USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 964 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HE2 : A 100 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 87 GLN : amide:sc= 1.19 K(o=2.2,f=1.5) USER MOD Set 1.2: A 89 ASN : amide:sc= 0.989 K(o=2.2,f=1.5) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.181 K(o=1.3,f=-3.7!) USER MOD Set 2.2: A 82 LYS NZ :NH3+ -151:sc= 1.13 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= 1.33 (180deg=1.09) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc=-0.00413 (180deg=-0.11) USER MOD Single : A 12 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.79) USER MOD Single : A 13 GLN : amide:sc= -0.696 X(o=-0.7,f=-0.56) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 0.88 (180deg=0.389) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= -1.8! (180deg=-4.14!) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.13) USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= 1.08 (180deg=-0.615!) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1) USER MOD Single : A 38 GLN : amide:sc= -1.58! C(o=-1.6!,f=-6.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.272!) USER MOD Single : A 46 GLN : amide:sc= -0.0753 K(o=-0.075,f=-0.84) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0747 (180deg=-0.4) USER MOD Single : A 51 TYR OH : rot 105:sc= 0.00341 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= 1.08 (180deg=-0.0656) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.122 K(o=-0.12,f=-4.2!) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.013 (180deg=-0.158) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= -0.0524 (180deg=-0.344) USER MOD Single : A 81 HIS : no HE2:sc= -0.572! C(o=-0.57!,f=-6.8!) USER MOD Single : A 85 SER OG : rot 76:sc= 1.22 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 105 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.59) USER MOD Single : A 113 LYS NZ :NH3+ -170:sc= -0.012 (180deg=-0.128) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc=-0.000978 (180deg=-0.104) USER MOD Single : A 115 ASN : amide:sc= -2.48! K(o=-2.5!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.696 -15.050 -6.154 1.00 0.00 N ATOM 2 CA MET A 1 -15.925 -16.299 -5.392 1.00 0.00 C ATOM 3 C MET A 1 -15.135 -16.229 -4.086 1.00 0.00 C ATOM 4 O MET A 1 -14.749 -15.138 -3.659 1.00 0.00 O ATOM 5 CB MET A 1 -15.491 -17.506 -6.240 1.00 0.00 C ATOM 6 CG MET A 1 -16.141 -18.818 -5.829 1.00 0.00 C ATOM 7 SD MET A 1 -15.592 -20.215 -6.829 1.00 0.00 S ATOM 8 CE MET A 1 -16.582 -21.532 -6.126 1.00 0.00 C ATOM 0 H1 MET A 1 -16.560 -14.798 -6.676 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.453 -14.282 -5.496 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.915 -15.191 -6.826 1.00 0.00 H new ATOM 0 HA MET A 1 -16.983 -16.415 -5.158 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.728 -17.307 -7.285 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.408 -17.613 -6.174 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.916 -19.017 -4.781 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.224 -18.723 -5.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.359 -22.468 -6.638 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.351 -21.634 -5.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.639 -21.296 -6.246 1.00 0.00 H new ATOM 20 N ASP A 2 -14.910 -17.371 -3.442 1.00 0.00 N ATOM 21 CA ASP A 2 -14.121 -17.417 -2.211 1.00 0.00 C ATOM 22 C ASP A 2 -12.646 -17.178 -2.532 1.00 0.00 C ATOM 23 O ASP A 2 -11.859 -18.122 -2.655 1.00 0.00 O ATOM 24 CB ASP A 2 -14.294 -18.769 -1.511 1.00 0.00 C ATOM 25 CG ASP A 2 -13.983 -18.716 -0.027 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.910 -18.209 0.356 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.834 -19.167 0.772 1.00 0.00 O ATOM 0 H ASP A 2 -15.262 -18.277 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.474 -16.634 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.319 -19.114 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.643 -19.503 -1.986 1.00 0.00 H new ATOM 32 N GLU A 3 -12.288 -15.914 -2.710 1.00 0.00 N ATOM 33 CA GLU A 3 -10.943 -15.556 -3.136 1.00 0.00 C ATOM 34 C GLU A 3 -10.522 -14.190 -2.591 1.00 0.00 C ATOM 35 O GLU A 3 -9.328 -13.889 -2.523 1.00 0.00 O ATOM 36 CB GLU A 3 -10.874 -15.570 -4.671 1.00 0.00 C ATOM 37 CG GLU A 3 -11.848 -14.605 -5.334 1.00 0.00 C ATOM 38 CD GLU A 3 -12.085 -14.905 -6.802 1.00 0.00 C ATOM 39 OE1 GLU A 3 -11.138 -14.785 -7.609 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.232 -15.260 -7.158 1.00 0.00 O ATOM 0 H GLU A 3 -12.911 -15.119 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.247 -16.291 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.860 -15.321 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.078 -16.580 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.800 -14.640 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.466 -13.589 -5.235 1.00 0.00 H new ATOM 47 N LEU A 4 -11.509 -13.368 -2.210 1.00 0.00 N ATOM 48 CA LEU A 4 -11.251 -12.016 -1.690 1.00 0.00 C ATOM 49 C LEU A 4 -10.548 -11.170 -2.751 1.00 0.00 C ATOM 50 O LEU A 4 -9.771 -10.265 -2.442 1.00 0.00 O ATOM 51 CB LEU A 4 -10.411 -12.074 -0.409 1.00 0.00 C ATOM 52 CG LEU A 4 -11.051 -12.831 0.759 1.00 0.00 C ATOM 53 CD1 LEU A 4 -10.124 -12.827 1.964 1.00 0.00 C ATOM 54 CD2 LEU A 4 -12.399 -12.222 1.122 1.00 0.00 C ATOM 0 H LEU A 4 -12.498 -13.616 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.207 -11.553 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.454 -12.541 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.198 -11.055 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.215 -13.863 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.593 -13.369 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.183 -13.310 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.931 -11.799 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.836 -12.775 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.262 -11.180 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.066 -12.275 0.261 1.00 0.00 H new ATOM 66 N ARG A 5 -10.883 -11.457 -4.001 1.00 0.00 N ATOM 67 CA ARG A 5 -10.244 -10.849 -5.160 1.00 0.00 C ATOM 68 C ARG A 5 -10.403 -9.334 -5.152 1.00 0.00 C ATOM 69 O ARG A 5 -9.468 -8.601 -5.470 1.00 0.00 O ATOM 70 CB ARG A 5 -10.880 -11.434 -6.419 1.00 0.00 C ATOM 71 CG ARG A 5 -10.097 -11.205 -7.695 1.00 0.00 C ATOM 72 CD ARG A 5 -10.773 -11.910 -8.856 1.00 0.00 C ATOM 73 NE ARG A 5 -9.915 -11.990 -10.028 1.00 0.00 N ATOM 74 CZ ARG A 5 -9.475 -13.136 -10.540 1.00 0.00 C ATOM 75 NH1 ARG A 5 -9.766 -14.290 -9.949 1.00 0.00 N ATOM 76 NH2 ARG A 5 -8.730 -13.129 -11.635 1.00 0.00 N ATOM 0 H ARG A 5 -11.614 -12.126 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.176 -11.065 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.010 -12.507 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.875 -11.005 -6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.025 -10.137 -7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.079 -11.576 -7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.061 -12.916 -8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.690 -11.381 -9.115 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.636 -11.120 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.329 -14.300 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.426 -15.166 -10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.494 -12.245 -12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.392 -14.008 -12.028 1.00 0.00 H new ATOM 90 N GLU A 6 -11.590 -8.878 -4.771 1.00 0.00 N ATOM 91 CA GLU A 6 -11.909 -7.456 -4.756 1.00 0.00 C ATOM 92 C GLU A 6 -10.997 -6.715 -3.776 1.00 0.00 C ATOM 93 O GLU A 6 -10.467 -5.650 -4.087 1.00 0.00 O ATOM 94 CB GLU A 6 -13.383 -7.279 -4.372 1.00 0.00 C ATOM 95 CG GLU A 6 -14.056 -6.054 -4.976 1.00 0.00 C ATOM 96 CD GLU A 6 -13.609 -4.750 -4.348 1.00 0.00 C ATOM 97 OE1 GLU A 6 -14.046 -4.455 -3.220 1.00 0.00 O ATOM 98 OE2 GLU A 6 -12.847 -4.003 -4.996 1.00 0.00 O ATOM 0 H GLU A 6 -12.355 -9.480 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.744 -7.033 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.934 -8.168 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.457 -7.219 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.847 -6.024 -6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.136 -6.150 -4.865 1.00 0.00 H new ATOM 105 N LEU A 7 -10.793 -7.307 -2.605 1.00 0.00 N ATOM 106 CA LEU A 7 -9.978 -6.695 -1.564 1.00 0.00 C ATOM 107 C LEU A 7 -8.499 -6.722 -1.935 1.00 0.00 C ATOM 108 O LEU A 7 -7.788 -5.728 -1.771 1.00 0.00 O ATOM 109 CB LEU A 7 -10.193 -7.425 -0.237 1.00 0.00 C ATOM 110 CG LEU A 7 -11.616 -7.358 0.317 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.761 -8.280 1.517 1.00 0.00 C ATOM 112 CD2 LEU A 7 -11.966 -5.929 0.701 1.00 0.00 C ATOM 0 H LEU A 7 -11.183 -8.215 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.285 -5.654 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.920 -8.472 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.511 -7.008 0.504 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.307 -7.688 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.780 -8.221 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.545 -9.305 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.062 -7.976 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.982 -5.896 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.271 -5.576 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.896 -5.289 -0.178 1.00 0.00 H new ATOM 124 N LEU A 8 -8.049 -7.854 -2.465 1.00 0.00 N ATOM 125 CA LEU A 8 -6.646 -8.036 -2.804 1.00 0.00 C ATOM 126 C LEU A 8 -6.229 -7.112 -3.936 1.00 0.00 C ATOM 127 O LEU A 8 -5.087 -6.656 -3.991 1.00 0.00 O ATOM 128 CB LEU A 8 -6.384 -9.489 -3.197 1.00 0.00 C ATOM 129 CG LEU A 8 -6.599 -10.506 -2.076 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.280 -11.911 -2.559 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.746 -10.143 -0.873 1.00 0.00 C ATOM 0 H LEU A 8 -8.639 -8.661 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.053 -7.787 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.035 -9.747 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.358 -9.575 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.647 -10.483 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.439 -12.620 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.931 -12.165 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.240 -11.957 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.906 -10.873 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.694 -10.143 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.025 -9.152 -0.515 1.00 0.00 H new ATOM 143 N LYS A 9 -7.171 -6.832 -4.823 1.00 0.00 N ATOM 144 CA LYS A 9 -6.924 -5.981 -5.978 1.00 0.00 C ATOM 145 C LYS A 9 -6.485 -4.586 -5.537 1.00 0.00 C ATOM 146 O LYS A 9 -5.648 -3.952 -6.185 1.00 0.00 O ATOM 147 CB LYS A 9 -8.194 -5.893 -6.830 1.00 0.00 C ATOM 148 CG LYS A 9 -7.982 -5.281 -8.203 1.00 0.00 C ATOM 149 CD LYS A 9 -7.066 -6.140 -9.058 1.00 0.00 C ATOM 150 CE LYS A 9 -6.979 -5.613 -10.480 1.00 0.00 C ATOM 151 NZ LYS A 9 -6.464 -4.223 -10.526 1.00 0.00 N ATOM 0 H LYS A 9 -8.126 -7.187 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.121 -6.417 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.607 -6.895 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.938 -5.304 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.944 -5.163 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.554 -4.284 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.070 -6.164 -8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.434 -7.166 -9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.328 -6.261 -11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.966 -5.650 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.276 -3.955 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.171 -3.577 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.583 -4.161 -9.977 1.00 0.00 H new ATOM 165 N ALA A 10 -7.038 -4.125 -4.420 1.00 0.00 N ATOM 166 CA ALA A 10 -6.739 -2.793 -3.907 1.00 0.00 C ATOM 167 C ALA A 10 -5.325 -2.717 -3.332 1.00 0.00 C ATOM 168 O ALA A 10 -4.573 -1.793 -3.641 1.00 0.00 O ATOM 169 CB ALA A 10 -7.765 -2.395 -2.858 1.00 0.00 C ATOM 0 H ALA A 10 -7.698 -4.656 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.792 -2.092 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.533 -1.399 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.759 -2.391 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.740 -3.109 -2.035 1.00 0.00 H new ATOM 175 N GLU A 11 -4.961 -3.703 -2.513 1.00 0.00 N ATOM 176 CA GLU A 11 -3.614 -3.766 -1.940 1.00 0.00 C ATOM 177 C GLU A 11 -2.585 -3.930 -3.059 1.00 0.00 C ATOM 178 O GLU A 11 -1.517 -3.320 -3.036 1.00 0.00 O ATOM 179 CB GLU A 11 -3.521 -4.928 -0.934 1.00 0.00 C ATOM 180 CG GLU A 11 -2.136 -5.145 -0.316 1.00 0.00 C ATOM 181 CD GLU A 11 -1.721 -4.082 0.695 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.528 -2.924 0.334 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.525 -4.400 1.885 1.00 0.00 O ATOM 0 H GLU A 11 -5.576 -4.467 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.403 -2.838 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.236 -4.750 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.826 -5.847 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.119 -6.119 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.396 -5.176 -1.116 1.00 0.00 H new ATOM 190 N GLN A 12 -2.936 -4.734 -4.058 1.00 0.00 N ATOM 191 CA GLN A 12 -2.075 -4.950 -5.212 1.00 0.00 C ATOM 192 C GLN A 12 -1.902 -3.670 -6.029 1.00 0.00 C ATOM 193 O GLN A 12 -0.849 -3.441 -6.624 1.00 0.00 O ATOM 194 CB GLN A 12 -2.654 -6.056 -6.095 1.00 0.00 C ATOM 195 CG GLN A 12 -2.491 -7.454 -5.514 1.00 0.00 C ATOM 196 CD GLN A 12 -1.037 -7.844 -5.325 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.161 -7.395 -6.059 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.771 -8.688 -4.341 1.00 0.00 N ATOM 0 H GLN A 12 -3.816 -5.249 -4.090 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.093 -5.251 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.714 -5.861 -6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.170 -6.020 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.005 -7.506 -4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.974 -8.175 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.526 -9.039 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.189 -8.987 -4.171 1.00 0.00 H new ATOM 207 N GLN A 13 -2.944 -2.846 -6.065 1.00 0.00 N ATOM 208 CA GLN A 13 -2.912 -1.594 -6.817 1.00 0.00 C ATOM 209 C GLN A 13 -1.871 -0.651 -6.229 1.00 0.00 C ATOM 210 O GLN A 13 -1.068 -0.067 -6.961 1.00 0.00 O ATOM 211 CB GLN A 13 -4.292 -0.929 -6.791 1.00 0.00 