USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 966 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 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 63 LYS NZ :NH3+ -167:sc= 2.38 (180deg=1.75) USER MOD Set 1.2: A 115 ASN : amide:sc= -0.0209 K(o=2.4,f=-0.00079) USER MOD Set 2.1: A 89 ASN : amide:sc= -1.02 K(o=-1,f=-0.1) USER MOD Set 2.2: A 92 GLN : amide:sc= 0 K(o=-1,f=-0.51) USER MOD Set 3.1: A 37 ASN : amide:sc= -2.6! C(o=-2.9!,f=-2.7!) USER MOD Set 3.2: A 81 HIS : no HD1:sc= -0.305 X(o=-2.9,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 1.34 (180deg=-0.123) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -1.81! (180deg=-3.45!) USER MOD Single : A 12 GLN : amide:sc= -0.662 K(o=-0.66,f=-2.9!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0.775) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0.763 (180deg=0.742) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.0662 (180deg=-0.366) USER MOD Single : A 31 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.0065) USER MOD Single : A 38 GLN : amide:sc= -1.86! C(o=-1.9!,f=-7.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.99) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0547 (180deg=-0.312) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= -0.0309 (180deg=-0.252) USER MOD Single : A 60 ASN : amide:sc= -3.71! C(o=-3.7!,f=-12!) USER MOD Single : A 65 GLN : amide:sc= -1.56! C(o=-1.6!,f=-5.4!) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.124) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 2.55 (180deg=2.36) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.815 K(o=0.82,f=-6.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.81) USER MOD Single : A 100 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-7.3!) USER MOD Single : A 102 GLN : amide:sc= 0.839 K(o=0.84,f=-5.1!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.15) USER MOD Single : A 114 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.744) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.622 12.152 14.379 1.00 0.00 N ATOM 2 CA MET A 1 -15.328 11.187 13.293 1.00 0.00 C ATOM 3 C MET A 1 -13.862 10.787 13.336 1.00 0.00 C ATOM 4 O MET A 1 -13.025 11.531 13.846 1.00 0.00 O ATOM 5 CB MET A 1 -15.635 11.791 11.916 1.00 0.00 C ATOM 6 CG MET A 1 -17.055 12.306 11.746 1.00 0.00 C ATOM 7 SD MET A 1 -17.341 13.866 12.605 1.00 0.00 S ATOM 8 CE MET A 1 -19.003 14.248 12.061 1.00 0.00 C ATOM 0 H1 MET A 1 -16.204 11.689 15.107 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.731 12.478 14.804 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.138 12.966 13.989 1.00 0.00 H new ATOM 0 HA MET A 1 -15.961 10.313 13.445 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.942 12.612 11.733 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.444 11.036 11.153 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.264 12.438 10.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.755 11.558 12.118 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.325 15.189 12.508 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.019 14.338 10.975 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.679 13.450 12.368 1.00 0.00 H new ATOM 20 N ASP A 2 -13.557 9.609 12.813 1.00 0.00 N ATOM 21 CA ASP A 2 -12.172 9.200 12.630 1.00 0.00 C ATOM 22 C ASP A 2 -11.920 8.945 11.154 1.00 0.00 C ATOM 23 O ASP A 2 -12.548 8.077 10.547 1.00 0.00 O ATOM 24 CB ASP A 2 -11.833 7.948 13.443 1.00 0.00 C ATOM 25 CG ASP A 2 -10.336 7.674 13.466 1.00 0.00 C ATOM 26 OD1 ASP A 2 -9.753 7.400 12.395 1.00 0.00 O ATOM 27 OD2 ASP A 2 -9.732 7.746 14.561 1.00 0.00 O ATOM 0 H ASP A 2 -14.246 8.922 12.509 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.529 10.003 12.989 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.196 8.069 14.464 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.353 7.089 13.020 1.00 0.00 H new ATOM 32 N GLU A 3 -11.010 9.711 10.583 1.00 0.00 N ATOM 33 CA GLU A 3 -10.747 9.652 9.155 1.00 0.00 C ATOM 34 C GLU A 3 -9.310 9.209 8.881 1.00 0.00 C ATOM 35 O GLU A 3 -8.796 9.383 7.778 1.00 0.00 O ATOM 36 CB GLU A 3 -11.022 11.031 8.538 1.00 0.00 C ATOM 37 CG GLU A 3 -10.254 12.160 9.212 1.00 0.00 C ATOM 38 CD GLU A 3 -10.751 13.540 8.816 1.00 0.00 C ATOM 39 OE1 GLU A 3 -10.387 14.020 7.723 1.00 0.00 O ATOM 40 OE2 GLU A 3 -11.504 14.151 9.606 1.00 0.00 O ATOM 0 H GLU A 3 -10.436 10.386 11.089 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.407 8.914 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.762 11.006 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.090 11.241 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.332 12.049 10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.197 12.074 8.958 1.00 0.00 H new ATOM 47 N LEU A 4 -8.672 8.601 9.878 1.00 0.00 N ATOM 48 CA LEU A 4 -7.260 8.252 9.757 1.00 0.00 C ATOM 49 C LEU A 4 -6.985 6.800 10.132 1.00 0.00 C ATOM 50 O LEU A 4 -6.136 6.157 9.515 1.00 0.00 O ATOM 51 CB LEU A 4 -6.406 9.176 10.628 1.00 0.00 C ATOM 52 CG LEU A 4 -6.407 10.650 10.217 1.00 0.00 C ATOM 53 CD1 LEU A 4 -5.615 11.478 11.216 1.00 0.00 C ATOM 54 CD2 LEU A 4 -5.840 10.815 8.814 1.00 0.00 C ATOM 0 H LEU A 4 -9.103 8.343 10.766 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.993 8.380 8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.756 9.103 11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.378 8.813 10.614 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.437 11.007 10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.625 12.524 10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.065 11.385 12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.586 11.120 11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.849 11.870 8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.816 10.442 8.789 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.448 10.251 8.107 1.00 0.00 H new ATOM 66 N ARG A 5 -7.689 6.275 11.131 1.00 0.00 N ATOM 67 CA ARG A 5 -7.375 4.951 11.653 1.00 0.00 C ATOM 68 C ARG A 5 -7.562 3.865 10.599 1.00 0.00 C ATOM 69 O ARG A 5 -6.710 2.991 10.452 1.00 0.00 O ATOM 70 CB ARG A 5 -8.204 4.625 12.894 1.00 0.00 C ATOM 71 CG ARG A 5 -7.846 3.280 13.489 1.00 0.00 C ATOM 72 CD ARG A 5 -8.490 3.058 14.844 1.00 0.00 C ATOM 73 NE ARG A 5 -8.071 1.785 15.420 1.00 0.00 N ATOM 74 CZ ARG A 5 -7.286 1.669 16.489 1.00 0.00 C ATOM 75 NH1 ARG A 5 -6.846 2.751 17.119 1.00 0.00 N ATOM 76 NH2 ARG A 5 -6.926 0.469 16.921 1.00 0.00 N ATOM 0 H ARG A 5 -8.472 6.741 11.590 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.323 4.971 11.936 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.053 5.402 13.643 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.262 4.634 12.634 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.159 2.489 12.807 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.763 3.206 13.588 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.220 3.872 15.517 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.575 3.075 14.742 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.401 0.928 14.975 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.109 3.678 16.785 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.245 2.656 17.937 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.250 -0.367 16.434 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.325 0.381 17.740 1.00 0.00 H new ATOM 90 N GLU A 6 -8.661 3.915 9.857 1.00 0.00 N ATOM 91 CA GLU A 6 -8.898 2.929 8.807 1.00 0.00 C ATOM 92 C GLU A 6 -7.840 3.027 7.717 1.00 0.00 C ATOM 93 O GLU A 6 -7.418 2.014 7.157 1.00 0.00 O ATOM 94 CB GLU A 6 -10.296 3.083 8.209 1.00 0.00 C ATOM 95 CG GLU A 6 -11.376 2.405 9.031 1.00 0.00 C ATOM 96 CD GLU A 6 -11.063 0.945 9.288 1.00 0.00 C ATOM 97 OE1 GLU A 6 -11.339 0.097 8.408 1.00 0.00 O ATOM 98 OE2 GLU A 6 -10.513 0.633 10.363 1.00 0.00 O ATOM 0 H GLU A 6 -9.394 4.617 9.959 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.831 1.941 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.530 4.144 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.301 2.668 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.487 2.925 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.331 2.485 8.511 1.00 0.00 H new ATOM 105 N LEU A 7 -7.409 4.250 7.443 1.00 0.00 N ATOM 106 CA LEU A 7 -6.374 4.509 6.461 1.00 0.00 C ATOM 107 C LEU A 7 -5.041 3.929 6.932 1.00 0.00 C ATOM 108 O LEU A 7 -4.377 3.192 6.203 1.00 0.00 O ATOM 109 CB LEU A 7 -6.257 6.022 6.234 1.00 0.00 C ATOM 110 CG LEU A 7 -7.285 6.635 5.270 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.699 6.527 5.823 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.938 8.087 4.987 1.00 0.00 C ATOM 0 H LEU A 7 -7.769 5.089 7.897 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.638 4.028 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.347 6.523 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.258 6.237 5.855 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.248 6.072 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.401 6.970 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.951 5.477 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.759 7.056 6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.674 8.510 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.943 8.651 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.948 8.143 4.535 1.00 0.00 H new ATOM 124 N LEU A 8 -4.683 4.237 8.173 1.00 0.00 N ATOM 125 CA LEU A 8 -3.438 3.762 8.762 1.00 0.00 C ATOM 126 C LEU A 8 -3.440 2.242 8.877 1.00 0.00 C ATOM 127 O LEU A 8 -2.460 1.581 8.539 1.00 0.00 O ATOM 128 CB LEU A 8 -3.247 4.382 10.147 1.00 0.00 C ATOM 129 CG LEU A 8 -1.891 4.110 10.805 1.00 0.00 C ATOM 130 CD1 LEU A 8 -0.761 4.702 9.974 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.867 4.666 12.221 1.00 0.00 C ATOM 0 H LEU A 8 -5.244 4.819 8.795 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.615 4.061 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.383 5.460 10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.033 4.010 10.805 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.744 3.031 10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.193 4.497 10.459 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.766 4.254 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.900 5.780 9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.897 4.464 12.675 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.038 5.742 12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.650 4.190 12.812 1.00 0.00 H new ATOM 143 N LYS A 9 -4.557 1.703 9.348 1.00 0.00 N ATOM 144 CA LYS A 9 -4.716 0.259 9.522 1.00 0.00 C ATOM 145 C LYS A 9 -4.497 -0.476 8.200 1.00 0.00 C ATOM 146 O LYS A 9 -3.940 -1.576 8.177 1.00 0.00 O ATOM 147 CB LYS A 9 -6.109 -0.051 10.102 1.00 0.00 C ATOM 148 CG LYS A 9 -6.327 -1.509 10.499 1.00 0.00 C ATOM 149 CD LYS A 9 -6.836 -2.366 9.339 1.00 0.00 C ATOM 150 CE LYS A 9 -8.342 -2.223 9.118 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.736 -0.839 8.744 1.00 0.00 N ATOM 0 H LYS A 9 -5.376 2.248 9.620 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.961 -0.094 10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.271 0.577 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.864 0.227 9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.390 -1.925 10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.042 -1.555 11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.310 -2.085 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.599 -3.412 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.657 -2.911 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.868 -2.513 10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.669 -0.856 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.781 -0.248 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.034 -0.444 8.087 1.00 0.00 H new ATOM 165 N ALA A 10 -4.925 0.138 7.101 1.00 0.00 N ATOM 166 CA ALA A 10 -4.737 -0.446 5.777 1.00 0.00 C ATOM 167 C ALA A 10 -3.254 -0.514 5.431 1.00 0.00 C ATOM 168 O ALA A 10 -2.760 -1.538 4.954 1.00 0.00 O ATOM 169 CB ALA A 10 -5.496 0.353 4.729 1.00 0.00 C ATOM 0 H ALA A 10 -5.404 1.039 7.101 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.134 -1.461 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.344 -0.097 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.559 0.350 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.129 1.379 4.718 1.00 0.00 H new ATOM 175 N GLU A 11 -2.551 0.578 5.700 1.00 0.00 N ATOM 176 CA GLU A 11 -1.114 0.651 5.469 1.00 0.00 C ATOM 177 C GLU A 11 -0.377 -0.373 6.327 1.00 0.00 C ATOM 178 O GLU A 11 0.522 -1.069 5.851 1.00 0.00 O ATOM 179 CB GLU A 11 -0.607 2.061 5.781 1.00 0.00 C ATOM 180 CG GLU A 11 -1.281 3.145 4.952 1.00 0.00 C ATOM 181 CD GLU A 11 -0.811 3.165 3.513 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.965 2.180 2.796 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.252 4.173 3.068 1.00 0.00 O ATOM 0 H GLU A 11 -2.957 1.432 6.082 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.919 0.424 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.768 2.271 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.469 2.098 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.360 2.994 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.086 4.117 5.406 1.00 0.00 H new ATOM 190 N GLN A 12 -0.782 -0.467 7.591 1.00 0.00 N ATOM 191 CA GLN A 12 -0.201 -1.431 8.523 1.00 0.00 C ATOM 192 C GLN A 12 -0.384 -2.851 8.002 1.00 0.00 C ATOM 193 O GLN A 12 0.525 -3.681 8.085 1.00 0.00 O ATOM 194 CB GLN A 12 -0.861 -1.310 9.900 1.00 0.00 C ATOM 195 CG GLN A 12 -0.696 0.055 10.550 1.00 0.00 C ATOM 196 CD GLN A 12 -1.494 0.188 11.835 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.541 -0.440 11.999 1.00 0.00 O ATOM 198 NE2 GLN A 12 -1.010 1.010 12.749 1.00 0.00 N ATOM 0 H GLN A 12 -1.515 0.116 7.996 1.00 0.00 H new ATOM 0 HA GLN A 12 0.863 -1.214 8.614 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.925 -1.527 9.802 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.440 -2.068 10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.359 0.228 10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.011 0.828 9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.139 1.512 12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.507 1.143 13.630 1.00 0.00 H new ATOM 207 N GLN A 13 -1.565 -3.116 7.451 1.00 0.00 N ATOM 208 CA GLN A 13 -1.891 -4.434 6.927 1.00 0.00 C ATOM 209 C GLN A 13 -0.992 -4.770 5.747 1.00 0.00 C ATOM 210 O GLN A 13 -0.454 -5.874 5.655 1.00 0.00 O ATOM 211 CB GLN A 13 -3.361 -4.481 6.497 1.00 0.00 C ATOM 212 CG GLN A 13 -3.830 -5.858 6.057 1.00 0.00 C ATOM 213 CD GLN A 13 -5.270 -5.857 5.584 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.197 -6.052 6.372 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.467 -5.633 4.293 1.00 0.00 N ATOM 0 H GLN A 13 -2.314 -2.430 7.357 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.728 -5.172 7.713 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.983 -4.144 7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.513 -3.778 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.187 -6.218 5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.724 -6.557 6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.671 -5.476 3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.415 -5.617 3.917 1.00 0.00 H new ATOM 224 N GLY A 14 -0.815 -3.796 4.871 1.00 0.00 N ATOM 225 CA GLY A 14 0.015 -3.988 3.696 1.00 0.00 C ATOM 226 C GLY A 14 1.466 -4.220 4.051 1.00 0.00 C ATOM 227 O GLY A 14 2.084 -5.150 3.544 1.00 0.00 O ATOM 0 H GLY A 14 -1.233 -2.869 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.358 -4.839 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.064 -3.113 3.051 1.00 0.00 H new ATOM 231 N ILE A 15 2.000 -3.389 4.941 1.00 0.00 N ATOM 232 CA ILE A 15 3.389 -3.514 5.374 1.00 0.00 C ATOM 233 C ILE A 15 3.642 -4.889 5.989 1.00 0.00 C ATOM 234 O ILE A 15 4.667 -5.522 5.725 1.00 0.00 O ATOM 235 CB ILE A 15 3.760 -2.414 6.395 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.688 -1.037 5.734 1.00 0.00 C ATOM 237 CG2 ILE A 15 5.147 -2.652 6.981 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.964 0.117 6.680 1.00 0.00 C ATOM 0 H ILE A 15 1.491 -2.620 5.378 1.00 0.00 H new ATOM 0 HA ILE A 15 4.017 -3.395 4.491 1.00 0.00 H new ATOM 0 HB ILE A 15 3.041 -2.452 7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.405 -1.001 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.698 -0.906 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.380 -1.863 7.696 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.167 -3.617 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.886 -2.646 6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.894 1.059 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.231 0.109 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.965 0.013 7.098 1.00 0.00 H new ATOM 250 N LYS A 16 2.699 -5.343 6.803 1.00 0.00 N ATOM 251 CA LYS A 16 2.788 -6.656 7.427 1.00 0.00 C ATOM 252 C LYS A 16 2.805 -7.743 6.364 1.00 0.00 C ATOM 253 O LYS A 16 3.623 -8.664 6.404 1.00 0.00 O ATOM 254 CB LYS A 16 1.603 -6.859 8.369 1.00 0.00 C ATOM 255 CG LYS A 16 1.708 -8.098 9.241 1.00 0.00 C ATOM 256 CD LYS A 16 0.793 -8.003 10.452 1.00 0.00 C ATOM 257 CE LYS A 16 -0.670 -7.862 10.059 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.528 -7.566 11.236 1.00 0.00 N ATOM 0 H LYS A 16 1.859 -4.818 7.048 1.00 0.00 H new ATOM 0 HA LYS A 16 3.714 -6.716 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.509 -5.983 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.689 -6.920 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.449 -8.980 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.739 -8.226 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.917 -8.893 11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.087 -7.149 11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.774 -7.065 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.010 -8.782 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.518 -7.477 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.448 -8.339 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.220 -6.675 11.675 1.00 0.00 H new ATOM 272 N ILE A 17 1.892 -7.615 5.414 1.00 0.00 N ATOM 273 CA ILE A 17 1.817 -8.531 4.279 1.00 0.00 C ATOM 274 C ILE A 17 3.122 -8.518 3.483 1.00 0.00 C ATOM 275 O ILE A 17 3.625 -9.567 3.090 1.00 0.00 O ATOM 276 CB ILE A 17 0.630 -8.172 3.349 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.698 -8.468 4.056 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.715 -8.939 2.034 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.919 -8.073 3.252 1.00 0.00 C ATOM 0 H ILE A 17 1.185 -6.880 5.404 1.00 0.00 H new ATOM 0 HA ILE A 17 1.656 -9.533 4.676 1.00 0.00 H new ATOM 0 HB ILE A 17 0.681 -7.107 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.751 -9.534 4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.716 -7.941 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.129 -8.669 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.646 -8.687 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.690 -10.010 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.820 -8.313 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.891 -7.002 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.926 -8.619 2.309 1.00 0.00 H new ATOM 291 N LEU A 18 3.674 -7.329 3.268 1.00 0.00 N ATOM 292 CA LEU A 18 4.913 -7.184 2.513 1.00 0.00 C ATOM 293 C LEU A 18 6.061 -7.936 3.181 1.00 0.00 C ATOM 294 O LEU A 18 6.841 -8.611 2.512 1.00 0.00 O ATOM 295 CB LEU A 18 5.264 -5.703 2.347 1.00 0.00 C ATOM 296 CG LEU A 18 4.273 -4.894 1.505 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.663 -3.428 1.483 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.197 -5.444 0.090 1.00 0.00 C ATOM 0 H LEU A 18 3.282 -6.450 3.607 1.00 0.00 H new ATOM 0 HA LEU A 18 4.760 -7.621 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.334 -5.249 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.251 -5.628 1.891 1.00 0.00 H new ATOM 0 HG LEU A 18 3.287 -4.982 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.947 -2.870 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.664 -3.036 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.659 -3.323 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.488 -4.855 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.181 -5.389 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.868 -6.483 0.121 1.00 0.00 H new ATOM 310 N LYS A 19 6.157 -7.828 4.502 1.00 0.00 N ATOM 311 CA LYS A 19 7.160 -8.554 5.257 1.00 0.00 C ATOM 312 C LYS A 19 6.954 -10.061 5.122 1.00 0.00 C ATOM 313 O LYS A 19 7.917 -10.818 4.993 1.00 0.00 O ATOM 314 CB LYS A 19 7.098 -8.145 6.723 1.00 0.00 C ATOM 315 CG LYS A 19 7.561 -6.720 6.985 1.00 0.00 C ATOM 316 CD LYS A 19 7.697 -6.445 8.476 1.00 0.00 C ATOM 317 CE LYS A 19 8.778 -7.316 9.102 1.00 0.00 C ATOM 318 NZ LYS A 19 8.872 -7.126 10.573 1.00 0.00 N ATOM 0 H LYS A 19 5.547 -7.240 5.070 1.00 0.00 H new ATOM 0 HA LYS A 19 8.143 -8.307 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.073 -8.255 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.713 -8.830 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.519 -6.551 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.850 -6.019 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.937 -5.394 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.744 -6.632 8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.568 -8.364 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.740 -7.082 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.620 -7.739 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.098 -6.132 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.963 -7.374 11.014 1.00 0.00 H new ATOM 332 N GLU A 20 5.696 -10.485 5.149 1.00 0.00 N ATOM 333 CA GLU A 20 5.342 -11.882 4.978 1.00 0.00 C ATOM 334 C GLU A 20 5.774 -12.382 3.598 1.00 0.00 C ATOM 335 O GLU A 20 6.394 -13.439 3.469 1.00 0.00 O ATOM 336 CB GLU A 20 3.833 -12.024 5.146 1.00 0.00 C ATOM 337 CG GLU A 20 3.412 -13.031 6.198 1.00 0.00 C ATOM 338 CD GLU A 20 3.721 -14.459 5.806 1.00 0.00 C ATOM 339 OE1 GLU A 20 3.172 -14.934 4.794 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.513 -15.118 6.512 1.00 0.00 O ATOM 0 H GLU A 20 4.896 -9.868 5.290 1.00 0.00 H new ATOM 0 HA GLU A 20 5.856 -12.485 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.415 -11.051 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.399 -12.313 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.916 -12.800 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.342 -12.933 6.379 1.00 0.00 H new ATOM 347 N VAL A 21 5.455 -11.601 2.571 1.00 0.00 N ATOM 348 CA VAL A 21 5.821 -11.938 1.201 1.00 0.00 C ATOM 349 C VAL A 21 7.338 -11.947 1.026 1.00 0.00 C ATOM 350 O VAL A 21 7.880 -12.814 0.351 1.00 0.00 O ATOM 351 CB VAL A 21 5.190 -10.952 0.191 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.613 -11.288 -1.229 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.672 -10.960 0.309 1.00 0.00 C ATOM 0 H VAL A 21 4.941 -10.725 2.663 1.00 0.00 H new ATOM 0 HA VAL A 21 5.434 -12.937 1.002 1.00 0.00 H new ATOM 0 HB VAL A 21 5.550 -9.951 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.157 -10.581 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.698 -11.226 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.288 -12.299 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.247 -10.260 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.296 -11.963 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.384 -10.664 1.318 1.00 0.00 H new ATOM 363 N LEU A 22 8.017 -10.986 1.644 1.00 0.00 N ATOM 364 CA LEU A 22 9.473 -10.912 1.577 1.00 0.00 C ATOM 365 C LEU A 22 10.098 -12.185 2.144 1.00 0.00 C ATOM 366 O LEU A 22 11.077 -12.710 1.607 1.00 0.00 O ATOM 367 CB LEU A 22 9.980 -9.690 2.350 1.00 0.00 C ATOM 368 CG LEU A 22 11.485 -9.429 2.248 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.889 -9.142 0.807 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.888 -8.279 3.159 1.00 0.00 C ATOM 0 H LEU A 22 7.583 -10.247 2.197 1.00 0.00 H new ATOM 0 HA LEU A 22 9.765 -10.814 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.450 -8.808 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.720 -9.812 3.401 1.00 0.00 H new ATOM 0 HG LEU A 22 12.011 -10.327 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.963 -8.960 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.638 -9.999 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.355 -8.262 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.961 -8.107 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.351 -7.377 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.641 -8.528 4.191 1.00 0.00 H new ATOM 382 N LYS A 23 9.517 -12.680 3.225 1.00 0.00 N ATOM 383 CA LYS A 23 9.965 -13.922 3.841 1.00 0.00 C ATOM 384 C LYS A 23 9.737 -15.082 2.878 1.00 0.00 C ATOM 385 O LYS A 23 10.639 -15.876 2.604 1.00 0.00 O ATOM 386 CB LYS A 23 9.187 -14.159 5.137 1.00 0.00 C ATOM 387 CG LYS A 23 9.876 -15.079 6.142 1.00 0.00 C ATOM 388 CD LYS A 23 9.894 -16.528 5.672 1.00 0.00 C ATOM 389 CE LYS A 23 10.361 -17.465 6.770 1.00 0.00 C ATOM 390 NZ LYS A 23 10.398 -18.883 6.317 1.00 0.00 N ATOM 0 H LYS A 23 8.729 -12.238 3.698 1.00 0.00 H new ATOM 0 HA LYS A 23 11.029 -13.852 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.003 -13.196 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.214 -14.582 4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.899 -14.738 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.363 -15.016 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.895 -16.818 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.552 -16.623 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.354 -17.165 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.696 -17.376 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.166 -19.508 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.704 -19.022 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.350 -19.110 5.964 1.00 0.00 H new ATOM 404 N LYS A 24 8.525 -15.155 2.357 1.00 0.00 N ATOM 405 CA LYS A 24 8.142 -16.211 1.423 1.00 0.00 C ATOM 406 C LYS A 24 8.923 -16.126 0.110 1.00 0.00 C ATOM 407 O LYS A 24 9.107 -17.133 -0.572 1.00 0.00 O ATOM 408 CB LYS A 24 6.638 -16.165 1.160 1.00 0.00 C ATOM 409 CG LYS A 24 5.819 -16.840 2.249 1.00 0.00 C ATOM 410 CD LYS A 24 4.329 -16.751 1.969 1.00 0.00 C ATOM 411 CE LYS A 24 3.530 -17.667 2.886 1.00 0.00 C ATOM 412 NZ LYS A 24 3.804 -17.409 4.323 1.00 0.00 N ATOM 0 H LYS A 24 7.779 -14.491 2.565 1.00 0.00 H new ATOM 0 HA LYS A 24 8.392 -17.166 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.323 -15.125 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.428 -16.646 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.112 -17.887 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.037 -16.374 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.994 -15.722 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.137 -17.018 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.466 -17.532 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.767 -18.705 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.359 -18.151 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.831 -17.413 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.414 -16.482 4.590 1.00 0.00 H new ATOM 426 N ALA A 25 9.390 -14.930 -0.232 1.00 0.00 N ATOM 427 CA ALA A 25 10.218 -14.737 -1.415 1.00 0.00 C ATOM 428 C ALA A 25 11.553 -15.456 -1.256 1.00 0.00 C ATOM 429 O ALA A 25 12.146 -15.910 -2.232 1.00 0.00 O ATOM 430 CB ALA A 25 10.435 -13.256 -1.676 1.00 0.00 C ATOM 0 H ALA A 25 9.208 -14.077 0.296 1.00 0.00 H new ATOM 0 HA ALA A 25 9.699 -15.164 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.056 -13.130 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.472 -12.770 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.933 -12.804 -0.818 1.00 0.00 H new ATOM 436 N LYS A 26 12.013 -15.566 -0.014 1.00 0.00 N ATOM 437 CA LYS A 26 13.235 -16.299 0.290 1.00 0.00 C ATOM 438 C LYS A 26 12.989 -17.800 0.198 1.00 0.00 C ATOM 439 O LYS A 26 13.900 -18.573 -0.107 1.00 0.00 O ATOM 440 CB LYS A 26 13.759 -15.931 1.679 1.00 0.00 C ATOM 441 CG LYS A 26 14.328 -14.525 1.754 1.00 0.00 C ATOM 442 CD LYS A 26 14.844 -14.201 3.144 1.00 0.00 C ATOM 443 CE LYS A 26 15.641 -12.905 3.151 1.00 0.00 C ATOM 444 NZ LYS A 26 16.895 -13.023 2.356 1.00 0.00 N ATOM 0 H LYS A 26 11.556 -15.155 0.800 1.00 0.00 H new ATOM 0 HA LYS A 26 13.991 -16.022 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.949 -16.027 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.531 -16.644 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.138 -14.421 1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.558 -13.806 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.005 -14.118 3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.471 -15.018 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.028 -12.099 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.886 -12.634 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.554 -12.268 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.333 -13.949 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.674 -12.934 1.344 1.00 0.00 H new ATOM 458 N GLU A 27 11.756 -18.208 0.483 1.00 0.00 N ATOM 459 CA GLU A 27 11.363 -19.601 0.342 1.00 0.00 C ATOM 460 C GLU A 27 11.280 -19.967 -1.139 1.00 0.00 C ATOM 461 O GLU A 27 11.710 -21.044 -1.547 1.00 0.00 O ATOM 462 CB GLU A 27 10.030 -19.861 1.051 1.00 0.00 C ATOM 463 CG GLU A 27 10.107 -19.674 2.561 1.00 0.00 C ATOM 464 CD GLU A 27 8.814 -20.026 3.270 1.00 0.00 C ATOM 465 OE1 GLU A 27 8.043 -20.853 2.732 1.00 0.00 O ATOM 466 OE2 GLU A 27 8.572 -19.499 4.380 1.00 0.00 O ATOM 0 H GLU A 27 11.013 -17.591 0.813 1.00 0.00 H new ATOM 0 HA GLU A 27 12.116 -20.233 0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.273 -19.189 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.702 -20.878 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.912 -20.293 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.364 -18.638 2.780 1.00 0.00 H new ATOM 473 N GLY A 28 10.727 -19.061 -1.937 1.00 0.00 N ATOM 474 CA GLY A 28 10.793 -19.203 -3.379 1.00 0.00 C ATOM 475 C GLY A 28 9.669 -20.029 -3.978 1.00 0.00 C ATOM 476 O GLY A 28 9.754 -20.441 -5.133 1.00 0.00 O ATOM 0 H GLY A 28 10.234 -18.230 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.780 -18.211 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.746 -19.661 -3.644 1.00 0.00 H new ATOM 480 N ASP A 29 8.617 -20.277 -3.211 1.00 0.00 N ATOM 481 CA ASP A 29 7.477 -21.027 -3.731 1.00 0.00 C ATOM 482 C ASP A 29 6.645 -20.139 -4.642 1.00 0.00 C ATOM 483 O ASP A 29 6.094 -19.127 -4.208 1.00 0.00 O ATOM 484 CB ASP A 29 6.604 -21.583 -2.607 1.00 0.00 C ATOM 485 CG ASP A 29 5.432 -22.382 -3.146 1.00 0.00 C ATOM 486 OD1 ASP A 29 5.598 -23.594 -3.402 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.342 -21.807 -3.328 1.00 0.00 O ATOM 0 H ASP A 29 8.526 -19.976 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 29 7.866 -21.872 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.208 -22.217 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.233 -20.761 -1.995 1.00 0.00 H new ATOM 492 N GLU A 30 6.548 -20.530 -5.902 1.00 0.00 N ATOM 493 CA GLU A 30 5.925 -19.689 -6.912 1.00 0.00 C ATOM 494 C GLU A 30 4.404 -19.702 -6.795 1.00 0.00 C ATOM 495 O GLU A 30 3.751 -18.701 -7.092 1.00 0.00 O ATOM 496 CB GLU A 30 6.349 -20.133 -8.310 1.00 0.00 C ATOM 497 CG GLU A 30 5.918 -19.173 -9.407 1.00 0.00 C ATOM 498 CD GLU A 30 6.385 -19.612 -10.773 1.00 0.00 C ATOM 499 OE1 GLU A 30 7.553 -19.341 -11.115 1.00 0.00 O ATOM 500 OE2 GLU A 30 5.589 -20.232 -11.509 1.00 0.00 O ATOM 0 H GLU A 30 6.893 -21.425 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 30 6.264 -18.667 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.434 -20.239 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.928 -21.118 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.831 -19.090 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.313 -18.180 -9.193 1.00 0.00 H new ATOM 507 N GLN A 31 3.841 -20.823 -6.359 1.00 0.00 N ATOM 508 CA GLN A 31 2.393 -20.930 -6.214 1.00 0.00 C ATOM 509 C GLN A 31 1.904 -19.932 -5.174 1.00 0.00 C ATOM 510 O GLN A 31 0.908 -19.235 -5.379 1.00 0.00 O ATOM 511 CB GLN A 31 1.991 -22.345 -5.800 1.00 0.00 C ATOM 512 CG GLN A 31 0.498 -22.618 -5.946 1.00 0.00 C ATOM 513 CD GLN A 31 0.094 -23.989 -5.436 1.00 0.00 C ATOM 514 OE1 GLN A 31 -0.832 -24.615 -5.956 1.00 0.00 O ATOM 515 NE2 GLN A 31 0.769 -24.458 -4.399 1.00 0.00 N ATOM 0 H GLN A 31 4.359 -21.663 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 31 1.933 -20.708 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.545 -23.063 -6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.283 -22.509 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.060 -21.855 -5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.219 -22.530 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.529 -23.911 -3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.529 -25.367 -4.003 1.00 0.00 H new ATOM 524 N GLU A 32 2.618 -19.864 -4.060 1.00 0.00 N ATOM 525 CA GLU A 32 2.305 -18.906 -3.014 1.00 0.00 C ATOM 526 C GLU A 32 2.551 -17.484 -3.495 1.00 0.00 C ATOM 527 O GLU A 32 1.743 -16.594 -3.242 1.00 0.00 O ATOM 528 CB GLU A 32 3.130 -19.185 -1.759 1.00 0.00 C ATOM 529 CG GLU A 32 2.288 -19.566 -0.552 1.00 0.00 C ATOM 530 CD GLU A 32 1.480 -20.826 -0.782 1.00 0.00 C ATOM 531 OE1 GLU A 32 0.410 -20.746 -1.418 1.00 0.00 O ATOM 532 OE2 GLU A 32 1.914 -21.905 -0.329 1.00 0.00 O ATOM 0 H GLU A 32 3.419 -20.463 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 32 1.249 -19.013 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.835 -19.989 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.719 -18.300 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.939 -19.708 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.613 -18.745 -0.310 1.00 0.00 H new ATOM 539 N LEU A 33 3.657 -17.277 -4.205 1.00 0.00 N ATOM 540 CA LEU A 33 3.981 -15.959 -4.751 1.00 0.00 C ATOM 541 C LEU A 33 2.887 -15.479 -5.700 1.00 0.00 C ATOM 542 O LEU A 33 2.559 -14.296 -5.728 1.00 0.00 O ATOM 543 CB LEU A 33 5.329 -15.983 -5.474 1.00 0.00 C ATOM 544 CG LEU A 33 6.551 -16.184 -4.573 1.00 0.00 C ATOM 545 CD1 LEU A 33 7.822 -16.235 -5.406 1.00 0.00 C ATOM 546 CD2 LEU A 33 6.638 -15.076 -3.534 1.00 0.00 C ATOM 0 H LEU A 33 4.343 -18.002 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 33 4.047 -15.262 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.310 -16.781 -6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.448 -15.045 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 33 6.441 -17.135 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.681 -16.378 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.762 -17.064 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.936 -15.300 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.513 -15.236 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.724 -14.112 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.739 -15.084 -2.917 1.00 0.00 H new ATOM 558 N ALA A 34 2.322 -16.407 -6.467 1.00 0.00 N ATOM 559 CA ALA A 34 1.225 -16.086 -7.374 1.00 0.00 C ATOM 560 C ALA A 34 0.015 -15.577 -6.599 1.00 0.00 C ATOM 561 O ALA A 34 -0.668 -14.648 -7.032 1.00 0.00 O ATOM 562 CB ALA A 34 0.849 -17.301 -8.208 1.00 0.00 C ATOM 0 H ALA A 34 2.606 -17.387 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 34 1.559 -15.295 -8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.029 -17.043 -8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.710 -17.620 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.537 -18.112 -7.550 1.00 0.00 H new ATOM 568 N ARG A 35 -0.241 -16.194 -5.451 1.00 0.00 N ATOM 569 CA ARG A 35 -1.308 -15.747 -4.567 1.00 0.00 C ATOM 570 C ARG A 35 -0.966 -14.384 -3.984 1.00 0.00 C ATOM 571 O ARG A 35 -1.767 -13.451 -4.041 1.00 0.00 O ATOM 572 CB ARG A 35 -1.514 -16.747 -3.428 1.00 0.00 C ATOM 573 CG ARG A 35 -2.548 -16.299 -2.405 1.00 0.00 C ATOM 574 CD ARG A 35 -2.583 -17.215 -1.191 1.00 0.00 C ATOM 575 NE ARG A 35 -3.098 -18.548 -1.507 1.00 0.00 N ATOM 576 CZ ARG A 35 -3.163 -19.552 -0.630 1.00 0.00 C ATOM 577 NH1 ARG A 35 -2.707 -19.388 0.608 1.00 0.00 N ATOM 578 NH2 ARG A 35 -3.684 -20.719 -0.997 1.00 0.00 N ATOM 0 H ARG A 35 0.276 -17.005 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.227 -15.675 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.821 -17.705 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.562 -16.911 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.324 -15.281 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.533 -16.277 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.578 -17.306 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.204 -16.763 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.428 -18.720 -2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.306 -18.493 0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.758 -20.157 1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.033 -20.846 -1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.735 -21.488 -0.328 1.00 0.00 H new ATOM 592 N LEU A 36 0.239 -14.289 -3.439 1.00 0.00 N ATOM 593 CA LEU A 36 0.703 -13.081 -2.769 1.00 0.00 C ATOM 594 C LEU A 36 0.684 -11.876 -3.702 1.00 0.00 C ATOM 595 O LEU A 36 0.162 -10.825 -3.348 1.00 0.00 O ATOM 596 CB LEU A 36 2.123 -13.287 -2.233 1.00 0.00 C ATOM 597 CG LEU A 36 2.285 -14.426 -1.224 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.750 -14.601 -0.855 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.450 -14.167 0.018 1.00 0.00 C ATOM 0 H LEU A 36 0.922 -15.046 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 36 0.021 -12.883 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.788 -13.474 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.455 -12.360 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 36 1.931 -15.347 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.850 -15.415 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.325 -14.835 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.127 -13.679 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.580 -14.989 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.771 -13.236 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.399 -14.090 -0.260 1.00 0.00 H new ATOM 611 N ASN A 37 1.241 -12.047 -4.897 1.00 0.00 N ATOM 612 CA ASN A 37 1.363 -10.952 -5.859 1.00 0.00 C ATOM 613 C ASN A 37 -0.002 -10.330 -6.150 1.00 0.00 C ATOM 614 O ASN A 37 -0.158 -9.112 -6.087 1.00 0.00 O ATOM 615 CB ASN A 37 1.984 -11.471 -7.160 1.00 0.00 C ATOM 616 CG ASN A 37 2.516 -10.377 -8.082 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.476 -10.599 -8.815 1.00 0.00 O ATOM 618 ND2 ASN A 37 1.909 -9.198 -8.063 1.00 0.00 N ATOM 0 H ASN A 37 1.617 -12.937 -5.225 1.00 0.00 H new ATOM 0 HA ASN A 37 2.007 -10.185 -5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.800 -12.151 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.236 -12.053 -7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.237 -8.446 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.114 -9.044 -7.443 1.00 0.00 H new ATOM 625 N GLN A 38 -0.980 -11.171 -6.454 1.00 0.00 N ATOM 626 CA GLN A 38 -2.314 -10.715 -6.759 1.00 0.00 C ATOM 627 C GLN A 38 -3.000 -10.151 -5.523 1.00 0.00 C ATOM 628 O GLN A 38 -3.748 -9.175 -5.600 1.00 0.00 O ATOM 629 CB GLN A 38 -3.108 -11.880 -7.330 1.00 0.00 C ATOM 630 CG GLN A 38 -2.532 -12.448 -8.619 1.00 0.00 C ATOM 631 CD GLN A 38 -2.502 -11.448 -9.763 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.375 -10.242 -9.562 1.00 0.00 O ATOM 633 NE2 GLN A 38 -2.615 -11.948 -10.981 1.00 0.00 N ATOM 0 H GLN A 38 -0.864 -12.184 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.260 -9.910 -7.492 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.156 -12.674 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.131 -11.553 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.519 -12.802 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.121 -13.314 -8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.719 -12.954 -11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.598 -11.328 -11.791 1.00 0.00 H new ATOM 642 N GLU A 39 -2.730 -10.767 -4.380 1.00 0.00 N ATOM 643 CA GLU A 39 -3.352 -10.366 -3.131 1.00 0.00 C ATOM 644 C GLU A 39 -2.840 -8.994 -2.697 1.00 0.00 C ATOM 645 O GLU A 39 -3.589 -8.195 -2.139 1.00 0.00 O ATOM 646 CB GLU A 39 -3.095 -11.423 -2.053 1.00 0.00 C ATOM 647 CG GLU A 39 -4.049 -11.343 -0.877 1.00 0.00 C ATOM 648 CD GLU A 39 -4.009 -12.590 -0.020 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.683 -13.583 -0.377 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.303 -12.592 1.010 1.00 0.00 O ATOM 0 H GLU A 39 -2.081 -11.549 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.429 -10.287 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.170 -12.413 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.074 -11.315 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.797 -10.476 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.064 -11.190 -1.245 1.00 0.00 H new ATOM 657 N ILE A 40 -1.566 -8.715 -2.973 1.00 0.00 N ATOM 658 CA ILE A 40 -1.007 -7.390 -2.730 1.00 0.00 C ATOM 659 C ILE A 40 -1.715 -6.356 -3.601 1.00 0.00 C ATOM 660 O ILE A 40 -2.093 -5.287 -3.125 1.00 0.00 O ATOM 661 CB ILE A 40 0.513 -7.332 -3.015 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.284 -8.247 -2.060 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.022 -5.898 -2.897 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.771 -8.292 -2.346 1.00 0.00 C ATOM 0 H ILE A 40 -0.906 -9.387 -3.363 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.162 -7.168 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 40 0.680 -7.682 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.128 -7.907 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.877 -9.256 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.093 -5.874 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.502 -5.267 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.836 -5.528 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.258 -8.958 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.936 -8.660 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.190 -7.290 -2.251 1.00 0.00 H new ATOM 676 N VAL A 41 -1.908 -6.697 -4.873 1.00 0.00 N ATOM 677 CA VAL A 41 -2.606 -5.817 -5.807 1.00 0.00 C ATOM 678 C VAL A 41 -4.012 -5.511 -5.303 1.00 0.00 C ATOM 679 O VAL A 41 -4.445 -4.356 -5.298 1.00 0.00 O ATOM 680 CB VAL A 41 -2.693 -6.442 -7.217 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.487 -5.554 -8.163 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.304 -6.700 -7.776 1.00 0.00 C ATOM 0 H VAL A 41 -1.591 -7.577 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.032 -4.893 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.215 -7.395 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.531 -6.019 -9.148 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.498 -5.424 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.001 -4.582 -8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.388 -7.140 -8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.757 -5.759 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.769 -7.386 -7.119 1.00 0.00 H new ATOM 692 N LYS A 42 -4.720 -6.550 -4.874 1.00 0.00 N ATOM 693 CA LYS A 42 -6.061 -6.382 -4.331 1.00 0.00 C ATOM 694 C LYS A 42 -6.034 -5.574 -3.035 1.00 0.00 C ATOM 695 O LYS A 42 -6.842 -4.666 -2.852 1.00 0.00 O ATOM 696 CB LYS A 42 -6.726 -7.739 -4.090 1.00 0.00 C ATOM 697 CG LYS A 42 -8.122 -7.617 -3.508 1.00 0.00 C ATOM 698 CD LYS A 42 -8.789 -8.969 -3.339 1.00 0.00 C ATOM 699 CE LYS A 42 -10.178 -8.822 -2.736 1.00 0.00 C ATOM 700 NZ LYS A 42 -10.890 -10.124 -2.642 1.00 0.00 N ATOM 0 H LYS A 42 -4.388 -7.514 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.647 -5.832 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.777 -8.285 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.106 -8.327 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.069 -7.116 -2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.732 -6.991 