1.00 0.00 C ATOM 631 O LYS A 39 -8.080 1.899 -8.396 1.00 0.00 O ATOM 632 CB LYS A 39 -6.678 3.279 -5.798 1.00 0.00 C ATOM 633 CG LYS A 39 -7.195 4.460 -6.638 1.00 0.00 C ATOM 634 CD LYS A 39 -8.697 4.648 -6.454 1.00 0.00 C ATOM 635 CE LYS A 39 -9.258 5.781 -7.296 1.00 0.00 C ATOM 636 NZ LYS A 39 -8.638 7.073 -6.976 1.00 0.00 N ATOM 0 H LYS A 39 -5.553 2.106 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.750 1.181 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.234 3.268 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.636 3.478 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.673 5.372 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.973 4.286 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.209 3.721 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.907 4.845 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.103 5.558 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.335 5.848 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.143 7.833 -7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.689 7.238 -5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.642 7.064 -7.276 1.00 0.00 H new ATOM 650 N ASN A 40 -8.988 0.974 -6.575 1.00 0.00 N ATOM 651 CA ASN A 40 -10.250 0.601 -7.245 1.00 0.00 C ATOM 652 C ASN A 40 -11.026 1.783 -7.752 1.00 0.00 C ATOM 653 O ASN A 40 -11.032 2.838 -7.156 1.00 0.00 O ATOM 654 CB ASN A 40 -11.195 -0.220 -6.323 1.00 0.00 C ATOM 655 CG ASN A 40 -10.787 -1.659 -6.125 1.00 0.00 C ATOM 656 OD1 ASN A 40 -10.961 -2.215 -5.041 1.00 0.00 O ATOM 657 ND2 ASN A 40 -10.374 -2.285 -7.172 1.00 0.00 N ATOM 0 H ASN A 40 -8.948 0.719 -5.588 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.929 -0.008 -8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.244 0.267 -5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.201 -0.196 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.176 -3.285 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.244 -1.781 -8.049 1.00 0.00 H new ATOM 664 N GLU A 41 -11.678 1.577 -8.872 1.00 0.00 N ATOM 665 CA GLU A 41 -12.566 2.468 -9.472 1.00 0.00 C ATOM 666 C GLU A 41 -13.770 2.660 -8.555 1.00 0.00 C ATOM 667 O GLU A 41 -14.405 3.704 -8.544 1.00 0.00 O ATOM 668 CB GLU A 41 -12.957 1.803 -10.752 1.00 0.00 C ATOM 669 CG GLU A 41 -12.018 2.056 -11.912 1.00 0.00 C ATOM 670 CD GLU A 41 -12.211 3.431 -12.512 1.00 0.00 C ATOM 671 OE1 GLU A 41 -11.610 4.417 -12.037 1.00 0.00 O ATOM 672 OE2 GLU A 41 -12.982 3.546 -13.485 1.00 0.00 O ATOM 0 H GLU A 41 -11.575 0.712 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.140 3.455 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.020 0.728 -10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.955 2.141 -11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.987 1.950 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.180 1.300 -12.680 1.00 0.00 H new ATOM 679 N VAL A 42 -14.037 1.637 -7.772 1.00 0.00 N ATOM 680 CA VAL A 42 -15.018 1.622 -6.775 1.00 0.00 C ATOM 681 C VAL A 42 -14.481 2.374 -5.546 1.00 0.00 C ATOM 682 O VAL A 42 -15.237 2.952 -4.764 1.00 0.00 O ATOM 683 CB VAL A 42 -15.228 0.139 -6.424 1.00 0.00 C ATOM 684 CG1 VAL A 42 -16.027 -0.023 -5.204 1.00 0.00 C ATOM 685 CG2 VAL A 42 -15.860 -0.603 -7.572 1.00 0.00 C ATOM 0 H VAL A 42 -13.530 0.754 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.947 2.094 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.244 -0.290 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.153 -1.084 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.518 0.458 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.005 0.437 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.997 -1.649 -7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.828 -0.158 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.213 -0.539 -8.447 1.00 0.00 H new ATOM 695 N ASN A 43 -13.141 2.395 -5.454 1.00 0.00 N ATOM 696 CA ASN A 43 -12.368 2.914 -4.338 1.00 0.00 C ATOM 697 C ASN A 43 -12.664 2.047 -3.113 1.00 0.00 C ATOM 698 O ASN A 43 -12.589 2.467 -1.956 1.00 0.00 O ATOM 699 CB ASN A 43 -12.692 4.386 -4.138 1.00 0.00 C ATOM 700 CG ASN A 43 -11.864 5.089 -3.066 1.00 0.00 C ATOM 701 OD1 ASN A 43 -10.697 4.766 -2.855 1.00 0.00 O ATOM 702 ND2 ASN A 43 -12.450 6.049 -2.400 1.00 0.00 N ATOM 0 H ASN A 43 -12.548 2.030 -6.199 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.296 2.863 -4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.549 4.906 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.747 4.478 -3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.937 6.556 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.420 6.291 -2.601 1.00 0.00 H new ATOM 709 N GLY A 44 -12.962 0.786 -3.410 1.00 0.00 N ATOM 710 CA GLY A 44 -13.268 -0.177 -2.390 1.00 0.00 C ATOM 711 C GLY A 44 -12.026 -0.558 -1.649 1.00 0.00 C ATOM 712 O GLY A 44 -11.947 -0.402 -0.432 1.00 0.00 O ATOM 0 H GLY A 44 -12.995 0.418 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.001 0.237 -1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.718 -1.062 -2.839 1.00 0.00 H new ATOM 716 N LYS A 45 -11.051 -1.050 -2.373 1.00 0.00 N ATOM 717 CA LYS A 45 -9.792 -1.373 -1.800 1.00 0.00 C ATOM 718 C LYS A 45 -8.737 -0.687 -2.628 1.00 0.00 C ATOM 719 O LYS A 45 -8.917 -0.476 -3.842 1.00 0.00 O ATOM 720 CB LYS A 45 -9.507 -2.892 -1.810 1.00 0.00 C ATOM 721 CG LYS A 45 -10.617 -3.813 -1.259 1.00 0.00 C ATOM 722 CD LYS A 45 -11.687 -4.106 -2.317 1.00 0.00 C ATOM 723 CE LYS A 45 -11.119 -4.962 -3.450 1.00 0.00 C ATOM 724 NZ LYS A 45 -12.022 -5.037 -4.611 1.00 0.00 N ATOM 0 H LYS A 45 -11.120 -1.233 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.790 -1.048 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.296 -3.191 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.600 -3.071 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.177 -4.750 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.082 -3.344 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.529 -4.621 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.070 -3.169 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.161 -4.550 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.927 -5.969 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.713 -5.803 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.991 -5.227 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.001 -4.134 -5.126 1.00 0.00 H new ATOM 738 N LEU A 46 -7.693 -0.292 -2.010 1.00 0.00 N ATOM 739 CA LEU A 46 -6.620 0.248 -2.672 1.00 0.00 C ATOM 740 C LEU A 46 -5.492 -0.683 -2.390 1.00 0.00 C ATOM 741 O LEU A 46 -5.407 -1.222 -1.312 1.00 0.00 O ATOM 742 CB LEU A 46 -6.267 1.601 -2.146 1.00 0.00 C ATOM 743 CG LEU A 46 -7.400 2.661 -1.935 1.00 0.00 C ATOM 744 CD1 LEU A 46 -8.270 2.374 -0.710 1.00 0.00 C ATOM 745 CD2 LEU A 46 -6.819 4.052 -1.846 1.00 0.00 C ATOM 0 H LEU A 46 -7.578 -0.346 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.839 0.365 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.768 1.460 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.534 2.036 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.049 2.593 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.036 3.144 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.746 1.400 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.649 2.373 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.623 4.773 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.127 4.104 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.287 4.284 -2.769 1.00 0.00 H new ATOM 757 N ARG A 47 -4.640 -0.832 -3.301 1.00 0.00 N ATOM 758 CA ARG A 47 -3.595 -1.856 -3.234 1.00 0.00 C ATOM 759 C ARG A 47 -2.258 -1.418 -3.746 1.00 0.00 C ATOM 760 O ARG A 47 -2.140 -0.543 -4.569 1.00 0.00 O ATOM 761 CB ARG A 47 -4.000 -3.087 -4.047 1.00 0.00 C ATOM 762 CG ARG A 47 -4.978 -2.858 -5.209 1.00 0.00 C ATOM 763 CD ARG A 47 -5.844 -4.093 -5.525 1.00 0.00 C ATOM 764 NE ARG A 47 -5.063 -5.307 -5.757 1.00 0.00 N ATOM 765 CZ ARG A 47 -5.375 -6.315 -6.589 1.00 0.00 C ATOM 766 NH1 ARG A 47 -6.442 -6.252 -7.375 1.00 0.00 N ATOM 767 NH2 ARG A 47 -4.608 -7.403 -6.608 1.00 0.00 N ATOM 0 H ARG A 47 -4.610 -0.260 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.496 -2.072 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.095 -3.541 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.445 -3.812 -3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.629 -2.018 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.415 -2.579 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.533 -4.266 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.450 -3.886 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.192 -5.398 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.042 -5.428 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.662 -7.028 -8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.795 -7.464 -5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.834 -8.175 -7.235 1.00 0.00 H new ATOM 781 N MET A 48 -1.281 -2.065 -3.216 1.00 0.00 N ATOM 782 CA MET A 48 0.062 -2.046 -3.631 1.00 0.00 C ATOM 783 C MET A 48 0.325 -3.479 -4.018 1.00 0.00 C ATOM 784 O MET A 48 0.218 -4.379 -3.178 1.00 0.00 O ATOM 785 CB MET A 48 1.022 -1.830 -2.441 1.00 0.00 C ATOM 786 CG MET A 48 0.585 -0.895 -1.334 1.00 0.00 C ATOM 787 SD MET A 48 1.796 -0.879 -0.003 1.00 0.00 S ATOM 788 CE MET A 48 1.052 0.251 1.157 1.00 0.00 C ATOM 0 H MET A 48 -1.423 -2.673 -2.409 1.00 0.00 H new ATOM 0 HA MET A 48 0.211 -1.275 -4.387 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.224 -2.804 -1.995 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.967 -1.459 -2.838 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.459 0.113 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.384 -1.209 -0.947 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.721 0.395 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.874 1.209 0.668 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.105 -0.159 1.508 1.00 0.00 H new ATOM 798 N LEU A 49 0.647 -3.709 -5.199 1.00 0.00 N ATOM 799 CA LEU A 49 1.095 -5.018 -5.583 1.00 0.00 C ATOM 800 C LEU A 49 2.367 -4.930 -6.309 1.00 0.00 C ATOM 801 O LEU A 49 2.614 -3.975 -7.013 1.00 0.00 O ATOM 802 CB LEU A 49 0.158 -5.799 -6.434 1.00 0.00 C ATOM 803 CG LEU A 49 -0.284 -5.175 -7.764 1.00 0.00 C ATOM 804 CD1 LEU A 49 -0.852 -6.236 -8.647 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.338 -4.111 -7.537 1.00 0.00 C ATOM 0 H LEU A 49 0.621 -3.022 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 49 1.184 -5.548 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.624 -6.760 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.737 -6.005 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 49 0.586 -4.717 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.166 -5.793 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.094 -6.996 -8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.711 -6.695 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.635 -3.683 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.207 -4.557 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.931 -3.326 -6.900 1.00 0.00 H new ATOM 817 N MET A 50 3.148 -5.926 -6.205 1.00 0.00 N ATOM 818 CA MET A 50 4.359 -5.945 -6.764 1.00 0.00 C ATOM 819 C MET A 50 4.542 -7.217 -7.426 1.00 0.00 C ATOM 820 O MET A 50 4.284 -8.281 -6.892 1.00 0.00 O ATOM 821 CB MET A 50 5.420 -5.680 -5.767 1.00 0.00 C ATOM 822 CG MET A 50 5.311 -6.512 -4.500 1.00 0.00 C ATOM 823 SD MET A 50 5.418 -5.545 -2.978 1.00 0.00 S ATOM 824 CE MET A 50 3.861 -4.665 -3.008 1.00 0.00 C ATOM 0 H MET A 50 2.913 -6.776 -5.693 1.00 0.00 H new ATOM 0 HA MET A 50 4.434 -5.147 -7.502 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.390 -5.867 -6.228 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.393 -4.624 -5.498 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.363 -7.050 -4.511 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.103 -7.261 -4.500 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.880 -3.866 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.704 -4.238 -3.998 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.049 -5.354 -2.777 1.00 0.00 H new ATOM 834 N ARG A 51 4.872 -7.059 -8.556 1.00 0.00 N ATOM 835 CA ARG A 51 5.189 -8.076 -9.514 1.00 0.00 C ATOM 836 C ARG A 51 6.646 -8.105 -9.657 1.00 0.00 C ATOM 837 O ARG A 51 7.315 -7.101 -9.553 1.00 0.00 O ATOM 838 CB ARG A 51 4.554 -7.749 -10.857 1.00 0.00 C ATOM 839 CG ARG A 51 4.819 -8.691 -12.032 1.00 0.00 C ATOM 840 CD ARG A 51 4.313 -8.133 -13.363 1.00 0.00 C ATOM 841 NE ARG A 51 5.195 -7.089 -13.935 1.00 0.00 N ATOM 842 CZ ARG A 51 5.149 -6.676 -15.216 1.00 0.00 C ATOM 843 NH1 ARG A 51 4.160 -7.072 -16.015 1.00 0.00 N ATOM 844 NH2 ARG A 51 6.068 -5.830 -15.668 1.00 0.00 N ATOM 0 H ARG A 51 4.960 -6.124 -8.954 1.00 0.00 H new ATOM 0 HA ARG A 51 4.809 -9.042 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.475 -7.695 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.886 -6.753 -11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.890 -8.880 -12.106 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.338 -9.650 -11.839 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.217 -8.950 -14.078 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.316 -7.717 -13.219 1.00 0.00 H new ATOM 0 HE ARG A 51 5.882 -6.655 -13.318 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.432 -7.691 -15.658 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.130 -6.756 -16.984 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.804 -5.496 -15.046 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.038 -5.514 -16.637 1.00 0.00 H new ATOM 858 N ARG A 52 7.097 -9.239 -9.906 1.00 0.00 N ATOM 859 CA ARG A 52 8.422 -9.509 -10.081 1.00 0.00 C ATOM 860 C ARG A 52 8.624 -9.295 -11.519 1.00 0.00 C ATOM 861 O ARG A 52 7.930 -9.864 -12.329 1.00 0.00 O ATOM 862 CB ARG A 52 8.654 -10.926 -9.599 1.00 0.00 C ATOM 863 CG ARG A 52 8.480 -11.082 -8.091 1.00 0.00 C ATOM 864 CD ARG A 52 8.279 -12.536 -7.680 1.00 0.00 C ATOM 865 NE ARG A 52 6.910 -12.997 -7.975 1.00 0.00 N ATOM 866 CZ ARG A 52 6.347 -14.097 -7.454 1.00 0.00 C ATOM 867 NH1 ARG A 52 7.089 -14.995 -6.819 1.00 0.00 N ATOM 868 NH2 ARG A 52 5.039 -14.301 -7.589 1.00 0.00 N ATOM 0 H ARG A 52 6.501 -10.062 -9.999 1.00 0.00 H new ATOM 0 HA ARG A 52 9.130 -8.893 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.961 -11.595 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.661 -11.237 -9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.357 -10.681 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.624 -10.492 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.997 -13.166 -8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.479 -12.645 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 52 6.351 -12.440 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.094 -14.851 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.654 -15.829 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.466 -13.621 -8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.610 -15.137 -7.193 1.00 0.00 H new ATOM 882 N GLU A 53 9.521 -8.443 -11.804 1.00 0.00 N ATOM 883 CA GLU A 53 9.752 -7.917 -13.149 1.00 0.00 C ATOM 884 C GLU A 53 10.172 -8.880 -14.129 1.00 0.00 C ATOM 885 O GLU A 53 9.480 -9.074 -15.127 1.00 0.00 O ATOM 886 CB GLU A 53 10.574 -6.637 -13.164 1.00 0.00 C ATOM 887 CG GLU A 53 9.765 -5.412 -12.822 1.00 0.00 C ATOM 888 CD GLU A 53 8.576 -5.262 -13.741 1.00 0.00 C ATOM 889 OE1 GLU A 53 8.759 -4.877 -14.927 1.00 0.00 O ATOM 890 OE2 GLU A 53 7.448 -5.525 -13.310 1.00 0.00 O ATOM 0 H GLU A 53 10.156 -8.057 -11.106 1.00 0.00 H new ATOM 0 HA GLU A 53 8.754 -7.638 -13.486 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.396 -6.732 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.018 -6.508 -14.151 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.422 -5.477 -11.789 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.396 -4.526 -12.893 1.00 0.00 H new ATOM 897 N GLN A 54 11.223 -9.535 -13.896 1.00 0.00 N ATOM 898 CA GLN A 54 11.635 -10.440 -14.887 1.00 0.00 C ATOM 899 C GLN A 54 10.863 -11.748 -14.752 1.00 0.00 C ATOM 900 O GLN A 54 10.930 -12.637 -15.605 1.00 0.00 O ATOM 901 CB GLN A 54 13.141 -10.625 -14.938 1.00 0.00 C ATOM 902 CG GLN A 54 13.901 -9.357 -15.294 1.00 0.00 C ATOM 903 CD GLN A 54 15.407 -9.543 -15.296 1.00 0.00 C ATOM 904 OE1 GLN A 54 15.949 -10.356 -14.551 1.00 0.00 O ATOM 905 NE2 GLN A 54 16.089 -8.808 -16.129 1.00 0.00 N ATOM 0 H GLN A 54 11.804 -9.473 -13.060 1.00 0.00 H new ATOM 0 HA GLN A 54 11.389 -10.012 -15.859 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.487 -10.985 -13.969 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.379 -11.398 -15.669 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.582 -9.015 -16.279 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.639 -8.573 -14.584 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.608 -8.142 -16.734 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.104 -8.898 -16.176 1.00 0.00 H new ATOM 914 N VAL A 55 10.117 -11.828 -13.681 1.00 0.00 N ATOM 915 CA VAL A 55 9.368 -12.969 -13.332 1.00 0.00 C ATOM 916 C VAL A 55 7.873 -12.820 -13.769 1.00 0.00 C ATOM 917 O VAL A 55 7.099 -13.779 -13.710 1.00 0.00 O ATOM 918 CB VAL A 55 9.501 -13.040 -11.780 1.00 0.00 C ATOM 919 CG1 VAL A 55 8.510 -13.971 -11.138 1.00 0.00 C ATOM 920 CG2 VAL A 55 10.918 -13.438 -11.390 1.00 0.00 C ATOM 0 H VAL A 55 10.023 -11.062 -13.014 1.00 0.00 H new ATOM 0 HA VAL A 55 9.724 -13.874 -13.825 1.00 0.00 H new ATOM 0 HB VAL A 55 9.278 -12.041 -11.406 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.659 -13.972 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.497 -13.637 -11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.655 -14.980 -11.525 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.997 -13.484 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.151 -14.416 -11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.622 -12.700 -11.774 1.00 0.00 H new ATOM 930 N LEU A 56 7.513 -11.619 -14.298 1.00 0.00 N ATOM 931 CA LEU A 56 6.216 -11.232 -14.837 1.00 0.00 C ATOM 932 C LEU A 56 5.016 -11.535 -13.875 1.00 0.00 C ATOM 933 O LEU A 56 3.833 -11.346 -14.187 1.00 0.00 O ATOM 934 CB LEU A 56 6.134 -12.080 -16.029 1.00 0.00 C ATOM 935 CG LEU A 56 4.819 -12.204 -16.658 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.358 -10.899 -17.316 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.702 -13.417 -17.557 1.00 0.00 C ATOM 0 H LEU A 56 8.184 -10.853 -14.355 1.00 0.00 H new ATOM 0 HA LEU A 56 6.145 -10.159 -15.013 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.831 -11.692 -16.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.478 -13.079 -15.760 1.00 0.00 H new ATOM 0 HG LEU A 56 4.110 -12.388 -15.851 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.377 -11.046 -17.768 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.297 -10.114 -16.563 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.072 -10.608 -18.086 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.704 -13.452 -17.993 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.444 -13.353 -18.353 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.875 -14.321 -16.973 1.00 0.00 H new ATOM 949 N LYS A 57 5.333 -11.848 -12.722 1.00 0.00 N ATOM 950 CA LYS A 57 4.360 -12.280 -11.784 1.00 0.00 C ATOM 951 C LYS A 57 4.302 -11.492 -10.452 1.00 0.00 C ATOM 952 O LYS A 57 5.252 -11.546 -9.662 1.00 0.00 O ATOM 953 CB LYS A 57 4.679 -13.743 -11.581 1.00 0.00 C ATOM 954 CG LYS A 57 3.828 -14.579 -10.609 1.00 0.00 C ATOM 955 CD LYS A 57 2.465 -15.026 -11.131 1.00 0.00 C ATOM 956 CE LYS A 57 1.469 -13.903 -11.255 1.00 0.00 C ATOM 957 NZ LYS A 57 0.110 -14.427 -11.417 1.00 0.00 N ATOM 0 H LYS A 57 6.287 -11.822 -12.363 1.00 0.00 H new ATOM 0 HA LYS A 57 3.358 -12.099 -12.173 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.629 -14.226 -12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.714 -13.808 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.397 -15.466 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.674 -13.998 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.595 -15.495 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.061 -15.787 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.516 -13.270 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.726 -13.276 -12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.571 -13.642 -11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.032 -14.912 -12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.096 -15.099 -10.651 1.00 0.00 H new ATOM 971 N VAL A 58 3.269 -10.624 -10.308 1.00 0.00 N ATOM 972 CA VAL A 58 2.730 -10.195 -8.980 1.00 0.00 C ATOM 973 C VAL A 58 2.972 -11.241 -7.900 