USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=20 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 100 HIS HE2 : A 100 HIS NE2 : 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 37 ASN : amide:sc= 0.287 K(o=1.5,f=0.8) USER MOD Set 1.2: A 38 GLN : amide:sc= 0.0384 K(o=1.5,f=0.8) USER MOD Set 1.3: A 85 SER OG : rot 68:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.23 (180deg=0.918) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -0.0103 (180deg=-0.197) USER MOD Single : A 12 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.78) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 0.961 (180deg=0.634) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.19) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 1.12 (180deg=0.458) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.092) USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= 0.38 (180deg=-0.669!) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc=-0.00243 (180deg=-0.117) USER MOD Single : A 46 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.75) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 150:sc= -0.319 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.404) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= 0.216 (180deg=-0.563!) USER MOD Single : A 60 ASN : amide:sc= -4.61! C(o=-4.6!,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= -0.877! (180deg=-1.59!) USER MOD Single : A 65 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.45) USER MOD Single : A 69 LYS NZ :NH3+ 134:sc= 1.22 (180deg=0.858) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 2.38 (180deg=2.06) USER MOD Single : A 81 HIS : no HE2:sc= 0.275 K(o=0.28,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= 1.13 (180deg=1.02) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0879) USER MOD Single : A 87 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 89 ASN : amide:sc= 0.0776 K(o=0.078,f=-9.2!) USER MOD Single : A 92 GLN : amide:sc= -0.0914 K(o=-0.091,f=-0.71) USER MOD Single : A 95 SER OG : rot 81:sc= 1.16 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 102 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.31) USER MOD Single : A 105 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.5!) USER MOD Single : A 113 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.653) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.874) USER MOD Single : A 115 ASN : amide:sc= -0.0603 X(o=-0.06,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.625 6.321 7.145 1.00 0.00 N ATOM 2 CA MET A 1 -15.638 6.717 8.154 1.00 0.00 C ATOM 3 C MET A 1 -14.960 7.401 9.337 1.00 0.00 C ATOM 4 O MET A 1 -15.170 8.587 9.577 1.00 0.00 O ATOM 5 CB MET A 1 -16.433 5.494 8.627 1.00 0.00 C ATOM 6 CG MET A 1 -17.246 4.834 7.520 1.00 0.00 C ATOM 7 SD MET A 1 -18.194 3.412 8.099 1.00 0.00 S ATOM 8 CE MET A 1 -19.022 2.921 6.585 1.00 0.00 C ATOM 0 H1 MET A 1 -15.103 6.045 6.263 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.989 7.123 6.958 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.072 5.517 7.505 1.00 0.00 H new ATOM 0 HA MET A 1 -16.332 7.420 7.693 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.743 4.762 9.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.105 5.796 9.430 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.927 5.568 7.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.574 4.516 6.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.649 2.051 6.779 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.642 3.743 6.227 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.278 2.671 5.828 1.00 0.00 H new ATOM 20 N ASP A 2 -14.141 6.650 10.062 1.00 0.00 N ATOM 21 CA ASP A 2 -13.318 7.218 11.125 1.00 0.00 C ATOM 22 C ASP A 2 -12.073 7.824 10.494 1.00 0.00 C ATOM 23 O ASP A 2 -11.471 8.760 11.025 1.00 0.00 O ATOM 24 CB ASP A 2 -12.929 6.139 12.137 1.00 0.00 C ATOM 25 CG ASP A 2 -12.238 6.700 13.363 1.00 0.00 C ATOM 26 OD1 ASP A 2 -10.994 6.853 13.341 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.933 6.985 14.362 1.00 0.00 O ATOM 0 H ASP A 2 -14.028 5.644 9.934 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.879 7.987 11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.824 5.599 12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.271 5.416 11.655 1.00 0.00 H new ATOM 32 N GLU A 3 -11.707 7.245 9.349 1.00 0.00 N ATOM 33 CA GLU A 3 -10.635 7.743 8.490 1.00 0.00 C ATOM 34 C GLU A 3 -9.255 7.461 9.067 1.00 0.00 C ATOM 35 O GLU A 3 -8.586 6.531 8.635 1.00 0.00 O ATOM 36 CB GLU A 3 -10.804 9.236 8.202 1.00 0.00 C ATOM 37 CG GLU A 3 -9.762 9.780 7.246 1.00 0.00 C ATOM 38 CD GLU A 3 -9.946 11.251 6.955 1.00 0.00 C ATOM 39 OE1 GLU A 3 -10.725 11.586 6.040 1.00 0.00 O ATOM 40 OE2 GLU A 3 -9.301 12.084 7.628 1.00 0.00 O ATOM 0 H GLU A 3 -12.156 6.403 8.988 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.711 7.199 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.796 9.409 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.751 9.789 9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.770 9.619 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.806 9.221 6.311 1.00 0.00 H new ATOM 47 N LEU A 4 -8.849 8.243 10.056 1.00 0.00 N ATOM 48 CA LEU A 4 -7.478 8.206 10.558 1.00 0.00 C ATOM 49 C LEU A 4 -7.050 6.800 10.974 1.00 0.00 C ATOM 50 O LEU A 4 -6.034 6.287 10.502 1.00 0.00 O ATOM 51 CB LEU A 4 -7.316 9.165 11.737 1.00 0.00 C ATOM 52 CG LEU A 4 -7.531 10.646 11.410 1.00 0.00 C ATOM 53 CD1 LEU A 4 -7.362 11.498 12.661 1.00 0.00 C ATOM 54 CD2 LEU A 4 -6.566 11.099 10.324 1.00 0.00 C ATOM 0 H LEU A 4 -9.451 8.915 10.531 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.831 8.519 9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.019 8.876 12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.314 9.042 12.149 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.549 10.772 