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.860 -9.467 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.176 -9.603 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.096 -8.382 -1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.764 -8.132 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.831 -9.976 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.992 -10.533 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.345 -10.775 -2.042 1.00 0.00 H new ATOM 714 N ALA A 43 -5.097 -5.902 -2.151 1.00 0.00 N ATOM 715 CA ALA A 43 -4.972 -5.221 -0.866 1.00 0.00 C ATOM 716 C ALA A 43 -4.721 -3.732 -1.054 1.00 0.00 C ATOM 717 O ALA A 43 -5.348 -2.900 -0.395 1.00 0.00 O ATOM 718 CB ALA A 43 -3.858 -5.847 -0.040 1.00 0.00 C ATOM 0 H ALA A 43 -4.409 -6.640 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.914 -5.338 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.778 -5.328 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.083 -6.899 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.914 -5.763 -0.579 1.00 0.00 H new ATOM 724 N GLU A 44 -3.812 -3.406 -1.962 1.00 0.00 N ATOM 725 CA GLU A 44 -3.504 -2.019 -2.273 1.00 0.00 C ATOM 726 C GLU A 44 -4.739 -1.325 -2.843 1.00 0.00 C ATOM 727 O GLU A 44 -5.108 -0.235 -2.410 1.00 0.00 O ATOM 728 CB GLU A 44 -2.342 -1.946 -3.269 1.00 0.00 C ATOM 729 CG GLU A 44 -1.862 -0.531 -3.552 1.00 0.00 C ATOM 730 CD GLU A 44 -1.153 0.107 -2.369 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.814 0.423 -1.371 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.085 0.306 -2.441 1.00 0.00 O ATOM 0 H GLU A 44 -3.273 -4.087 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.207 -1.508 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.508 -2.532 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.650 -2.409 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.186 -0.547 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.715 0.086 -3.832 1.00 0.00 H new ATOM 739 N LYS A 45 -5.398 -1.987 -3.791 1.00 0.00 N ATOM 740 CA LYS A 45 -6.609 -1.454 -4.411 1.00 0.00 C ATOM 741 C LYS A 45 -7.689 -1.208 -3.358 1.00 0.00 C ATOM 742 O LYS A 45 -8.405 -0.205 -3.405 1.00 0.00 O ATOM 743 CB LYS A 45 -7.139 -2.433 -5.464 1.00 0.00 C ATOM 744 CG LYS A 45 -8.404 -1.954 -6.163 1.00 0.00 C ATOM 745 CD LYS A 45 -9.076 -3.069 -6.954 1.00 0.00 C ATOM 746 CE LYS A 45 -8.196 -3.578 -8.081 1.00 0.00 C ATOM 747 NZ LYS A 45 -8.868 -4.649 -8.853 1.00 0.00 N ATOM 0 H LYS A 45 -5.112 -2.899 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.358 -0.508 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.364 -2.604 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.339 -3.393 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.102 -1.564 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.158 -1.131 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.319 -3.893 -6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.017 -2.705 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.942 -2.753 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.260 -3.956 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.239 -4.974 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.088 -5.446 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.749 -4.280 -9.265 1.00 0.00 H new ATOM 761 N GLN A 46 -7.791 -2.136 -2.414 1.00 0.00 N ATOM 762 CA GLN A 46 -8.764 -2.044 -1.333 1.00 0.00 C ATOM 763 C GLN A 46 -8.539 -0.759 -0.542 1.00 0.00 C ATOM 764 O GLN A 46 -9.490 -0.055 -0.194 1.00 0.00 O ATOM 765 CB GLN A 46 -8.637 -3.261 -0.407 1.00 0.00 C ATOM 766 CG GLN A 46 -9.968 -3.775 0.118 1.00 0.00 C ATOM 767 CD GLN A 46 -10.829 -4.372 -0.979 1.00 0.00 C ATOM 768 OE1 GLN A 46 -10.323 -4.903 -1.967 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.138 -4.295 -0.808 1.00 0.00 N ATOM 0 H GLN A 46 -7.204 -2.970 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.768 -2.028 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.135 -4.065 -0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.001 -2.998 0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.787 -4.528 0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.508 -2.957 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.518 -3.846 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.768 -4.684 -1.510 1.00 0.00 H new ATOM 778 N GLY A 47 -7.273 -0.465 -0.268 1.00 0.00 N ATOM 779 CA GLY A 47 -6.918 0.764 0.414 1.00 0.00 C ATOM 780 C GLY A 47 -7.151 1.985 -0.453 1.00 0.00 C ATOM 781 O GLY A 47 -7.643 3.010 0.024 1.00 0.00 O ATOM 0 H GLY A 47 -6.481 -1.061 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.504 0.853 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.870 0.724 0.709 1.00 0.00 H new ATOM 785 N VAL A 48 -6.815 1.865 -1.734 1.00 0.00 N ATOM 786 CA VAL A 48 -7.006 2.952 -2.693 1.00 0.00 C ATOM 787 C VAL A 48 -8.464 3.396 -2.728 1.00 0.00 C ATOM 788 O VAL A 48 -8.753 4.589 -2.767 1.00 0.00 O ATOM 789 CB VAL A 48 -6.563 2.535 -4.118 1.00 0.00 C ATOM 790 CG1 VAL A 48 -6.937 3.598 -5.147 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.068 2.275 -4.158 1.00 0.00 C ATOM 0 H VAL A 48 -6.406 1.021 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.384 3.784 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.089 1.615 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.613 3.276 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.018 3.740 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.448 4.538 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.776 1.983 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.533 3.181 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.819 1.473 -3.462 1.00 0.00 H new ATOM 801 N LYS A 49 -9.376 2.432 -2.689 1.00 0.00 N ATOM 802 CA LYS A 49 -10.806 2.725 -2.713 1.00 0.00 C ATOM 803 C LYS A 49 -11.182 3.600 -1.515 1.00 0.00 C ATOM 804 O LYS A 49 -11.947 4.558 -1.648 1.00 0.00 O ATOM 805 CB LYS A 49 -11.607 1.416 -2.696 1.00 0.00 C ATOM 806 CG LYS A 49 -12.918 1.464 -3.475 1.00 0.00 C ATOM 807 CD LYS A 49 -13.931 2.409 -2.847 1.00 0.00 C ATOM 808 CE LYS A 49 -15.252 2.391 -3.603 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.877 1.040 -3.598 1.00 0.00 N ATOM 0 H LYS A 49 -9.151 1.438 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.045 3.269 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.985 0.620 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.824 1.151 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.718 1.779 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.344 0.462 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.101 2.125 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.529 3.422 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.937 3.109 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.086 2.710 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.876 1.119 -3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.379 0.424 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.813 0.632 -2.644 1.00 0.00 H new ATOM 823 N VAL A 50 -10.620 3.284 -0.354 1.00 0.00 N ATOM 824 CA VAL A 50 -10.902 4.036 0.862 1.00 0.00 C ATOM 825 C VAL A 50 -10.278 5.427 0.793 1.00 0.00 C ATOM 826 O VAL A 50 -10.896 6.416 1.186 1.00 0.00 O ATOM 827 CB VAL A 50 -10.380 3.297 2.113 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.705 4.073 3.381 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.955 1.891 2.183 1.00 0.00 C ATOM 0 H VAL A 50 -9.966 2.511 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.985 4.132 0.942 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.296 3.222 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.326 3.530 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.237 5.056 3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.785 4.189 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.575 1.386 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.043 1.945 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.660 1.333 1.295 1.00 0.00 H new ATOM 839 N TYR A 51 -9.055 5.502 0.280 1.00 0.00 N ATOM 840 CA TYR A 51 -8.378 6.782 0.116 1.00 0.00 C ATOM 841 C TYR A 51 -9.103 7.650 -0.911 1.00 0.00 C ATOM 842 O TYR A 51 -9.194 8.864 -0.745 1.00 0.00 O ATOM 843 CB TYR A 51 -6.913 6.581 -0.284 1.00 0.00 C ATOM 844 CG TYR A 51 -5.987 6.331 0.887 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.885 5.073 1.471 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.216 7.359 1.412 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.038 4.849 2.540 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.367 7.144 2.481 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.284 5.889 3.042 1.00 0.00 C ATOM 850 OH TYR A 51 -3.445 5.674 4.111 1.00 0.00 O ATOM 0 H TYR A 51 -8.514 4.694 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.398 7.298 1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.847 5.739 -0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.570 7.463 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.477 4.258 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.281 8.345 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.967 3.865 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.772 7.955 2.874 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.986 6.509 4.340 1.00 0.00 H new ATOM 860 N LYS A 52 -9.619 7.021 -1.966 1.00 0.00 N ATOM 861 CA LYS A 52 -10.434 7.722 -2.960 1.00 0.00 C ATOM 862 C LYS A 52 -11.650 8.348 -2.299 1.00 0.00 C ATOM 863 O LYS A 52 -11.984 9.508 -2.547 1.00 0.00 O ATOM 864 CB LYS A 52 -10.879 6.763 -4.068 1.00 0.00 C ATOM 865 CG LYS A 52 -9.805 6.492 -5.108 1.00 0.00 C ATOM 866 CD LYS A 52 -9.505 7.735 -5.932 1.00 0.00 C ATOM 867 CE LYS A 52 -8.319 7.523 -6.859 1.00 0.00 C ATOM 868 NZ LYS A 52 -8.042 8.725 -7.696 1.00 0.00 N ATOM 0 H LYS A 52 -9.488 6.027 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.826 8.510 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.183 5.818 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.757 7.177 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.895 6.153 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.129 5.686 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.383 8.002 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.301 8.573 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.436 7.282 -6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.513 6.668 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.226 8.538 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.875 8.941 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.831 9.536 -7.080 1.00 0.00 H new ATOM 882 N GLU A 53 -12.297 7.569 -1.448 1.00 0.00 N ATOM 883 CA GLU A 53 -13.432 8.029 -0.681 1.00 0.00 C ATOM 884 C GLU A 53 -13.048 9.210 0.206 1.00 0.00 C ATOM 885 O GLU A 53 -13.727 10.235 0.218 1.00 0.00 O ATOM 886 CB GLU A 53 -13.955 6.873 0.170 1.00 0.00 C ATOM 887 CG GLU A 53 -14.839 5.902 -0.591 1.00 0.00 C ATOM 888 CD GLU A 53 -16.196 6.490 -0.923 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.316 7.192 -1.945 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.157 6.241 -0.160 1.00 0.00 O ATOM 0 H GLU A 53 -12.045 6.596 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.212 8.367 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.108 6.328 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.517 7.279 1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.339 5.607 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.974 4.997 0.002 1.00 0.00 H new ATOM 897 N ALA A 54 -11.944 9.066 0.924 1.00 0.00 N ATOM 898 CA ALA A 54 -11.527 10.067 1.896 1.00 0.00 C ATOM 899 C ALA A 54 -11.008 11.344 1.243 1.00 0.00 C ATOM 900 O ALA A 54 -11.240 12.435 1.754 1.00 0.00 O ATOM 901 CB ALA A 54 -10.473 9.492 2.827 1.00 0.00 C ATOM 0 H ALA A 54 -11.319 8.263 0.852 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.414 10.338 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.171 10.252 3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.885 8.633 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.606 9.179 2.246 1.00 0.00 H new ATOM 907 N ALA A 55 -10.314 11.211 0.118 1.00 0.00 N ATOM 908 CA ALA A 55 -9.690 12.358 -0.545 1.00 0.00 C ATOM 909 C ALA A 55 -10.706 13.442 -0.878 1.00 0.00 C ATOM 910 O ALA A 55 -10.459 14.630 -0.660 1.00 0.00 O ATOM 911 CB ALA A 55 -8.962 11.915 -1.807 1.00 0.00 C ATOM 0 H ALA A 55 -10.167 10.320 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.968 12.783 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.505 12.781 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.188 11.193 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.672 11.453 -2.493 1.00 0.00 H new ATOM 917 N GLU A 56 -11.860 13.035 -1.380 1.00 0.00 N ATOM 918 CA GLU A 56 -12.865 13.996 -1.810 1.00 0.00 C ATOM 919 C GLU A 56 -13.903 14.221 -0.719 1.00 0.00 C ATOM 920 O GLU A 56 -14.881 14.945 -0.908 1.00 0.00 O ATOM 921 CB GLU A 56 -13.514 13.548 -3.117 1.00 0.00 C ATOM 922 CG GLU A 56 -12.508 13.429 -4.254 1.00 0.00 C ATOM 923 CD GLU A 56 -13.156 13.280 -5.612 1.00 0.00 C ATOM 924 OE1 GLU A 56 -13.489 14.317 -6.227 1.00 0.00 O ATOM 925 OE2 GLU A 56 -13.318 12.135 -6.077 1.00 0.00 O ATOM 0 H GLU A 56 -12.124 12.057 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.372 14.950 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.003 12.585 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.291 14.259 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.869 14.312 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.863 12.570 -4.071 1.00 0.00 H new ATOM 932 N LYS A 57 -13.672 13.600 0.428 1.00 0.00 N ATOM 933 CA LYS A 57 -14.475 13.847 1.611 1.00 0.00 C ATOM 934 C LYS A 57 -13.682 14.652 2.631 1.00 0.00 C ATOM 935 O LYS A 57 -14.212 15.037 3.675 1.00 0.00 O ATOM 936 CB LYS A 57 -14.926 12.534 2.238 1.00 0.00 C ATOM 937 CG LYS A 57 -16.092 11.879 1.523 1.00 0.00 C ATOM 938 CD LYS A 57 -16.511 10.600 2.220 1.00 0.00 C ATOM 939 CE LYS A 57 -17.751 10.000 1.585 1.00 0.00 C ATOM 940 NZ LYS A 57 -18.940 10.881 1.733 1.00 0.00 N ATOM 0 H LYS A 57 -12.928 12.916 0.562 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.355 14.416 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.085 11.841 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.205 12.715 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.934 12.570 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.814 11.661 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.695 9.878 2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.703 10.805 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.564 9.820 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.959 9.032 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.802 10.339 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.988 11.239 