C ATOM 212 CG GLN A 13 -4.381 0.356 -7.603 1.00 0.00 C ATOM 213 CD GLN A 13 -4.199 0.130 -9.093 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.554 -0.923 -9.629 1.00 0.00 O ATOM 215 NE2 GLN A 13 -3.648 1.120 -9.774 1.00 0.00 N ATOM 0 H GLN A 13 -3.824 -3.022 -5.581 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.643 -1.815 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.031 -1.636 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.559 -0.711 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.350 0.824 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.622 1.055 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.368 1.975 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.503 1.029 -10.779 1.00 0.00 H new ATOM 224 N GLY A 14 -1.885 -0.521 -4.907 1.00 0.00 N ATOM 225 CA GLY A 14 -0.909 0.313 -4.234 1.00 0.00 C ATOM 226 C GLY A 14 0.507 -0.148 -4.501 1.00 0.00 C ATOM 227 O GLY A 14 1.375 0.659 -4.832 1.00 0.00 O ATOM 0 H GLY A 14 -2.556 -0.979 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.023 1.345 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.099 0.300 -3.161 1.00 0.00 H new ATOM 231 N ILE A 15 0.724 -1.458 -4.392 1.00 0.00 N ATOM 232 CA ILE A 15 2.031 -2.054 -4.641 1.00 0.00 C ATOM 233 C ILE A 15 2.511 -1.746 -6.058 1.00 0.00 C ATOM 234 O ILE A 15 3.687 -1.441 -6.273 1.00 0.00 O ATOM 235 CB ILE A 15 1.992 -3.586 -4.439 1.00 0.00 C ATOM 236 CG1 ILE A 15 1.585 -3.921 -3.001 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.341 -4.210 -4.769 1.00 0.00 C ATOM 238 CD1 ILE A 15 1.415 -5.405 -2.747 1.00 0.00 C ATOM 0 H ILE A 15 0.003 -2.130 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 15 2.727 -1.618 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 15 1.249 -4.003 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.339 -3.528 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.649 -3.412 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.289 -5.288 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.595 -3.999 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.106 -3.789 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.127 -5.566 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.640 -5.800 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.356 -5.918 -2.946 1.00 0.00 H new ATOM 250 N LYS A 16 1.601 -1.816 -7.026 1.00 0.00 N ATOM 251 CA LYS A 16 1.954 -1.534 -8.409 1.00 0.00 C ATOM 252 C LYS A 16 2.373 -0.078 -8.568 1.00 0.00 C ATOM 253 O LYS A 16 3.396 0.216 -9.183 1.00 0.00 O ATOM 254 CB LYS A 16 0.796 -1.826 -9.363 1.00 0.00 C ATOM 255 CG LYS A 16 1.206 -1.704 -10.822 1.00 0.00 C ATOM 256 CD LYS A 16 0.026 -1.846 -11.767 1.00 0.00 C ATOM 257 CE LYS A 16 0.459 -1.694 -13.219 1.00 0.00 C ATOM 258 NZ LYS A 16 1.087 -0.369 -13.482 1.00 0.00 N ATOM 0 H LYS A 16 0.623 -2.064 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 16 2.787 -2.190 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.419 -2.832 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.023 -1.136 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.683 -0.737 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.948 -2.468 -11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.441 -2.820 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.726 -1.094 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.165 -2.485 -13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.406 -1.820 -13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.119 -0.197 -14.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.527 0.378 -13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.054 -0.361 -13.100 1.00 0.00 H new ATOM 272 N ILE A 17 1.578 0.826 -8.002 1.00 0.00 N ATOM 273 CA ILE A 17 1.869 2.253 -8.084 1.00 0.00 C ATOM 274 C ILE A 17 3.189 2.572 -7.386 1.00 0.00 C ATOM 275 O ILE A 17 3.940 3.438 -7.830 1.00 0.00 O ATOM 276 CB ILE A 17 0.720 3.104 -7.493 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.559 2.881 -8.307 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.090 4.584 -7.474 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.748 3.673 -7.809 1.00 0.00 C ATOM 0 H ILE A 17 0.730 0.596 -7.483 1.00 0.00 H new ATOM 0 HA ILE A 17 1.960 2.511 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 17 0.548 2.790 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.367 3.147 -9.347 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.809 1.820 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.265 5.160 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.981 4.728 -6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.288 4.923 -8.491 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.614 3.462 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.968 3.391 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.520 4.738 -7.852 1.00 0.00 H new ATOM 291 N LEU A 18 3.483 1.843 -6.312 1.00 0.00 N ATOM 292 CA LEU A 18 4.763 1.971 -5.622 1.00 0.00 C ATOM 293 C LEU A 18 5.918 1.700 -6.586 1.00 0.00 C ATOM 294 O LEU A 18 6.919 2.416 -6.594 1.00 0.00 O ATOM 295 CB LEU A 18 4.828 0.992 -4.443 1.00 0.00 C ATOM 296 CG LEU A 18 3.893 1.309 -3.275 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.003 0.236 -2.204 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.208 2.680 -2.691 1.00 0.00 C ATOM 0 H LEU A 18 2.851 1.157 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 18 4.852 2.990 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.597 -0.008 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.852 0.966 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 18 2.869 1.324 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.332 0.475 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.728 -0.730 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.028 0.192 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.532 2.886 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.237 2.695 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.081 3.441 -3.461 1.00 0.00 H new ATOM 310 N LYS A 19 5.754 0.669 -7.410 1.00 0.00 N ATOM 311 CA LYS A 19 6.755 0.311 -8.408 1.00 0.00 C ATOM 312 C LYS A 19 6.862 1.390 -9.482 1.00 0.00 C ATOM 313 O LYS A 19 7.958 1.699 -9.955 1.00 0.00 O ATOM 314 CB LYS A 19 6.405 -1.031 -9.054 1.00 0.00 C ATOM 315 CG LYS A 19 6.398 -2.199 -8.082 1.00 0.00 C ATOM 316 CD LYS A 19 5.949 -3.496 -8.750 1.00 0.00 C ATOM 317 CE LYS A 19 7.024 -4.102 -9.650 1.00 0.00 C ATOM 318 NZ LYS A 19 7.286 -3.288 -10.870 1.00 0.00 N ATOM 0 H LYS A 19 4.933 0.064 -7.405 1.00 0.00 H new ATOM 0 HA LYS A 19 7.718 0.225 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.423 -0.953 -9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.121 -1.238 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.397 -2.332 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.734 -1.972 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.675 -4.219 -7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.053 -3.304 -9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.949 -4.206 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.718 -5.105 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.422 -3.919 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.476 -2.661 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.143 -2.716 -10.728 1.00 0.00 H new ATOM 332 N GLU A 20 5.718 1.958 -9.861 1.00 0.00 N ATOM 333 CA GLU A 20 5.682 3.031 -10.852 1.00 0.00 C ATOM 334 C GLU A 20 6.444 4.249 -10.327 1.00 0.00 C ATOM 335 O GLU A 20 7.220 4.876 -11.051 1.00 0.00 O ATOM 336 CB GLU A 20 4.237 3.438 -11.171 1.00 0.00 C ATOM 337 CG GLU A 20 3.305 2.283 -11.518 1.00 0.00 C ATOM 338 CD GLU A 20 3.731 1.508 -12.747 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.029 2.135 -13.788 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.757 0.261 -12.686 1.00 0.00 O ATOM 0 H GLU A 20 4.803 1.692 -9.496 1.00 0.00 H new ATOM 0 HA GLU A 20 6.152 2.664 -11.765 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.827 3.971 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.249 4.139 -12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.253 1.601 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.300 2.673 -11.675 1.00 0.00 H new ATOM 347 N VAL A 21 6.217 4.563 -9.053 1.00 0.00 N ATOM 348 CA VAL A 21 6.863 5.702 -8.410 1.00 0.00 C ATOM 349 C VAL A 21 8.379 5.528 -8.377 1.00 0.00 C ATOM 350 O VAL A 21 9.114 6.478 -8.626 1.00 0.00 O ATOM 351 CB VAL A 21 6.333 5.920 -6.973 1.00 0.00 C ATOM 352 CG1 VAL A 21 7.096 7.034 -6.274 1.00 0.00 C ATOM 353 CG2 VAL A 21 4.846 6.239 -6.996 1.00 0.00 C ATOM 0 H VAL A 21 5.587 4.041 -8.444 1.00 0.00 H new ATOM 0 HA VAL A 21 6.620 6.582 -9.005 1.00 0.00 H new ATOM 0 HB VAL A 21 6.487 4.996 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.704 7.167 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.153 6.773 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.979 7.962 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.490 6.389 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.677 7.146 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.303 5.411 -7.451 1.00 0.00 H new ATOM 363 N LEU A 22 8.839 4.310 -8.094 1.00 0.00 N ATOM 364 CA LEU A 22 10.275 4.016 -8.043 1.00 0.00 C ATOM 365 C LEU A 22 10.964 4.411 -9.345 1.00 0.00 C ATOM 366 O LEU A 22 12.063 4.966 -9.341 1.00 0.00 O ATOM 367 CB LEU A 22 10.509 2.526 -7.772 1.00 0.00 C ATOM 368 CG LEU A 22 10.182 2.058 -6.357 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.277 0.543 -6.265 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.128 2.708 -5.361 1.00 0.00 C ATOM 0 H LEU A 22 8.240 3.509 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 22 10.703 4.602 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.909 1.948 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.554 2.296 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 22 9.161 2.355 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.041 0.225 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.570 0.091 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.288 0.226 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.886 2.368 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.155 2.432 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.022 3.792 -5.413 1.00 0.00 H new ATOM 382 N LYS A 23 10.290 4.137 -10.450 1.00 0.00 N ATOM 383 CA LYS A 23 10.825 4.416 -11.771 1.00 0.00 C ATOM 384 C LYS A 23 10.952 5.925 -12.000 1.00 0.00 C ATOM 385 O LYS A 23 11.981 6.406 -12.476 1.00 0.00 O ATOM 386 CB LYS A 23 9.922 3.751 -12.822 1.00 0.00 C ATOM 387 CG LYS A 23 10.366 3.945 -14.262 1.00 0.00 C ATOM 388 CD LYS A 23 9.769 5.206 -14.861 1.00 0.00 C ATOM 389 CE LYS A 23 10.097 5.331 -16.335 1.00 0.00 C ATOM 390 NZ LYS A 23 9.513 6.564 -16.920 1.00 0.00 N ATOM 0 H LYS A 23 9.361 3.717 -10.456 1.00 0.00 H new ATOM 0 HA LYS A 23 11.829 4.001 -11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.872 2.682 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.911 4.144 -12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.454 4.000 -14.305 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.067 3.081 -14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.687 5.196 -14.728 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.148 6.078 -14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.179 5.341 -16.468 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.718 4.459 -16.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.853 6.680 -17.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.476 6.490 -16.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.800 7.387 -16.353 1.00 0.00 H new ATOM 404 N LYS A 24 9.918 6.671 -11.633 1.00 0.00 N ATOM 405 CA LYS A 24 9.913 8.117 -11.836 1.00 0.00 C ATOM 406 C LYS A 24 10.769 8.828 -10.784 1.00 0.00 C ATOM 407 O LYS A 24 11.326 9.899 -11.038 1.00 0.00 O ATOM 408 CB LYS A 24 8.474 8.646 -11.809 1.00 0.00 C ATOM 409 CG LYS A 24 8.360 10.159 -11.949 1.00 0.00 C ATOM 410 CD LYS A 24 8.967 10.669 -13.250 1.00 0.00 C ATOM 411 CE LYS A 24 8.194 10.189 -14.469 1.00 0.00 C ATOM 412 NZ LYS A 24 8.754 10.749 -15.730 1.00 0.00 N ATOM 0 H LYS A 24 9.074 6.302 -11.195 1.00 0.00 H new ATOM 0 HA LYS A 24 10.348 8.327 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.911 8.175 -12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.005 8.343 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.310 10.447 -11.904 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.859 10.638 -11.106 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.985 11.759 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.002 10.334 -13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.220 9.100 -14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.148 10.480 -14.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.609 10.071 -16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.273 11.643 -15.