1.00 0.00 C ATOM 974 O VAL A 58 2.790 -12.448 -8.099 1.00 0.00 O ATOM 975 CB VAL A 58 1.197 -9.851 -9.054 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.345 -11.042 -9.473 1.00 0.00 C ATOM 977 CG2 VAL A 58 0.712 -9.284 -7.734 1.00 0.00 C ATOM 0 H VAL A 58 2.785 -10.201 -11.100 1.00 0.00 H new ATOM 0 HA VAL A 58 3.276 -9.291 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 58 1.082 -9.094 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.703 -10.745 -9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.657 -11.384 -10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.470 -11.850 -8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.351 -9.053 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.871 -10.017 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.267 -8.375 -7.503 1.00 0.00 H new ATOM 987 N CYS A 59 3.472 -10.773 -6.822 1.00 0.00 N ATOM 988 CA CYS A 59 3.782 -11.574 -5.722 1.00 0.00 C ATOM 989 C CYS A 59 2.901 -11.216 -4.542 1.00 0.00 C ATOM 990 O CYS A 59 2.432 -12.093 -3.878 1.00 0.00 O ATOM 991 CB CYS A 59 5.258 -11.402 -5.367 1.00 0.00 C ATOM 992 SG CYS A 59 5.843 -12.492 -4.069 1.00 0.00 S ATOM 0 H CYS A 59 3.681 -9.784 -6.684 1.00 0.00 H new ATOM 0 HA CYS A 59 3.598 -12.618 -5.974 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.856 -11.571 -6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.427 -10.370 -5.061 1.00 0.00 H new ATOM 0 HG CYS A 59 7.034 -12.921 -4.366 1.00 0.00 H new ATOM 998 N ALA A 60 2.608 -9.923 -4.334 1.00 0.00 N ATOM 999 CA ALA A 60 1.916 -9.531 -3.172 1.00 0.00 C ATOM 1000 C ALA A 60 1.005 -8.487 -3.447 1.00 0.00 C ATOM 1001 O ALA A 60 1.288 -7.586 -4.220 1.00 0.00 O ATOM 1002 CB ALA A 60 2.778 -9.000 -2.092 1.00 0.00 C ATOM 0 H ALA A 60 2.852 -9.163 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 60 1.434 -10.452 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.161 -8.723 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.495 -9.763 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.313 -8.122 -2.452 1.00 0.00 H new ATOM 1008 N ASN A 61 -0.058 -8.624 -2.847 1.00 0.00 N ATOM 1009 CA ASN A 61 -1.022 -7.606 -2.726 1.00 0.00 C ATOM 1010 C ASN A 61 -1.118 -7.119 -1.307 1.00 0.00 C ATOM 1011 O ASN A 61 -1.524 -7.834 -0.403 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.349 -8.057 -3.154 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.447 -7.040 -2.893 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.686 -6.196 -3.712 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -4.106 -7.111 -1.747 1.00 0.00 N ATOM 0 H ASN A 61 -0.326 -9.494 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.696 -6.794 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.321 -8.284 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.593 -8.985 -2.637 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.842 -6.436 -1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.878 -7.841 -1.072 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.705 -5.956 -1.138 1.00 0.00 N ATOM 1023 CA HIS A 62 -0.895 -5.204 0.082 1.00 0.00 C ATOM 1024 C HIS A 62 -1.935 -4.129 -0.184 1.00 0.00 C ATOM 1025 O HIS A 62 -1.841 -3.458 -1.152 1.00 0.00 O ATOM 1026 CB HIS A 62 0.389 -4.484 0.477 1.00 0.00 C ATOM 1027 CG HIS A 62 1.478 -5.300 1.025 1.00 0.00 C ATOM 1028 ND1 HIS A 62 1.667 -5.472 2.364 1.00 0.00 N ATOM 1029 CD2 HIS A 62 2.503 -5.916 0.418 1.00 0.00 C ATOM 1030 CE1 HIS A 62 2.755 -6.147 2.567 1.00 0.00 C ATOM 1031 NE2 HIS A 62 3.295 -6.434 1.398 1.00 0.00 N ATOM 0 H HIS A 62 -0.196 -5.440 -1.856 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.196 -5.891 0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.768 -3.963 -0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.135 -3.722 1.214 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.047 -5.123 3.095 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.669 -5.988 -0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.153 -6.427 3.531 1.00 0.00 H new ATOM 1039 N TRP A 63 -2.910 -3.992 0.635 1.00 0.00 N ATOM 1040 CA TRP A 63 -3.822 -2.896 0.523 1.00 0.00 C ATOM 1041 C TRP A 63 -3.256 -1.711 1.252 1.00 0.00 C ATOM 1042 O TRP A 63 -2.761 -1.835 2.365 1.00 0.00 O ATOM 1043 CB TRP A 63 -5.193 -3.226 1.089 1.00 0.00 C ATOM 1044 CG TRP A 63 -5.891 -4.349 0.386 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -6.259 -4.390 -0.929 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.344 -5.571 0.968 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -6.893 -5.572 -1.203 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -6.964 -6.315 -0.053 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -6.279 -6.112 2.253 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -7.515 -7.568 0.174 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.830 -7.354 2.475 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -7.439 -8.070 1.443 1.00 0.00 C ATOM 0 H TRP A 63 -3.106 -4.632 1.405 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.949 -2.676 -0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.087 -3.482 2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.819 -2.335 1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.076 -3.605 -1.647 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.254 -5.854 -2.114 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.806 -5.567 3.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.986 -8.126 -0.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.790 -7.782 3.466 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.860 -9.043 1.652 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.344 -0.571 0.649 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.794 0.587 1.180 1.00 0.00 C ATOM 1065 C ILE A 64 -3.910 1.321 1.916 1.00 0.00 C ATOM 1066 O ILE A 64 -4.786 1.941 1.325 1.00 0.00 O ATOM 1067 CB ILE A 64 -2.013 1.407 0.051 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -1.479 2.772 0.519 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -2.810 1.543 -1.245 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.549 3.786 0.666 1.00 0.00 C ATOM 0 H ILE A 64 -3.815 -0.438 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.015 0.393 1.918 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.137 0.795 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.967 2.649 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.739 3.132 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.228 2.109 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.026 0.552 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.745 2.065 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.114 4.729 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.045 3.933 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.277 3.443 1.402 1.00 0.00 H new ATOM 1082 N THR A 65 -3.959 1.070 3.177 1.00 0.00 N ATOM 1083 CA THR A 65 -4.933 1.648 4.037 1.00 0.00 C ATOM 1084 C THR A 65 -4.345 1.936 5.396 1.00 0.00 C ATOM 1085 O THR A 65 -3.287 1.410 5.752 1.00 0.00 O ATOM 1086 CB THR A 65 -6.179 0.729 4.144 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.146 1.219 5.097 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.800 -0.715 4.445 1.00 0.00 C ATOM 0 H THR A 65 -3.309 0.443 3.651 1.00 0.00 H new ATOM 0 HA THR A 65 -5.253 2.598 3.608 1.00 0.00 H new ATOM 0 HB THR A 65 -6.654 0.750 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.475 0.474 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.703 -1.322 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.163 -1.098 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.262 -0.760 5.392 1.00 0.00 H new ATOM 1096 N THR A 66 -5.044 2.756 6.136 1.00 0.00 N ATOM 1097 CA THR A 66 -4.748 3.078 7.517 1.00 0.00 C ATOM 1098 C THR A 66 -5.172 1.922 8.438 1.00 0.00 C ATOM 1099 O THR A 66 -4.933 1.929 9.641 1.00 0.00 O ATOM 1100 CB THR A 66 -5.467 4.343 7.929 1.00 0.00 C ATOM 1101 OG1 THR A 66 -6.843 4.265 7.545 1.00 0.00 O ATOM 1102 CG2 THR A 66 -4.849 5.549 7.309 1.00 0.00 C ATOM 0 H THR A 66 -5.870 3.240 5.783 1.00 0.00 H new ATOM 0 HA THR A 66 -3.673 3.233 7.609 1.00 0.00 H new ATOM 0 HB THR A 66 -5.386 4.436 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.305 5.086 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.391 6.440 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.808 5.626 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.895 5.464 6.223 1.00 0.00 H new ATOM 1110 N THR A 67 -5.773 0.910 7.827 1.00 0.00 N ATOM 1111 CA THR A 67 -6.292 -0.269 8.504 1.00 0.00 C ATOM 1112 C THR A 67 -5.108 -1.227 8.726 1.00 0.00 C ATOM 1113 O THR A 67 -5.202 -2.287 9.348 1.00 0.00 O ATOM 1114 CB THR A 67 -7.349 -0.927 7.562 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.364 0.042 7.214 1.00 0.00 O ATOM 1116 CG2 THR A 67 -7.995 -2.158 8.173 1.00 0.00 C ATOM 0 H THR A 67 -5.917 0.887 6.817 1.00 0.00 H new ATOM 0 HA THR A 67 -6.756 -0.027 9.460 1.00 0.00 H new ATOM 0 HB THR A 67 -6.822 -1.256 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.024 -0.374 6.621 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.721 -2.573 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.229 -2.903 8.386 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.500 -1.882 9.099 1.00 0.00 H new ATOM 1124 N MET A 68 -3.994 -0.762 8.282 1.00 0.00 N ATOM 1125 CA MET A 68 -2.805 -1.416 8.283 1.00 0.00 C ATOM 1126 C MET A 68 -1.801 -0.344 8.596 1.00 0.00 C ATOM 1127 O MET A 68 -2.088 0.843 8.455 1.00 0.00 O ATOM 1128 CB MET A 68 -2.563 -1.923 6.899 1.00 0.00 C ATOM 1129 CG MET A 68 -1.297 -2.726 6.746 1.00 0.00 C ATOM 1130 SD MET A 68 -0.806 -2.916 5.023 1.00 0.00 S ATOM 1131 CE MET A 68 -0.557 -1.209 4.535 1.00 0.00 C ATOM 0 H MET A 68 -3.924 0.173 7.880 1.00 0.00 H new ATOM 0 HA MET A 68 -2.761 -2.250 8.983 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.409 -2.540 6.597 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.527 -1.075 6.215 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.493 -2.240 7.298 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.439 -3.711 7.191 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.129 -1.169 3.689 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.512 -0.769 4.249 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.136 -0.650 5.370 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.691 -0.741 8.977 1.00 0.00 N ATOM 1142 CA ASN A 69 0.355 0.133 9.391 1.00 0.00 