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.863 11.682 1.074 1.00 0.00 H new ATOM 954 N ALA A 58 -12.407 14.894 2.315 1.00 0.00 N ATOM 955 CA ALA A 58 -11.516 15.637 3.196 1.00 0.00 C ATOM 956 C ALA A 58 -12.136 16.962 3.613 1.00 0.00 C ATOM 957 O ALA A 58 -12.702 17.689 2.791 1.00 0.00 O ATOM 958 CB ALA A 58 -10.171 15.864 2.522 1.00 0.00 C ATOM 0 H ALA A 58 -11.971 14.581 1.448 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.359 15.043 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.517 16.420 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.715 14.902 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.316 16.432 1.603 1.00 0.00 H new ATOM 964 N ARG A 59 -12.009 17.266 4.892 1.00 0.00 N ATOM 965 CA ARG A 59 -12.652 18.424 5.490 1.00 0.00 C ATOM 966 C ARG A 59 -11.821 19.684 5.275 1.00 0.00 C ATOM 967 O ARG A 59 -12.238 20.784 5.630 1.00 0.00 O ATOM 968 CB ARG A 59 -12.848 18.171 6.986 1.00 0.00 C ATOM 969 CG ARG A 59 -13.764 16.991 7.281 1.00 0.00 C ATOM 970 CD ARG A 59 -13.485 16.393 8.651 1.00 0.00 C ATOM 971 NE ARG A 59 -13.540 17.392 9.716 1.00 0.00 N ATOM 972 CZ ARG A 59 -12.799 17.338 10.822 1.00 0.00 C ATOM 973 NH1 ARG A 59 -11.960 16.328 11.023 1.00 0.00 N ATOM 974 NH2 ARG A 59 -12.895 18.303 11.724 1.00 0.00 N ATOM 0 H ARG A 59 -11.455 16.715 5.548 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.619 18.577 5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.877 17.993 7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.261 19.068 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.803 17.315 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.631 16.226 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.212 15.607 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.501 15.924 8.646 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.183 18.176 9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.879 15.586 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.396 16.294 11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.534 19.083 11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.330 18.266 12.572 1.00 0.00 H new ATOM 988 N ASN A 60 -10.649 19.513 4.683 1.00 0.00 N ATOM 989 CA ASN A 60 -9.731 20.617 4.454 1.00 0.00 C ATOM 990 C ASN A 60 -8.959 20.399 3.151 1.00 0.00 C ATOM 991 O ASN A 60 -8.492 19.292 2.881 1.00 0.00 O ATOM 992 CB ASN A 60 -8.783 20.747 5.656 1.00 0.00 C ATOM 993 CG ASN A 60 -7.605 21.660 5.398 1.00 0.00 C ATOM 994 OD1 ASN A 60 -6.556 21.209 4.959 1.00 0.00 O ATOM 995 ND2 ASN A 60 -7.768 22.946 5.664 1.00 0.00 N ATOM 0 H ASN A 60 -10.309 18.611 4.350 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.289 21.548 4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.343 21.123 6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.414 19.758 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.003 23.601 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.659 23.282 6.029 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.836 21.452 2.317 1.00 0.00 N ATOM 1003 CA PRO A 61 -8.174 21.375 1.002 1.00 0.00 C ATOM 1004 C PRO A 61 -6.741 20.844 1.074 1.00 0.00 C ATOM 1005 O PRO A 61 -6.334 20.037 0.240 1.00 0.00 O ATOM 1006 CB PRO A 61 -8.181 22.827 0.499 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.498 23.663 1.695 1.00 0.00 C ATOM 1008 CD PRO A 61 -9.345 22.805 2.586 1.00 0.00 C ATOM 0 HA PRO A 61 -8.693 20.677 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.215 23.100 0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.925 22.967 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.587 23.975 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.029 24.570 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.233 23.078 3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.404 22.894 2.345 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.990 21.296 2.075 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.613 20.851 2.276 1.00 0.00 C ATOM 1018 C GLU A 62 -4.572 19.344 2.442 1.00 0.00 C ATOM 1019 O GLU A 62 -3.748 18.652 1.842 1.00 0.00 O ATOM 1020 CB GLU A 62 -4.056 21.503 3.532 1.00 0.00 C ATOM 1021 CG GLU A 62 -2.578 21.259 3.772 1.00 0.00 C ATOM 1022 CD GLU A 62 -2.119 21.861 5.082 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -2.255 21.196 6.132 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -1.636 23.015 5.076 1.00 0.00 O ATOM 0 H GLU A 62 -6.314 21.975 2.764 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.016 21.134 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.228 22.578 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.615 21.137 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.382 20.187 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.000 21.686 2.952 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.497 18.853 3.244 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.606 17.427 3.525 1.00 0.00 C ATOM 1033 C LYS A 63 -5.984 16.661 2.265 1.00 0.00 C ATOM 1034 O LYS A 63 -5.500 15.550 2.037 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.637 17.172 4.630 1.00 0.00 C ATOM 1036 CG LYS A 63 -6.438 18.050 5.855 1.00 0.00 C ATOM 1037 CD LYS A 63 -4.990 18.050 6.307 1.00 0.00 C ATOM 1038 CE LYS A 63 -4.749 19.063 7.409 1.00 0.00 C ATOM 1039 NZ LYS A 63 -3.301 19.214 7.708 1.00 0.00 N ATOM 0 H LYS A 63 -6.194 19.426 3.720 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.634 17.072 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.637 17.340 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.586 16.125 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.750 19.070 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.074 17.695 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.719 17.055 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.343 18.274 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.162 20.027 7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.277 18.753 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.183 19.737 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.865 18.274 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.840 19.737 6.936 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.840 17.264 1.443 1.00 0.00 N ATOM 1054 CA ARG A 64 -7.214 16.677 0.161 1.00 0.00 C ATOM 1055 C ARG A 64 -5.974 16.431 -0.688 1.00 0.00 C ATOM 1056 O ARG A 64 -5.799 15.347 -1.237 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.190 17.585 -0.598 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.435 17.136 -2.032 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.383 18.067 -2.769 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.775 17.881 -2.358 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.788 17.757 -3.215 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -11.571 17.814 -4.524 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -13.025 17.573 -2.767 1.00 0.00 N ATOM 0 H ARG A 64 -7.287 18.159 1.643 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.710 15.727 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.140 17.612 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.799 18.603 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.485 17.091 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.847 16.127 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.088 19.100 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.297 17.895 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.982 17.844 -1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.625 17.953 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.351 17.718 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.202 17.526 -1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.797 17.479 -3.426 1.00 0.00 H new ATOM 1077 N GLN A 65 -5.111 17.438 -0.769 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.890 17.357 -1.544 1.00 0.00 C ATOM 1079 C GLN A 65 -3.013 16.208 -1.065 1.00 0.00 C ATOM 1080 O GLN A 65 -2.471 15.451 -1.872 1.00 0.00 O ATOM 1081 CB GLN A 65 -3.133 18.672 -1.417 1.00 0.00 C ATOM 1082 CG GLN A 65 -3.933 19.891 -1.854 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.206 21.192 -1.579 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.360 21.795 -0.518 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.399 21.625 -2.530 1.00 0.00 N ATOM 0 H GLN A 65 -5.244 18.332 -0.297 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.147 17.173 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.826 18.804 -0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.223 18.615 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.148 19.817 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.892 19.898 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.300 21.094 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.875 22.490 -2.399 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.884 16.086 0.250 1.00 0.00 N ATOM 1095 CA VAL A 66 -2.075 15.033 0.846 1.00 0.00 C ATOM 1096 C VAL A 66 -2.619 13.655 0.477 1.00 0.00 C ATOM 1097 O VAL A 66 -1.894 12.822 -0.065 1.00 0.00 O ATOM 1098 CB VAL A 66 -2.023 15.168 2.385 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.159 14.078 2.998 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.512 16.544 2.786 1.00 0.00 C ATOM 0 H VAL A 66 -3.331 16.706 0.925 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.065 15.139 0.450 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.037 15.052 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.139 14.196 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.573 13.101 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.145 14.154 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.483 16.619 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.509 16.691 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.178 17.310 2.387 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.902 13.435 0.741 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.527 12.141 0.470 1.00 0.00 C ATOM 1112 C ILE A 67 -4.512 11.831 -1.028 1.00 0.00 C ATOM 1113 O ILE A 67 -4.277 10.697 -1.430 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.981 12.091 0.990 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.021 12.433 2.483 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.588 10.712 0.750 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.418 12.483 3.066 1.00 0.00 C ATOM 0 H ILE A 67 -4.530 14.132 1.141 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.943 11.388 1.000 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.569 12.828 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.436 11.694 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.539 13.398 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.612 10.695 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.587 10.495 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.999 9.959 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.361 12.731 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.002 13.243 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.897 11.511 2.946 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.745 12.860 -1.836 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.784 12.717 -3.293 1.00 0.00 C ATOM 1131 C ASP A 68 -3.433 12.273 -3.844 1.00 0.00 C ATOM 1132 O ASP A 68 -3.350 11.353 -4.658 1.00 0.00 O ATOM 1133 CB ASP A 68 -5.188 14.048 -3.937 1.00 0.00 C ATOM 1134 CG ASP A 68 -5.263 13.970 -5.445 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -6.297 13.512 -5.972 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.290 14.379 -6.112 1.00 0.00 O ATOM 0 H ASP A 68 -4.911 13.811 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.521 11.951 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.157 14.357 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.470 14.817 -3.653 1.00 0.00 H new ATOM 1141 N LYS A 69 -2.380 12.942 -3.415 1.00 0.00 N ATOM 1142 CA LYS A 69 -1.039 12.611 -3.873 1.00 0.00 C ATOM 1143 C LYS A 69 -0.544 11.281 -3.299 1.00 0.00 C ATOM 1144 O LYS A 69 0.204 10.558 -3.958 1.00 0.00 O ATOM 1145 CB LYS A 69 -0.080 13.757 -3.573 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.285 14.928 -4.523 1.00 0.00 C ATOM 1147 CD LYS A 69 0.601 16.114 -4.190 1.00 0.00 C ATOM 1148 CE LYS A 69 0.561 17.149 -5.305 1.00 0.00 C ATOM 1149 NZ LYS A 69 -0.827 17.583 -5.626 1.00 0.00 N ATOM 0 H LYS A 69 -2.424 13.716 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.077 12.476 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.224 14.092 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.947 13.401 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.082 14.603 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.329 15.239 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.273 16.568 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.626 15.776 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.152 18.017 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.025 16.734 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.795 18.424 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.326 16.815 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.331 17.814 -4.746 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.965 10.948 -2.082 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.692 9.622 -1.528 1.00 0.00 C ATOM 1165 C ILE A 70 -1.437 8.565 -2.341 1.00 0.00 C ATOM 1166 O ILE A 70 -0.920 7.476 -2.605 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.095 9.521 -0.035 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.193 10.418 0.820 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.027 8.078 0.452 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -0.559 10.421 2.290 1.00 0.00 C ATOM 0 H ILE A 70 -1.490 11.568 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 70 0.383 9.450 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.125 9.863 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.840 10.088 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.244 11.438 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.314 8.035 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.708 7.463 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.010 7.703 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.121 11.077 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.581 10.779 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.481 9.409 2.687 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.655 8.914 -2.745 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.476 8.064 -3.599 1.00 0.00 C ATOM 1184 C LEU A 71 -2.744 7.720 -4.888 1.00 0.00 C ATOM 1185 O LEU A 71 -2.830 6.593 -5.375 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.780 8.786 -3.933 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.020 8.263 -3.230 