11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.518 12.547 12.410 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.091 11.192 13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.356 11.366 13.058 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.734 12.154 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.541 10.958 10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.731 10.510 9.422 1.00 0.00 H new ATOM 66 N ARG A 5 -7.825 6.174 11.848 1.00 0.00 N ATOM 67 CA ARG A 5 -7.471 4.861 12.367 1.00 0.00 C ATOM 68 C ARG A 5 -7.658 3.781 11.304 1.00 0.00 C ATOM 69 O ARG A 5 -6.902 2.811 11.253 1.00 0.00 O ATOM 70 CB ARG A 5 -8.308 4.547 13.609 1.00 0.00 C ATOM 71 CG ARG A 5 -7.490 4.019 14.780 1.00 0.00 C ATOM 72 CD ARG A 5 -6.973 2.609 14.534 1.00 0.00 C ATOM 73 NE ARG A 5 -6.063 2.178 15.594 1.00 0.00 N ATOM 74 CZ ARG A 5 -6.286 1.140 16.404 1.00 0.00 C ATOM 75 NH1 ARG A 5 -7.398 0.419 16.285 1.00 0.00 N ATOM 76 NH2 ARG A 5 -5.394 0.832 17.339 1.00 0.00 N ATOM 0 H ARG A 5 -8.700 6.552 12.211 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.417 4.873 12.645 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.832 5.450 13.921 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.069 3.811 13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.647 4.686 14.962 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.103 4.027 15.681 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.814 1.918 14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.458 2.572 13.574 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.200 2.706 15.724 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.087 0.658 15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.562 -0.373 16.907 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.544 1.387 17.436 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.559 0.040 17.960 1.00 0.00 H new ATOM 90 N GLU A 6 -8.655 3.967 10.448 1.00 0.00 N ATOM 91 CA GLU A 6 -8.944 3.013 9.385 1.00 0.00 C ATOM 92 C GLU A 6 -7.843 3.044 8.328 1.00 0.00 C ATOM 93 O GLU A 6 -7.378 2.003 7.864 1.00 0.00 O ATOM 94 CB GLU A 6 -10.291 3.337 8.732 1.00 0.00 C ATOM 95 CG GLU A 6 -11.448 3.420 9.715 1.00 0.00 C ATOM 96 CD GLU A 6 -12.765 3.744 9.039 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.897 4.856 8.482 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.681 2.901 9.080 1.00 0.00 O ATOM 0 H GLU A 6 -9.279 4.773 10.470 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.989 2.016 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.208 4.286 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.515 2.574 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.539 2.471 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.230 4.183 10.463 1.00 0.00 H new ATOM 105 N LEU A 7 -7.421 4.251 7.980 1.00 0.00 N ATOM 106 CA LEU A 7 -6.419 4.460 6.942 1.00 0.00 C ATOM 107 C LEU A 7 -5.065 3.921 7.382 1.00 0.00 C ATOM 108 O LEU A 7 -4.379 3.237 6.621 1.00 0.00 O ATOM 109 CB LEU A 7 -6.307 5.953 6.625 1.00 0.00 C ATOM 110 CG LEU A 7 -5.540 6.293 5.353 1.00 0.00 C ATOM 111 CD1 LEU A 7 -6.264 5.721 4.146 1.00 0.00 C ATOM 112 CD2 LEU A 7 -5.373 7.801 5.226 1.00 0.00 C ATOM 0 H LEU A 7 -7.762 5.112 8.407 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.729 3.921 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.312 6.367 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.823 6.451 7.465 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.547 5.847 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.711 5.967 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.336 4.638 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.266 6.147 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.823 8.031 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.354 8.274 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.821 8.180 6.087 1.00 0.00 H new ATOM 124 N LEU A 8 -4.697 4.224 8.619 1.00 0.00 N ATOM 125 CA LEU A 8 -3.415 3.799 9.161 1.00 0.00 C ATOM 126 C LEU A 8 -3.332 2.281 9.201 1.00 0.00 C ATOM 127 O LEU A 8 -2.343 1.691 8.770 1.00 0.00 O ATOM 128 CB LEU A 8 -3.228 4.365 10.566 1.00 0.00 C ATOM 129 CG LEU A 8 -1.828 4.187 11.151 1.00 0.00 C ATOM 130 CD1 LEU A 8 -0.800 4.927 10.311 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.787 4.665 12.593 1.00 0.00 C ATOM 0 H LEU A 8 -5.270 4.764 9.267 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.623 4.176 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.466 5.429 10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.947 3.889 11.232 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.582 3.125 11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.191 4.788 10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.810 4.534 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.042 5.990 10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.782 4.530 12.993 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.055 5.721 12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.494 4.087 13.188 1.00 0.00 H new ATOM 143 N LYS A 9 -4.389 1.660 9.710 1.00 0.00 N ATOM 144 CA LYS A 9 -4.456 0.208 9.822 1.00 0.00 C ATOM 145 C LYS A 9 -4.334 -0.457 8.452 1.00 0.00 C ATOM 146 O LYS A 9 -3.719 -1.513 8.324 1.00 0.00 O ATOM 147 CB LYS A 9 -5.767 -0.207 10.498 1.00 0.00 C ATOM 148 CG LYS A 9 -5.896 -1.703 10.723 1.00 0.00 C ATOM 149 CD LYS A 9 -7.230 -2.052 11.362 1.00 0.00 C ATOM 150 CE LYS A 9 -7.358 -3.544 11.620 1.00 0.00 C ATOM 151 NZ LYS A 9 -7.277 -4.336 10.365 1.00 0.00 N ATOM 0 H LYS A 9 -5.218 2.144 10.054 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.618 -0.125 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.847 0.303 11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.603 0.132 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.798 -2.226 9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.083 -2.048 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.336 -1.510 12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.041 -1.724 10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.569 -3.863 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.308 -3.746 12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.552 -5.320 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.919 -3.929 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.302 -4.314 10.003 1.00 0.00 H new ATOM 165 N ALA A 10 -4.910 0.170 7.430 1.00 0.00 N ATOM 166 CA ALA A 10 -4.857 -0.370 6.077 1.00 0.00 C ATOM 167 C ALA A 10 -3.425 -0.366 5.545 1.00 0.00 C ATOM 168 O ALA A 10 -2.949 -1.363 4.998 1.00 0.00 O ATOM 169 CB ALA A 10 -5.770 0.425 5.156 1.00 0.00 C ATOM 0 H ALA A 10 -5.418 1.051 7.514 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.204 -1.403 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.721 0.011 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.795 0.368 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.449 1.467 5.136 1.00 0.00 H new ATOM 175 N GLU A 11 -2.736 0.753 5.735 1.00 0.00 N ATOM 176 CA GLU A 11 -1.348 0.883 5.299 1.00 0.00 C ATOM 177 C GLU A 11 -0.442 -0.050 6.095 1.00 0.00 C ATOM 178 O GLU A 11 0.479 -0.656 5.547 1.00 0.00 O ATOM 179 CB GLU A 11 -0.883 2.333 5.446 1.00 0.00 C ATOM 180 CG GLU A 11 -1.493 3.276 4.422 1.00 0.00 C ATOM 181 CD GLU A 11 -0.864 3.132 3.048 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.073 2.127 2.371 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.120 4.027 2.618 1.00 0.00 O ATOM 0 H GLU A 11 -3.115 1.585 6.188 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.288 0.600 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.133 2.686 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.203 2.368 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.564 3.084 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.376 4.304 4.765 1.00 0.00 H new ATOM 190 N GLN A 12 -0.710 -0.165 7.388 1.00 0.00 N ATOM 191 CA GLN A 12 0.064 -1.049 8.253 1.00 0.00 C ATOM 192 C GLN A 12 -0.192 -2.514 7.910 1.00 0.00 C ATOM 193 O GLN A 12 0.697 -3.360 8.046 1.00 0.00 O ATOM 194 CB GLN A 12 -0.266 -0.791 9.722 1.00 0.00 C ATOM 195 CG GLN A 12 0.173 0.580 10.210 1.00 0.00 C ATOM 196 CD GLN A 12 -0.185 0.822 11.663 1.00 0.00 C ATOM 197 OE1 GLN A 12 -1.175 0.295 12.167 1.00 0.00 O ATOM 198 NE2 GLN A 12 0.614 1.633 12.343 1.00 0.00 N ATOM 0 H GLN A 12 -1.457 0.342 7.863 1.00 0.00 H new ATOM 0 HA GLN A 12 1.120 -0.835 8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.341 -0.893 9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.212 -1.556 10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.251 0.679 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.292 1.348 9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.426 2.050 11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.417 1.840 13.322 1.00 0.00 H new ATOM 207 N GLN A 13 -1.409 -2.810 7.471 1.00 0.00 N ATOM 208 CA GLN A 13 -1.756 -4.158 7.052 1.00 0.00 C ATOM 209 C GLN A 13 -1.016 -4.507 5.774 1.00 0.00 C ATOM 210 O GLN A 13 -0.520 -5.622 5.614 1.00 0.00 O ATOM 211 CB GLN A 13 -3.260 -4.294 6.836 1.00 0.00 C ATOM 212 CG GLN A 13 -3.698 -5.727 6.588 1.00 0.00 C ATOM 213 CD GLN A 13 -5.196 -5.866 6.437 1.00 0.00 C ATOM 214 OE1 GLN A 13 -5.877 -4.956 5.969 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.722 -7.011 6.838 1.00 0.00 N ATOM 0 H GLN A 13 -2.170 -2.135 7.397 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.461 -4.849 7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.783 -3.906 7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.557 -3.677 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.211 -6.100 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.361 -6.353 7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.122 -7.742 7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.728 -7.164 6.764 1.00 0.00 H new ATOM 224 N GLY A 14 -0.942 -3.539 4.869 1.00 0.00 N ATOM 225 CA GLY A 14 -0.156 -3.708 3.662 1.00 0.00 C ATOM 226 C GLY A 14 1.297 -3.987 3.982 1.00 0.00 C ATOM 227 O GLY A 14 1.925 -4.836 3.351 1.00 0.00 O ATOM 0 H GLY A 14 -1.413 -2.638 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.564 -4.529 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.229 -2.809 3.050 1.00 0.00 H new ATOM 231 N ILE A 15 1.822 -3.283 4.983 1.00 0.00 N ATOM 232 CA ILE A 15 3.175 -3.525 5.471 1.00 0.00 C ATOM 233 C ILE A 15 3.318 -4.968 5.952 1.00 0.00 C ATOM 234 O ILE A 15 4.296 -5.642 5.628 1.00 0.00 O ATOM 235 CB ILE A 15 3.549 -2.554 6.616 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.599 -1.117 6.093 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.883 -2.940 7.246 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.938 -0.092 7.151 1.00 0.00 C ATOM 0 H ILE A 15 1.327 -2.538 5.473 1.00 0.00 H new ATOM 0 HA ILE A 15 3.858 -3.351 4.640 1.00 0.00 H new ATOM 0 HB ILE A 15 2.781 -2.621 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.337 -1.057 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.633 -0.866 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.122 -2.242 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.815 -3.949 7.652 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.666 -2.905 6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.954 0.902 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.187 -0.122 7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.918 -0.316 7.574 1.00 0.00 H new ATOM 250 N LYS A 16 2.332 -5.440 6.714 1.00 0.00 N ATOM 251 CA LYS A 16 2.323 -6.817 7.198 1.00 0.00 C ATOM 252 C LYS A 16 2.355 -7.778 6.018 1.00 0.00 C ATOM 253 O LYS A 16 3.116 -8.747 6.010 1.00 0.00 O ATOM 254 CB LYS A 16 1.078 -7.074 8.060 1.00 0.00 C ATOM 255 CG LYS A 16 1.168 -8.313 8.948 1.00 0.00 C ATOM 256 CD LYS A 16 0.888 -9.602 8.181 1.00 0.00 C