C ATOM 1143 C ASN A 69 1.676 -0.368 8.880 1.00 0.00 C ATOM 1144 O ASN A 69 1.872 -1.581 8.752 1.00 0.00 O ATOM 1145 CB ASN A 69 0.345 0.126 10.896 1.00 0.00 C ATOM 1146 CG ASN A 69 1.510 0.851 11.555 1.00 0.00 C ATOM 1147 OD1 ASN A 69 1.471 2.072 11.752 1.00 0.00 O ATOM 1148 ND2 ASN A 69 2.514 0.107 11.952 1.00 0.00 N ATOM 0 H ASN A 69 -0.440 -1.728 9.024 1.00 0.00 H new ATOM 0 HA ASN A 69 0.209 1.140 9.000 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.585 0.579 11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.341 -0.909 11.239 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.301 0.532 12.443 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.508 -0.897 11.770 1.00 0.00 H new ATOM 1155 N LEU A 70 2.546 0.552 8.541 1.00 0.00 N ATOM 1156 CA LEU A 70 3.820 0.269 8.174 1.00 0.00 C ATOM 1157 C LEU A 70 4.739 0.256 9.384 1.00 0.00 C ATOM 1158 O LEU A 70 4.737 1.140 10.238 1.00 0.00 O ATOM 1159 CB LEU A 70 4.268 1.128 7.001 1.00 0.00 C ATOM 1160 CG LEU A 70 4.076 2.627 7.026 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.858 3.218 8.130 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.562 3.142 5.717 1.00 0.00 C ATOM 0 H LEU A 70 2.328 1.548 8.529 1.00 0.00 H new ATOM 0 HA LEU A 70 3.874 -0.746 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.332 0.943 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.756 0.754 6.115 1.00 0.00 H new ATOM 0 HG LEU A 70 3.030 2.888 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.714 4.298 8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.523 2.798 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.915 2.995 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.444 4.225 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.615 2.888 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.984 2.691 4.911 1.00 0.00 H new ATOM 1174 N LYS A 71 5.407 -0.762 9.462 1.00 0.00 N ATOM 1175 CA LYS A 71 6.282 -1.098 10.559 1.00 0.00 C ATOM 1176 C LYS A 71 7.704 -1.304 10.031 1.00 0.00 C ATOM 1177 O LYS A 71 7.897 -2.070 9.115 1.00 0.00 O ATOM 1178 CB LYS A 71 5.735 -2.390 11.176 1.00 0.00 C ATOM 1179 CG LYS A 71 6.475 -2.934 12.375 1.00 0.00 C ATOM 1180 CD LYS A 71 5.775 -4.187 12.869 1.00 0.00 C ATOM 1181 CE LYS A 71 6.453 -4.795 14.074 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.819 -5.233 13.780 1.00 0.00 N ATOM 0 H LYS A 71 5.396 -1.475 8.733 1.00 0.00 H new ATOM 0 HA LYS A 71 6.319 -0.306 11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.698 -2.217 11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.726 -3.159 10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.507 -3.161 12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.508 -2.186 13.167 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.742 -3.946 13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.744 -4.922 12.065 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.474 -4.065 14.883 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.869 -5.645 14.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.184 -5.792 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.819 -5.817 12.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.426 -4.401 13.634 1.00 0.00 H new ATOM 1196 N PRO A 72 8.704 -0.609 10.572 1.00 0.00 N ATOM 1197 CA PRO A 72 10.084 -0.746 10.109 1.00 0.00 C ATOM 1198 C PRO A 72 10.753 -2.038 10.615 1.00 0.00 C ATOM 1199 O PRO A 72 10.356 -2.606 11.649 1.00 0.00 O ATOM 1200 CB PRO A 72 10.776 0.488 10.684 1.00 0.00 C ATOM 1201 CG PRO A 72 10.007 0.814 11.918 1.00 0.00 C ATOM 1202 CD PRO A 72 8.583 0.365 11.676 1.00 0.00 C ATOM 0 HA PRO A 72 10.144 -0.813 9.023 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.822 0.285 10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.759 1.317 9.976 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.431 0.305 12.784 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.045 1.883 12.126 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.151 -0.091 12.566 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.941 1.202 11.403 1.00 0.00 H new ATOM 1210 N LEU A 73 11.725 -2.527 9.858 1.00 0.00 N ATOM 1211 CA LEU A 73 12.463 -3.694 10.183 1.00 0.00 C ATOM 1212 C LEU A 73 13.602 -3.336 11.147 1.00 0.00 C ATOM 1213 O LEU A 73 13.643 -2.239 11.719 1.00 0.00 O ATOM 1214 CB LEU A 73 13.133 -4.206 8.905 1.00 0.00 C ATOM 1215 CG LEU A 73 12.419 -4.033 7.558 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.237 -4.675 6.444 1.00 0.00 C ATOM 1217 CD2 LEU A 73 11.032 -4.615 7.581 1.00 0.00 C ATOM 0 H LEU A 73 12.014 -2.095 8.980 1.00 0.00 H new ATOM 0 HA LEU A 73 11.791 -4.429 10.627 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.103 -3.716 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.323 -5.271 9.040 1.00 0.00 H new ATOM 0 HG LEU A 73 12.326 -2.963 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.721 -4.546 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.217 -4.200 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.359 -5.739 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.561 -4.472 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.088 -5.681 7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.440 -4.115 8.348 1.00 0.00 H new ATOM 1229 N SER A 74 14.500 -4.264 11.330 1.00 0.00 N ATOM 1230 CA SER A 74 15.752 -3.989 11.972 1.00 0.00 C ATOM 1231 C SER A 74 16.745 -3.772 10.916 1.00 0.00 C ATOM 1232 O SER A 74 16.604 -4.340 9.818 1.00 0.00 O ATOM 1233 CB SER A 74 16.252 -5.147 12.777 1.00 0.00 C ATOM 1234 OG SER A 74 15.566 -5.275 14.006 1.00 0.00 O ATOM 0 H SER A 74 14.382 -5.234 11.037 1.00 0.00 H new ATOM 0 HA SER A 74 15.607 -3.133 12.632 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.137 -6.065 12.201 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.318 -5.022 12.968 1.00 0.00 H new ATOM 0 HG SER A 74 15.921 -6.043 14.500 1.00 0.00 H new ATOM 1240 N GLY A 75 17.720 -2.960 11.184 1.00 0.00 N ATOM 1241 CA GLY A 75 18.749 -2.798 10.232 1.00 0.00 C ATOM 1242 C GLY A 75 18.366 -1.787 9.153 1.00 0.00 C ATOM 1243 O GLY A 75 19.143 -0.877 8.827 1.00 0.00 O ATOM 0 H GLY A 75 17.816 -2.413 12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.659 -2.469 10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.970 -3.759 9.768 1.00 0.00 H new ATOM 1247 N SER A 76 17.192 -1.962 8.591 1.00 0.00 N ATOM 1248 CA SER A 76 16.607 -1.073 7.717 1.00 0.00 C ATOM 1249 C SER A 76 15.977 0.013 8.528 1.00 0.00 C ATOM 1250 O SER A 76 15.288 -0.244 9.517 1.00 0.00 O ATOM 1251 CB SER A 76 15.570 -1.841 6.975 1.00 0.00 C ATOM 1252 OG SER A 76 16.131 -3.018 6.436 1.00 0.00 O ATOM 0 H SER A 76 16.618 -2.787 8.766 1.00 0.00 H new ATOM 0 HA SER A 76 17.318 -0.627 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.747 -2.094 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 76 15.155 -1.228 6.175 1.00 0.00 H new ATOM 0 HG SER A 76 15.897 -3.087 5.487 1.00 0.00 H new ATOM 1258 N ASP A 77 16.192 1.196 8.113 1.00 0.00 N ATOM 1259 CA ASP A 77 15.752 2.327 8.772 1.00 0.00 C ATOM 1260 C ASP A 77 14.523 2.732 8.149 1.00 0.00 C ATOM 1261 O ASP A 77 13.529 3.030 8.805 1.00 0.00 O ATOM 1262 CB ASP A 77 16.772 3.480 8.657 1.00 0.00 C ATOM 1263 CG ASP A 77 17.338 3.715 7.270 1.00 0.00 C ATOM 1264 OD1 ASP A 77 17.907 2.765 6.675 1.00 0.00 O ATOM 1265 OD2 ASP A 77 17.249 4.851 6.775 1.00 0.00 O ATOM 0 H ASP A 77 16.709 1.399 7.257 1.00 0.00 H new ATOM 0 HA ASP A 77 15.619 2.102 9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.295 4.399 8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.599 3.280 9.339 1.00 0.00 H new ATOM 1270 N ARG A 78 14.540 2.669 6.869 1.00 0.00 N ATOM 1271 CA ARG A 78 13.502 3.204 6.147 1.00 0.00 C ATOM 1272 C ARG A 78 12.825 2.232 5.218 1.00 0.00 C ATOM 1273 O ARG A 78 12.097 2.608 4.344 1.00 0.00 O ATOM 1274 CB ARG A 78 13.896 4.537 5.556 1.00 0.00 C ATOM 1275 CG ARG A 78 13.837 5.740 6.509 1.00 0.00 C ATOM 1276 CD ARG A 78 12.434 6.055 7.053 1.00 0.00 C ATOM 1277 NE ARG A 78 12.032 5.196 8.174 1.00 0.00 N ATOM 1278 CZ ARG A 78 11.075 5.486 9.065 1.00 0.00 C ATOM 1279 NH1 ARG A 78 10.409 6.631 8.995 1.00 0.00 N ATOM 1280 NH2 ARG A 78 10.812 4.633 10.040 1.00 0.00 N ATOM 0 H ARG A 78 15.282 2.242 6.315 1.00 0.00 H new ATOM 0 HA ARG A 78 12.689 3.423 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.912 4.455 5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.246 4.741 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.505 5.554 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.217 6.619 5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.403 7.096 7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.708 5.949 6.247 1.00 0.00 H new ATOM 0 HE ARG A 78 12.521 4.307 8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.624 7.302 8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.682 6.841 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.336 3.761 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.085 4.847 10.722 1.00 0.00 H new ATOM 1294 N ALA A 79 12.979 0.992 5.527 1.00 0.00 N ATOM 1295 CA ALA A 79 12.288 -0.062 4.841 1.00 0.00 C ATOM 1296 C ALA A 79 11.236 -0.546 5.799 1.00 0.00 C ATOM 1297 O ALA A 79 11.474 -0.601 7.023 1.00 0.00 O ATOM 1298 CB ALA A 79 13.216 -1.191 4.509 1.00 0.00 C ATOM 0 H ALA A 79 13.595 0.669 6.273 1.00 0.00 H new ATOM 0 HA ALA A 79 11.867 0.296 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.664 -1.975 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.018 -0.826 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.641 -1.595 5.428 1.00 0.00 H new ATOM 1304 N TRP A 80 10.115 -0.905 5.278 1.00 0.00 N ATOM 1305 CA TRP A 80 8.947 -1.097 6.068 1.00 0.00 C ATOM 1306 C TRP A 80 8.241 -2.350 5.693 1.00 0.00 C ATOM 1307 O TRP A 80 8.452 -2.921 4.618 1.00 0.00 O ATOM 1308 CB TRP A 80 7.979 0.114 5.949 1.00 0.00 C ATOM 1309 CG TRP A 80 8.420 1.145 4.946 1.00 0.00 C ATOM 1310 CD1 TRP A 80 8.933 2.367 5.216 1.00 0.00 C ATOM 1311 CD2 TRP A 80 8.436 1.018 3.519 1.00 0.00 C ATOM 1312 NE1 TRP A 80 9.255 3.009 4.051 1.00 0.00 N ATOM 1313 CE2 TRP A 80 8.963 2.206 3.002 1.00 0.00 C ATOM 1314 CE3 TRP A 80 8.056 0.019 2.637 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 9.123 2.420 1.650 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 8.219 0.234 1.290 1.00 0.00 C ATOM 1317 CH2 TRP A 80 8.743 1.422 0.812 1.00 0.00 C ATOM 0 H TRP A 80 9.981 -1.076 4.281 1.00 0.00 H new ATOM 0 HA TRP A 80 9.272 -1.180 7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 80 6.989 -0.249 5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 80 7.883 0.588 6.926 1.00 0.00 H new ATOM 0 HD1 TRP A 80 9.069 2.776 6.206 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.653 3.946 3.984 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.640 -0.909 3.