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.202 9.174 -3.513 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.320 6.841 -3.679 1.00 0.00 C ATOM 0 H LEU A 71 -3.100 9.795 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.688 7.139 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.663 9.841 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.942 8.726 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.839 8.252 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.087 8.791 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.982 10.178 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.387 9.208 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.211 6.478 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.489 6.827 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.475 6.197 -3.436 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.029 8.701 -5.427 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.257 8.515 -6.647 1.00 0.00 C ATOM 1203 C GLU A 72 -0.254 7.388 -6.483 1.00 0.00 C ATOM 1204 O GLU A 72 -0.134 6.519 -7.337 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.493 9.797 -6.971 1.00 0.00 C ATOM 1206 CG GLU A 72 0.379 9.691 -8.210 1.00 0.00 C ATOM 1207 CD GLU A 72 1.394 10.811 -8.307 1.00 0.00 C ATOM 1208 OE1 GLU A 72 1.003 11.943 -8.657 1.00 0.00 O ATOM 1209 OE2 GLU A 72 2.590 10.554 -8.043 1.00 0.00 O ATOM 0 H GLU A 72 -1.969 9.640 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.949 8.269 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.206 10.610 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.133 10.062 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.900 8.734 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.254 9.702 -9.097 1.00 0.00 H new ATOM 1216 N ASP A 73 0.452 7.409 -5.365 1.00 0.00 N ATOM 1217 CA ASP A 73 1.492 6.421 -5.110 1.00 0.00 C ATOM 1218 C ASP A 73 0.907 5.032 -4.917 1.00 0.00 C ATOM 1219 O ASP A 73 1.480 4.055 -5.380 1.00 0.00 O ATOM 1220 CB ASP A 73 2.358 6.817 -3.915 1.00 0.00 C ATOM 1221 CG ASP A 73 3.336 7.922 -4.269 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.146 7.722 -5.204 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.299 8.997 -3.635 1.00 0.00 O ATOM 0 H ASP A 73 0.326 8.095 -4.621 1.00 0.00 H new ATOM 0 HA ASP A 73 2.131 6.393 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.719 7.146 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.908 5.945 -3.560 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.237 4.940 -4.260 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.878 3.643 -4.054 1.00 0.00 C ATOM 1230 C GLU A 74 -1.402 3.086 -5.381 1.00 0.00 C ATOM 1231 O GLU A 74 -1.221 1.905 -5.686 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.999 3.758 -3.025 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.545 4.341 -1.691 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.532 3.477 -0.950 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.239 2.723 -1.598 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.474 3.572 0.300 1.00 0.00 O ATOM 0 H GLU A 74 -0.739 5.734 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.135 2.946 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.793 4.383 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.427 2.770 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.109 5.325 -1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.417 4.487 -1.054 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.033 3.949 -6.167 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.452 3.639 -7.517 1.00 0.00 C ATOM 1245 C GLU A 75 -1.245 3.216 -8.365 1.00 0.00 C ATOM 1246 O GLU A 75 -1.323 2.306 -9.191 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.121 4.906 -8.047 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.207 5.045 -9.546 1.00 0.00 C ATOM 1249 CD GLU A 75 -2.611 6.368 -9.970 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.170 7.413 -9.575 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -1.473 6.335 -10.468 1.00 0.00 O ATOM 0 H GLU A 75 -2.269 4.897 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.148 2.801 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.132 4.953 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.580 5.767 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.675 4.225 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.247 4.984 -9.868 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.127 3.880 -8.113 1.00 0.00 N ATOM 1259 CA LYS A 76 1.143 3.611 -8.781 1.00 0.00 C ATOM 1260 C LYS A 76 1.712 2.253 -8.361 1.00 0.00 C ATOM 1261 O LYS A 76 2.288 1.532 -9.173 1.00 0.00 O ATOM 1262 CB LYS A 76 2.107 4.736 -8.403 1.00 0.00 C ATOM 1263 CG LYS A 76 3.367 4.847 -9.239 1.00 0.00 C ATOM 1264 CD LYS A 76 4.231 5.994 -8.727 1.00 0.00 C ATOM 1265 CE LYS A 76 3.437 7.295 -8.661 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.135 8.349 -7.874 1.00 0.00 N ATOM 0 H LYS A 76 -0.073 4.634 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 76 0.997 3.575 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.570 5.683 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.398 4.602 -7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.926 3.912 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.107 5.015 -10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.616 5.749 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.093 6.124 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.258 7.660 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.462 7.100 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.801 9.286 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.932 8.218 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.160 8.279 -8.033 1.00 0.00 H new ATOM 1280 N HIS A 77 1.548 1.910 -7.086 1.00 0.00 N ATOM 1281 CA HIS A 77 2.054 0.648 -6.555 1.00 0.00 C ATOM 1282 C HIS A 77 1.352 -0.536 -7.209 1.00 0.00 C ATOM 1283 O HIS A 77 1.961 -1.590 -7.429 1.00 0.00 O ATOM 1284 CB HIS A 77 1.876 0.588 -5.034 1.00 0.00 C ATOM 1285 CG HIS A 77 2.728 1.568 -4.281 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.425 1.949 -2.989 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.860 2.202 -4.676 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.384 2.800 -2.638 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.268 2.983 -3.626 1.00 0.00 N ATOM 0 H HIS A 77 1.067 2.491 -6.399 1.00 0.00 H new ATOM 0 HA HIS A 77 3.118 0.592 -6.785 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.829 0.772 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.109 -0.420 -4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.347 2.109 -5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.443 3.284 -1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.089 3.588 -3.602 1.00 0.00 H new ATOM 1297 N ILE A 78 0.074 -0.359 -7.515 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.691 -1.371 -8.232 1.00 0.00 C ATOM 1299 C ILE A 78 -0.071 -1.614 -9.604 1.00 0.00 C ATOM 1300 O ILE A 78 0.100 -2.758 -10.032 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.164 -0.943 -8.407 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.812 -0.707 -7.042 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.942 -1.990 -9.195 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -4.229 -0.177 -7.117 1.00 0.00 C ATOM 0 H ILE A 78 -0.457 0.479 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.666 -2.288 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.187 -0.010 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.814 -1.644 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.201 -0.003 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.977 -1.667 -9.306 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.492 -2.112 -10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.914 -2.941 -8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.619 -0.036 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.233 0.777 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.856 -0.890 -7.652 1.00 0.00 H new ATOM 1316 N GLU A 79 0.292 -0.522 -10.265 1.00 0.00 N ATOM 1317 CA GLU A 79 0.909 -0.569 -11.578 1.00 0.00 C ATOM 1318 C GLU A 79 2.209 -1.372 -11.550 1.00 0.00 C ATOM 1319 O GLU A 79 2.479 -2.167 -12.454 1.00 0.00 O ATOM 1320 CB GLU A 79 1.171 0.857 -12.063 1.00 0.00 C ATOM 1321 CG GLU A 79 -0.095 1.658 -12.304 1.00 0.00 C ATOM 1322 CD GLU A 79 -1.041 0.971 -13.266 1.00 0.00 C ATOM 1323 OE1 GLU A 79 -0.618 0.645 -14.394 1.00 0.00 O ATOM 1324 OE2 GLU A 79 -2.213 0.756 -12.899 1.00 0.00 O ATOM 0 H GLU A 79 0.165 0.423 -9.902 1.00 0.00 H new ATOM 0 HA GLU A 79 0.229 -1.070 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.785 1.376 -11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.748 0.818 -12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.604 1.822 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.169 2.639 -12.698 1.00 0.00 H new ATOM 1331 N TRP A 80 3.005 -1.166 -10.503 1.00 0.00 N ATOM 1332 CA TRP A 80 4.285 -1.859 -10.366 1.00 0.00 C ATOM 1333 C TRP A 80 4.078 -3.364 -10.235 1.00 0.00 C ATOM 1334 O TRP A 80 4.743 -4.157 -10.904 1.00 0.00 O ATOM 1335 CB TRP A 80 5.045 -1.350 -9.136 1.00 0.00 C ATOM 1336 CG TRP A 80 5.431 0.097 -9.201 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.329 0.931 -10.276 1.00 0.00 C ATOM 1338 CD2 TRP A 80 5.998 0.877 -8.142 1.00 0.00 C ATOM 1339 NE1 TRP A 80 5.786 2.182 -9.947 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.202 2.175 -8.640 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.344 0.603 -6.813 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.744 3.196 -7.863 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.881 1.616 -6.042 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.072 2.900 -6.568 1.00 0.00 C ATOM 0 H TRP A 80 2.787 -0.527 -9.739 1.00 0.00 H new ATOM 0 HA TRP A 80 4.868 -1.654 -11.264 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.428 -1.509 -8.251 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.947 -1.949 -9.008 1.00 0.00 H new ATOM 0 HD1 TRP A 80 4.945 0.648 -11.245 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.812 2.987 -10.573 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.194 -0.383 -6.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.900 4.185 -8.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.158 1.415 -5.018 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.487 3.673 -5.938 1.00 0.00 H new ATOM 1355 N HIS A 81 3.137 -3.749 -9.383 1.00 0.00 N ATOM 1356 CA HIS A 81 2.869 -5.157 -9.129 1.00 0.00 C ATOM 1357 C HIS A 81 2.225 -5.832 -10.331 1.00 0.00 C ATOM 1358 O HIS A 81 2.415 -7.027 -10.552 1.00 0.00 O ATOM 1359 CB HIS A 81 2.001 -5.321 -7.883 1.00 0.00 C ATOM 1360 CG HIS A 81 2.807 -5.530 -6.639 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.458 -4.525 -5.955 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.090 -6.678 -5.970 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.105 -5.083 -4.922 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.912 -6.386 -4.888 1.00 0.00 N ATOM 0 H HIS A 81 2.547 -3.105 -8.856 1.00 0.00 H new ATOM 0 HA HIS A 81 3.825 -5.650 -8.953 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.376 -4.436 -7.762 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.330 -6.168 -8.022 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.733 -7.662 -6.237 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.706 -4.536 -4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.289 -7.045 -4.207 1.00 0.00 H new ATOM 1372 N LYS A 82 1.458 -5.066 -11.097 1.00 0.00 N ATOM 1373 CA LYS A 82 0.828 -5.578 -12.308 1.00 0.00 C ATOM 1374 C LYS A 82 1.892 -6.039 -13.304 1.00 0.00 C ATOM 1375 O LYS A 82 1.798 -7.132 -13.866 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.070 -4.492 -12.927 1.00 0.00 C ATOM 1377 CG LYS A 82 -0.926 -4.956 -14.109 1.00 0.00 C ATOM 1378 CD LYS A 82 -0.144 -4.970 -15.415 1.00 0.00 C ATOM 1379 CE LYS A 82 -1.015 -5.402 -16.581 1.00 0.00 C ATOM 1380 NZ LYS A 82 -0.258 -5.434 -17.860 1.00 0.00 N ATOM 0 H LYS A 82 1.257 -4.086 -10.901 1.00 0.00 H new ATOM 0 HA LYS A 82 0.208 -6.438 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.729 -4.102 -12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.560 -3.665 -13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.310 -5.956 -13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.789 -4.298 -14.211 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.259 -3.976 -15.609 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.706 -5.647 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.427 -6.391 -16.379 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.859 -4.718 -16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.890 -5.734 -18.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.114 -4.485 -18.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.532 -6.105 -17.779 1.00 0.00 H new ATOM 1394 N ALA A 83 2.910 -5.209 -13.504 1.00 0.00 N ATOM 1395 CA ALA A 83 3.971 -5.510 -14.458 1.00 0.00 C ATOM 1396 C ALA A 83 4.868 -6.642 -13.960 1.00 0.00 C ATOM 1397 O ALA A 83 5.361 -7.449 -14.747 1.00 0.00 O ATOM 1398 CB ALA A 83 4.798 -4.261 -14.729 1.00 0.00 C ATOM 0 H ALA A 83 3.023 -4.320 -13.017 1.00 0.00 H new ATOM 0 HA ALA A 83 3.505 -5.841 -15.386 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.588 -4.495 -15.443 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.156 -3.482 -15.141 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.243 -3.910 -13.798 1.00 0.00 H new ATOM 1404 N ALA A 84 5.073 -6.690 -12.650 1.00 0.00 N ATOM 1405 CA ALA A 84 5.927 -7.700 -12.034 1.00 0.00 C ATOM 1406 C ALA A 84 5.290 -9.087 -12.069 1.00 0.00 C ATOM 1407 O ALA A 84 5.991 -10.096 -12.110 1.00 0.00 O ATOM 1408 CB ALA A 84 6.253 -7.310 -10.601 1.00 0.00 C ATOM 0 H ALA A 84 4.656 -6.036 -11.988 1.00 0.00 H new ATOM 0 HA ALA A 84 6.848 -7.747 -12.615 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.891 -8.072 -10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.772 -6.352 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.330 -7.226 -10.028 1.00 0.00 H new ATOM 1414 N SER A 85 3.961 -9.120 -12.042 1.00 0.00 N ATOM 1415 CA SER A 85 3.213 -10.368 -11.916 1.00 0.00 C ATOM 1416 C SER A 85 3.436 -11.303 -13.110 1.00 0.00 C ATOM 1417 O SER A 85 2.804 -11.152 -14.156 1.00 0.00 O ATOM 1418 CB SER A 85 1.719 -10.061 -11.762 1.00 0.00 C ATOM 1419 OG SER A 85 0.979 -11.214 -11.393 1.00 0.00 O ATOM 0 H SER A 85 3.374 -8.288 -12.106 1.00 0.00 H new ATOM 0 HA SER A 85 3.581 -10.884 -11.029 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.583 -9.285 -11.008 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.331 -9.665 -12.700 1.00 0.00 H new ATOM 0 HG SER A 85 0.032 -10.980 -11.303 1.00 0.00 H new ATOM 1425 N LYS A 86 4.350 -12.256 -12.940 1.00 0.00 N ATOM 1426 CA LYS A 86 4.593 -13.306 -13.926 1.00 0.00 C ATOM 1427 C LYS A 86 5.127 -14.557 -13.245 1.00 0.00 C ATOM 1428 O LYS A 86 5.249 -14.601 -12.021 1.00 0.00 O ATOM 1429 CB LYS A 86 5.590 -12.859 -15.003 1.00 0.00 C ATOM 1430 CG LYS A 86 4.982 -12.007 -16.105 1.00 0.00 C ATOM 1431 CD LYS A 86 5.912 -11.912 -17.302 1.00 0.00 C ATOM 1432 CE LYS A 86 6.194 -13.286 -17.896 1.00 0.00 C ATOM 1433 NZ LYS A 86 7.089 -13.211 -19.079 1.00 0.00 N ATOM 0 H LYS A 86 4.944 -12.322 -12.113 1.00 0.00 H new ATOM 0 HA LYS A 86 3.639 -13.521 -14.407 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.393 -12.297 -14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.043 -13.743 -15.452 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.029 -12.435 -16.415 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.774 -11.008 -15.723 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.466 -11.270 -18.062 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.849 -11.445 -17.000 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.650 -13.922 -17.137 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.253 -13.756 -18.