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.772 10.924 -15.610 1.00 0.00 H new ATOM 426 N ALA A 25 10.878 8.226 -9.605 1.00 0.00 N ATOM 427 CA ALA A 25 11.698 8.780 -8.535 1.00 0.00 C ATOM 428 C ALA A 25 13.171 8.739 -8.916 1.00 0.00 C ATOM 429 O ALA A 25 13.944 9.614 -8.534 1.00 0.00 O ATOM 430 CB ALA A 25 11.457 8.033 -7.228 1.00 0.00 C ATOM 0 H ALA A 25 10.408 7.353 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 25 11.411 9.821 -8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.079 8.463 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.407 8.120 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.712 6.981 -7.358 1.00 0.00 H new ATOM 436 N LYS A 26 13.550 7.729 -9.691 1.00 0.00 N ATOM 437 CA LYS A 26 14.916 7.618 -10.176 1.00 0.00 C ATOM 438 C LYS A 26 15.176 8.689 -11.237 1.00 0.00 C ATOM 439 O LYS A 26 16.294 9.190 -11.364 1.00 0.00 O ATOM 440 CB LYS A 26 15.182 6.218 -10.738 1.00 0.00 C ATOM 441 CG LYS A 26 16.624 5.998 -11.172 1.00 0.00 C ATOM 442 CD LYS A 26 17.597 6.182 -10.014 1.00 0.00 C ATOM 443 CE LYS A 26 19.039 6.097 -10.489 1.00 0.00 C ATOM 444 NZ LYS A 26 20.019 6.330 -9.391 1.00 0.00 N ATOM 0 H LYS A 26 12.930 6.978 -9.995 1.00 0.00 H new ATOM 0 HA LYS A 26 15.600 7.776 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.922 5.477 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.525 6.047 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.731 4.993 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.874 6.696 -11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.424 7.148 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.415 5.419 -9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.216 5.115 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.202 6.831 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.984 6.312 -9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.838 7.257 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.919 5.584 -8.673 1.00 0.00 H new ATOM 458 N GLU A 27 14.133 9.037 -11.989 1.00 0.00 N ATOM 459 CA GLU A 27 14.211 10.133 -12.953 1.00 0.00 C ATOM 460 C GLU A 27 14.417 11.454 -12.222 1.00 0.00 C ATOM 461 O GLU A 27 15.217 12.290 -12.639 1.00 0.00 O ATOM 462 CB GLU A 27 12.942 10.207 -13.804 1.00 0.00 C ATOM 463 CG GLU A 27 12.779 9.046 -14.768 1.00 0.00 C ATOM 464 CD GLU A 27 11.505 9.152 -15.572 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.416 10.040 -16.443 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.570 8.369 -15.325 1.00 0.00 O ATOM 0 H GLU A 27 13.224 8.576 -11.949 1.00 0.00 H new ATOM 0 HA GLU A 27 15.058 9.946 -13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.075 10.243 -13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.950 11.138 -14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.633 9.014 -15.445 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.779 8.109 -14.211 1.00 0.00 H new ATOM 473 N GLY A 28 13.683 11.629 -11.130 1.00 0.00 N ATOM 474 CA GLY A 28 13.833 12.814 -10.310 1.00 0.00 C ATOM 475 C GLY A 28 13.019 13.984 -10.822 1.00 0.00 C ATOM 476 O GLY A 28 13.499 15.119 -10.841 1.00 0.00 O ATOM 0 H GLY A 28 12.983 10.966 -10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.530 12.585 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.885 13.096 -10.275 1.00 0.00 H new ATOM 480 N ASP A 29 11.790 13.716 -11.238 1.00 0.00 N ATOM 481 CA ASP A 29 10.907 14.769 -11.728 1.00 0.00 C ATOM 482 C ASP A 29 10.067 15.319 -10.584 1.00 0.00 C ATOM 483 O ASP A 29 9.193 14.627 -10.064 1.00 0.00 O ATOM 484 CB ASP A 29 9.988 14.244 -12.833 1.00 0.00 C ATOM 485 CG ASP A 29 9.189 15.350 -13.505 1.00 0.00 C ATOM 486 OD1 ASP A 29 8.272 15.905 -12.870 1.00 0.00 O ATOM 487 OD2 ASP A 29 9.472 15.656 -14.686 1.00 0.00 O ATOM 0 H ASP A 29 11.381 12.782 -11.247 1.00 0.00 H new ATOM 0 HA ASP A 29 11.526 15.565 -12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.587 13.727 -13.583 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.301 13.510 -12.411 1.00 0.00 H new ATOM 492 N GLU A 30 10.339 16.560 -10.206 1.00 0.00 N ATOM 493 CA GLU A 30 9.663 17.208 -9.085 1.00 0.00 C ATOM 494 C GLU A 30 8.160 17.331 -9.327 1.00 0.00 C ATOM 495 O GLU A 30 7.354 17.128 -8.417 1.00 0.00 O ATOM 496 CB GLU A 30 10.263 18.600 -8.873 1.00 0.00 C ATOM 497 CG GLU A 30 9.591 19.409 -7.780 1.00 0.00 C ATOM 498 CD GLU A 30 9.970 20.869 -7.843 1.00 0.00 C ATOM 499 OE1 GLU A 30 11.010 21.246 -7.269 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.235 21.650 -8.486 1.00 0.00 O ATOM 0 H GLU A 30 11.034 17.148 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 30 9.809 16.592 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.321 18.494 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.203 19.155 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.509 19.311 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.868 19.004 -6.807 1.00 0.00 H new ATOM 507 N GLN A 31 7.790 17.644 -10.559 1.00 0.00 N ATOM 508 CA GLN A 31 6.401 17.924 -10.893 1.00 0.00 C ATOM 509 C GLN A 31 5.551 16.662 -10.800 1.00 0.00 C ATOM 510 O GLN A 31 4.482 16.666 -10.179 1.00 0.00 O ATOM 511 CB GLN A 31 6.311 18.535 -12.292 1.00 0.00 C ATOM 512 CG GLN A 31 4.891 18.743 -12.784 1.00 0.00 C ATOM 513 CD GLN A 31 4.835 19.568 -14.051 1.00 0.00 C ATOM 514 OE1 GLN A 31 5.662 20.454 -14.266 1.00 0.00 O ATOM 515 NE2 GLN A 31 3.869 19.273 -14.901 1.00 0.00 N ATOM 0 H GLN A 31 8.434 17.711 -11.347 1.00 0.00 H new ATOM 0 HA GLN A 31 6.011 18.641 -10.171 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.829 19.494 -12.292 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.837 17.888 -12.994 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.426 17.774 -12.964 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.308 19.237 -12.006 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.205 18.530 -14.681 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.786 19.788 -15.778 1.00 0.00 H new ATOM 524 N GLU A 32 6.032 15.584 -11.401 1.00 0.00 N ATOM 525 CA GLU A 32 5.321 14.316 -11.358 1.00 0.00 C ATOM 526 C GLU A 32 5.391 13.696 -9.967 1.00 0.00 C ATOM 527 O GLU A 32 4.416 13.113 -9.503 1.00 0.00 O ATOM 528 CB GLU A 32 5.855 13.351 -12.417 1.00 0.00 C ATOM 529 CG GLU A 32 5.521 13.779 -13.838 1.00 0.00 C ATOM 530 CD GLU A 32 5.905 12.744 -14.876 1.00 0.00 C ATOM 531 OE1 GLU A 32 5.122 11.795 -15.096 1.00 0.00 O ATOM 532 OE2 GLU A 32 6.987 12.877 -15.480 1.00 0.00 O ATOM 0 H GLU A 32 6.908 15.562 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 32 4.273 14.513 -11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.937 13.270 -12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.442 12.358 -12.236 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.452 13.977 -13.910 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.034 14.715 -14.059 1.00 0.00 H new ATOM 539 N LEU A 33 6.535 13.832 -9.301 1.00 0.00 N ATOM 540 CA LEU A 33 6.708 13.292 -7.951 1.00 0.00 C ATOM 541 C LEU A 33 5.687 13.875 -6.977 1.00 0.00 C ATOM 542 O LEU A 33 5.199 13.176 -6.091 1.00 0.00 O ATOM 543 CB LEU A 33 8.125 13.548 -7.438 1.00 0.00 C ATOM 544 CG LEU A 33 9.088 12.369 -7.591 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.478 12.751 -7.109 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.567 11.155 -6.829 1.00 0.00 C ATOM 0 H LEU A 33 7.356 14.310 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 33 6.544 12.216 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.538 14.407 -7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.071 13.820 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 33 9.153 12.109 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.150 11.901 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.849 13.590 -7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.433 13.037 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.263 10.325 -6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.474 11.402 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.591 10.870 -7.223 1.00 0.00 H new ATOM 558 N ALA A 34 5.358 15.151 -7.149 1.00 0.00 N ATOM 559 CA ALA A 34 4.349 15.794 -6.314 1.00 0.00 C ATOM 560 C ALA A 34 2.996 15.110 -6.493 1.00 0.00 C ATOM 561 O ALA A 34 2.269 14.872 -5.527 1.00 0.00 O ATOM 562 CB ALA A 34 4.251 17.278 -6.642 1.00 0.00 C ATOM 0 H ALA A 34 5.773 15.758 -7.856 1.00 0.00 H new ATOM 0 HA ALA A 34 4.648 15.695 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.494 17.741 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.215 17.755 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.975 17.402 -7.689 1.00 0.00 H new ATOM 568 N ARG A 35 2.669 14.792 -7.737 1.00 0.00 N ATOM 569 CA ARG A 35 1.447 14.083 -8.058 1.00 0.00 C ATOM 570 C ARG A 35 1.538 12.633 -7.601 1.00 0.00 C ATOM 571 O ARG A 35 0.551 12.051 -7.175 1.00 0.00 O ATOM 572 CB ARG A 35 1.190 14.160 -9.559 1.00 0.00 C ATOM 573 CG ARG A 35 -0.247 13.880 -9.934 1.00 0.00 C ATOM 574 CD ARG A 35 -0.564 14.408 -11.324 1.00 0.00 C ATOM 575 NE ARG A 35 -0.323 15.848 -11.412 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.171 16.518 -12.553 1.00 0.00 C ATOM 577 NH1 ARG A 35 -0.308 15.899 -13.722 1.00 0.00 N ATOM 578 NH2 ARG A 35 0.088 17.820 -12.526 1.00 0.00 N ATOM 0 H ARG A 35 3.244 15.019 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 35 0.614 14.550 -7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.465 15.152 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.837 13.446 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.433 12.806 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.913 14.343 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.048 13.889 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.605 14.196 -11.568 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.268 16.375 -10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.531 14.904 -13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.190 16.419 -14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.170 18.305 -11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.205 18.335 -13.399 1.00 0.00 H new ATOM 592 N LEU A 36 2.728 12.053 -7.695 1.00 0.00 N ATOM 593 CA LEU A 36 2.957 10.694 -7.216 1.00 0.00 C ATOM 594 C LEU A 36 2.729 10.604 -5.712 1.00 0.00 C ATOM 595 O LEU A 36 2.164 9.630 -5.225 1.00 0.00 O ATOM 596 CB LEU A 36 4.368 10.223 -7.563 1.00 0.00 C ATOM 597 CG LEU A 36 4.653 10.059 -9.057 1.00 0.00 C ATOM 598 CD1 LEU A 36 6.076 9.585 -9.276 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.666 9.089 -9.692 1.00 0.00 C ATOM 0 H LEU A 36 3.550 12.502 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 36 2.242 10.041 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.083 10.934 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.546 9.268 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 36 4.533 11.031 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.262 9.473 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.771 10.315 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.220 8.625 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.888 8.988 -10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.751 8.115 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.652 9.468 -9.568 1.00 0.00 H new ATOM 611 N ASN A 37 3.168 11.625 -4.981 1.00 0.00 N ATOM 612 CA ASN A 37 2.897 11.709 -3.547 1.00 0.00 C ATOM 613 C ASN A 37 1.392 11.674 -3.307 1.00 0.00 C ATOM 614 O ASN A 37 0.903 10.954 -2.438 1.00 0.00 O ATOM 615 CB ASN A 37 3.487 12.996 -2.959 1.00 0.00 C ATOM 616 CG ASN A 37 3.279 13.117 -1.453 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.097 14.217 -0.925 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.322 11.994 -0.747 1.00 0.00 N ATOM 0 H ASN A 37 3.711 12.403 -5.355 1.00 0.00 H new ATOM 0 HA ASN A 37 3.365 10.857 -3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.555 13.031 -3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.033 13.855 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.203 12.023 0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.474 11.102 -1.217 1.00 0.00 H new ATOM 625 N GLN A 38 0.671 12.453 -4.105 1.00 0.00 N ATOM 626 CA GLN A 38 -0.781 12.481 -4.069 1.00 0.00 C ATOM 627 C GLN A 38 -1.365 11.119 -4.449 1.00 0.00 C ATOM 628 O GLN A 38 -2.277 10.611 -3.793 1.00 0.00 O ATOM 629 CB GLN A 38 -1.286 13.557 -5.030 1.00 0.00 C ATOM 630 CG GLN A 38 -0.990 14.979 -4.579 1.00 0.00 C ATOM 631 CD GLN A 38 -1.729 15.378 -3.312 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.009 14.553 -2.442 1.00 0.00 O ATOM 633 NE2 GLN A 38 -2.055 16.653 -3.200 1.00 0.00 N ATOM 0 H GLN A 38 1.080 13.083 -4.795 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.104 12.712 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.834 13.396 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.363 13.443 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.082 15.084 -4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.258 15.669 -5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.807 17.310 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.554 16.981 -2.373 1.00 0.00 H new ATOM 642 N GLU A 39 -0.809 10.532 -5.506 1.00 0.00 N ATOM 643 CA GLU A 39 -1.275 9.257 -6.043 1.00 0.00 C ATOM 644 C GLU A 39 -1.133 8.139 -5.013 1.00 0.00 C ATOM 645 O GLU A 39 -2.035 7.316 -4.860 1.00 0.00 O ATOM 646 CB GLU A 39 -0.485 8.905 -7.309 1.00 0.00 C ATOM 647 CG GLU A 39 -1.112 7.797 -8.139 1.00 0.00 C ATOM 648 CD GLU A 39 -2.377 8.246 -8.841 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.449 8.262 -8.200 1.00 0.00 O ATOM 650 OE2 GLU A 39 -2.305 8.588 -10.039 1.00 0.00 O ATOM 0 H GLU A 39 -0.020 10.929 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.332 9.358 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.390 9.798 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.524 8.606 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.392 7.450 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.339 6.948 -7.494 1.00 0.00 H new ATOM 657 N ILE A 40 0.000 8.112 -4.312 1.00 0.00 N ATOM 658 CA ILE A 40 0.239 7.101 -3.284 1.00 0.00 C ATOM 659 C ILE A 40 -0.829 7.183 -2.196 1.00 0.00 C ATOM 660 O ILE A 40 -1.386 6.165 -1.786 1.00 0.00 O ATOM 661 CB ILE A 40 1.642 7.245 -2.643 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.737 6.982 -3.685 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.795 6.295 -1.460 1.00 0.00 C ATOM 664 CD1 ILE A 40 4.145 7.114 -3.136 1.00 0.00 C ATOM 0 H ILE A 40 0.764 8.776 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 40 0.190 6.129 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 40 1.747 8.267 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.607 5.979 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.613 7.679 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.787 6.413 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.040 6.525 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.667 5.267 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.865 6.914 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.294 8.125 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.289 6.398 -2.327 1.00 0.00 H new ATOM 676 N VAL A 41 -1.128 8.401 -1.756 1.00 0.00 N ATOM 677 CA VAL A 41 -2.144 8.619 -0.732 1.00 0.00 C ATOM 678 C VAL A 41 -3.492 8.081 -1.202 1.00 0.00 C ATOM 679 O VAL A 41 -4.184 7.378 -0.465 1.00 0.00 O ATOM 680 CB VAL A 41 -2.280 10.118 -0.375 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.359 10.337 0.675 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.948 10.675 0.106 1.00 0.00 C ATOM 0 H VAL A 41 -0.681 9.253 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.828 8.083 0.163 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.576 10.652 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.432 11.400 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.316 9.982 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.103 9.786 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.063 11.731 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.624 10.129 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.202 10.565 -0.681 1.00 0.00 H new ATOM 692 N LYS A 42 -3.851 8.404 -2.439 1.00 0.00 N ATOM 693 CA LYS A 42 -5.104 7.935 -3.022 1.00 0.00 C ATOM 694 C LYS A 42 -5.121 6.412 -3.164 1.00 0.00 C ATOM 695 O LYS A 42 -6.158 5.776 -2.970 1.00 0.00 O ATOM 696 CB LYS A 42 -5.335 8.585 -4.387 1.00 0.00 C ATOM 697 CG LYS A 42 -5.448 10.102 -4.338 1.00 0.00 C ATOM 698 CD LYS A 42 -6.622 10.556 -3.482 1.00 0.00 C ATOM 699 CE LYS A 42 -6.751 12.070 -3.470 1.00 0.00 C ATOM 700 NZ LYS A 42 -7.877 12.525 -2.612 1.00 0.00 N ATOM 0 H LYS A 42 -3.292 8.990 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.908 8.223 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.515 8.313 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.247 8.177 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.524 10.522 