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 9.534 3.345 1.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.933 -0.538 0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.852 1.559 -0.254 1.00 0.00 H new ATOM 1328 N MET A 81 7.431 -2.754 6.576 1.00 0.00 N ATOM 1329 CA MET A 81 6.665 -3.892 6.500 1.00 0.00 C ATOM 1330 C MET A 81 5.315 -3.469 6.755 1.00 0.00 C ATOM 1331 O MET A 81 5.070 -2.471 7.416 1.00 0.00 O ATOM 1332 CB MET A 81 7.124 -4.891 7.533 1.00 0.00 C ATOM 1333 CG MET A 81 6.376 -6.203 7.633 1.00 0.00 C ATOM 1334 SD MET A 81 7.065 -7.270 8.917 1.00 0.00 S ATOM 1335 CE MET A 81 8.742 -7.497 8.328 1.00 0.00 C ATOM 0 H MET A 81 7.282 -2.241 7.445 1.00 0.00 H new ATOM 0 HA MET A 81 6.747 -4.379 5.529 1.00 0.00 H new ATOM 0 HB2 MET A 81 8.172 -5.118 7.336 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.081 -4.407 8.509 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.325 -6.007 7.848 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.415 -6.718 6.673 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.350 -7.934 9.120 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.737 -8.162 7.465 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.160 -6.532 8.040 1.00 0.00 H new ATOM 1345 N TRP A 82 4.485 -4.171 6.250 1.00 0.00 N ATOM 1346 CA TRP A 82 3.127 -3.905 6.333 1.00 0.00 C ATOM 1347 C TRP A 82 2.520 -5.204 6.679 1.00 0.00 C ATOM 1348 O TRP A 82 3.080 -6.258 6.298 1.00 0.00 O ATOM 1349 CB TRP A 82 2.541 -3.482 4.981 1.00 0.00 C ATOM 1350 CG TRP A 82 3.107 -2.254 4.349 1.00 0.00 C ATOM 1351 CD1 TRP A 82 2.978 -0.988 4.788 1.00 0.00 C ATOM 1352 CD2 TRP A 82 3.824 -2.179 3.113 1.00 0.00 C ATOM 1353 NE1 TRP A 82 3.599 -0.121 3.925 1.00 0.00 N ATOM 1354 CE2 TRP A 82 4.121 -0.831 2.887 1.00 0.00 C ATOM 1355 CE3 TRP A 82 4.253 -3.124 2.183 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 4.820 -0.399 1.771 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 4.944 -2.700 1.075 1.00 0.00 C ATOM 1358 CH2 TRP A 82 5.223 -1.349 0.875 1.00 0.00 C ATOM 0 H TRP A 82 4.709 -5.015 5.722 1.00 0.00 H new ATOM 0 HA TRP A 82 2.940 -3.102 7.046 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.667 -4.310 4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.469 -3.333 5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.460 -0.697 5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.660 0.890 4.042 1.00 0.00 H new ATOM 0 HE3 TRP A 82 4.045 -4.173 2.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 5.038 0.647 1.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.277 -3.425 0.347 1.00 0.00 H new ATOM 0 HH2 TRP A 82 5.769 -1.047 -0.006 1.00 0.00 H new ATOM 1369 N LEU A 83 1.452 -5.221 7.369 1.00 0.00 N ATOM 1370 CA LEU A 83 0.843 -6.485 7.511 1.00 0.00 C ATOM 1371 C LEU A 83 -0.347 -6.544 6.590 1.00 0.00 C ATOM 1372 O LEU A 83 -1.266 -5.744 6.698 1.00 0.00 O ATOM 1373 CB LEU A 83 0.431 -6.821 8.949 1.00 0.00 C ATOM 1374 CG LEU A 83 -0.517 -5.834 9.684 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -1.177 -6.538 10.856 1.00 0.00 C ATOM 1376 CD2 LEU A 83 0.258 -4.630 10.221 1.00 0.00 C ATOM 0 H LEU A 83 0.998 -4.428 7.822 1.00 0.00 H new ATOM 0 HA LEU A 83 1.584 -7.239 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.048 -7.800 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.340 -6.917 9.543 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.266 -5.492 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.842 -5.844 11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.753 -7.389 10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.411 -6.887 11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.428 -3.954 10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.020 -4.971 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.735 -4.106 9.393 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.368 -7.515 5.757 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.407 -7.616 4.765 1.00 0.00 C ATOM 1390 C ALA A 84 -1.746 -9.022 4.496 1.00 0.00 C ATOM 1391 O ALA A 84 -0.975 -9.932 4.814 1.00 0.00 O ATOM 1392 CB ALA A 84 -0.986 -6.968 3.455 1.00 0.00 C ATOM 0 H ALA A 84 0.322 -8.265 5.730 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.276 -7.096 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.792 -7.061 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.770 -5.913 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.094 -7.465 3.074 1.00 0.00 H new ATOM 1398 N SER A 85 -2.878 -9.224 3.947 1.00 0.00 N ATOM 1399 CA SER A 85 -3.189 -10.415 3.392 1.00 0.00 C ATOM 1400 C SER A 85 -2.921 -10.399 1.960 1.00 0.00 C ATOM 1401 O SER A 85 -3.615 -9.755 1.157 1.00 0.00 O ATOM 1402 CB SER A 85 -4.550 -10.787 3.730 1.00 0.00 C ATOM 1403 OG SER A 85 -5.294 -9.656 4.186 1.00 0.00 O ATOM 0 H SER A 85 -3.616 -8.523 3.885 1.00 0.00 H new ATOM 0 HA SER A 85 -2.548 -11.194 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.039 -11.220 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.539 -11.555 4.504 1.00 0.00 H new ATOM 0 HG SER A 85 -5.604 -9.136 3.415 1.00 0.00 H new ATOM 1409 N ASP A 86 -1.902 -11.088 1.644 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.510 -11.191 0.316 1.00 0.00 C ATOM 1411 C ASP A 86 -1.916 -12.513 -0.205 1.00 0.00 C ATOM 1412 O ASP A 86 -1.527 -13.524 0.340 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.028 -10.920 0.056 1.00 0.00 C ATOM 1414 CG ASP A 86 0.435 -11.618 -1.222 1.00 0.00 C ATOM 1415 OD1 ASP A 86 -0.188 -11.364 -2.313 1.00 0.00 O ATOM 1416 OD2 ASP A 86 1.392 -12.441 -1.151 1.00 0.00 O ATOM 0 H ASP A 86 -1.318 -11.597 2.307 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.022 -10.393 -0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.141 -9.846 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.564 -11.270 0.902 1.00 0.00 H new ATOM 1421 N PHE A 87 -2.722 -12.507 -1.237 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.211 -13.685 -1.790 1.00 0.00 C ATOM 1423 C PHE A 87 -3.571 -13.505 -3.224 1.00 0.00 C ATOM 1424 O PHE A 87 -4.360 -14.251 -3.790 1.00 0.00 O ATOM 1425 CB PHE A 87 -4.359 -14.079 -0.971 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.452 -13.036 -0.757 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -6.274 -12.621 -1.801 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -5.655 -12.487 0.494 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -7.261 -11.684 -1.600 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -6.645 -11.546 0.701 1.00 0.00 C ATOM 1431 CZ PHE A 87 -7.447 -11.146 -0.349 1.00 0.00 C ATOM 0 H PHE A 87 -3.044 -11.658 -1.702 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.455 -14.470 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.815 -14.957 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.987 -14.385 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.134 -13.042 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.032 -12.797 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.888 -11.372 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.791 -11.123 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.221 -10.410 -0.187 1.00 0.00 H new ATOM 1441 N SER A 88 -2.992 -12.512 -3.802 1.00 0.00 N ATOM 1442 CA SER A 88 -3.209 -12.241 -5.209 1.00 0.00 C ATOM 1443 C SER A 88 -2.556 -13.316 -5.968 1.00 0.00 C ATOM 1444 O SER A 88 -3.043 -13.783 -6.995 1.00 0.00 O ATOM 1445 CB SER A 88 -2.738 -10.857 -5.632 1.00 0.00 C ATOM 1446 OG SER A 88 -3.610 -9.871 -5.111 1.00 0.00 O ATOM 0 H SER A 88 -2.360 -11.863 -3.334 1.00 0.00 H new ATOM 0 HA SER A 88 -4.279 -12.230 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.723 -10.683 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.708 -10.790 -6.720 1.00 0.00 H new ATOM 0 HG SER A 88 -4.410 -9.812 -5.673 1.00 0.00 H new ATOM 1452 N ASP A 89 -1.440 -13.714 -5.411 1.00 0.00 N ATOM 1453 CA ASP A 89 -0.687 -14.792 -5.883 1.00 0.00 C ATOM 1454 C ASP A 89 0.141 -15.252 -4.702 1.00 0.00 C ATOM 1455 O ASP A 89 1.153 -15.914 -4.850 1.00 0.00 O ATOM 1456 CB ASP A 89 0.207 -14.334 -7.040 1.00 0.00 C ATOM 1457 CG ASP A 89 0.671 -15.464 -7.942 1.00 0.00 C ATOM 1458 OD1 ASP A 89 1.702 -16.101 -7.665 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -0.003 -15.723 -8.979 1.00 0.00 O ATOM 0 H ASP A 89 -1.038 -13.264 -4.589 1.00 0.00 H new ATOM 0 HA ASP A 89 -1.310 -15.600 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.336 -13.603 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.081 -13.825 -6.632 1.00 0.00 H new ATOM 1464 N GLY A 90 -0.318 -14.908 -3.479 1.00 0.00 N ATOM 1465 CA GLY A 90 0.446 -15.247 -2.350 1.00 0.00 C ATOM 1466 C GLY A 90 -0.256 -16.230 -1.534 1.00 0.00 C ATOM 1467 O GLY A 90 0.318 -16.766 -0.550 1.00 0.00 O ATOM 0 H GLY A 90 -1.190 -14.412 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.410 -15.648 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.649 -14.354 -1.759 1.00 0.00 H new ATOM 1471 N ASP A 91 -1.513 -16.494 -1.958 1.00 0.00 N ATOM 1472 CA ASP A 91 -2.428 -17.458 -1.298 1.00 0.00 C ATOM 1473 C ASP A 91 -2.941 -16.850 -0.014 1.00 0.00 C ATOM 1474 O ASP A 91 -2.241 -16.081 0.582 1.00 0.00 O ATOM 1475 CB ASP A 91 -1.699 -18.770 -1.093 1.00 0.00 C ATOM 1476 CG ASP A 91 -2.328 -19.694 -0.091 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -3.214 -20.483 -0.464 1.00 0.00 O ATOM 1478 OD2 ASP A 91 -1.927 -19.662 1.085 1.00 0.00 O ATOM 0 H ASP A 91 -1.925 -16.041 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.298 -17.672 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.634 -19.286 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.678 -18.556 -0.777 1.00 0.00 H new ATOM 1483 N ALA A 92 -4.138 -17.197 0.446 1.00 0.00 N ATOM 1484 CA ALA A 92 -4.734 -16.393 1.507 1.00 0.00 C ATOM 1485 C ALA A 92 -4.060 -16.606 2.830 1.00 0.00 C ATOM 1486 O ALA A 92 -4.272 -17.606 3.531 1.00 0.00 O ATOM 1487 CB ALA A 92 -6.216 -16.654 1.614 1.00 0.00 C ATOM 0 H ALA A 92 -4.692 -17.989 0.121 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.584 -15.348 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.636 -16.042 