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.254 -14.168 -19.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.644 -12.626 -19.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.997 -12.786 -18.801 1.00 0.00 H new ATOM 1447 N GLN A 87 5.432 -15.577 -14.038 1.00 0.00 N ATOM 1448 CA GLN A 87 6.030 -16.798 -13.520 1.00 0.00 C ATOM 1449 C GLN A 87 7.534 -16.606 -13.346 1.00 0.00 C ATOM 1450 O GLN A 87 8.317 -16.878 -14.257 1.00 0.00 O ATOM 1451 CB GLN A 87 5.764 -17.997 -14.440 1.00 0.00 C ATOM 1452 CG GLN A 87 4.302 -18.177 -14.831 1.00 0.00 C ATOM 1453 CD GLN A 87 3.930 -17.427 -16.101 1.00 0.00 C ATOM 1454 OE1 GLN A 87 4.523 -16.399 -16.430 1.00 0.00 O ATOM 1455 NE2 GLN A 87 2.941 -17.934 -16.819 1.00 0.00 N ATOM 0 H GLN A 87 5.274 -15.581 -15.046 1.00 0.00 H new ATOM 0 HA GLN A 87 5.570 -17.009 -12.555 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.359 -17.883 -15.346 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.109 -18.904 -13.944 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.097 -19.239 -14.969 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.668 -17.833 -14.014 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.474 -18.788 -16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.645 -17.471 -17.678 1.00 0.00 H new ATOM 1464 N GLY A 88 7.923 -16.109 -12.187 1.00 0.00 N ATOM 1465 CA GLY A 88 9.319 -15.829 -11.929 1.00 0.00 C ATOM 1466 C GLY A 88 9.488 -14.452 -11.335 1.00 0.00 C ATOM 1467 O GLY A 88 8.686 -14.049 -10.490 1.00 0.00 O ATOM 0 H GLY A 88 7.294 -15.892 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.725 -16.576 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.887 -15.902 -12.857 1.00 0.00 H new ATOM 1471 N ASN A 89 10.528 -13.729 -11.768 1.00 0.00 N ATOM 1472 CA ASN A 89 10.750 -12.355 -11.331 1.00 0.00 C ATOM 1473 C ASN A 89 10.982 -12.319 -9.819 1.00 0.00 C ATOM 1474 O ASN A 89 10.824 -11.290 -9.183 1.00 0.00 O ATOM 1475 CB ASN A 89 9.542 -11.486 -11.735 1.00 0.00 C ATOM 1476 CG ASN A 89 9.821 -9.993 -11.701 1.00 0.00 C ATOM 1477 OD1 ASN A 89 10.331 -9.426 -12.664 1.00 0.00 O ATOM 1478 ND2 ASN A 89 9.447 -9.342 -10.610 1.00 0.00 N ATOM 0 H ASN A 89 11.228 -14.078 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 89 11.640 -11.952 -11.815 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.226 -11.764 -12.741 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.709 -11.706 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.579 -8.332 -10.548 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.027 -9.850 -9.832 1.00 0.00 H new ATOM 1485 N ALA A 90 11.413 -13.448 -9.264 1.00 0.00 N ATOM 1486 CA ALA A 90 11.538 -13.603 -7.816 1.00 0.00 C ATOM 1487 C ALA A 90 12.506 -12.586 -7.221 1.00 0.00 C ATOM 1488 O ALA A 90 12.201 -11.939 -6.217 1.00 0.00 O ATOM 1489 CB ALA A 90 11.977 -15.019 -7.472 1.00 0.00 C ATOM 0 H ALA A 90 11.683 -14.274 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 90 10.557 -13.419 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.066 -15.120 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.238 -15.729 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.942 -15.224 -7.936 1.00 0.00 H new ATOM 1495 N GLU A 91 13.664 -12.436 -7.852 1.00 0.00 N ATOM 1496 CA GLU A 91 14.674 -11.497 -7.395 1.00 0.00 C ATOM 1497 C GLU A 91 14.142 -10.067 -7.436 1.00 0.00 C ATOM 1498 O GLU A 91 14.246 -9.319 -6.464 1.00 0.00 O ATOM 1499 CB GLU A 91 15.928 -11.599 -8.270 1.00 0.00 C ATOM 1500 CG GLU A 91 16.744 -12.871 -8.074 1.00 0.00 C ATOM 1501 CD GLU A 91 16.067 -14.109 -8.625 1.00 0.00 C ATOM 1502 OE1 GLU A 91 16.165 -14.354 -9.846 1.00 0.00 O ATOM 1503 OE2 GLU A 91 15.427 -14.835 -7.841 1.00 0.00 O ATOM 0 H GLU A 91 13.926 -12.958 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 91 14.928 -11.750 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.630 -11.533 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.567 -10.740 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.714 -12.750 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.934 -13.012 -7.010 1.00 0.00 H new ATOM 1510 N GLN A 92 13.555 -9.713 -8.566 1.00 0.00 N ATOM 1511 CA GLN A 92 13.048 -8.367 -8.785 1.00 0.00 C ATOM 1512 C GLN A 92 11.788 -8.091 -7.967 1.00 0.00 C ATOM 1513 O GLN A 92 11.556 -6.962 -7.537 1.00 0.00 O ATOM 1514 CB GLN A 92 12.795 -8.145 -10.275 1.00 0.00 C ATOM 1515 CG GLN A 92 14.079 -7.939 -11.063 1.00 0.00 C ATOM 1516 CD GLN A 92 13.840 -7.532 -12.503 1.00 0.00 C ATOM 1517 OE1 GLN A 92 12.848 -7.917 -13.114 1.00 0.00 O ATOM 1518 NE2 GLN A 92 14.746 -6.736 -13.051 1.00 0.00 N ATOM 0 H GLN A 92 13.416 -10.345 -9.354 1.00 0.00 H new ATOM 0 HA GLN A 92 13.805 -7.661 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.258 -9.003 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.150 -7.276 -10.405 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.680 -7.174 -10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.660 -8.861 -11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.557 -6.438 -12.509 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.632 -6.421 -14.014 1.00 0.00 H new ATOM 1527 N PHE A 93 10.987 -9.124 -7.746 1.00 0.00 N ATOM 1528 CA PHE A 93 9.764 -8.996 -6.961 1.00 0.00 C ATOM 1529 C PHE A 93 10.100 -8.678 -5.513 1.00 0.00 C ATOM 1530 O PHE A 93 9.474 -7.816 -4.897 1.00 0.00 O ATOM 1531 CB PHE A 93 8.938 -10.284 -7.044 1.00 0.00 C ATOM 1532 CG PHE A 93 7.599 -10.191 -6.375 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.610 -9.366 -6.884 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.322 -10.947 -5.246 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.374 -9.286 -6.274 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.089 -10.871 -4.633 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.111 -10.041 -5.149 1.00 0.00 C ATOM 0 H PHE A 93 11.162 -10.064 -8.100 1.00 0.00 H new ATOM 0 HA PHE A 93 9.172 -8.178 -7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.792 -10.544 -8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.504 -11.097 -6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.808 -8.778 -7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.080 -11.602 -4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.614 -8.633 -6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.887 -11.460 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.143 -9.984 -4.673 1.00 0.00 H new ATOM 1547 N ALA A 94 11.106 -9.364 -4.981 1.00 0.00 N ATOM 1548 CA ALA A 94 11.563 -9.122 -3.617 1.00 0.00 C ATOM 1549 C ALA A 94 12.051 -7.684 -3.459 1.00 0.00 C ATOM 1550 O ALA A 94 11.836 -7.053 -2.422 1.00 0.00 O ATOM 1551 CB ALA A 94 12.666 -10.105 -3.245 1.00 0.00 C ATOM 0 H ALA A 94 11.621 -10.093 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 94 10.722 -9.273 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.997 -9.912 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.285 -11.124 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.507 -9.984 -3.928 1.00 0.00 H new ATOM 1557 N SER A 95 12.693 -7.164 -4.498 1.00 0.00 N ATOM 1558 CA SER A 95 13.168 -5.790 -4.488 1.00 0.00 C ATOM 1559 C SER A 95 11.980 -4.829 -4.546 1.00 0.00 C ATOM 1560 O SER A 95 11.944 -3.826 -3.828 1.00 0.00 O ATOM 1561 CB SER A 95 14.117 -5.549 -5.667 1.00 0.00 C ATOM 1562 OG SER A 95 14.781 -4.303 -5.545 1.00 0.00 O ATOM 0 H SER A 95 12.896 -7.675 -5.357 1.00 0.00 H new ATOM 0 HA SER A 95 13.718 -5.609 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.852 -6.352 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.555 -5.574 -6.601 1.00 0.00 H new ATOM 0 HG SER A 95 15.381 -4.176 -6.309 1.00 0.00 H new ATOM 1568 N LEU A 96 10.997 -5.161 -5.382 1.00 0.00 N ATOM 1569 CA LEU A 96 9.791 -4.353 -5.522 1.00 0.00 C ATOM 1570 C LEU A 96 9.055 -4.257 -4.193 1.00 0.00 C ATOM 1571 O LEU A 96 8.640 -3.175 -3.782 1.00 0.00 O ATOM 1572 CB LEU A 96 8.863 -4.951 -6.582 1.00 0.00 C ATOM 1573 CG LEU A 96 7.569 -4.170 -6.832 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.879 -2.771 -7.340 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.686 -4.917 -7.817 1.00 0.00 C ATOM 0 H LEU A 96 11.015 -5.990 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 96 10.089 -3.353 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.411 -5.025 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.604 -5.967 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 96 7.031 -4.076 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.948 -2.232 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.475 -2.239 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.437 -2.838 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.770 -4.351 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.217 -5.039 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.437 -5.898 -7.411 1.00 0.00 H new ATOM 1587 N VAL A 97 8.905 -5.397 -3.532 1.00 0.00 N ATOM 1588 CA VAL A 97 8.252 -5.450 -2.229 1.00 0.00 C ATOM 1589 C VAL A 97 8.965 -4.545 -1.229 1.00 0.00 C ATOM 1590 O VAL A 97 8.325 -3.824 -0.466 1.00 0.00 O ATOM 1591 CB VAL A 97 8.202 -6.897 -1.683 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.684 -6.930 -0.252 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.337 -7.772 -2.576 1.00 0.00 C ATOM 0 H VAL A 97 9.228 -6.301 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 97 7.230 -5.096 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 97 9.219 -7.289 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.661 -7.960 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.342 -6.341 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.678 -6.512 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.313 -8.786 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.324 -7.370 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.753 -7.788 -3.583 1.00 0.00 H new ATOM 1603 N GLN A 98 10.292 -4.565 -1.256 1.00 0.00 N ATOM 1604 CA GLN A 98 11.083 -3.730 -0.364 1.00 0.00 C ATOM 1605 C GLN A 98 10.870 -2.246 -0.677 1.00 0.00 C ATOM 1606 O GLN A 98 10.741 -1.424 0.231 1.00 0.00 O ATOM 1607 CB GLN A 98 12.566 -4.091 -0.473 1.00 0.00 C ATOM 1608 CG GLN A 98 13.452 -3.335 0.502 1.00 0.00 C ATOM 1609 CD GLN A 98 14.912 -3.740 0.409 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.645 -3.688 1.397 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.350 -4.139 -0.777 1.00 0.00 N ATOM 0 H GLN A 98 10.841 -5.150 -1.886 1.00 0.00 H new ATOM 0 HA GLN A 98 10.753 -3.913 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.684 -5.161 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.906 -3.891 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.364 -2.265 0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.096 -3.508 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.712 -4.169 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.325 -4.416 -0.894 1.00 0.00 H new ATOM 1620 N GLN A 99 10.821 -1.913 -1.964 1.00 0.00 N ATOM 1621 CA GLN A 99 10.580 -0.536 -2.386 1.00 0.00 C ATOM 1622 C GLN A 99 9.183 -0.089 -1.973 1.00 0.00 C ATOM 1623 O GLN A 99 8.990 1.035 -1.509 1.00 0.00 O ATOM 1624 CB GLN A 99 10.736 -0.387 -3.903 1.00 0.00 C ATOM 1625 CG GLN A 99 12.111 -0.767 -4.425 1.00 0.00 C ATOM 1626 CD GLN A 99 13.232 0.020 -3.777 1.00 0.00 C ATOM 1627 OE1 GLN A 99 13.055 1.169 -3.366 1.00 0.00 O ATOM 1628 NE2 GLN A 99 14.399 -0.595 -3.689 1.00 0.00 N ATOM 0 H GLN A 99 10.944 -2.575 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 99 11.322 0.094 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.988 -1.007 -4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.527 0.647 -4.179 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.276 -1.831 -4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.140 -0.609 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.502 -1.546 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.196 -0.118 -3.268 1.00 0.00 H new ATOM 1637 N HIS A 100 8.219 -0.985 -2.147 1.00 0.00 N ATOM 1638 CA HIS A 100 6.834 -0.720 -1.778 1.00 0.00 C ATOM 1639 C HIS A 100 6.722 -0.511 -0.270 1.00 0.00 C ATOM 1640 O HIS A 100 6.065 0.424 0.191 1.00 0.00 O ATOM 1641 CB HIS A 100 5.943 -1.890 -2.222 1.00 0.00 C ATOM 1642 CG HIS A 100 4.470 -1.643 -2.057 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.506 -2.622 -2.164 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.805 -0.490 -1.806 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.311 -2.042 -1.987 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.437 -0.745 -1.766 1.00 0.00 N ATOM 0 H HIS A 100 8.374 -1.911 -2.546 1.00 0.00 H new ATOM 0 HA HIS A 100 6.500 0.188 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.147 -2.110 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.217 -2.777 -1.651 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.264 0.476 -1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.367 -2.566 -2.021 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.689 -0.072 -1.601 1.00 0.00 H new ATOM 1654 N LEU A 101 7.379 -1.386 0.485 1.00 0.00 N ATOM 1655 CA LEU A 101 7.363 -1.328 1.943 1.00 0.00 C ATOM 1656 C LEU A 101 7.903 0.018 2.418 1.00 0.00 C ATOM 1657 O LEU A 101 7.368 0.625 3.349 1.00 0.00 O ATOM 1658 CB LEU A 101 8.203 -2.482 2.505 1.00 0.00 C ATOM 1659 CG LEU A 101 7.772 -3.036 3.870 1.00 0.00 C ATOM 1660 CD1 LEU A 101 8.442 -4.373 4.134 1.00 0.00 C ATOM 1661 CD2 LEU A 101 8.093 -2.061 4.991 1.00 0.00 C ATOM 0 H LEU A 101 7.935 -2.152 0.106 1.00 0.00 H new ATOM 0 HA LEU A 101 6.339 -1.429 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.187 -3.299 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.237 -2.146 2.583 1.00 0.00 H new ATOM 0 HG LEU A 101 6.691 -3.177 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.126 -4.753 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.157 -5.082 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.524 -4.245 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.775 -2.484 5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.167 -1.877 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.568 -1.122 4.818 1.00 0.00 H new ATOM 1673 N GLN A 102 8.950 0.492 1.753 1.00 0.00 N ATOM 1674 CA GLN A 102 9.560 1.757 2.070 1.00 0.00 C ATOM 1675 C GLN A 102 8.607 2.922 1.827 1.00 0.00 C ATOM 1676 O GLN A 102 8.554 3.859 2.625 1.00 0.00 O ATOM 1677 CB GLN A 102 10.814 1.914 1.226 1.00 0.00 C ATOM 1678 CG GLN A 102 12.074 1.403 1.903 1.00 0.00 C ATOM 1679 CD GLN A 102 12.392 2.161 3.178 1.00 0.00 C ATOM 1680 OE1 GLN A 102 12.059 3.339 3.314 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.051 1.499 4.112 1.00 0.00 N ATOM 0 H GLN A 102 9.394 0.000 0.977 1.00 0.00 H new ATOM 0 HA GLN A 102 9.814 1.770 3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.677 1.382 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.946 2.968 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.956 0.344 2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.914 1.488 1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.308 0.524 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.302 1.963 4.985 1.00 0.00 H new ATOM 1690 N ASP A 103 7.857 2.862 0.731 1.00 0.00 N ATOM 1691 CA ASP A 103 6.924 3.934 0.388 1.00 0.00 C ATOM 1692 C ASP A 103 5.811 4.004 1.424 1.00 0.00 C ATOM 1693 O ASP A 103 5.469 5.079 1.915 1.00 0.00 O ATOM 1694 CB ASP A 103 6.313 3.713 -0.999 1.00 0.00 C ATOM 1695 CG ASP A 103 6.027 5.015 -1.729 1.00 0.00 C ATOM 1696 OD1 ASP A 103 4.994 5.653 -1.449 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.838 5.393 -2.599 1.00 0.00 O ATOM 0 H ASP A 103 7.875 2.088 0.067 1.00 0.00 H new ATOM 0 HA ASP A 103 7.479 4.872 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.993 3.107 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.387 3.147 -0.897 1.00 0.00 H new ATOM 1702 N GLU A 104 5.269 2.843 1.776 1.00 0.00 N ATOM 1703 CA GLU A 104 4.199 2.766 2.765 1.00 0.00 C ATOM 1704 C GLU A 104 4.687 3.255 4.122 1.00 0.00 C ATOM 1705 O GLU A 104 3.930 3.849 4.890 1.00 0.00 O ATOM 1706 CB GLU A 104 3.678 1.333 2.886 1.00 0.00 C ATOM 1707 CG GLU A 104 3.175 0.746 1.577 1.00 0.00 C ATOM 1708 CD GLU A 104 2.076 1.566 0.932 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.473 2.428 1.613 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.804 1.355 -0.268 1.00 0.00 O ATOM 0 H GLU A 104 5.553 1.942 1.391 1.00 0.00 H new ATOM 0 HA GLU A 104 3.385 3.409 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.475 0.699 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.869 1.312 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.010 0.660 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.806 -0.264 1.758 1.00 0.00 H new ATOM 1717 N GLN A 105 5.961 3.008 4.404 1.00 0.00 N ATOM 1718 CA GLN A 105 6.584 3.477 5.635 1.00 0.00 C ATOM 1719 C GLN A 105 6.537 5.001 5.700 1.00 0.00 C ATOM 1720 O GLN A 105 6.334 5.581 6.767 1.00 0.00 O ATOM 1721 CB GLN A 105 8.033 2.986 5.715 1.00 0.00 C ATOM 1722 CG GLN A 105 8.751 3.387 6.995 1.00 0.00 C ATOM 1723 CD GLN A 105 10.190 2.914 7.025 1.00 0.00 C ATOM 1724 OE1 GLN A 105 10.484 1.814 7.487 1.00 0.00 O ATOM 1725 NE2 GLN A 105 11.097 3.743 6.536 1.00 0.00 N ATOM 0 H GLN A 105 6.585 2.482 3.792 1.00 0.00 H new ATOM 0 HA GLN A 105 6.032 3.074 6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.043 1.899 5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.587 3.378 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.726 4.472 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.218 2.974 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.812 4.648 6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 105 12.082 3.478 6.533 1.00 0.00 H new ATOM 1734 N ARG A 106 6.692 5.640 4.543 1.00 0.00 N ATOM 1735 CA ARG A 106 6.654 7.094 4.450 1.00 0.00 C ATOM 1736 C ARG A 106 5.232 7.593 4.663 1.00 0.00 C ATOM 1737 O ARG A 106 5.017 8.652 5.245 1.00 0.00 O ATOM 1738 CB ARG A 106 7.169 7.560 3.085 1.00 0.00 C ATOM 1739 CG ARG A 106 8.478 6.906 2.670 1.00 0.00 C ATOM 1740 CD ARG A 106 9.592 7.173 3.673 1.00 0.00 C ATOM 1741 NE ARG A 106 10.753 6.315 3.435 1.00 0.00 N ATOM 1742 CZ ARG A 106 12.015 6.735 3.475 1.00 0.00 C ATOM 1743 NH1 ARG A 106 12.291 8.019 3.670 1.00 0.00 N ATOM 1744 NH2 ARG A 106 13.007 5.872 3.295 1.00 0.00 N ATOM 0 H ARG A 106 6.846 5.168 3.652 1.00 0.00 H new ATOM 0 HA ARG A 106 7.299 7.506 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.412 7.349 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.304 8.641 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.330 5.831 2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.775 7.279 1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.894 8.219 3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.219 7.008 4.684 1.00 0.00 H new ATOM 0 HE ARG A 106 10.584 5.331 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.533 8.691 3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.261 8.333 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.802 4.887 3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.975 6.194 3.326 1.00 0.00 H new ATOM 1758 N HIS A 107 4.266 6.815 4.191 1.00 0.00 N ATOM 1759 CA HIS A 107 2.858 7.148 4.382 1.00 0.00 C ATOM 1760 C HIS A 107 2.524 7.119 5.867 1.00 0.00 C ATOM 1761 O HIS A 107 1.870 8.025 6.386 1.00 0.00 O ATOM 1762 CB HIS A 107 1.949 6.170 3.621 1.00 0.00 C ATOM 1763 CG HIS A 107 2.186 6.134 2.141 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.612 5.175 1.337 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.951 6.951 1.382 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.050 5.437 0.112 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.866 6.500 0.091 1.00 0.00 N ATOM 0 H HIS A 107 4.430 5.951 3.674 1.00 0.00 H new ATOM 0 HA HIS A 107 2.684 8.149 3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.094 5.168 4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.909 6.441 3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.522 7.800 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.781 4.863 -0.762 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.332 6.896 -0.726 1.00 0.00 H new ATOM 1775 N VAL A 108 2.993 6.076 6.550 1.00 0.00 N ATOM 1776 CA VAL A 108 2.832 5.969 7.995 1.00 0.00 C ATOM 1777 C VAL A 108 3.563 7.112 8.692 1.00 0.00 C ATOM 1778 O VAL A 108 3.058 7.692 9.653 1.00 0.00 O ATOM 1779 CB VAL A 108 3.354 4.613 8.526 1.00 0.00 C ATOM 1780 CG1 VAL A 108 3.200 4.522 10.037 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.631 3.459 7.847 1.00 0.00 C ATOM 0 H VAL A 108 3.488 5.293 6.123 1.00 0.00 H new ATOM 0 HA VAL A 108 1.766 6.031 8.215 1.00 0.00 H new ATOM 0 HB VAL A 108 4.416 4.545 8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.575 3.559 10.384 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.768 5.324 10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.147 4.618 10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.012 2.513 8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.562 3.530 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.801 3.506 6.771 1.00 0.00 H new ATOM 1791 N GLU A 109 4.744 7.448 8.178 1.00 0.00 N ATOM 1792 CA GLU A 109 5.522 8.569 8.686 1.00 0.00 C ATOM 1793 C GLU A 109 4.705 9.851 8.631 1.00 0.00 C ATOM 1794 O GLU A 109 4.638 10.605 9.602 1.00 0.00 O ATOM 1795 CB GLU A 109 6.788 8.741 7.845 1.00 0.00 C ATOM 1796 CG GLU A 109 7.978 7.936 8.328 1.00 0.00 C ATOM 1797 CD GLU A 109 8.524 8.462 9.637 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.898 9.655 9.686 1.00 0.00 O ATOM 1799 OE2 GLU A 109 8.601 7.683 10.608 1.00 0.00 O ATOM 0 H GLU A 109 5.184 6.953 7.403 1.00 0.00 H new ATOM 0 HA GLU A 109 5.792 8.364 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.567 8.457 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.060 9.796 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.685 6.893 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.763 7.960 7.572 1.00 0.00 H new ATOM 1806 N GLU A 110 4.065 10.073 7.493 1.00 0.00 N ATOM 1807 CA GLU A 110 3.268 11.256 7.275 1.00 0.00 C ATOM 1808 C GLU A 110 2.103 11.339 8.257 1.00 0.00 C ATOM 1809 O GLU A 110 1.848 12.397 8.825 1.00 0.00 O ATOM 1810 CB GLU A 110 2.765 11.263 5.834 1.00 0.00 C ATOM 1811 CG GLU A 110 3.834 11.644 4.825 1.00 0.00 C ATOM 1812 CD GLU A 110 4.414 13.015 5.097 1.00 0.00 C ATOM 1813 OE1 GLU A 110 3.840 14.014 4.609 1.00 0.00 O ATOM 1814 OE2 GLU A 110 5.424 13.104 5.824 1.00 0.00 O ATOM 0 H GLU A 110 4.088 9.434 6.698 1.00 0.00 H new ATOM 0 HA GLU A 110 3.891 12.133 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.378 10.274 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.932 11.961 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.633 10.903 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.408 11.624 3.822 1.00 0.00 H new ATOM 1821 N ILE A 111 1.421 10.218 8.464 1.00 0.00 N ATOM 1822 CA ILE A 111 0.245 10.171 9.333 1.00 0.00 C ATOM 1823 C ILE A 111 0.621 10.287 10.814 1.00 0.00 C ATOM 1824 O ILE A 111 -0.101 10.900 11.603 1.00 0.00 O ATOM 1825 CB ILE A 111 -0.559 8.869 9.104 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -0.997 8.771 7.639 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -1.772 8.815 10.027 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.725 7.487 7.302 1.00 0.00 C ATOM 0 H ILE A 111 1.663 9.322 8.040 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.374 11.029 9.071 1.00 0.00 H new ATOM 0 HB ILE A 111 0.084 8.020 9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.644 9.616 7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.118 8.857 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.323 7.892 9.850 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.441 8.846 11.065 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.420 9.668 9.827 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.003 7.492 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.074 6.636 7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.624 7.407 7.913 1.00 0.00 H new ATOM 1840 N GLU A 112 1.742 9.688 11.194 1.00 0.00 N ATOM 1841 CA GLU A 112 2.159 9.663 12.585 1.00 0.00 C ATOM 1842 C GLU A 112 2.562 11.039 13.117 1.00 0.00 C ATOM 1843 O GLU A 112 2.088 11.457 14.173 1.00 0.00 O ATOM 1844 CB GLU A 112 3.312 8.678 12.762 1.00 0.00 C ATOM 1845 CG GLU A 112 2.856 7.242 12.966 1.00 0.00 C ATOM 1846 CD GLU A 112 1.989 7.077 14.199 1.00 0.00 C ATOM 1847 OE1 GLU A 112 2.400 7.536 15.288 1.00 0.00 O ATOM 1848 OE2 GLU A 112 0.900 6.478 14.092 1.00 0.00 O ATOM 0 H GLU A 112 2.379 9.212 10.555 1.00 0.00 H new ATOM 0 HA GLU A 112 1.296 9.342 13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.958 8.725 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.914 8.985 13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.300 6.913 12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.729 6.596 13.051 1.00 0.00 H new ATOM 1855 N LYS A 113 3.413 11.755 12.393 1.00 0.00 N ATOM 1856 CA LYS A 113 4.003 12.980 12.936 1.00 0.00 C ATOM 1857 C LYS A 113 3.169 14.222 12.634 1.00 0.00 C ATOM 1858 O LYS A 113 3.440 15.303 13.162 1.00 0.00 O ATOM 1859 CB LYS A 113 5.445 13.143 12.442 1.00 0.00 C ATOM 1860 CG LYS A 113 5.598 13.136 10.931 1.00 0.00 C ATOM 1861 CD LYS A 113 7.021 12.789 10.523 1.00 0.00 C ATOM 1862 CE LYS A 113 7.165 12.687 9.013 1.00 0.00 C ATOM 1863 NZ LYS A 113 8.467 12.083 8.624 1.00 0.00 N ATOM 0 H LYS A 113 3.708 11.518 11.446 1.00 0.00 H new ATOM 0 HA LYS A 113 4.014 12.878 14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.845 14.079 12.831 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.052 12.340 12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 113 4.906 12.414 10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.331 14.114 10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.704 13.549 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 113 7.310 11.843 10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.350 12.086 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.078 13.680 8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.415 11.750 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.220 12.796 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.678 11.280 9.250 1.00 0.00 H new ATOM 1877 N LYS A 114 2.155 14.055 11.801 1.00 0.00 N ATOM 1878 CA LYS A 114 1.217 15.133 11.463 1.00 0.00 C ATOM 1879 C LYS A 114 0.182 14.609 10.473 1.00 0.00 C ATOM 1880 O LYS A 114 -0.043 13.407 10.401 1.00 0.00 O ATOM 1881 CB LYS A 114 1.948 16.377 10.897 1.00 0.00 C ATOM 1882 CG LYS A 114 2.384 16.296 9.434 1.00 0.00 C ATOM 1883 CD LYS A 114 3.400 15.198 9.181 1.00 0.00 C ATOM 1884 CE LYS A 114 3.830 15.170 7.723 1.00 0.00 C ATOM 1885 NZ LYS A 114 2.665 15.064 6.799 1.00 0.00 N ATOM 0 H LYS A 114 1.952 13.170 11.335 1.00 0.00 H new ATOM 0 HA LYS A 114 0.714 15.453 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.293 17.241 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.831 16.563 11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.508 16.125 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.809 17.254 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.272 15.352 9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 114 2.972 14.234 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.393 16.075 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.501 14.327 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.004 14.895 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.057 14.274 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 2.120 15.949 6.825 1.00 0.00 H new ATOM 1899 N ASN A 115 -0.480 15.494 9.755 1.00 0.00 N ATOM 1900 CA ASN A 115 -1.383 15.083 8.693 1.00 0.00 C ATOM 1901 C ASN A 115 -1.287 16.055 7.529 1.00 0.00 C ATOM 1902 O ASN A 115 -2.186 16.895 7.374 1.00 0.00 O ATOM 1903 CB ASN A 115 -2.827 14.955 9.206 1.00 0.00 C ATOM 1904 CG ASN A 115 -3.258 16.097 10.111 1.00 0.00 C ATOM 1905 OD1 ASN A 115 -3.810 17.100 9.663 1.00 0.00 O ATOM 1906 ND2 ASN A 115 -3.026 15.942 11.406 1.00 0.00 N ATOM 1907 OXT ASN A 115 -0.276 15.991 6.801 1.00 0.00 O ATOM 0 H ASN A 115 -0.411 16.503 9.886 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.084 14.095 8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.503 14.905 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.928 14.015 9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.308 16.668 12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.566 15.097 11.744 1.00 0.00 H new TER 1914 ASN A 115 HETATM 1915 ZN ZN A 300 1.109 1.282 -1.717 1.00 0.00 ZN HETATM 1916 ZN ZN A 400 0.250 3.460 1.710 1.00 0.00 ZN