ATOM 257 CE LYS A 16 1.023 -10.823 9.081 1.00 0.00 C ATOM 258 NZ LYS A 16 0.697 -12.092 8.370 1.00 0.00 N ATOM 0 H LYS A 16 1.528 -4.886 7.009 1.00 0.00 H new ATOM 0 HA LYS A 16 3.207 -6.980 7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.902 -6.203 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.212 -7.174 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.162 -8.367 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.457 -8.220 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.117 -9.567 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.580 -9.687 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.041 -10.877 9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.363 -10.712 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.438 -12.822 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.101 -11.932 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.526 -12.408 7.827 1.00 0.00 H new ATOM 272 N ILE A 17 1.527 -7.491 5.020 1.00 0.00 N ATOM 273 CA ILE A 17 1.476 -8.292 3.800 1.00 0.00 C ATOM 274 C ILE A 17 2.829 -8.280 3.083 1.00 0.00 C ATOM 275 O ILE A 17 3.323 -9.322 2.661 1.00 0.00 O ATOM 276 CB ILE A 17 0.368 -7.790 2.844 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.001 -7.947 3.509 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.411 -8.542 1.518 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.148 -7.437 2.666 1.00 0.00 C ATOM 0 H ILE A 17 0.877 -6.705 5.031 1.00 0.00 H new ATOM 0 HA ILE A 17 1.241 -9.316 4.091 1.00 0.00 H new ATOM 0 HB ILE A 17 0.541 -6.734 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.167 -9.001 3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.996 -7.415 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.378 -8.171 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.380 -8.387 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.262 -9.607 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.086 -7.581 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.006 -6.376 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.180 -7.986 1.725 1.00 0.00 H new ATOM 291 N LEU A 18 3.432 -7.105 2.970 1.00 0.00 N ATOM 292 CA LEU A 18 4.744 -6.971 2.347 1.00 0.00 C ATOM 293 C LEU A 18 5.811 -7.729 3.143 1.00 0.00 C ATOM 294 O LEU A 18 6.700 -8.355 2.565 1.00 0.00 O ATOM 295 CB LEU A 18 5.112 -5.491 2.213 1.00 0.00 C ATOM 296 CG LEU A 18 4.225 -4.697 1.250 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.583 -3.223 1.289 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.352 -5.244 -0.167 1.00 0.00 C ATOM 0 H LEU A 18 3.033 -6.227 3.302 1.00 0.00 H new ATOM 0 HA LEU A 18 4.701 -7.412 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.062 -5.027 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.147 -5.417 1.878 1.00 0.00 H new ATOM 0 HG LEU A 18 3.188 -4.806 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.942 -2.675 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.439 -2.840 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.625 -3.094 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.715 -4.668 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.388 -5.167 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.044 -6.289 -0.182 1.00 0.00 H new ATOM 310 N LYS A 19 5.705 -7.680 4.466 1.00 0.00 N ATOM 311 CA LYS A 19 6.579 -8.436 5.338 1.00 0.00 C ATOM 312 C LYS A 19 6.397 -9.934 5.108 1.00 0.00 C ATOM 313 O LYS A 19 7.362 -10.703 5.131 1.00 0.00 O ATOM 314 CB LYS A 19 6.260 -8.087 6.781 1.00 0.00 C ATOM 315 CG LYS A 19 6.717 -6.700 7.198 1.00 0.00 C ATOM 316 CD LYS A 19 8.131 -6.697 7.765 1.00 0.00 C ATOM 317 CE LYS A 19 9.188 -6.825 6.682 1.00 0.00 C ATOM 318 NZ LYS A 19 10.563 -6.822 7.251 1.00 0.00 N ATOM 0 H LYS A 19 5.012 -7.116 4.957 1.00 0.00 H new ATOM 0 HA LYS A 19 7.616 -8.181 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.183 -8.164 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.728 -8.824 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.673 -6.033 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.029 -6.304 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.295 -5.774 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.238 -7.519 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.027 -7.747 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.085 -6.002 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.257 -6.911 6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.725 -5.931 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.669 -7.622 7.907 1.00 0.00 H new ATOM 332 N GLU A 20 5.148 -10.330 4.888 1.00 0.00 N ATOM 333 CA GLU A 20 4.782 -11.692 4.641 1.00 0.00 C ATOM 334 C GLU A 20 5.382 -12.180 3.329 1.00 0.00 C ATOM 335 O GLU A 20 5.953 -13.265 3.257 1.00 0.00 O ATOM 336 CB GLU A 20 3.269 -11.724 4.578 1.00 0.00 C ATOM 337 CG GLU A 20 2.686 -13.095 4.515 1.00 0.00 C ATOM 338 CD GLU A 20 2.889 -13.877 5.793 1.00 0.00 C ATOM 339 OE1 GLU A 20 2.033 -13.778 6.697 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.899 -14.598 5.902 1.00 0.00 O ATOM 0 H GLU A 20 4.356 -9.688 4.879 1.00 0.00 H new ATOM 0 HA GLU A 20 5.158 -12.348 5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.870 -11.212 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.942 -11.162 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.619 -13.022 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.138 -13.639 3.686 1.00 0.00 H new ATOM 347 N VAL A 21 5.243 -11.359 2.295 1.00 0.00 N ATOM 348 CA VAL A 21 5.795 -11.676 0.981 1.00 0.00 C ATOM 349 C VAL A 21 7.311 -11.805 1.044 1.00 0.00 C ATOM 350 O VAL A 21 7.886 -12.690 0.416 1.00 0.00 O ATOM 351 CB VAL A 21 5.418 -10.609 -0.074 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.979 -10.973 -1.444 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.911 -10.430 -0.148 1.00 0.00 C ATOM 0 H VAL A 21 4.752 -10.466 2.340 1.00 0.00 H new