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.565 10.490 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.543 10.115 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.492 10.193 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.821 12.511 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.902 12.429 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.930 13.563 -2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.769 12.126 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.721 12.205 -1.635 1.00 0.00 H new ATOM 714 N ALA A 43 -3.971 5.833 -3.495 1.00 0.00 N ATOM 715 CA ALA A 43 -3.873 4.392 -3.720 1.00 0.00 C ATOM 716 C ALA A 43 -4.023 3.618 -2.420 1.00 0.00 C ATOM 717 O ALA A 43 -4.801 2.668 -2.341 1.00 0.00 O ATOM 718 CB ALA A 43 -2.549 4.050 -4.383 1.00 0.00 C ATOM 0 H ALA A 43 -3.093 6.338 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.689 4.101 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.490 2.974 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.478 4.565 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.728 4.366 -3.740 1.00 0.00 H new ATOM 724 N GLU A 44 -3.291 4.043 -1.401 1.00 0.00 N ATOM 725 CA GLU A 44 -3.354 3.392 -0.103 1.00 0.00 C ATOM 726 C GLU A 44 -4.759 3.521 0.477 1.00 0.00 C ATOM 727 O GLU A 44 -5.327 2.550 0.970 1.00 0.00 O ATOM 728 CB GLU A 44 -2.325 3.998 0.850 1.00 0.00 C ATOM 729 CG GLU A 44 -0.878 3.808 0.409 1.00 0.00 C ATOM 730 CD GLU A 44 -0.395 2.379 0.555 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.719 1.540 -0.294 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.330 2.084 1.536 1.00 0.00 O ATOM 0 H GLU A 44 -2.648 4.834 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.122 2.335 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.525 5.065 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.454 3.553 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.779 4.114 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.236 4.464 0.997 1.00 0.00 H new ATOM 739 N LYS A 45 -5.326 4.723 0.383 1.00 0.00 N ATOM 740 CA LYS A 45 -6.682 4.977 0.867 1.00 0.00 C ATOM 741 C LYS A 45 -7.711 4.107 0.153 1.00 0.00 C ATOM 742 O LYS A 45 -8.706 3.695 0.751 1.00 0.00 O ATOM 743 CB LYS A 45 -7.050 6.453 0.702 1.00 0.00 C ATOM 744 CG LYS A 45 -6.571 7.327 1.844 1.00 0.00 C ATOM 745 CD LYS A 45 -7.138 6.828 3.157 1.00 0.00 C ATOM 746 CE LYS A 45 -6.779 7.736 4.318 1.00 0.00 C ATOM 747 NZ LYS A 45 -7.328 7.221 5.597 1.00 0.00 N ATOM 0 H LYS A 45 -4.866 5.537 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.696 4.720 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.625 6.823 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.133 6.542 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.482 7.321 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.878 8.359 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.223 6.754 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.764 5.824 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.695 7.821 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.165 8.738 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.830 7.668 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.342 7.443 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.197 6.190 5.641 1.00 0.00 H new ATOM 761 N GLN A 46 -7.469 3.830 -1.121 1.00 0.00 N ATOM 762 CA GLN A 46 -8.351 2.970 -1.897 1.00 0.00 C ATOM 763 C GLN A 46 -8.402 1.584 -1.263 1.00 0.00 C ATOM 764 O GLN A 46 -9.472 0.986 -1.123 1.00 0.00 O ATOM 765 CB GLN A 46 -7.848 2.875 -3.340 1.00 0.00 C ATOM 766 CG GLN A 46 -8.844 2.250 -4.304 1.00 0.00 C ATOM 767 CD GLN A 46 -10.075 3.113 -4.516 1.00 0.00 C ATOM 768 OE1 GLN A 46 -10.016 4.339 -4.413 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.196 2.482 -4.825 1.00 0.00 N ATOM 0 H GLN A 46 -6.668 4.189 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.355 3.394 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.596 3.875 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.928 2.291 -3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.356 2.078 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.150 1.276 -3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.204 1.465 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.052 3.013 -4.987 1.00 0.00 H new ATOM 778 N GLY A 47 -7.234 1.092 -0.872 1.00 0.00 N ATOM 779 CA GLY A 47 -7.149 -0.188 -0.201 1.00 0.00 C ATOM 780 C GLY A 47 -7.722 -0.151 1.200 1.00 0.00 C ATOM 781 O GLY A 47 -8.492 -1.029 1.585 1.00 0.00 O ATOM 0 H GLY A 47 -6.339 1.561 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.681 -0.937 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.106 -0.501 -0.155 1.00 0.00 H new ATOM 785 N VAL A 48 -7.355 0.870 1.963 1.00 0.00 N ATOM 786 CA VAL A 48 -7.788 0.975 3.352 1.00 0.00 C ATOM 787 C VAL A 48 -9.306 1.020 3.460 1.00 0.00 C ATOM 788 O VAL A 48 -9.886 0.374 4.326 1.00 0.00 O ATOM 789 CB VAL A 48 -7.210 2.221 4.056 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.636 2.251 5.514 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.699 2.254 3.946 1.00 0.00 C ATOM 0 H VAL A 48 -6.760 1.636 1.646 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.408 0.082 3.848 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.606 3.106 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.220 3.136 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.724 2.282 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.270 1.357 6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.317 3.142 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.281 1.363 4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.411 2.281 2.895 1.00 0.00 H new ATOM 801 N LYS A 49 -9.942 1.770 2.570 1.00 0.00 N ATOM 802 CA LYS A 49 -11.390 1.957 2.610 1.00 0.00 C ATOM 803 C LYS A 49 -12.125 0.616 2.558 1.00 0.00 C ATOM 804 O LYS A 49 -13.005 0.352 3.379 1.00 0.00 O ATOM 805 CB LYS A 49 -11.825 2.846 1.442 1.00 0.00 C ATOM 806 CG LYS A 49 -13.243 3.384 1.555 1.00 0.00 C ATOM 807 CD LYS A 49 -13.583 4.278 0.372 1.00 0.00 C ATOM 808 CE LYS A 49 -14.904 5.007 0.568 1.00 0.00 C ATOM 809 NZ LYS A 49 -14.871 5.919 1.741 1.00 0.00 N ATOM 0 H LYS A 49 -9.477 2.262 1.807 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.649 2.441 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.136 3.687 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.738 2.277 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.948 2.554 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.350 3.946 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.785 5.006 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.633 3.675 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.138 5.580 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.704 4.278 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.637 6.617 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.997 5.367 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.956 6.412 1.772 1.00 0.00 H new ATOM 823 N VAL A 50 -11.759 -0.234 1.604 1.00 0.00 N ATOM 824 CA VAL A 50 -12.402 -1.535 1.469 1.00 0.00 C ATOM 825 C VAL A 50 -12.018 -2.477 2.611 1.00 0.00 C ATOM 826 O VAL A 50 -12.838 -3.277 3.061 1.00 0.00 O ATOM 827 CB VAL A 50 -12.104 -2.202 0.107 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.743 -1.408 -1.021 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.609 -2.356 -0.127 1.00 0.00 C ATOM 0 H VAL A 50 -11.027 -0.047 0.919 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.475 -1.347 1.520 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.538 -3.202 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.525 -1.890 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.822 -1.369 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.341 -0.395 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.439 -2.829 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.136 -1.374 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.179 -2.976 0.660 1.00 0.00 H new ATOM 839 N TYR A 51 -10.779 -2.378 3.083 1.00 0.00 N ATOM 840 CA TYR A 51 -10.326 -3.199 4.202 1.00 0.00 C ATOM 841 C TYR A 51 -11.010 -2.779 5.501 1.00 0.00 C ATOM 842 O TYR A 51 -11.321 -3.619 6.342 1.00 0.00 O ATOM 843 CB TYR A 51 -8.802 -3.144 4.353 1.00 0.00 C ATOM 844 CG TYR A 51 -8.062 -4.072 3.414 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.279 -5.443 3.454 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.140 -3.583 2.495 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.606 -6.299 2.607 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.463 -4.434 1.643 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.699 -5.791 1.703 1.00 0.00 C ATOM 850 OH TYR A 51 -6.027 -6.641 0.859 1.00 0.00 O ATOM 0 H TYR A 51 -10.074 -1.742 2.711 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.605 -4.230 3.986 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.466 -2.122 4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.539 -3.396 5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.988 -5.847 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.950 -2.521 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.789 -7.362 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.752 -4.038 0.933 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.399 -6.566 -0.045 1.00 0.00 H new ATOM 860 N LYS A 52 -11.233 -1.478 5.662 1.00 0.00 N ATOM 861 CA LYS A 52 -11.945 -0.953 6.824 1.00 0.00 C ATOM 862 C LYS A 52 -13.324 -1.591 6.948 1.00 0.00 C ATOM 863 O LYS A 52 -13.748 -1.966 8.043 1.00 0.00 O ATOM 864 CB LYS A 52 -12.071 0.572 6.724 1.00 0.00 C ATOM 865 CG LYS A 52 -10.872 1.323 7.282 1.00 0.00 C ATOM 866 CD LYS A 52 -11.052 2.830 7.167 1.00 0.00 C ATOM 867 CE LYS A 52 -9.894 3.580 7.806 1.00 0.00 C ATOM 868 NZ LYS A 52 -10.021 5.055 7.642 1.00 0.00 N ATOM 0 H LYS A 52 -10.929 -0.765 4.999 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.373 -1.201 7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.207 0.849 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.967 0.889 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.727 1.052 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.972 1.022 6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.132 3.109 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.986 3.124 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.847 3.337 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.957 3.246 7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.210 5.525 8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.039 5.291 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.902 5.379 8.089 1.00 0.00 H new ATOM 882 N GLU A 53 -14.012 -1.714 5.821 1.00 0.00 N ATOM 883 CA GLU A 53 -15.310 -2.378 5.781 1.00 0.00 C ATOM 884 C GLU A 53 -15.152 -3.878 6.040 1.00 0.00 C ATOM 885 O GLU A 53 -15.882 -4.468 6.838 1.00 0.00 O ATOM 886 CB GLU A 53 -15.973 -2.153 4.419 1.00 0.00 C ATOM 887 CG GLU A 53 -17.379 -2.726 4.319 1.00 0.00 C ATOM 888 CD GLU A 53 -17.937 -2.673 2.912 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.503 -1.627 2.527 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.829 -3.686 2.190 1.00 0.00 O ATOM 0 H GLU A 53 -13.692 -1.362 4.919 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.941 -1.952 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.012 -1.083 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.352 -2.602 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.370 -3.760 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.040 -2.174 4.988 1.00 0.00 H new ATOM 897 N ALA A 54 -14.174 -4.475 5.368 1.00 0.00 N ATOM 898 CA ALA A 54 -13.963 -5.920 5.406 1.00 0.00 C ATOM 899 C ALA A 54 -13.552 -6.413 6.788 1.00 0.00 C ATOM 900 O ALA A 54 -13.898 -7.525 7.175 1.00 0.00 O ATOM 901 CB ALA A 54 -12.918 -6.321 4.378 1.00 0.00 C ATOM 0 H ALA A 54 -13.506 -3.974 4.783 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.916 -6.391 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.768 -7.400 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.258 -6.035 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.978 -5.816 4.599 1.00 0.00 H new ATOM 907 N ALA A 55 -12.814 -5.592 7.524 1.00 0.00 N ATOM 908 CA ALA A 55 -12.319 -5.976 8.845 1.00 0.00 C ATOM 909 C ALA A 55 -13.456 -6.383 9.778 1.00 0.00 C ATOM 910 O ALA A 55 -13.355 -7.368 10.509 1.00 0.00 O ATOM 911 CB ALA A 55 -11.524 -4.841 9.464 1.00 0.00 C ATOM 0 H ALA A 55 -12.543 -4.654 7.230 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.669 -6.840 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.163 -5.143 10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.675 -4.600 8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.162 -3.963 9.566 1.00 0.00 H new ATOM 917 N GLU A 56 -14.539 -5.626 9.745 1.00 0.00 N ATOM 918 CA GLU A 56 -15.672 -5.895 10.614 1.00 0.00 C ATOM 919 C GLU A 56 -16.764 -6.651 9.868 1.00 0.00 C ATOM 920 O GLU A 56 -17.898 -6.754 10.340 1.00 0.00 O ATOM 921 CB GLU A 56 -16.216 -4.594 11.199 1.00 0.00 C ATOM 922 CG GLU A 56 -16.458 -3.504 10.171 1.00 0.00 C ATOM 923 CD GLU A 56 -16.983 -2.236 10.804 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.162 -1.414 11.265 1.00 0.00 O ATOM 925 OE2 GLU A 56 -18.218 -2.063 10.858 1.00 0.00 O ATOM 0 H GLU A 56 -14.658 -4.823 9.128 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.330 -6.525 11.435 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.152 -4.805 11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.515 -4.224 11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.528 -3.289 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.170 -3.859 9.426 1.00 0.00 H new ATOM 932 N LYS A 57 -16.404 -7.184 8.710 1.00 0.00 N ATOM 933 CA LYS A 57 -17.297 -8.033 7.932 1.00 0.00 C ATOM 934 C LYS A 57 -16.565 -9.335 7.603 1.00 0.00 C ATOM 935 O LYS A 57 -16.972 -10.112 6.738 1.00 0.00 O ATOM 936 CB LYS A 57 -17.746 -7.303 6.653 1.00 0.00 C ATOM 937 CG LYS A 57 -18.874 -8.003 5.903 1.00 0.00 C ATOM 938 CD LYS A 57 -19.375 -7.185 4.717 1.00 0.00 C ATOM 939 CE LYS A 57 -18.281 -6.926 3.693 1.00 0.00 C ATOM 940 NZ LYS A 57 -18.832 -6.361 2.432 1.00 0.00 N ATOM 0 H LYS A 57 -15.488 -7.042 8.283 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.194 -8.264 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.069 -6.296 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.890 -7.199 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.526 -8.974 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.701 -8.190 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.201 -7.711 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.768 -6.233 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.547 -6.237 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.757 -7.857 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.525 -6.944 1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.871 -6.355 