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.699 -16.401 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.385 -17.708 1.837 1.00 0.00 H new ATOM 1493 N LYS A 93 -3.181 -15.679 3.106 1.00 0.00 N ATOM 1494 CA LYS A 93 -2.445 -15.584 4.274 1.00 0.00 C ATOM 1495 C LYS A 93 -2.424 -14.146 4.715 1.00 0.00 C ATOM 1496 O LYS A 93 -2.399 -13.264 3.858 1.00 0.00 O ATOM 1497 CB LYS A 93 -1.028 -15.893 3.932 1.00 0.00 C ATOM 1498 CG LYS A 93 -0.690 -17.301 3.508 1.00 0.00 C ATOM 1499 CD LYS A 93 0.806 -17.410 3.266 1.00 0.00 C ATOM 1500 CE LYS A 93 1.205 -18.753 2.692 1.00 0.00 C ATOM 1501 NZ LYS A 93 0.634 -18.968 1.348 1.00 0.00 N ATOM 0 H LYS A 93 -2.968 -14.928 2.450 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.866 -16.245 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.725 -15.221 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.415 -15.650 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.997 -18.008 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.236 -17.560 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.119 -16.620 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.335 -17.248 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.292 -18.817 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.871 -19.547 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.278 -19.562 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.288 -19.442 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.508 -18.051 0.873 1.00 0.00 H new ATOM 1515 N LEU A 94 -2.453 -13.881 5.993 1.00 0.00 N ATOM 1516 CA LEU A 94 -2.081 -12.559 6.420 1.00 0.00 C ATOM 1517 C LEU A 94 -0.722 -12.658 7.034 1.00 0.00 C ATOM 1518 O LEU A 94 -0.494 -13.422 7.981 1.00 0.00 O ATOM 1519 CB LEU A 94 -3.088 -11.801 7.310 1.00 0.00 C ATOM 1520 CG LEU A 94 -3.428 -12.375 8.707 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -4.155 -11.325 9.530 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -4.312 -13.610 8.593 1.00 0.00 C ATOM 0 H LEU A 94 -2.719 -14.533 6.731 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.078 -11.925 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.707 -10.790 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.021 -11.714 6.753 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.493 -12.655 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.392 -11.733 10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.518 -10.448 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.077 -11.040 9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.535 -13.991 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.242 -13.347 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.793 -14.377 8.018 1.00 0.00 H new ATOM 1534 N GLU A 95 0.172 -11.926 6.500 1.00 0.00 N ATOM 1535 CA GLU A 95 1.486 -12.046 6.784 1.00 0.00 C ATOM 1536 C GLU A 95 2.046 -10.700 6.738 1.00 0.00 C ATOM 1537 O GLU A 95 1.436 -9.755 6.219 1.00 0.00 O ATOM 1538 CB GLU A 95 2.101 -13.038 5.801 1.00 0.00 C ATOM 1539 CG GLU A 95 3.472 -13.579 6.169 1.00 0.00 C ATOM 1540 CD GLU A 95 3.888 -14.707 5.258 1.00 0.00 C ATOM 1541 OE1 GLU A 95 4.379 -14.447 4.150 1.00 0.00 O ATOM 1542 OE2 GLU A 95 3.722 -15.892 5.655 1.00 0.00 O ATOM 0 H GLU A 95 -0.036 -11.196 5.819 1.00 0.00 H new ATOM 0 HA GLU A 95 1.695 -12.450 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.418 -13.880 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.173 -12.556 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.207 -12.776 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.460 -13.930 7.201 1.00 0.00 H new ATOM 1549 N GLN A 96 3.133 -10.595 7.268 1.00 0.00 N ATOM 1550 CA GLN A 96 3.764 -9.430 7.342 1.00 0.00 C ATOM 1551 C GLN A 96 4.778 -9.490 6.257 1.00 0.00 C ATOM 1552 O GLN A 96 5.628 -10.351 6.220 1.00 0.00 O ATOM 1553 CB GLN A 96 4.378 -9.214 8.718 1.00 0.00 C ATOM 1554 CG GLN A 96 3.354 -9.142 9.839 1.00 0.00 C ATOM 1555 CD GLN A 96 3.968 -8.915 11.205 1.00 0.00 C ATOM 1556 OE1 GLN A 96 5.089 -9.325 11.483 1.00 0.00 O ATOM 1557 NE2 GLN A 96 3.242 -8.248 12.062 1.00 0.00 N ATOM 0 H GLN A 96 3.638 -11.375 7.690 1.00 0.00 H new ATOM 0 HA GLN A 96 3.095 -8.579 7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.075 -10.025 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.957 -8.291 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.651 -8.336 9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.781 -10.069 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.313 -7.921 11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.605 -8.054 12.995 1.00 0.00 H new ATOM 1566 N LEU A 97 4.601 -8.678 5.353 1.00 0.00 N ATOM 1567 CA LEU A 97 5.434 -8.587 4.233 1.00 0.00 C ATOM 1568 C LEU A 97 6.098 -7.238 4.203 1.00 0.00 C ATOM 1569 O LEU A 97 5.470 -6.224 4.502 1.00 0.00 O ATOM 1570 CB LEU A 97 4.615 -8.811 2.984 1.00 0.00 C ATOM 1571 CG LEU A 97 4.534 -10.225 2.387 1.00 0.00 C ATOM 1572 CD1 LEU A 97 3.899 -11.201 3.341 1.00 0.00 C ATOM 1573 CD2 LEU A 97 3.751 -10.193 1.100 1.00 0.00 C ATOM 0 H LEU A 97 3.833 -8.007 5.348 1.00 0.00 H new ATOM 0 HA LEU A 97 6.211 -9.350 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.597 -8.485 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.007 -8.150 2.211 1.00 0.00 H new ATOM 0 HG LEU A 97 5.553 -10.561 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.861 -12.188 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.488 -11.250 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.887 -10.872 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.697 -11.198 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.743 -9.827 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.246 -9.530 0.390 1.00 0.00 H new ATOM 1585 N ALA A 98 7.330 -7.221 3.831 1.00 0.00 N ATOM 1586 CA ALA A 98 8.106 -6.022 3.827 1.00 0.00 C ATOM 1587 C ALA A 98 8.520 -5.670 2.448 1.00 0.00 C ATOM 1588 O ALA A 98 8.461 -6.497 1.552 1.00 0.00 O ATOM 1589 CB ALA A 98 9.318 -6.145 4.733 1.00 0.00 C ATOM 0 H ALA A 98 7.837 -8.048 3.516 1.00 0.00 H new ATOM 0 HA ALA A 98 7.479 -5.220 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.887 -5.216 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.991 -6.342 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.948 -6.966 4.389 1.00 0.00 H new ATOM 1595 N ALA A 99 8.897 -4.452 2.280 1.00 0.00 N ATOM 1596 CA ALA A 99 9.384 -3.962 1.047 1.00 0.00 C ATOM 1597 C ALA A 99 10.428 -2.931 1.347 1.00 0.00 C ATOM 1598 O ALA A 99 10.329 -2.209 2.347 1.00 0.00 O ATOM 1599 CB ALA A 99 8.261 -3.378 0.212 1.00 0.00 C ATOM 0 H ALA A 99 8.873 -3.751 3.021 1.00 0.00 H new ATOM 0 HA ALA A 99 9.818 -4.774 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.663 -3.008 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.517 -4.149 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.794 -2.556 0.754 1.00 0.00 H new ATOM 1605 N LYS A 100 11.442 -2.886 0.555 1.00 0.00 N ATOM 1606 CA LYS A 100 12.459 -1.997 0.730 1.00 0.00 C ATOM 1607 C LYS A 100 12.877 -1.475 -0.558 1.00 0.00 C ATOM 1608 O LYS A 100 12.830 -2.154 -1.593 1.00 0.00 O ATOM 1609 CB LYS A 100 13.628 -2.605 1.456 1.00 0.00 C ATOM 1610 CG LYS A 100 14.274 -3.820 0.807 1.00 0.00 C ATOM 1611 CD LYS A 100 15.384 -4.396 1.687 1.00 0.00 C ATOM 1612 CE LYS A 100 16.501 -3.390 1.941 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.559 -3.950 2.802 1.00 0.00 N ATOM 0 H LYS A 100 11.559 -3.502 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 100 12.087 -1.183 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.392 -1.837 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.299 -2.887 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.517 -4.584 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.684 -3.541 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.961 -4.714 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 100 15.799 -5.284 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.933 -3.079 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.086 -2.497 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.300 -3.235 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.152 -4.223 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 17.973 -4.787 2.344 1.00 0.00 H new ATOM 1627 N PHE A 101 13.214 -0.300 -0.498 1.00 0.00 N ATOM 1628 CA PHE A 101 13.767 0.396 -1.594 1.00 0.00 C ATOM 1629 C PHE A 101 15.270 0.389 -1.525 1.00 0.00 C ATOM 1630 O PHE A 101 15.870 -0.025 -0.518 1.00 0.00 O ATOM 1631 CB PHE A 101 13.209 1.806 -1.745 1.00 0.00 C ATOM 1632 CG PHE A 101 11.875 1.858 -2.440 1.00 0.00 C ATOM 1633 CD1 PHE A 101 11.780 1.528 -3.782 1.00 0.00 C ATOM 1634 CD2 PHE A 101 10.736 2.243 -1.776 1.00 0.00 C ATOM 1635 CE1 PHE A 101 10.570 1.578 -4.442 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.518 2.299 -2.435 1.00 0.00 C ATOM 1637 CZ PHE A 101 9.438 1.965 -3.767 1.00 0.00 C ATOM 0 H PHE A 101 13.122 0.266 0.345 1.00 0.00 H new ATOM 0 HA PHE A 101 13.467 -0.137 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 101 13.112 2.256 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.923 2.412 -2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.667 1.227 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.790 2.505 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.513 1.313 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.630 2.605 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.489 2.007 -4.280 1.00 0.00 H new ATOM 1647 N LYS A 102 15.847 0.834 -2.591 1.00 0.00 N ATOM 1648 CA LYS A 102 17.276 0.854 -2.838 1.00 0.00 C ATOM 1649 C LYS A 102 18.068 1.554 -1.736 1.00 0.00 C ATOM 1650 O LYS A 102 19.030 1.011 -1.217 1.00 0.00 O ATOM 1651 CB LYS A 102 17.476 1.552 -4.162 1.00 0.00 C ATOM 1652 CG LYS A 102 16.724 0.859 -5.289 1.00 0.00 C ATOM 1653 CD LYS A 102 16.183 1.851 -6.294 1.00 0.00 C ATOM 1654 CE LYS A 102 17.290 2.618 -6.994 1.00 0.00 C ATOM 1655 NZ LYS A 102 16.765 3.530 -8.022 1.00 0.00 N ATOM 0 H LYS A 102 15.313 1.220 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 102 17.653 -0.169 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.138 2.585 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.539 1.582 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.389 0.157 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.902 0.277 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.583 1.324 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.520 2.553 