ATOM 0 HA VAL A 21 5.361 -12.630 0.680 1.00 0.00 H new ATOM 0 HB VAL A 21 5.862 -9.663 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.699 -10.207 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.066 -11.039 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.574 -11.934 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.671 -9.675 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.445 -11.376 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.534 -10.110 0.824 1.00 0.00 H new ATOM 363 N LEU A 22 7.956 -10.931 1.805 1.00 0.00 N ATOM 364 CA LEU A 22 9.403 -11.000 1.984 1.00 0.00 C ATOM 365 C LEU A 22 9.790 -12.313 2.661 1.00 0.00 C ATOM 366 O LEU A 22 10.778 -12.948 2.295 1.00 0.00 O ATOM 367 CB LEU A 22 9.895 -9.819 2.820 1.00 0.00 C ATOM 368 CG LEU A 22 11.414 -9.726 2.974 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.077 -9.492 1.627 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.785 -8.621 3.948 1.00 0.00 C ATOM 0 H LEU A 22 7.503 -10.168 2.308 1.00 0.00 H new ATOM 0 HA LEU A 22 9.874 -10.955 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.533 -8.896 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.447 -9.883 3.812 1.00 0.00 H new ATOM 0 HG LEU A 22 11.775 -10.674 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.157 -9.429 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.841 -10.319 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.709 -8.560 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.870 -8.570 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.409 -7.668 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.343 -8.831 4.922 1.00 0.00 H new ATOM 382 N LYS A 23 8.995 -12.704 3.647 1.00 0.00 N ATOM 383 CA LYS A 23 9.179 -13.973 4.343 1.00 0.00 C ATOM 384 C LYS A 23 9.023 -15.128 3.368 1.00 0.00 C ATOM 385 O LYS A 23 9.873 -16.013 3.263 1.00 0.00 O ATOM 386 CB LYS A 23 8.113 -14.109 5.425 1.00 0.00 C ATOM 387 CG LYS A 23 8.322 -15.279 6.376 1.00 0.00 C ATOM 388 CD LYS A 23 7.024 -15.653 7.074 1.00 0.00 C ATOM 389 CE LYS A 23 6.454 -14.494 7.881 1.00 0.00 C ATOM 390 NZ LYS A 23 5.046 -14.749 8.287 1.00 0.00 N ATOM 0 H LYS A 23 8.206 -12.154 3.987 1.00 0.00 H new ATOM 0 HA LYS A 23 10.176 -13.995 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.083 -13.187 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.140 -14.216 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.702 -16.138 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.076 -15.018 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.292 -15.972 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.199 -16.502 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.066 -14.333 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.503 -13.580 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.696 -13.947 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.455 -14.862 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.001 -15.617 8.858 1.00 0.00 H new ATOM 404 N LYS A 24 7.920 -15.083 2.648 1.00 0.00 N ATOM 405 CA LYS A 24 7.549 -16.129 1.705 1.00 0.00 C ATOM 406 C LYS A 24 8.459 -16.163 0.476 1.00 0.00 C ATOM 407 O LYS A 24 8.548 -17.185 -0.203 1.00 0.00 O ATOM 408 CB LYS A 24 6.080 -15.981 1.313 1.00 0.00 C ATOM 409 CG LYS A 24 5.133 -16.436 2.415 1.00 0.00 C ATOM 410 CD LYS A 24 3.695 -16.523 1.936 1.00 0.00 C ATOM 411 CE LYS A 24 2.786 -17.101 3.008 1.00 0.00 C ATOM 412 NZ LYS A 24 3.296 -18.403 3.515 1.00 0.00 N ATOM 0 H LYS A 24 7.249 -14.316 2.698 1.00 0.00 H new ATOM 0 HA LYS A 24 7.684 -17.088 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.875 -14.938 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.888 -16.562 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.451 -17.411 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.194 -15.742 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.343 -15.530 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.645 -17.144 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.703 -16.395 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.783 -17.236 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.503 -18.968 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.761 -18.919 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.981 -18.234 4.279 1.00 0.00 H new ATOM 426 N ALA A 25 9.122 -15.054 0.185 1.00 0.00 N ATOM 427 CA ALA A 25 10.115 -15.017 -0.885 1.00 0.00 C ATOM 428 C ALA A 25 11.277 -15.954 -0.560 1.00 0.00 C ATOM 429 O ALA A 25 11.936 -16.487 -1.453 1.00 0.00 O ATOM 430 CB ALA A 25 10.618 -13.596 -1.105 1.00 0.00 C ATOM 0 H ALA A 25 8.993 -14.167 0.672 1.00 0.00 H new ATOM 0 HA ALA A 25 9.642 -15.356 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.357 -13.592 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.782 -12.952 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.076 -13.226 -0.188 1.00 0.00 H new ATOM 436 N LYS A 26 11.514 -16.152 0.730 1.00 0.00 N ATOM 437 CA LYS A 26 12.545 -17.067 1.191 1.00 0.00 C ATOM 438 C LYS A 26 12.089 -18.518 1.036 1.00 0.00 C ATOM 439 O LYS A 26 12.914 -19.418 0.870 1.00 0.00 O ATOM 440 CB LYS A 26 12.909 -16.778 2.650 1.00 0.00 C ATOM 441 CG LYS A 26 13.543 -15.410 2.869 1.00 0.00 C ATOM 442 CD LYS A 26 14.904 -15.308 2.193 1.00 0.00 C ATOM 443 CE LYS A 26 15.574 -13.969 2.481 1.00 0.00 C ATOM 444 NZ LYS A 26 16.972 -13.924 1.969 1.00 0.00 N ATOM 0 H LYS A 26 11.001 -15.687 1.479 1.00 0.00 H new ATOM 0 HA LYS A 26 13.432 -16.916 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.009 -16.852 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.597 -17.547 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.883 -14.636 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.652 -15.226 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.545 -16.118 2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.787 -15.433 