2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.486 -5.388 2.307 1.00 0.00 H new ATOM 954 N ALA A 58 -15.475 -9.562 8.326 1.00 0.00 N ATOM 955 CA ALA A 58 -14.636 -10.730 8.115 1.00 0.00 C ATOM 956 C ALA A 58 -15.341 -12.009 8.550 1.00 0.00 C ATOM 957 O ALA A 58 -16.047 -12.033 9.558 1.00 0.00 O ATOM 958 CB ALA A 58 -13.317 -10.572 8.855 1.00 0.00 C ATOM 0 H ALA A 58 -15.151 -8.944 9.070 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.435 -10.809 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.698 -11.454 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.796 -9.688 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.510 -10.460 9.922 1.00 0.00 H new ATOM 964 N ARG A 59 -15.130 -13.070 7.783 1.00 0.00 N ATOM 965 CA ARG A 59 -15.767 -14.354 8.047 1.00 0.00 C ATOM 966 C ARG A 59 -15.037 -15.106 9.157 1.00 0.00 C ATOM 967 O ARG A 59 -15.624 -15.940 9.849 1.00 0.00 O ATOM 968 CB ARG A 59 -15.787 -15.201 6.771 1.00 0.00 C ATOM 969 CG ARG A 59 -16.513 -14.537 5.611 1.00 0.00 C ATOM 970 CD ARG A 59 -16.484 -15.395 4.355 1.00 0.00 C ATOM 971 NE ARG A 59 -15.127 -15.583 3.834 1.00 0.00 N ATOM 972 CZ ARG A 59 -14.793 -16.535 2.957 1.00 0.00 C ATOM 973 NH1 ARG A 59 -15.698 -17.425 2.574 1.00 0.00 N ATOM 974 NH2 ARG A 59 -13.553 -16.617 2.487 1.00 0.00 N ATOM 0 H ARG A 59 -14.518 -13.066 6.967 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.790 -14.167 8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.761 -15.416 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.263 -16.157 6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.548 -14.343 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.054 -13.571 5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.924 -16.368 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.103 -14.931 3.587 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.395 -14.951 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.646 -17.382 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.446 -18.153 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.846 -15.950 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.308 -17.347 1.818 1.00 0.00 H new ATOM 988 N ASN A 60 -13.755 -14.800 9.325 1.00 0.00 N ATOM 989 CA ASN A 60 -12.922 -15.483 10.308 1.00 0.00 C ATOM 990 C ASN A 60 -12.210 -14.472 11.192 1.00 0.00 C ATOM 991 O ASN A 60 -11.670 -13.478 10.698 1.00 0.00 O ATOM 992 CB ASN A 60 -11.879 -16.367 9.620 1.00 0.00 C ATOM 993 CG ASN A 60 -12.490 -17.439 8.741 1.00 0.00 C ATOM 994 OD1 ASN A 60 -12.747 -17.217 7.558 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.716 -18.609 9.310 1.00 0.00 N ATOM 0 H ASN A 60 -13.269 -14.080 8.791 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.573 -16.109 10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.224 -15.740 9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.256 -16.840 10.379 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.119 -19.372 8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.488 -18.750 10.294 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.197 -14.707 12.511 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.521 -13.828 13.466 1.00 0.00 C ATOM 1004 C PRO A 61 -10.031 -13.662 13.160 1.00 0.00 C ATOM 1005 O PRO A 61 -9.483 -12.566 13.298 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.715 -14.523 14.821 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.146 -15.914 14.501 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.853 -15.841 13.179 1.00 0.00 C ATOM 0 HA PRO A 61 -11.933 -12.819 13.434 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.790 -14.522 15.398 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.465 -14.009 15.421 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.288 -16.584 14.447 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.807 -16.304 15.275 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.740 -16.764 12.610 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.923 -15.672 13.303 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.379 -14.742 12.728 1.00 0.00 N ATOM 1017 CA GLU A 62 -7.952 -14.693 12.412 1.00 0.00 C ATOM 1018 C GLU A 62 -7.696 -13.764 11.234 1.00 0.00 C ATOM 1019 O GLU A 62 -6.689 -13.061 11.189 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.397 -16.079 12.078 1.00 0.00 C ATOM 1021 CG GLU A 62 -7.798 -17.164 13.058 1.00 0.00 C ATOM 1022 CD GLU A 62 -8.991 -17.954 12.567 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -10.123 -17.446 12.662 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -8.795 -19.083 12.067 1.00 0.00 O ATOM 0 H GLU A 62 -9.813 -15.655 12.590 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.443 -14.317 13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.735 -16.363 11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.309 -16.023 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.957 -17.838 13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.033 -16.714 14.022 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.619 -13.756 10.283 1.00 0.00 N ATOM 1032 CA LYS A 63 -8.471 -12.932 9.095 1.00 0.00 C ATOM 1033 C LYS A 63 -8.651 -11.459 9.444 1.00 0.00 C ATOM 1034 O LYS A 63 -8.001 -10.596 8.859 1.00 0.00 O ATOM 1035 CB LYS A 63 -9.463 -13.356 8.009 1.00 0.00 C ATOM 1036 CG LYS A 63 -9.347 -14.823 7.620 1.00 0.00 C ATOM 1037 CD LYS A 63 -7.962 -15.167 7.085 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.800 -16.670 6.920 1.00 0.00 C ATOM 1039 NZ LYS A 63 -6.435 -17.048 6.460 1.00 0.00 N ATOM 0 H LYS A 63 -9.475 -14.309 10.312 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.464 -13.074 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.477 -13.160 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.306 -12.740 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.565 -15.446 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.096 -15.057 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.806 -14.673 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.200 -14.788 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.009 -17.161 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.536 -17.035 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.375 -18.082 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.243 -16.602 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.732 -16.724 7.155 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.523 -11.176 10.414 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.697 -9.809 10.892 1.00 0.00 C ATOM 1055 C ARG A 64 -8.412 -9.315 11.541 1.00 0.00 C ATOM 1056 O ARG A 64 -8.030 -8.161 11.376 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.854 -9.695 11.891 1.00 0.00 C ATOM 1058 CG ARG A 64 -10.983 -8.296 12.476 1.00 0.00 C ATOM 1059 CD ARG A 64 -12.132 -8.179 13.461 1.00 0.00 C ATOM 1060 NE ARG A 64 -12.190 -6.839 14.050 1.00 0.00 N ATOM 1061 CZ ARG A 64 -13.307 -6.127 14.188 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -14.470 -6.616 13.774 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -13.255 -4.918 14.736 1.00 0.00 N ATOM 0 H ARG A 64 -10.112 -11.868 10.877 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.937 -9.189 10.028 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.786 -9.965 11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.704 -10.411 12.699 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.052 -8.028 12.976 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.128 -7.580 11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.072 -8.398 12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.015 -8.921 14.250 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.317 -6.424 14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.511 -7.542 13.348 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.322 -6.066 13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.362 -4.538 15.049 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.108 -4.370 14.843 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.754 -10.203 12.280 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.483 -9.897 12.910 1.00 0.00 C ATOM 1079 C GLN A 65 -5.480 -9.415 11.864 1.00 0.00 C ATOM 1080 O GLN A 65 -4.782 -8.423 12.069 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.984 -11.156 13.625 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.792 -10.947 14.534 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.477 -11.377 13.906 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.282 -11.278 12.695 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.568 -11.881 14.726 1.00 0.00 N ATOM 0 H GLN A 65 -8.089 -11.150 12.456 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.602 -9.095 13.639 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.803 -11.569 14.214 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.723 -11.902 12.875 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.730 -9.893 14.805 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.946 -11.505 15.458 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.763 -11.948 15.725 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.672 -12.202 14.359 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.448 -10.111 10.735 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.584 -9.741 9.624 1.00 0.00 C ATOM 1096 C VAL A 66 -5.000 -8.392 9.036 1.00 0.00 C ATOM 1097 O VAL A 66 -4.175 -7.490 8.880 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.619 -10.811 8.512 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -3.758 -10.392 7.331 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.166 -12.161 9.052 1.00 0.00 C ATOM 0 H VAL A 66 -6.016 -10.941 10.565 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.569 -9.666 10.014 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.648 -10.907 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.798 -11.162 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.130 -9.452 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.727 -10.262 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.198 -12.902 8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.147 -12.078 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.829 -12.471 9.860 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.285 -8.261 8.729 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.807 -7.046 8.112 1.00 0.00 C ATOM 1112 C ILE A 67 -6.585 -5.830 9.010 1.00 0.00 C ATOM 1113 O ILE A 67 -6.168 -4.781 8.538 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.311 -7.177 7.777 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.538 -8.336 6.803 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.844 -5.879 7.184 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.998 -8.596 6.488 1.00 0.00 C ATOM 0 H ILE A 67 -6.986 -8.982 8.897 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.257 -6.904 7.182 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.853 -7.382 8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.008 -8.126 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.100 -9.242 7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.904 -5.992 6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.712 -5.070 7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.298 -5.646 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.077 -9.431 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.531 -8.838 7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.437 -7.706 6.038 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.847 -5.984 10.303 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.695 -4.887 11.260 1.00 0.00 C ATOM 1131 C ASP A 68 -5.229 -4.493 11.399 1.00 0.00 C ATOM 1132 O ASP A 68 -4.901 -3.310 11.489 1.00 0.00 O ATOM 1133 CB ASP A 68 -7.248 -5.299 12.626 1.00 0.00 C ATOM 1134 CG ASP A 68 -7.490 -4.114 13.539 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -6.519 -3.595 14.128 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -8.656 -3.706 13.687 1.00 0.00 O ATOM 0 H ASP A 68 -7.167 -6.860 10.717 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.255 -4.029 10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.183 -5.842 12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.549 -5.985 13.105 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.352 -5.493 11.411 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.912 -5.258 11.474 1.00 0.00 C ATOM 1143 C LYS A 69 -2.474 -4.435 10.265 1.00 0.00 C ATOM 1144 O LYS A 69 -1.687 -3.494 10.384 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.171 -6.607 11.532 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.655 -6.506 11.686 1.00 0.00 C ATOM 1147 CD LYS A 69 0.063 -6.495 10.342 1.00 0.00 C ATOM 1148 CE LYS A 69 1.573 -6.400 10.511 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.139 -7.575 11.233 1.00 0.00 N ATOM 0 H LYS A 69 -4.615 -6.478 11.378 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.666 -4.696 12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.568 -7.186 12.366 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.392 -7.165 10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.407 -5.598 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.296 -7.346 12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.185 -7.401 9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.290 -5.652 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.041 -6.320 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.818 -5.489 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.175 -7.569 11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.874 -7.526 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.763 -8.451 10.819 1.00 0.00 H new ATOM 1163 N ILE A 70 -3.010 -4.782 9.105 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.751 -4.037 7.884 1.00 0.00 C ATOM 1165 C ILE A 70 -3.439 -2.670 7.924 1.00 0.00 C ATOM 1166 O ILE A 70 -2.883 -1.681 7.464 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.193 -4.841 6.641 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.300 -6.078 6.500 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.144 -3.985 5.382 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.577 -6.912 5.270 1.00 0.00 C ATOM 0 H ILE A 70 -3.632 -5.581 8.984 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.676 -3.872 7.812 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.228 -5.157 6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.258 -5.758 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.425 -6.704 7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.461 -4.580 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.811 -3.130 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.125 -3.632 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.900 -7.766 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.608 -7.266 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.423 -6.306 4.377 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.642 -2.624 8.483 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.382 -1.373 8.648 1.00 0.00 C ATOM 1184 C LEU A 71 -4.566 -0.336 9.421 1.00 0.00 C ATOM 1185 O LEU A 71 -4.591 0.852 9.102 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.711 -1.640 9.363 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.842 -2.137 8.464 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -9.119 -2.314 9.268 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -8.069 -1.175 7.307 1.00 0.00 C ATOM 0 H LEU A 71 -5.133 -3.447 8.834 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.581 -0.967 7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.542 -2.377 10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.034 -0.721 9.852 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.555 -3.105 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.915 -2.668 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.951 -3.042 10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.408 -1.359 9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.878 -1.547 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.335 -0.193 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.157 -1.096 6.715 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.851 -0.794 10.441 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.947 0.071 11.189 1.00 0.00 C ATOM 1203 C GLU A 72 -1.757 0.485 10.329 1.00 0.00 C ATOM 1204 O GLU A 72 -1.335 1.640 10.345 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.453 -0.640 12.451 1.00 0.00 C ATOM 1206 CG GLU A 72 -3.134 -0.168 13.724 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.806 1.275 14.050 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -1.719 1.528 14.603 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -3.630 2.164 13.743 1.00 0.00 O ATOM 0 H GLU A 72 -3.879 -1.759 10.769 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.497 0.967 11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.614 -1.712 12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.378 -0.487 12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.213 -0.278 13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.828 -0.804 14.554 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.241 -0.468 9.568 1.00 0.00 N ATOM 1217 CA ASP A 73 -0.035 -0.267 8.774 1.00 0.00 C ATOM 1218 C ASP A 73 -0.277 0.639 7.584 1.00 0.00 C ATOM 1219 O ASP A 73 0.496 1.550 7.319 1.00 0.00 O ATOM 1220 CB ASP A 73 0.482 -1.598 8.254 1.00 0.00 C ATOM 1221 CG ASP A 73 1.904 -1.859 8.665 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.217 -1.757 9.865 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.727 -2.145 7.770 1.00 0.00 O ATOM 0 H ASP A 73 -1.644 -1.401 9.482 1.00 0.00 H new ATOM 0 HA ASP A 73 0.696 0.203 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.154 -2.402 8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.412 -1.612 7.166 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.346 0.364 6.859 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.624 1.035 5.599 1.00 0.00 C ATOM 1230 C GLU A 74 -1.789 2.547 5.807 1.00 0.00 C ATOM 1231 O GLU A 74 -1.338 3.343 4.984 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.867 0.404 4.959 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.744 0.148 3.460 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.474 -0.597 3.075 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.468 -1.859 3.028 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.468 0.073 2.796 1.00 0.00 O ATOM 0 H GLU A 74 -2.046 -0.329 7.125 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.781 0.905 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.079 -0.540 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.722 1.057 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.608 -0.426 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.771 1.102 2.933 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.398 2.939 6.928 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.484 4.346 7.307 1.00 0.00 C ATOM 1245 C GLU A 75 -1.107 4.877 7.696 1.00 0.00 C ATOM 1246 O GLU A 75 -0.727 5.995 7.338 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.448 4.524 8.486 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.918 4.307 8.150 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.400 5.210 7.035 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.730 6.222 6.753 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.412 4.878 6.395 1.00 0.00 O ATOM 0 H GLU A 75 -2.839 2.299 7.588 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.857 4.907 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.164 3.829 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.327 5.530 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.071 3.267 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.520 4.483 9.041 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.367 4.056 8.432 1.00 0.00 N ATOM 1259 CA LYS A 76 0.976 4.401 8.878 1.00 0.00 C ATOM 1260 C LYS A 76 1.891 4.668 7.681 1.00 0.00 C ATOM 1261 O LYS A 76 2.771 5.529 7.738 1.00 0.00 O ATOM 1262 CB LYS A 76 1.530 3.262 9.741 1.00 0.00 C ATOM 1263 CG LYS A 76 2.868 3.552 10.398 1.00 0.00 C ATOM 1264 CD LYS A 76 2.788 4.742 11.344 1.00 0.00 C ATOM 1265 CE LYS A 76 3.994 4.788 12.269 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.970 3.677 13.258 1.00 0.00 N ATOM 0 H LYS A 76 -0.681 3.134 8.736 1.00 0.00 H new ATOM 0 HA LYS A 76 0.934 5.313 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.803 3.028 10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.631 2.372 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.201 2.672 10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.615 3.749 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.732 5.666 10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.874 4.680 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.908 4.730 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.014 5.743 12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.585 3.915 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.997 3.535 13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.311 2.804 12.808 1.00 0.00 H new ATOM 1280 N HIS A 77 1.661 3.932 6.595 1.00 0.00 N ATOM 1281 CA HIS A 77 2.415 4.115 5.359 1.00 0.00 C ATOM 1282 C HIS A 77 2.155 5.497 4.776 1.00 0.00 C ATOM 1283 O HIS A 77 3.084 6.215 4.398 1.00 0.00 O ATOM 1284 CB HIS A 77 2.013 3.080 4.308 1.00 0.00 C ATOM 1285 CG HIS A 77 2.284 1.655 4.669 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.789 0.597 3.944 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.004 1.112 5.684 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.206 -0.530 4.524 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.950 -0.284 5.589 1.00 0.00 N ATOM 0 H HIS A 77 0.953 3.199 6.548 1.00 0.00 H new ATOM 0 HA HIS A 77 3.470 3.998 5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.947 3.189 4.106 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.538 3.307 3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.534 1.668 6.443 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.966 -1.521 4.168 1.00 0.00 H new ATOM 1296 N ILE A 78 0.875 5.857 4.703 1.00 0.00 N ATOM 1297 CA ILE A 78 0.461 7.133 4.131 1.00 0.00 C ATOM 1298 C ILE A 78 1.100 8.293 4.880 1.00 0.00 C ATOM 1299 O ILE A 78 1.691 9.190 4.272 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.073 7.300 4.175 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.757 6.126 3.479 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -1.490 8.617 3.532 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.271 6.160 3.566 1.00 0.00 C ATOM 0 H ILE A 78 0.104 5.278 5.035 1.00 0.00 H new ATOM 0 HA ILE A 78 0.791 7.138 3.092 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.386 7.315 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.463 6.117 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.398 5.196 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.575 8.715 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.030 9.446 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.164 8.634 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.685 5.294 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.576 6.138 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.642 7.073 3.100 1.00 0.00 H new ATOM 1315 N GLU A 79 0.989 8.260 6.202 1.00 0.00 N ATOM 1316 CA GLU A 79 1.560 9.309 7.035 1.00 0.00 C ATOM 1317 C GLU A 79 3.083 9.337 6.905 1.00 0.00 C ATOM 1318 O GLU A 79 3.698 10.402 6.954 1.00 0.00 O ATOM 1319 CB GLU A 79 1.157 9.118 8.496 1.00 0.00 C ATOM 1320 CG GLU A 79 1.591 10.268 9.389 1.00 0.00 C ATOM 1321 CD GLU A 79 1.119 10.116 10.816 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -0.095 10.259 11.065 1.00 0.00 O ATOM 1323 OE2 GLU A 79 1.961 9.865 11.702 1.00 0.00 O ATOM 0 H GLU A 79 0.511 7.521 6.718 1.00 0.00 H new ATOM 0 HA GLU A 79 1.167 10.265 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.074 9.007 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.593 8.191 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.679 10.340 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.205 11.203 8.982 1.00 0.00 H new ATOM 1330 N TRP A 80 3.683 8.164 6.729 1.00 0.00 N ATOM 1331 CA TRP A 80 5.127 8.061 6.573 1.00 0.00 C ATOM 1332 C TRP A 80 5.589 8.830 5.338 1.00 0.00 C ATOM 1333 O TRP A 80 6.427 9.730 5.437 1.00 0.00 O ATOM 1334 CB TRP A 80 5.558 6.592 6.472 1.00 0.00 C ATOM 1335 CG TRP A 80 7.035 6.402 6.338 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.668 5.662 5.389 1.00 0.00 C ATOM 1337 CD2 TRP A 80 8.063 6.955 7.171 1.00 0.00 C ATOM 1338 NE1 TRP A 80 9.029 5.717 5.576 1.00 0.00 N ATOM 1339 CE2 TRP A 80 9.294 6.504 6.666 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.058 7.785 8.298 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.512 6.857 7.243 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.265 8.135 8.869 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.476 7.670 8.344 1.00 0.00 C ATOM 0 H TRP A 80 3.190 7.272 6.691 1.00 0.00 H new ATOM 0 HA TRP A 80 5.595 8.500 7.454 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.212 6.060 7.358 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.064 6.137 5.614 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.174 5.111 4.603 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.727 5.249 4.998 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.128 8.145 8.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.448 6.503 6.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.275 8.779 9.736 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.403 7.959 8.818 1.00 0.00 H new ATOM 1354 N HIS A 81 5.029 8.484 4.182 1.00 0.00 N ATOM 1355 CA HIS A 81 5.400 9.136 2.931 1.00 0.00 C ATOM 1356 C HIS A 81 5.128 10.631 2.958 1.00 0.00 C ATOM 1357 O HIS A 81 5.980 11.425 2.555 1.00 0.00 O ATOM 1358 CB HIS A 81 4.667 8.514 1.746 1.00 0.00 C ATOM 1359 CG HIS A 81 5.314 7.271 1.232 1.00 0.00 C ATOM 1360 ND1 HIS A 81 6.379 7.272 0.356 1.00 0.00 N ATOM 1361 CD2 HIS A 81 5.034 5.971 1.482 1.00 0.00 C ATOM 1362 CE1 HIS A 81 6.705 6.000 0.106 1.00 0.00 C ATOM 1363 NE2 HIS A 81 5.921 5.171 0.764 1.00 0.00 N ATOM 0 H HIS A 81 4.319 7.758 4.086 1.00 0.00 H new ATOM 0 HA HIS A 81 6.473 8.984 2.815 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.643 8.286 2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.611 9.245 0.939 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.837 8.097 -0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.250 5.612 2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.506 5.692 -0.550 1.00 0.00 H new ATOM 1371 N LYS A 82 3.948 11.021 3.425 1.00 0.00 N ATOM 1372 CA LYS A 82 3.558 12.425 3.387 1.00 0.00 C ATOM 1373 C LYS A 82 4.491 13.279 4.243 1.00 0.00 C ATOM 1374 O LYS A 82 4.928 14.348 3.817 1.00 0.00 O ATOM 1375 CB LYS A 82 2.109 12.619 3.839 1.00 0.00 C ATOM 1376 CG LYS A 82 1.602 14.031 3.590 1.00 0.00 C ATOM 1377 CD LYS A 82 1.633 14.370 2.106 1.00 0.00 C ATOM 1378 CE LYS A 82 1.528 15.866 1.861 1.00 0.00 C ATOM 1379 NZ LYS A 82 1.524 16.186 0.408 1.00 0.00 N ATOM 0 H LYS A 82 3.252 10.394 3.830 1.00 0.00 H new ATOM 0 HA LYS A 82 3.639 12.751 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.470 11.910 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.030 12.391 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.584 14.127 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.215 14.744 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.558 13.995 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.812 13.861 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.616 16.247 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.364 16.373 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.934 17.130 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.088 15.479 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.547 16.173 0.052 1.00 0.00 H new ATOM 1393 N ALA A 83 4.809 12.794 5.437 1.00 0.00 N ATOM 1394 CA ALA A 83 5.673 13.527 6.357 1.00 0.00 C ATOM 1395 C ALA A 83 7.087 13.665 5.799 1.00 0.00 C ATOM 1396 O ALA A 83 7.740 14.689 5.982 1.00 0.00 O ATOM 1397 CB ALA A 83 5.702 12.838 7.715 1.00 0.00 C ATOM 0 H ALA A 83 4.482 11.896 5.792 1.00 0.00 H new ATOM 0 HA ALA A 83 5.263 14.530 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.350 13.395 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.693 12.802 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.084 11.823 7.600 1.00 0.00 H new ATOM 1403 N ALA A 84 7.552 12.635 5.106 1.00 0.00 N ATOM 1404 CA ALA A 84 8.894 12.646 4.537 1.00 0.00 C ATOM 1405 C ALA A 84 8.965 13.538 3.301 1.00 0.00 C ATOM 1406 O ALA A 84 10.027 14.056 2.952 1.00 0.00 O ATOM 1407 CB ALA A 84 9.329 11.231 4.195 1.00 0.00 C ATOM 0 H ALA A 84 7.022 11.783 4.924 1.00 0.00 H new ATOM 0 HA ALA A 84 9.574 13.056 5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.333 11.251 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.329 10.622 5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.637 10.803 3.470 1.00 0.00 H new ATOM 1413 N SER A 85 7.824 13.736 2.658 1.00 0.00 N ATOM 1414 CA SER A 85 7.757 14.527 1.438 1.00 0.00 C ATOM 1415 C SER A 85 7.489 15.998 1.755 1.00 0.00 C ATOM 1416 O SER A 85 7.003 16.748 0.909 1.00 0.00 O ATOM 1417 CB SER A 85 6.659 13.978 0.525 1.00 0.00 C ATOM 1418 OG SER A 85 6.838 12.589 0.293 1.00 0.00 O ATOM 0 H SER A 85 6.927 13.358 2.963 1.00 0.00 H new ATOM 0 HA SER A 85 8.718 14.459 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.683 14.152 0.979 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.669 14.513 -0.424 1.00 0.00 H new ATOM 0 HG SER A 85 6.561 12.086 1.087 1.00 0.00 H new ATOM 1424 N LYS A 86 7.832 16.412 2.972 1.00 0.00 N ATOM 1425 CA LYS A 86 7.607 