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.856 3.189 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.984 1.914 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.554 4.034 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.246 2.983 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.123 4.219 -7.580 1.00 0.00 H new ATOM 1669 N THR A 103 17.639 2.733 -1.371 1.00 0.00 N ATOM 1670 CA THR A 103 18.336 3.544 -0.394 1.00 0.00 C ATOM 1671 C THR A 103 17.308 4.141 0.529 1.00 0.00 C ATOM 1672 O THR A 103 16.119 4.124 0.180 1.00 0.00 O ATOM 1673 CB THR A 103 19.043 4.718 -1.111 1.00 0.00 C ATOM 1674 OG1 THR A 103 18.064 5.457 -1.852 1.00 0.00 O ATOM 1675 CG2 THR A 103 20.102 4.232 -2.065 1.00 0.00 C ATOM 0 H THR A 103 16.793 3.165 -1.742 1.00 0.00 H new ATOM 0 HA THR A 103 19.061 2.933 0.144 1.00 0.00 H new ATOM 0 HB THR A 103 19.523 5.340 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.510 5.987 -2.545 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.576 5.086 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.853 3.664 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.645 3.594 -2.821 1.00 0.00 H new ATOM 1683 N PRO A 104 17.712 4.714 1.706 1.00 0.00 N ATOM 1684 CA PRO A 104 16.797 5.457 2.585 1.00 0.00 C ATOM 1685 C PRO A 104 16.188 6.652 1.897 1.00 0.00 C ATOM 1686 O PRO A 104 15.407 7.285 2.413 1.00 0.00 O ATOM 1687 CB PRO A 104 17.675 5.962 3.706 1.00 0.00 C ATOM 1688 CG PRO A 104 18.780 4.980 3.762 1.00 0.00 C ATOM 1689 CD PRO A 104 19.057 4.618 2.322 1.00 0.00 C ATOM 0 HA PRO A 104 15.975 4.818 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.044 6.967 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 104 17.132 6.007 4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.663 5.406 4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.498 4.101 4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.766 5.305 1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.476 3.616 2.228 1.00 0.00 H new ATOM 1697 N GLU A 105 16.650 6.973 0.779 1.00 0.00 N ATOM 1698 CA GLU A 105 16.094 8.035 -0.018 1.00 0.00 C ATOM 1699 C GLU A 105 14.758 7.565 -0.531 1.00 0.00 C ATOM 1700 O GLU A 105 13.726 8.141 -0.244 1.00 0.00 O ATOM 1701 CB GLU A 105 17.028 8.409 -1.157 1.00 0.00 C ATOM 1702 CG GLU A 105 16.507 9.499 -2.068 1.00 0.00 C ATOM 1703 CD GLU A 105 17.438 9.759 -3.208 1.00 0.00 C ATOM 1704 OE1 GLU A 105 17.364 9.045 -4.224 1.00 0.00 O ATOM 1705 OE2 GLU A 105 18.284 10.660 -3.107 1.00 0.00 O ATOM 0 H GLU A 105 17.451 6.510 0.349 1.00 0.00 H new ATOM 0 HA GLU A 105 15.966 8.935 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.981 8.730 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.226 7.519 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.529 9.213 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.368 10.416 -1.496 1.00 0.00 H new ATOM 1712 N LEU A 106 14.801 6.414 -1.178 1.00 0.00 N ATOM 1713 CA LEU A 106 13.643 5.830 -1.789 1.00 0.00 C ATOM 1714 C LEU A 106 12.769 5.281 -0.719 1.00 0.00 C ATOM 1715 O LEU A 106 11.566 5.399 -0.745 1.00 0.00 O ATOM 1716 CB LEU A 106 14.034 4.765 -2.834 1.00 0.00 C ATOM 1717 CG LEU A 106 14.518 5.245 -4.222 1.00 0.00 C ATOM 1718 CD1 LEU A 106 13.487 6.136 -4.888 1.00 0.00 C ATOM 1719 CD2 LEU A 106 15.870 5.929 -4.159 1.00 0.00 C ATOM 0 H LEU A 106 15.652 5.862 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 106 13.090 6.593 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.822 4.148 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.171 4.117 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 106 14.642 4.352 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.858 6.456 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.557 5.582 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.304 7.011 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 106 16.164 6.247 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.807 6.799 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.612 5.233 -3.767 1.00 0.00 H new ATOM 1731 N ALA A 107 13.412 4.755 0.261 1.00 0.00 N ATOM 1732 CA ALA A 107 12.782 4.196 1.398 1.00 0.00 C ATOM 1733 C ALA A 107 12.183 5.305 2.291 1.00 0.00 C ATOM 1734 O ALA A 107 11.025 5.199 2.712 1.00 0.00 O ATOM 1735 CB ALA A 107 13.832 3.395 2.121 1.00 0.00 C ATOM 0 H ALA A 107 14.430 4.701 0.292 1.00 0.00 H new ATOM 0 HA ALA A 107 11.948 3.554 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.395 2.941 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.210 2.613 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.652 4.051 2.414 1.00 0.00 H new ATOM 1741 N GLU A 108 12.941 6.388 2.561 1.00 0.00 N ATOM 1742 CA GLU A 108 12.406 7.437 3.486 1.00 0.00 C ATOM 1743 C GLU A 108 11.278 8.239 2.832 1.00 0.00 C ATOM 1744 O GLU A 108 10.181 8.381 3.411 1.00 0.00 O ATOM 1745 CB GLU A 108 13.541 8.326 4.094 1.00 0.00 C ATOM 1746 CG GLU A 108 13.187 9.149 5.336 1.00 0.00 C ATOM 1747 CD GLU A 108 12.555 10.476 5.072 1.00 0.00 C ATOM 1748 OE1 GLU A 108 13.292 11.469 4.951 1.00 0.00 O ATOM 1749 OE2 GLU A 108 11.329 10.567 5.019 1.00 0.00 O ATOM 0 H GLU A 108 13.872 6.565 2.183 1.00 0.00 H new ATOM 0 HA GLU A 108 11.957 6.928 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.381 7.679 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.886 9.011 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.511 8.562 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.096 9.309 5.915 1.00 0.00 H new ATOM 1756 N GLU A 109 11.517 8.680 1.609 1.00 0.00 N ATOM 1757 CA GLU A 109 10.536 9.466 0.848 1.00 0.00 C ATOM 1758 C GLU A 109 9.227 8.712 0.666 1.00 0.00 C ATOM 1759 O GLU A 109 8.136 9.292 0.797 1.00 0.00 O ATOM 1760 CB GLU A 109 11.083 9.887 -0.518 1.00 0.00 C ATOM 1761 CG GLU A 109 12.173 10.943 -0.463 1.00 0.00 C ATOM 1762 CD GLU A 109 11.684 12.221 0.163 1.00 0.00 C ATOM 1763 OE1 GLU A 109 10.655 12.767 -0.308 1.00 0.00 O ATOM 1764 OE2 GLU A 109 12.291 12.690 1.162 1.00 0.00 O ATOM 0 H GLU A 109 12.390 8.509 1.109 1.00 0.00 H new ATOM 0 HA GLU A 109 10.340 10.363 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.474 9.005 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 109 10.259 10.265 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.020 10.561 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.532 11.147 -1.472 1.00 0.00 H new ATOM 1771 N PHE A 110 9.324 7.436 0.361 1.00 0.00 N ATOM 1772 CA PHE A 110 8.201 6.626 0.193 1.00 0.00 C ATOM 1773 C PHE A 110 7.481 6.306 1.486 1.00 0.00 C ATOM 1774 O PHE A 110 6.293 6.180 1.472 1.00 0.00 O ATOM 1775 CB PHE A 110 8.516 5.428 -0.644 1.00 0.00 C ATOM 1776 CG PHE A 110 8.401 5.700 -2.122 1.00 0.00 C ATOM 1777 CD1 PHE A 110 9.455 6.256 -2.831 1.00 0.00 C ATOM 1778 CD2 PHE A 110 7.227 5.410 -2.800 1.00 0.00 C ATOM 1779 CE1 PHE A 110 9.342 6.517 -4.181 1.00 0.00 C ATOM 1780 CE2 PHE A 110 7.110 5.667 -4.153 1.00 0.00 C ATOM 1781 CZ PHE A 110 8.168 6.221 -4.843 1.00 0.00 C ATOM 0 H PHE A 110 10.212 6.952 0.227 1.00 0.00 H new ATOM 0 HA PHE A 110 7.471 7.210 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 110 9.527 5.090 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 110 7.841 4.615 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 110 10.377 6.488 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.394 4.978 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 110 10.171 6.952 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.191 5.434 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 110 8.078 6.423 -5.900 1.00 0.00 H new ATOM 1791 N LYS A 111 8.205 6.212 2.601 1.00 0.00 N ATOM 1792 CA LYS A 111 7.592 5.931 3.929 1.00 0.00 C ATOM 1793 C LYS A 111 6.542 6.981 4.191 1.00 0.00 C ATOM 1794 O LYS A 111 5.383 6.681 4.527 1.00 0.00 O ATOM 1795 CB LYS A 111 8.683 6.060 5.009 1.00 0.00 C ATOM 1796 CG LYS A 111 8.340 5.528 6.420 1.00 0.00 C ATOM 1797 CD LYS A 111 7.458 6.472 7.239 1.00 0.00 C ATOM 1798 CE LYS A 111 7.164 5.888 8.614 1.00 0.00 C ATOM 1799 NZ LYS A 111 6.436 6.829 9.483 1.00 0.00 N ATOM 0 H LYS A 111 9.219 6.324 2.626 1.00 0.00 H new ATOM 0 HA LYS A 111 7.156 4.932 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.572 5.537 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.948 7.114 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 111 7.835 4.567 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.267 5.347 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 111 7.954 7.436 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 111 6.523 6.653 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.578 4.976 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.101 5.607 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.702 6.316 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 7.100 7.270 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.991 7.566 8.900 1.00 0.00 H new ATOM 1813 N GLN A 112 6.973 8.196 4.016 1.00 0.00 N ATOM 1814 CA GLN A 112 6.124 9.383 4.159 1.00 0.00 C ATOM 1815 C GLN A 112 4.910 9.288 3.261 1.00 0.00 C ATOM 1816 O GLN A 112 3.770 9.458 3.691 1.00 0.00 O ATOM 1817 CB GLN A 112 6.862 10.541 3.611 1.00 0.00 C ATOM 1818 CG GLN A 112 8.183 10.914 4.264 1.00 0.00 C ATOM 1819 CD GLN A 112 8.050 11.417 5.683 1.00 0.00 C ATOM 1820 OE1 GLN A 112 7.019 11.972 6.081 1.00 0.00 O ATOM 1821 NE2 GLN A 112 9.108 11.329 6.414 1.00 0.00 N ATOM 0 H GLN A 112 7.938 8.413 3.765 1.00 0.00 H new ATOM 0 HA GLN A 112 5.851 9.471 5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.053 10.347 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.206 11.410 3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.837 10.042 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.670 11.681 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.941 10.864 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.113 11.725 7.354 1.00 0.00 H new ATOM 1830 N LYS A 113 5.190 9.013 1.997 1.00 0.00 N ATOM 1831 CA LYS A 113 4.203 8.987 0.951 1.00 0.00 C ATOM 1832 C LYS A 113 3.222 7.916 1.233 1.00 0.00 C ATOM 1833 O LYS A 113 2.030 8.095 1.092 1.00 0.00 O ATOM 1834 CB LYS A 113 4.892 8.700 -0.365 1.00 0.00 C ATOM 1835 CG LYS A 113 4.032 8.979 -1.589 1.00 0.00 C ATOM 1836 CD LYS A 113 4.828 8.893 -2.880 1.00 0.00 C ATOM 1837 CE LYS A 113 3.936 9.181 -4.075 1.00 0.00 C ATOM 1838 NZ LYS A 113 4.696 9.287 -5.337 1.00 0.00 N ATOM 0 H LYS A 113 6.133 8.798 1.672 1.00 0.00 H new ATOM 0 HA LYS A 113 3.690 9.947 