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.994 -13.167 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.575 -13.788 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.391 -12.997 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.533 -14.672 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.970 -14.071 0.939 1.00 0.00 H new ATOM 458 N GLU A 27 10.776 -18.735 1.106 1.00 0.00 N ATOM 459 CA GLU A 27 10.195 -20.065 0.935 1.00 0.00 C ATOM 460 C GLU A 27 10.651 -20.684 -0.383 1.00 0.00 C ATOM 461 O GLU A 27 11.107 -21.829 -0.422 1.00 0.00 O ATOM 462 CB GLU A 27 8.667 -19.990 0.970 1.00 0.00 C ATOM 463 CG GLU A 27 8.107 -19.420 2.264 1.00 0.00 C ATOM 464 CD GLU A 27 8.352 -20.320 3.452 1.00 0.00 C ATOM 465 OE1 GLU A 27 9.480 -20.325 3.977 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.419 -21.045 3.850 1.00 0.00 O ATOM 0 H GLU A 27 10.091 -18.000 1.281 1.00 0.00 H new ATOM 0 HA GLU A 27 10.538 -20.693 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.324 -19.377 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.260 -20.990 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.558 -18.446 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.035 -19.258 2.151 1.00 0.00 H new ATOM 473 N GLY A 28 10.524 -19.923 -1.462 1.00 0.00 N ATOM 474 CA GLY A 28 11.034 -20.368 -2.743 1.00 0.00 C ATOM 475 C GLY A 28 9.955 -20.872 -3.680 1.00 0.00 C ATOM 476 O GLY A 28 10.236 -21.187 -4.837 1.00 0.00 O ATOM 0 H GLY A 28 10.077 -19.006 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.563 -19.544 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.762 -21.162 -2.579 1.00 0.00 H new ATOM 480 N ASP A 29 8.721 -20.954 -3.198 1.00 0.00 N ATOM 481 CA ASP A 29 7.621 -21.402 -4.040 1.00 0.00 C ATOM 482 C ASP A 29 7.043 -20.234 -4.822 1.00 0.00 C ATOM 483 O ASP A 29 6.628 -19.227 -4.246 1.00 0.00 O ATOM 484 CB ASP A 29 6.519 -22.074 -3.226 1.00 0.00 C ATOM 485 CG ASP A 29 5.371 -22.515 -4.112 1.00 0.00 C ATOM 486 OD1 ASP A 29 5.583 -23.400 -4.967 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.255 -21.976 -3.967 1.00 0.00 O ATOM 0 H ASP A 29 8.459 -20.719 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 29 8.024 -22.140 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.927 -22.937 -2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.151 -21.383 -2.468 1.00 0.00 H new ATOM 492 N GLU A 30 7.019 -20.382 -6.136 1.00 0.00 N ATOM 493 CA GLU A 30 6.617 -19.307 -7.030 1.00 0.00 C ATOM 494 C GLU A 30 5.102 -19.123 -7.027 1.00 0.00 C ATOM 495 O GLU A 30 4.604 -18.013 -7.211 1.00 0.00 O ATOM 496 CB GLU A 30 7.108 -19.610 -8.444 1.00 0.00 C ATOM 497 CG GLU A 30 8.597 -19.916 -8.512 1.00 0.00 C ATOM 498 CD GLU A 30 9.024 -20.450 -9.861 1.00 0.00 C ATOM 499 OE1 GLU A 30 8.442 -21.459 -10.313 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.958 -19.885 -10.468 1.00 0.00 O ATOM 0 H GLU A 30 7.276 -21.246 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 30 7.066 -18.378 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.551 -20.459 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.890 -18.758 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.160 -19.009 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.849 -20.644 -7.741 1.00 0.00 H new ATOM 507 N GLN A 31 4.370 -20.207 -6.799 1.00 0.00 N ATOM 508 CA GLN A 31 2.911 -20.155 -6.805 1.00 0.00 C ATOM 509 C GLN A 31 2.396 -19.376 -5.601 1.00 0.00 C ATOM 510 O GLN A 31 1.464 -18.580 -5.712 1.00 0.00 O ATOM 511 CB GLN A 31 2.317 -21.564 -6.810 1.00 0.00 C ATOM 512 CG GLN A 31 2.653 -22.371 -8.055 1.00 0.00 C ATOM 513 CD GLN A 31 2.185 -21.705 -9.336 1.00 0.00 C ATOM 514 OE1 GLN A 31 1.052 -21.902 -9.777 1.00 0.00 O ATOM 515 NE2 GLN A 31 3.061 -20.934 -9.963 1.00 0.00 N ATOM 0 H GLN A 31 4.760 -21.130 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 31 2.597 -19.642 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.676 -22.102 -5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.233 -21.491 -6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.731 -22.522 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.196 -23.357 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.991 -20.793 -9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.806 -20.481 -10.840 1.00 0.00 H new ATOM 524 N GLU A 32 3.016 -19.607 -4.452 1.00 0.00 N ATOM 525 CA GLU A 32 2.659 -18.903 -3.230 1.00 0.00 C ATOM 526 C GLU A 32 2.911 -17.407 -3.393 1.00 0.00 C ATOM 527 O GLU A 32 2.118 -16.578 -2.946 1.00 0.00 O ATOM 528 CB GLU A 32 3.462 -19.469 -2.059 1.00 0.00 C ATOM 529 CG GLU A 32 2.845 -19.201 -0.700 1.00 0.00 C ATOM 530 CD GLU A 32 3.362 -20.150 0.358 1.00 0.00 C ATOM 531 OE1 GLU A 32 3.129 -21.372 0.223 1.00 0.00 O ATOM 532 OE2 GLU A 32 4.002 -19.692 1.325 1.00 0.00 O ATOM 0 H GLU A 32 3.773 -20.281 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 32 1.598 -19.046 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.569 -20.546 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.465 -19.044 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.059 -18.175 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.761 -19.293 -0.770 1.00 0.00 H new ATOM 539 N LEU A 33 4.007 -17.070 -4.067 1.00 0.00 N ATOM 540 CA LEU A 33 4.329 -15.678 -4.363 1.00 0.00 C ATOM 541 C LEU A 33 3.308 -15.082 -5.329 1.00 0.00 C ATOM 542 O LEU A 33 2.911 -13.926 -5.187 1.00 0.00 O ATOM 543 CB LEU A 33 5.737 -15.565 -4.951 1.00 0.00 C ATOM 544 CG LEU A 33 6.871 -15.961 -4.002 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.211 -15.862 -4.712 1.00 0.00 C ATOM 546 CD2 LEU A 33 6.862 -15.080 -2.763 1.00 0.00 C ATOM 0 H LEU A 33 4.688 -17.743 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 33 4.294 -15.116 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.794 -16.192 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.897 -14.537 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 33 6.717 -16.994 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.008 -16.146 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.217 -16.531 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.370 -14.837 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.675 -15.376 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.994 -14.038 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.911 -15.193 -2.243 1.00 0.00 H new ATOM 558 N ALA A 34 2.879 -15.878 -6.306 1.00 0.00 N ATOM 559 CA ALA A 34 1.857 -15.449 -7.257 1.00 0.00 C ATOM 560 C ALA A 34 0.545 -15.157 -6.535 1.00 0.00 C ATOM 561 O ALA A 34 -0.172 -14.214 -6.874 1.00 0.00 O ATOM 562 CB ALA A 34 1.653 -16.506 -8.333 1.00 0.00 C ATOM 0 H ALA A 34 3.224 -16.825 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 34 2.196 -14.531 -7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.888 -16.170 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.589 -16.666 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.335 -17.440 -7.870 1.00 0.00 H new ATOM 568 N ARG A 35 0.244 -15.977 -5.532 1.00 0.00 N ATOM 569 CA ARG A 35 -0.911 -15.749 -4.674 1.00 0.00 C ATOM 570 C ARG A 35 -0.793 -14.394 -3.991 1.00 0.00 C ATOM 571 O ARG A 35 -1.720 -13.586 -4.021 1.00 0.00 O ATOM 572 CB ARG A 35 -1.009 -16.853 -3.615 1.00 0.00 C ATOM 573 CG ARG A 35 -2.123 -16.649 -2.591 1.00 0.00 C ATOM 574 CD ARG A 35 -3.508 -16.942 -3.164 1.00 0.00 C ATOM 575 NE ARG A 35 -3.876 -16.035 -4.251 1.00 0.00 N ATOM 576 CZ ARG A 35 -5.046 -16.077 -4.890 1.00 0.00 C ATOM 577 NH1 ARG A 35 -6.008 -16.898 -4.482 1.00 0.00 N ATOM 578 NH2 ARG A 35 -5.261 -15.276 -5.926 1.00 0.00 N ATOM 0 H ARG A 35 0.787 -16.807 -5.294 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.811 -15.764 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.164 -17.808 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.057 -16.920 -3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.945 -17.296 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.094 -15.622 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.535 -17.969 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.249 -16.867 -2.368 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.198 -15.329 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.854 -17.502 -3.675 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.900 -16.924 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.533 -14.631 -6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.155 -15.306 -6.417 1.00 0.00 H new ATOM 592 N LEU A 36 0.367 -14.163 -3.395 1.00 0.00 N ATOM 593 CA LEU A 36 0.643 -12.929 -2.670 1.00 0.00 C ATOM 594 C LEU A 36 0.584 -11.713 -3.585 1.00 0.00 C ATOM 595 O LEU A 36 0.140 -10.648 -3.170 1.00 0.00 O ATOM 596 CB LEU A 36 2.017 -13.008 -2.013 1.00 0.00 C ATOM 597 CG LEU A 36 2.189 -14.141 -1.003 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.618 -14.173 -0.501 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.219 -13.975 0.156 1.00 0.00 C ATOM 0 H LEU A 36 1.144 -14.824 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.127 -12.815 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.770 -13.121 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.217 -12.061 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 36 1.969 -15.088 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.733 -14.983 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.295 -14.334 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.856 -13.224 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.356 -14.791 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.408 -13.025 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.196 -13.990 -0.221 1.00 0.00 H new ATOM 611 N ASN A 37 1.028 -11.879 -4.824 1.00 0.00 N ATOM 612 CA ASN A 37 1.008 -10.796 -5.806 1.00 0.00 C ATOM 613 C ASN A 37 -0.405 -10.231 -5.947 1.00 0.00 C ATOM 614 O ASN A 37 -0.605 -9.015 -5.957 1.00 0.00 O ATOM 615 CB ASN A 37 1.516 -11.308 -7.159 1.00 0.00 C ATOM 616 CG ASN A 37 1.520 -10.243 -8.238 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.477 -9.483 -8.374 1.00 0.00 O ATOM 618 ND2 ASN A 37 0.459 -10.196 -9.031 1.00 0.00 N ATOM 0 H ASN A 37 1.409 -12.757 -5.177 1.00 0.00 H new ATOM 0 HA ASN A 37 1.665 -9.997 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.527 -11.696 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.892 -12.141 -7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.417 -9.512 -9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.315 -10.844 -8.886 1.00 0.00 H new ATOM 625 N GLN A 38 -1.380 -11.126 -6.027 1.00 0.00 N ATOM 626 CA GLN A 38 -2.768 -10.748 -6.120 1.00 0.00 C ATOM 627 C GLN A 38 -3.235 -10.081 -4.831 1.00 0.00 C ATOM 628 O GLN A 38 -3.989 -9.108 -4.862 1.00 0.00 O ATOM 629 CB GLN A 38 -3.584 -12.005 -6.397 1.00 0.00 C ATOM 630 CG GLN A 38 -3.173 -12.742 -7.664 1.00 0.00 C ATOM 631 CD GLN A 38 -3.390 -11.917 -8.916 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.512 -11.164 -9.337 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.562 -12.056 -9.518 1.00 0.00 N ATOM 0 H GLN A 38 -1.222 -12.134 -6.029 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.902 -10.028 -6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.489 -12.682 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.637 -11.733 -6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.121 -13.018 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.742 -13.669 -7.741 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.261 -12.692 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.766 -11.527 -10.366 1.00 0.00 H new ATOM 642 N GLU A 39 -2.767 -10.598 -3.705 1.00 0.00 N ATOM 643 CA GLU A 39 -3.139 -10.066 -2.399 1.00 0.00 C ATOM 644 C GLU A 39 -2.597 -8.648 -2.230 1.00 0.00 C ATOM 645 O GLU A 39 -3.236 -7.798 -1.614 1.00 0.00 O ATOM 646 CB GLU A 39 -2.611 -10.978 -1.292 1.00 0.00 C