17.787 3.402 1.00 0.00 C ATOM 1426 C LYS A 86 8.572 18.748 2.709 1.00 0.00 C ATOM 1427 O LYS A 86 8.352 19.960 2.701 1.00 0.00 O ATOM 1428 CB LYS A 86 7.746 17.905 4.923 1.00 0.00 C ATOM 1429 CG LYS A 86 9.131 17.548 5.448 1.00 0.00 C ATOM 1430 CD LYS A 86 9.184 17.613 6.967 1.00 0.00 C ATOM 1431 CE LYS A 86 8.874 19.010 7.480 1.00 0.00 C ATOM 1432 NZ LYS A 86 8.801 19.049 8.962 1.00 0.00 N ATOM 0 H LYS A 86 8.266 15.815 3.676 1.00 0.00 H new ATOM 0 HA LYS A 86 6.591 18.062 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.508 18.926 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.010 17.255 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.400 16.545 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.868 18.232 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.470 16.904 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.173 17.310 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.642 19.703 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.927 19.350 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.588 20.018 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.051 18.407 9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.713 18.749 9.362 1.00 0.00 H new ATOM 1446 N GLN A 87 9.646 18.207 2.141 1.00 0.00 N ATOM 1447 CA GLN A 87 10.604 19.023 1.403 1.00 0.00 C ATOM 1448 C GLN A 87 10.664 18.604 -0.065 1.00 0.00 C ATOM 1449 O GLN A 87 10.705 19.452 -0.956 1.00 0.00 O ATOM 1450 CB GLN A 87 11.995 18.965 2.051 1.00 0.00 C ATOM 1451 CG GLN A 87 12.528 17.560 2.281 1.00 0.00 C ATOM 1452 CD GLN A 87 13.924 17.561 2.876 1.00 0.00 C ATOM 1453 OE1 GLN A 87 14.303 18.479 3.603 1.00 0.00 O ATOM 1454 NE2 GLN A 87 14.697 16.531 2.572 1.00 0.00 N ATOM 0 H GLN A 87 9.874 17.213 2.177 1.00 0.00 H new ATOM 0 HA GLN A 87 10.262 20.057 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.699 19.507 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.958 19.486 3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.853 17.023 2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.540 17.019 1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.345 15.790 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.645 16.478 2.944 1.00 0.00 H new ATOM 1463 N GLY A 88 10.654 17.299 -0.317 1.00 0.00 N ATOM 1464 CA GLY A 88 10.613 16.815 -1.684 1.00 0.00 C ATOM 1465 C GLY A 88 11.947 16.280 -2.165 1.00 0.00 C ATOM 1466 O GLY A 88 12.813 17.044 -2.595 1.00 0.00 O ATOM 0 H GLY A 88 10.673 16.571 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.863 16.028 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.295 17.625 -2.341 1.00 0.00 H new ATOM 1470 N ASN A 89 12.110 14.965 -2.093 1.00 0.00 N ATOM 1471 CA ASN A 89 13.327 14.309 -2.561 1.00 0.00 C ATOM 1472 C ASN A 89 12.970 13.280 -3.625 1.00 0.00 C ATOM 1473 O ASN A 89 11.799 12.950 -3.799 1.00 0.00 O ATOM 1474 CB ASN A 89 14.065 13.624 -1.406 1.00 0.00 C ATOM 1475 CG ASN A 89 14.461 14.586 -0.301 1.00 0.00 C ATOM 1476 OD1 ASN A 89 13.704 14.806 0.644 1.00 0.00 O ATOM 1477 ND2 ASN A 89 15.649 15.168 -0.410 1.00 0.00 N ATOM 0 H ASN A 89 11.411 14.327 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 89 13.987 15.067 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.430 12.842 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.959 13.136 -1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.963 15.824 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.248 14.959 -1.209 1.00 0.00 H new ATOM 1484 N ALA A 90 13.971 12.771 -4.330 1.00 0.00 N ATOM 1485 CA ALA A 90 13.735 11.806 -5.395 1.00 0.00 C ATOM 1486 C ALA A 90 14.257 10.424 -5.018 1.00 0.00 C ATOM 1487 O ALA A 90 13.482 9.526 -4.680 1.00 0.00 O ATOM 1488 CB ALA A 90 14.379 12.281 -6.688 1.00 0.00 C ATOM 0 H ALA A 90 14.952 13.009 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 90 12.658 11.726 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.195 11.551 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.951 13.241 -6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.453 12.392 -6.540 1.00 0.00 H new ATOM 1494 N GLU A 91 15.575 10.262 -5.049 1.00 0.00 N ATOM 1495 CA GLU A 91 16.192 8.962 -4.802 1.00 0.00 C ATOM 1496 C GLU A 91 16.035 8.551 -3.344 1.00 0.00 C ATOM 1497 O GLU A 91 15.771 7.390 -3.041 1.00 0.00 O ATOM 1498 CB GLU A 91 17.669 8.989 -5.184 1.00 0.00 C ATOM 1499 CG GLU A 91 17.912 9.321 -6.647 1.00 0.00 C ATOM 1500 CD GLU A 91 19.378 9.273 -7.009 1.00 0.00 C ATOM 1501 OE1 GLU A 91 20.149 10.115 -6.496 1.00 0.00 O ATOM 1502 OE2 GLU A 91 19.771 8.383 -7.790 1.00 0.00 O ATOM 0 H GLU A 91 16.237 11.013 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 91 15.682 8.226 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.183 9.723 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.111 8.018 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.362 8.618 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.519 10.315 -6.862 1.00 0.00 H new ATOM 1509 N GLN A 92 16.188 9.512 -2.446 1.00 0.00 N ATOM 1510 CA GLN A 92 16.022 9.254 -1.022 1.00 0.00 C ATOM 1511 C GLN A 92 14.576 8.854 -0.730 1.00 0.00 C ATOM 1512 O GLN A 92 14.308 8.012 0.123 1.00 0.00 O ATOM 1513 CB GLN A 92 16.412 10.496 -0.223 1.00 0.00 C ATOM 1514 CG GLN A 92 17.808 11.007 -0.557 1.00 0.00 C ATOM 1515 CD GLN A 92 18.179 12.269 0.197 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.741 12.491 1.324 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.991 13.109 -0.427 1.00 0.00 N ATOM 0 H GLN A 92 16.426 10.477 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 92 16.673 8.432 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.687 11.287 -0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.360 10.267 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.537 10.229 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.871 11.200 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.333 12.888 -1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.275 13.977 0.028 1.00 0.00 H new ATOM 1526 N PHE A 93 13.660 9.454 -1.475 1.00 0.00 N ATOM 1527 CA PHE A 93 12.241 9.146 -1.377 1.00 0.00 C ATOM 1528 C PHE A 93 11.971 7.731 -1.888 1.00 0.00 C ATOM 1529 O PHE A 93 11.168 6.996 -1.315 1.00 0.00 O ATOM 1530 CB PHE A 93 11.457 10.191 -2.179 1.00 0.00 C ATOM 1531 CG PHE A 93 10.005 9.883 -2.400 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.069 10.101 -1.404 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.579 9.395 -3.624 1.00 0.00 C ATOM 1534 CE1 PHE A 93 7.731 9.834 -1.625 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.246 9.132 -3.850 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.321 9.351 -2.852 1.00 0.00 C ATOM 0 H PHE A 93 13.880 10.170 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 93 11.918 9.182 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.533 11.149 -1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.936 10.312 -3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.387 10.483 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.299 9.219 -4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.008 10.003 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.925 8.754 -4.810 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.276 9.145 -3.030 1.00 0.00 H new ATOM 1546 N ALA A 94 12.670 7.350 -2.954 1.00 0.00 N ATOM 1547 CA ALA A 94 12.542 6.012 -3.525 1.00 0.00 C ATOM 1548 C ALA A 94 13.018 4.946 -2.539 1.00 0.00 C ATOM 1549 O ALA A 94 12.480 3.838 -2.498 1.00 0.00 O ATOM 1550 CB ALA A 94 13.320 5.913 -4.831 1.00 0.00 C ATOM 0 H ALA A 94 13.334 7.952 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 94 11.487 5.834 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.214 4.909 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.930 6.640 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.374 6.118 -4.643 1.00 0.00 H new ATOM 1556 N SER A 95 14.020 5.291 -1.741 1.00 0.00 N ATOM 1557 CA SER A 95 14.552 4.379 -0.736 1.00 0.00 C ATOM 1558 C SER A 95 13.483 4.059 0.312 1.00 0.00 C ATOM 1559 O SER A 95 13.427 2.949 0.842 1.00 0.00 O ATOM 1560 CB SER A 95 15.796 4.989 -0.077 1.00 0.00 C ATOM 1561 OG SER A 95 16.446 4.054 0.770 1.00 0.00 O ATOM 0 H SER A 95 14.483 6.200 -1.770 1.00 0.00 H new ATOM 0 HA SER A 95 14.841 3.447 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.489 5.327 -0.848 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.509 5.868 0.501 1.00 0.00 H new ATOM 0 HG SER A 95 17.235 4.472 1.174 1.00 0.00 H new ATOM 1567 N LEU A 96 12.624 5.031 0.589 1.00 0.00 N ATOM 1568 CA LEU A 96 11.521 4.837 1.522 1.00 0.00 C ATOM 1569 C LEU A 96 10.475 3.898 0.927 1.00 0.00 C ATOM 1570 O LEU A 96 9.864 3.099 1.638 1.00 0.00 O ATOM 1571 CB LEU A 96 10.885 6.181 1.889 1.00 0.00 C ATOM 1572 CG LEU A 96 11.482 6.877 3.119 1.00 0.00 C ATOM 1573 CD1 LEU A 96 12.954 7.196 2.913 1.00 0.00 C ATOM 1574 CD2 LEU A 96 10.705 8.142 3.431 1.00 0.00 C ATOM 0 H LEU A 96 12.670 5.964 0.180 1.00 0.00 H new ATOM 0 HA LEU A 96 11.916 4.382 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.974 6.851 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.820 6.025 2.062 1.00 0.00 H new ATOM 0 HG LEU A 96 11.405 6.194 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.347 7.689 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.505 6.272 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.066 7.856 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.137 8.628 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.754 8.819 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.664 7.889 3.634 1.00 0.00 H new ATOM 1586 N VAL A 97 10.289 3.991 -0.385 1.00 0.00 N ATOM 1587 CA VAL A 97 9.352 3.127 -1.096 1.00 0.00 C ATOM 1588 C VAL A 97 9.821 1.674 -1.033 1.00 0.00 C ATOM 1589 O VAL A 97 9.012 0.751 -0.959 1.00 0.00 O ATOM 1590 CB VAL A 97 9.185 3.553 -2.572 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.114 2.714 -3.254 1.00 0.00 C ATOM 1592 CG2 VAL A 97 8.846 5.033 -2.673 1.00 0.00 C ATOM 0 H VAL A 97 10.777 4.660 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 97 8.384 3.223 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 97 10.133 3.384 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.011 3.029 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.399 1.663 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.163 2.849 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.733 5.310 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.914 5.230 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.648 5.621 -2.227 1.00 0.00 H new ATOM 1602 N GLN A 98 11.137 1.487 -1.055 1.00 0.00 N ATOM 1603 CA GLN A 98 11.730 0.155 -0.993 1.00 0.00 C ATOM 1604 C GLN A 98 11.261 -0.599 0.255 1.00 0.00 C ATOM 1605 O GLN A 98 10.871 -1.765 0.175 1.00 0.00 O ATOM 1606 CB GLN A 98 13.258 0.267 -0.994 1.00 0.00 C ATOM 1607 CG GLN A 98 13.979 -1.059 -0.804 1.00 0.00 C ATOM 1608 CD GLN A 98 15.481 -0.890 -0.723 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.181 -0.945 -1.733 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.985 -0.681 0.481 1.00 0.00 N ATOM 0 H GLN A 98 11.816 2.245 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 98 11.406 -0.406 -1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.578 0.710 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.562 0.950 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.620 -1.538 0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.735 -1.725 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.368 -0.643 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.991 -0.558 0.599 1.00 0.00 H new ATOM 1619 N GLN A 99 11.267 0.082 1.399 1.00 0.00 N ATOM 1620 CA GLN A 99 10.817 -0.527 2.649 1.00 0.00 C ATOM 1621 C GLN A 99 9.319 -0.789 2.598 1.00 0.00 C ATOM 1622 O GLN A 99 8.836 -1.808 3.089 1.00 0.00 O ATOM 1623 CB GLN A 99 11.144 0.365 3.847 1.00 0.00 C ATOM 1624 CG GLN A 99 12.628 0.625 4.036 1.00 0.00 C ATOM 1625 CD GLN A 99 12.938 1.218 5.395 1.00 0.00 C ATOM 1626 OE1 GLN A 99 12.945 2.437 5.574 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.200 0.354 6.362 1.00 0.00 N ATOM 0 H GLN A 99 11.576 1.050 1.487 1.00 0.00 H new ATOM 0 HA GLN A 99 11.346 -1.473 2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.631 1.319 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.749 -0.099 4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.177 -0.309 3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.978 1.303 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.183 -0.648 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.419 0.689 7.300 1.00 0.00 H new ATOM 1636 N HIS A 100 8.600 0.141 1.982 1.00 0.00 N ATOM 1637 CA HIS A 100 7.157 0.026 1.805 1.00 0.00 C ATOM 1638 C HIS A 100 6.832 -1.226 0.993 1.00 0.00 C ATOM 1639 O HIS A 100 5.915 -1.977 1.324 1.00 0.00 O ATOM 1640 CB HIS A 100 6.638 1.276 1.084 1.00 0.00 C ATOM 1641 CG HIS A 100 5.165 1.531 1.211 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.619 2.788 1.140 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.120 0.681 1.379 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.299 2.681 1.263 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.933 1.417 1.411 1.00 0.00 N ATOM 0 H HIS A 100 8.999 0.995 1.592 1.00 0.00 H new ATOM 0 HA HIS A 100 6.673 -0.056 2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.174 2.144 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.884 1.192 0.026 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.138 3.657 1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.194 -0.392 1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.615 3.516 1.245 1.00 0.00 H new ATOM 1653 N LEU A 101 7.611 -1.449 -0.058 1.00 0.00 N ATOM 1654 CA LEU A 101 7.418 -2.597 -0.934 1.00 0.00 C ATOM 1655 C LEU A 101 7.626 -3.904 -0.174 1.00 0.00 C ATOM 1656 O LEU A 101 6.801 -4.813 -0.262 1.00 0.00 O ATOM 1657 CB LEU A 101 8.381 -2.521 -2.121 1.00 0.00 C ATOM 1658 CG LEU A 101 8.213 -3.622 -3.173 1.00 0.00 C ATOM 1659 CD1 LEU A 101 6.833 -3.552 -3.807 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.293 -3.511 -4.238 1.00 0.00 C ATOM 0 H LEU A 101 8.388 -0.845 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 101 6.393 -2.576 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.255 -1.554 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.402 -2.557 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 101 8.314 -4.587 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.734 -4.342 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.072 -3.681 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.702 -2.582 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.158 -4.301 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.222 -2.540 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.274 -3.612 -3.773 1.00 0.00 H new ATOM 1672 N GLN A 102 8.728 -3.990 0.575 1.00 0.00 N ATOM 1673 CA GLN A 102 9.018 -5.168 1.383 1.00 0.00 C ATOM 1674 C GLN