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.799 9.301 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.200 7.655 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.209 8.265 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 113 3.590 9.971 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.652 9.606 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.268 7.900 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.192 8.389 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.393 10.110 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 4.042 9.484 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.388 10.059 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.194 8.392 -5.518 1.00 0.00 H new ATOM 1852 N PHE A 114 3.744 6.833 1.677 1.00 0.00 N ATOM 1853 CA PHE A 114 2.928 5.650 1.972 1.00 0.00 C ATOM 1854 C PHE A 114 1.940 5.866 3.092 1.00 0.00 C ATOM 1855 O PHE A 114 0.748 5.600 2.914 1.00 0.00 O ATOM 1856 CB PHE A 114 3.725 4.349 2.174 1.00 0.00 C ATOM 1857 CG PHE A 114 4.130 3.669 0.890 1.00 0.00 C ATOM 1858 CD1 PHE A 114 3.170 3.315 -0.045 1.00 0.00 C ATOM 1859 CD2 PHE A 114 5.452 3.378 0.619 1.00 0.00 C ATOM 1860 CE1 PHE A 114 3.524 2.689 -1.222 1.00 0.00 C ATOM 1861 CE2 PHE A 114 5.810 2.751 -0.558 1.00 0.00 C ATOM 1862 CZ PHE A 114 4.846 2.406 -1.479 1.00 0.00 C ATOM 0 H PHE A 114 4.741 6.712 1.855 1.00 0.00 H new ATOM 0 HA PHE A 114 2.356 5.508 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.621 4.571 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 114 3.126 3.657 2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.130 3.532 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 114 6.215 3.644 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.764 2.421 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 114 6.848 2.531 -0.757 1.00 0.00 H new ATOM 0 HZ PHE A 114 5.126 1.915 -2.399 1.00 0.00 H new ATOM 1872 N GLU A 115 2.399 6.363 4.236 1.00 0.00 N ATOM 1873 CA GLU A 115 1.478 6.590 5.339 1.00 0.00 C ATOM 1874 C GLU A 115 0.510 7.727 4.988 1.00 0.00 C ATOM 1875 O GLU A 115 -0.652 7.700 5.387 1.00 0.00 O ATOM 1876 CB GLU A 115 2.217 6.895 6.642 1.00 0.00 C ATOM 1877 CG GLU A 115 3.036 8.171 6.626 1.00 0.00 C ATOM 1878 CD GLU A 115 3.589 8.488 7.968 1.00 0.00 C ATOM 1879 OE1 GLU A 115 2.807 8.865 8.875 1.00 0.00 O ATOM 1880 OE2 GLU A 115 4.789 8.361 8.172 1.00 0.00 O ATOM 0 H GLU A 115 3.372 6.609 4.420 1.00 0.00 H new ATOM 0 HA GLU A 115 0.911 5.673 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.488 6.958 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.877 6.059 6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.852 8.070 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.414 8.998 6.285 1.00 0.00 H new ATOM 1887 N GLU A 116 0.988 8.712 4.211 1.00 0.00 N ATOM 1888 CA GLU A 116 0.169 9.815 3.808 1.00 0.00 C ATOM 1889 C GLU A 116 -0.965 9.311 2.955 1.00 0.00 C ATOM 1890 O GLU A 116 -2.120 9.632 3.198 1.00 0.00 O ATOM 1891 CB GLU A 116 0.947 10.862 3.031 1.00 0.00 C ATOM 1892 CG GLU A 116 0.212 12.187 2.943 1.00 0.00 C ATOM 1893 CD GLU A 116 0.143 12.851 4.305 1.00 0.00 C ATOM 1894 OE1 GLU A 116 1.092 13.561 4.670 1.00 0.00 O ATOM 1895 OE2 GLU A 116 -0.828 12.632 5.058 1.00 0.00 O ATOM 0 H GLU A 116 1.945 8.747 3.859 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.208 10.288 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.915 11.018 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.143 10.492 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.720 12.844 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.796 12.025 2.560 1.00 0.00 H new ATOM 1902 N CYS A 117 -0.624 8.470 1.983 1.00 0.00 N ATOM 1903 CA CYS A 117 -1.528 7.868 1.127 1.00 0.00 C ATOM 1904 C CYS A 117 -2.532 7.041 1.885 1.00 0.00 C ATOM 1905 O CYS A 117 -3.680 6.971 1.487 1.00 0.00 O ATOM 1906 CB CYS A 117 -0.781 7.062 0.140 1.00 0.00 C ATOM 1907 SG CYS A 117 0.144 8.021 -1.081 1.00 0.00 S ATOM 0 H CYS A 117 0.344 8.206 1.798 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.099 8.633 0.600 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.086 6.413 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -1.483 6.414 -0.384 1.00 0.00 H new ATOM 0 HG CYS A 117 1.290 8.373 -0.578 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.100 6.429 2.989 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.004 5.648 3.806 1.00 0.00 C ATOM 1915 C GLN A 118 -4.172 6.504 4.237 1.00 0.00 C ATOM 1916 O GLN A 118 -5.302 6.086 4.118 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.287 5.130 5.059 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.305 4.011 4.820 1.00 0.00 C ATOM 1919 CD GLN A 118 -0.605 3.583 6.096 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -0.387 4.383 7.003 1.00 0.00 O ATOM 1921 NE2 GLN A 118 -0.280 2.326 6.200 1.00 0.00 N ATOM 0 H GLN A 118 -1.139 6.463 3.328 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.355 4.802 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -1.759 5.962 5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.037 4.788 5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.828 3.157 4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.562 4.331 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.473 1.684 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.167 1.984 7.050 1.00 0.00 H new ATOM 1930 N ARG A 119 -3.897 7.690 4.774 1.00 0.00 N ATOM 1931 CA ARG A 119 -4.991 8.596 5.137 1.00 0.00 C ATOM 1932 C ARG A 119 -5.669 9.247 3.943 1.00 0.00 C ATOM 1933 O ARG A 119 -6.887 9.311 3.819 1.00 0.00 O ATOM 1934 CB ARG A 119 -4.586 9.687 6.151 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.134 9.227 7.543 1.00 0.00 C ATOM 1936 CD ARG A 119 -2.665 8.831 7.584 1.00 0.00 C ATOM 1937 NE ARG A 119 -1.781 9.970 7.249 1.00 0.00 N ATOM 1938 CZ ARG A 119 -0.463 10.049 7.511 1.00 0.00 C ATOM 1939 NH1 ARG A 119 0.134 9.110 8.238 1.00 0.00 N ATOM 1940 NH2 ARG A 119 0.241 11.080 7.056 1.00 0.00 N ATOM 0 H ARG A 119 -2.959 8.041 4.964 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.711 7.934 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.778 10.272 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.434 10.360 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.310 10.028 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.743 8.379 7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.416 8.457 8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.488 8.015 6.883 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.209 10.767 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.407 8.325 8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.133 9.175 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.217 11.809 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.240 11.142 7.253 1.00 0.00 H new ATOM 1954 N LEU A 120 -4.855 9.742 3.138 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.222 10.594 2.033 1.00 0.00 C ATOM 1956 C LEU A 120 -5.819 9.967 0.801 1.00 0.00 C ATOM 1957 O LEU A 120 -6.922 10.346 0.433 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.125 11.630 1.691 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.179 12.973 2.432 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -3.989 12.800 3.922 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.146 13.931 1.866 1.00 0.00 C ATOM 0 H LEU A 120 -3.850 9.578 3.202 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.087 11.109 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.155 11.173 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.171 11.832 0.621 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.172 13.396 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.034 13.774 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.777 12.159 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.019 12.342 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.197 14.879 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.151 13.502 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.348 14.101 0.808 1.00 0.00 H new ATOM 1973 N LEU A 121 -5.209 8.893 0.290 1.00 0.00 N ATOM 1974 CA LEU A 121 -5.492 8.338 -1.089 1.00 0.00 C ATOM 1975 C LEU A 121 -6.933 7.901 -1.209 1.00 0.00 C ATOM 1976 O LEU A 121 -7.513 7.799 -2.294 1.00 0.00 O ATOM 1977 CB LEU A 121 -4.523 7.182 -1.423 1.00 0.00 C ATOM 1978 CG LEU A 121 -4.525 6.655 -2.868 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -4.089 7.737 -3.838 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -3.615 5.441 -2.993 1.00 0.00 C ATOM 0 H LEU A 121 -4.501 8.365 0.800 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.327 9.132 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.511 7.511 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.751 6.348 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.543 6.358 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.098 7.341 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.774 8.582 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.081 8.067 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.628 5.081 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.597 5.719 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.967 4.652 -2.328 1.00 0.00 H new ATOM 1992 N LEU A 122 -7.458 7.685 -0.083 1.00 0.00 N ATOM 1993 CA LEU A 122 -8.783 7.251 0.180 1.00 0.00 C ATOM 1994 C LEU A 122 -9.867 8.239 -0.219 1.00 0.00 C ATOM 1995 O LEU A 122 -10.882 7.872 -0.814 1.00 0.00 O ATOM 1996 CB LEU A 122 -8.825 7.359 1.645 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.000 6.369 2.476 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -8.369 6.495 3.944 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -8.200 4.934 2.002 1.00 0.00 C ATOM 0 H LEU A 122 -6.927 7.817 0.778 1.00 0.00 H new ATOM 0 HA LEU A 122 -8.960 6.302 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.503 8.365 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -9.866 7.265 1.955 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.946 6.615 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.780 5.789 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.164 7.510 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -9.429 6.277 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.600 4.261 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -9.252 4.664 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -7.891 4.849 0.960 1.00 0.00 H new