A 102 7.889 -5.411 2.375 1.00 0.00 C ATOM 1675 O GLN A 102 7.492 -6.549 2.631 1.00 0.00 O ATOM 1676 CB GLN A 102 10.325 -4.977 2.151 1.00 0.00 C ATOM 1677 CG GLN A 102 11.533 -4.714 1.271 1.00 0.00 C ATOM 1678 CD GLN A 102 12.797 -4.499 2.085 1.00 0.00 C ATOM 1679 OE1 GLN A 102 13.117 -3.376 2.474 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.527 -5.574 2.346 1.00 0.00 N ATOM 0 H GLN A 102 9.432 -3.255 0.636 1.00 0.00 H new ATOM 0 HA GLN A 102 9.112 -6.026 0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.207 -4.144 2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.514 -5.867 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.677 -5.556 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.346 -3.836 0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.228 -6.488 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.387 -5.487 2.887 1.00 0.00 H new ATOM 1689 N ASP A 103 7.379 -4.316 2.915 1.00 0.00 N ATOM 1690 CA ASP A 103 6.317 -4.352 3.904 1.00 0.00 C ATOM 1691 C ASP A 103 5.018 -4.905 3.323 1.00 0.00 C ATOM 1692 O ASP A 103 4.405 -5.801 3.906 1.00 0.00 O ATOM 1693 CB ASP A 103 6.094 -2.944 4.454 1.00 0.00 C ATOM 1694 CG ASP A 103 4.864 -2.839 5.319 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.744 -2.844 4.814 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.958 -2.710 6.538 1.00 0.00 O ATOM 0 H ASP A 103 7.692 -3.375 2.678 1.00 0.00 H new ATOM 0 HA ASP A 103 6.621 -5.022 4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.967 -2.644 5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.008 -2.244 3.623 1.00 0.00 H new ATOM 1701 N GLU A 104 4.602 -4.381 2.171 1.00 0.00 N ATOM 1702 CA GLU A 104 3.344 -4.802 1.550 1.00 0.00 C ATOM 1703 C GLU A 104 3.418 -6.264 1.118 1.00 0.00 C ATOM 1704 O GLU A 104 2.398 -6.947 1.044 1.00 0.00 O ATOM 1705 CB GLU A 104 2.997 -3.924 0.345 1.00 0.00 C ATOM 1706 CG GLU A 104 2.892 -2.439 0.659 1.00 0.00 C ATOM 1707 CD GLU A 104 1.605 -2.023 1.361 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.830 -2.894 1.843 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.359 -0.798 1.449 1.00 0.00 O ATOM 0 H GLU A 104 5.113 -3.668 1.650 1.00 0.00 H new ATOM 0 HA GLU A 104 2.558 -4.690 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.756 -4.068 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.050 -4.262 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.738 -2.153 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.979 -1.878 -0.272 1.00 0.00 H new ATOM 1716 N GLN A 105 4.629 -6.741 0.842 1.00 0.00 N ATOM 1717 CA GLN A 105 4.834 -8.146 0.515 1.00 0.00 C ATOM 1718 C GLN A 105 4.416 -9.026 1.687 1.00 0.00 C ATOM 1719 O GLN A 105 3.786 -10.067 1.499 1.00 0.00 O ATOM 1720 CB GLN A 105 6.295 -8.414 0.150 1.00 0.00 C ATOM 1721 CG GLN A 105 6.727 -7.763 -1.155 1.00 0.00 C ATOM 1722 CD GLN A 105 8.183 -8.023 -1.489 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.744 -9.056 -1.126 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.806 -7.084 -2.185 1.00 0.00 N ATOM 0 H GLN A 105 5.479 -6.177 0.839 1.00 0.00 H new ATOM 0 HA GLN A 105 4.216 -8.388 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.934 -8.052 0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.451 -9.490 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.101 -8.136 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.560 -6.688 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.305 -6.241 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.787 -7.203 -2.439 1.00 0.00 H new ATOM 1733 N ARG A 106 4.756 -8.593 2.897 1.00 0.00 N ATOM 1734 CA ARG A 106 4.347 -9.299 4.105 1.00 0.00 C ATOM 1735 C ARG A 106 2.858 -9.108 4.370 1.00 0.00 C ATOM 1736 O ARG A 106 2.210 -9.982 4.945 1.00 0.00 O ATOM 1737 CB ARG A 106 5.180 -8.882 5.317 1.00 0.00 C ATOM 1738 CG ARG A 106 6.580 -9.467 5.285 1.00 0.00 C ATOM 1739 CD ARG A 106 7.249 -9.434 6.647 1.00 0.00 C ATOM 1740 NE ARG A 106 8.491 -10.209 6.655 1.00 0.00 N ATOM 1741 CZ ARG A 106 9.052 -10.717 7.754 1.00 0.00 C ATOM 1742 NH1 ARG A 106 8.483 -10.535 8.941 1.00 0.00 N ATOM 1743 NH2 ARG A 106 10.180 -11.414 7.666 1.00 0.00 N ATOM 0 H ARG A 106 5.314 -7.756 3.066 1.00 0.00 H new ATOM 0 HA ARG A 106 4.529 -10.361 3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.244 -7.795 5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.676 -9.202 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.533 -10.497 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.187 -8.911 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.462 -8.401 6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.566 -9.831 7.398 1.00 0.00 H new ATOM 0 HE ARG A 106 8.958 -10.371 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.614 -10.005 9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.915 -10.925 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.619 -11.562 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.607 -11.801 8.507 1.00 0.00 H new ATOM 1757 N HIS A 107 2.316 -7.967 3.947 1.00 0.00 N ATOM 1758 CA HIS A 107 0.874 -7.743 4.018 1.00 0.00 C ATOM 1759 C HIS A 107 0.159 -8.848 3.244 1.00 0.00 C ATOM 1760 O HIS A 107 -0.809 -9.434 3.724 1.00 0.00 O ATOM 1761 CB HIS A 107 0.490 -6.368 3.437 1.00 0.00 C ATOM 1762 CG HIS A 107 0.734 -5.210 4.362 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.045 -4.006 4.304 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.607 -5.095 5.392 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.517 -3.225 5.297 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.472 -3.834 5.979 1.00 0.00 N ATOM 0 H HIS A 107 2.848 -7.190 3.555 1.00 0.00 H new ATOM 0 HA HIS A 107 0.571 -7.760 5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.052 -6.207 2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.566 -6.384 3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.300 -5.860 5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.160 -2.228 5.508 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.000 -3.461 6.768 1.00 0.00 H new ATOM 1773 N VAL A 108 0.668 -9.142 2.052 1.00 0.00 N ATOM 1774 CA VAL A 108 0.137 -10.218 1.224 1.00 0.00 C ATOM 1775 C VAL A 108 0.429 -11.591 1.846 1.00 0.00 C ATOM 1776 O VAL A 108 -0.388 -12.510 1.743 1.00 0.00 O ATOM 1777 CB VAL A 108 0.705 -10.170 -0.211 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.022 -11.200 -1.092 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.548 -8.780 -0.805 1.00 0.00 C ATOM 0 H VAL A 108 1.455 -8.645 1.635 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.942 -10.072 1.173 1.00 0.00 H new ATOM 0 HB VAL A 108 1.768 -10.406 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.437 -11.150 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.186 -12.196 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.048 -10.995 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.955 -8.768 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.509 -8.515 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.085 -8.059 -0.190 1.00 0.00 H new ATOM 1789 N GLU A 109 1.598 -11.723 2.482 1.00 0.00 N ATOM 1790 CA GLU A 109 2.027 -12.995 3.076 1.00 0.00 C ATOM 1791 C GLU A 109 1.001 -13.533 4.070 1.00 0.00 C ATOM 1792 O GLU A 109 0.672 -14.720 4.048 1.00 0.00 O ATOM 1793 CB GLU A 109 3.376 -12.846 3.786 1.00 0.00 C ATOM 1794 CG GLU A 109 4.580 -12.844 2.859 1.00 0.00 C ATOM 1795 CD GLU A 109 5.891 -12.906 3.620 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.008 -13.751 4.534 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.816 -12.129 3.299 1.00 0.00 O ATOM 0 H GLU A 109 2.267 -10.962 2.599 1.00 0.00 H new ATOM 0 HA GLU A 109 2.124 -13.703 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.371 -11.917 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.487 -13.660 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.515 -13.695 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.561 -11.944 2.244 1.00 0.00 H new ATOM 1804 N GLU A 110 0.510 -12.660 4.940 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.483 -13.047 5.934 1.00 0.00 C ATOM 1806 C GLU A 110 -1.823 -13.379 5.281 1.00 0.00 C ATOM 1807 O GLU A 110 -2.594 -14.185 5.806 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.664 -11.949 6.987 1.00 0.00 C ATOM 1809 CG GLU A 110 0.239 -12.105 8.205 1.00 0.00 C ATOM 1810 CD GLU A 110 1.714 -11.932 7.897 1.00 0.00 C ATOM 1811 OE1 GLU A 110 2.369 -12.920 7.512 1.00 0.00 O ATOM 1812 OE2 GLU A 110 2.227 -10.807 8.066 1.00 0.00 O ATOM 0 H GLU A 110 0.783 -11.678 4.978 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.114 -13.945 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.470 -10.981 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.703 -11.943 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.054 -11.374 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.081 -13.092 8.639 1.00 0.00 H new ATOM 1819 N ILE A 111 -2.102 -12.752 4.143 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.346 -12.998 3.423 1.00 0.00 C ATOM 1821 C ILE A 111 -3.411 -14.442 2.931 1.00 0.00 C ATOM 1822 O ILE A 111 -4.248 -15.224 3.382 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.512 -12.066 2.204 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.408 -10.591 2.607 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.841 -12.339 1.513 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.524 -10.112 3.512 1.00 0.00 C ATOM 0 H ILE A 111 -1.485 -12.071 3.700 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.151 -12.800 4.131 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.700 -12.275 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.454 -10.430 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.400 -9.980 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.948 -11.676 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.870 -13.375 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.658 -12.161 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.374 -9.059 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.482 -10.237 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.521 -10.695 4.433 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.522 -14.788 2.010 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.516 -16.106 1.413 1.00 0.00 C ATOM 1840 C GLU A 112 -1.269 -16.871 1.840 1.00 0.00 C ATOM 1841 O GLU A 112 -1.096 -17.180 3.018 1.00 0.00 O ATOM 1842 CB GLU A 112 -2.585 -15.988 -0.114 1.00 0.00 C ATOM 1843 CG GLU A 112 -3.977 -15.687 -0.652 1.00 0.00 C ATOM 1844 CD GLU A 112 -4.827 -16.933 -0.798 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -4.765 -17.570 -1.873 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -5.541 -17.298 0.161 1.00 0.00 O ATOM 0 H GLU A 112 -1.793 -14.166 1.662 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.390 -16.658 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.904 -15.201 -0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.230 -16.919 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.477 -14.987 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.890 -15.196 -1.621 1.00 0.00 H new ATOM 1853 N LYS A 113 -0.393 -17.146 0.883 1.00 0.00 N ATOM 1854 CA LYS A 113 0.818 -17.922 1.142 1.00 0.00 C ATOM 1855 C LYS A 113 1.933 -17.517 0.180 1.00 0.00 C ATOM 1856 O LYS A 113 1.958 -17.963 -0.968 1.00 0.00 O ATOM 1857 CB LYS A 113 0.552 -19.435 1.028 1.00 0.00 C ATOM 1858 CG LYS A 113 -0.438 -19.974 2.055 1.00 0.00 C ATOM 1859 CD LYS A 113 -0.563 -21.487 1.988 1.00 0.00 C ATOM 1860 CE LYS A 113 -1.678 -21.996 2.893 1.00 0.00 C ATOM 1861 NZ LYS A 113 -1.497 -21.574 4.311 1.00 0.00 N ATOM 0 H LYS A 113 -0.497 -16.843 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 113 1.132 -17.706 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.176 -19.652 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.497 -19.968 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.118 -19.681 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -1.416 -19.522 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.760 -21.792 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.382 -21.944 2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.636 -21.627 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.715 -23.084 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.178 -22.079 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.529 -21.798 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.657 -20.550 4.391 1.00 0.00 H new ATOM 1875 N LYS A 114 2.828 -16.646 0.661 1.00 0.00 N ATOM 1876 CA LYS A 114 4.005 -16.190 -0.095 1.00 0.00 C ATOM 1877 C LYS A 114 3.669 -15.785 -1.530 1.00 0.00 C ATOM 1878 O LYS A 114 3.803 -16.576 -2.468 1.00 0.00 O ATOM 1879 CB LYS A 114 5.088 -17.269 -0.104 1.00 0.00 C ATOM 1880 CG LYS A 114 5.642 -17.595 1.275 1.00 0.00 C ATOM 1881 CD LYS A 114 6.351 -16.399 1.890 1.00 0.00 C ATOM 1882 CE LYS A 114 6.845 -16.694 3.299 1.00 0.00 C ATOM 1883 NZ LYS A 114 7.839 -17.795 3.326 1.00 0.00 N ATOM 0 H LYS A 114 2.757 -16.234 1.591 1.00 0.00 H new ATOM 0 HA LYS A 114 4.374 -15.300 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.678 -18.178 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.906 -16.944 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.829 -17.913 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.337 -18.432 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.195 -16.115 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.671 -15.547 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.291 -15.794 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.997 -16.957 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.259 -17.860 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.369 -18.693 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.587 -17.605 2.629 1.00 0.00 H new ATOM 1897 N ASN A 115 3.225 -14.554 -1.696 1.00 0.00 N ATOM 1898 CA ASN A 115 2.945 -14.011 -3.018 1.00 0.00 C ATOM 1899 C ASN A 115 3.890 -12.856 -3.306 1.00 0.00 C ATOM 1900 O ASN A 115 3.603 -11.725 -2.857 1.00 0.00 O ATOM 1901 CB ASN A 115 1.491 -13.534 -3.135 1.00 0.00 C ATOM 1902 CG ASN A 115 0.496 -14.653 -3.408 1.00 0.00 C ATOM 1903 OD1 ASN A 115 -0.530 -14.435 -4.054 1.00 0.00 O ATOM 1904 ND2 ASN A 115 0.779 -15.852 -2.923 1.00 0.00 N ATOM 1905 OXT ASN A 115 4.923 -13.082 -3.968 1.00 0.00 O ATOM 0 H ASN A 115 3.049 -13.905 -0.929 1.00 0.00 H new ATOM 0 HA ASN A 115 3.097 -14.805 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 115 1.209 -13.028 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 115 1.424 -12.798 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 115 0.138 -16.630 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.638 -15.998 -2.392 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.314 -2.434 6.377 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.843 0.641 1.973 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.717 -3.102 2.304 1.00 0.00 ZN