ATOM 647 CG GLU A 39 -3.301 -10.784 0.051 1.00 0.00 C ATOM 648 CD GLU A 39 -4.786 -11.091 -0.011 1.00 0.00 C ATOM 649 OE1 GLU A 39 -5.151 -12.250 -0.313 1.00 0.00 O ATOM 650 OE2 GLU A 39 -5.601 -10.183 0.229 1.00 0.00 O ATOM 0 H GLU A 39 -2.125 -11.390 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.226 -10.028 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.729 -12.016 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.542 -10.802 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.831 -11.428 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.159 -9.756 0.384 1.00 0.00 H new ATOM 657 N ILE A 40 -1.417 -8.397 -2.787 1.00 0.00 N ATOM 658 CA ILE A 40 -0.831 -7.063 -2.765 1.00 0.00 C ATOM 659 C ILE A 40 -1.710 -6.085 -3.541 1.00 0.00 C ATOM 660 O ILE A 40 -2.005 -4.990 -3.065 1.00 0.00 O ATOM 661 CB ILE A 40 0.599 -7.054 -3.353 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.537 -7.915 -2.499 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.128 -5.628 -3.459 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.946 -8.011 -3.046 1.00 0.00 C ATOM 0 H ILE A 40 -0.848 -9.100 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.770 -6.752 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 40 0.560 -7.479 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.576 -7.503 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.120 -8.919 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.135 -5.644 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.476 -5.045 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.152 -5.174 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.550 -8.636 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.920 -8.452 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.383 -7.014 -3.102 1.00 0.00 H new ATOM 676 N VAL A 41 -2.136 -6.498 -4.732 1.00 0.00 N ATOM 677 CA VAL A 41 -3.038 -5.690 -5.545 1.00 0.00 C ATOM 678 C VAL A 41 -4.326 -5.405 -4.778 1.00 0.00 C ATOM 679 O VAL A 41 -4.832 -4.282 -4.786 1.00 0.00 O ATOM 680 CB VAL A 41 -3.383 -6.389 -6.879 1.00 0.00 C ATOM 681 CG1 VAL A 41 -4.323 -5.529 -7.711 1.00 0.00 C ATOM 682 CG2 VAL A 41 -2.118 -6.704 -7.660 1.00 0.00 C ATOM 0 H VAL A 41 -1.871 -7.388 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.526 -4.755 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.890 -7.327 -6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.553 -6.040 -8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.245 -5.356 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.846 -4.573 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.381 -7.196 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.583 -5.779 -7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.481 -7.363 -7.070 1.00 0.00 H new ATOM 692 N LYS A 42 -4.840 -6.434 -4.112 1.00 0.00 N ATOM 693 CA LYS A 42 -6.040 -6.308 -3.287 1.00 0.00 C ATOM 694 C LYS A 42 -5.840 -5.296 -2.160 1.00 0.00 C ATOM 695 O LYS A 42 -6.717 -4.474 -1.898 1.00 0.00 O ATOM 696 CB LYS A 42 -6.421 -7.664 -2.690 1.00 0.00 C ATOM 697 CG LYS A 42 -6.898 -8.678 -3.717 1.00 0.00 C ATOM 698 CD LYS A 42 -6.967 -10.073 -3.115 1.00 0.00 C ATOM 699 CE LYS A 42 -7.896 -10.123 -1.913 1.00 0.00 C ATOM 700 NZ LYS A 42 -7.790 -11.413 -1.190 1.00 0.00 N ATOM 0 H LYS A 42 -4.441 -7.373 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.844 -5.953 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.559 -8.073 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.206 -7.516 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.881 -8.389 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.222 -8.680 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.312 -10.779 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.968 -10.390 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.656 -9.305 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.924 -9.974 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.010 -11.266 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.463 -12.095 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.823 -11.784 -1.282 1.00 0.00 H new ATOM 714 N ALA A 43 -4.685 -5.358 -1.504 1.00 0.00 N ATOM 715 CA ALA A 43 -4.384 -4.471 -0.382 1.00 0.00 C ATOM 716 C ALA A 43 -4.330 -3.014 -0.832 1.00 0.00 C ATOM 717 O ALA A 43 -4.938 -2.138 -0.210 1.00 0.00 O ATOM 718 CB ALA A 43 -3.070 -4.874 0.272 1.00 0.00 C ATOM 0 H ALA A 43 -3.939 -6.015 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.186 -4.567 0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.858 -4.205 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.145 -5.898 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.264 -4.808 -0.459 1.00 0.00 H new ATOM 724 N GLU A 44 -3.615 -2.764 -1.925 1.00 0.00 N ATOM 725 CA GLU A 44 -3.513 -1.422 -2.481 1.00 0.00 C ATOM 726 C GLU A 44 -4.886 -0.927 -2.923 1.00 0.00 C ATOM 727 O GLU A 44 -5.257 0.218 -2.669 1.00 0.00 O ATOM 728 CB GLU A 44 -2.542 -1.405 -3.663 1.00 0.00 C ATOM 729 CG GLU A 44 -1.128 -1.840 -3.307 1.00 0.00 C ATOM 730 CD GLU A 44 -0.392 -0.838 -2.438 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.630 -0.791 -1.229 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.461 -0.091 -2.962 1.00 0.00 O ATOM 0 H GLU A 44 -3.098 -3.475 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.131 -0.756 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.926 -2.059 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.508 -0.398 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.170 -2.798 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.562 -1.999 -4.225 1.00 0.00 H new ATOM 739 N LYS A 45 -5.642 -1.813 -3.562 1.00 0.00 N ATOM 740 CA LYS A 45 -6.993 -1.498 -4.014 1.00 0.00 C ATOM 741 C LYS A 45 -7.877 -1.111 -2.829 1.00 0.00 C ATOM 742 O LYS A 45 -8.632 -0.137 -2.891 1.00 0.00 O ATOM 743 CB LYS A 45 -7.605 -2.707 -4.734 1.00 0.00 C ATOM 744 CG LYS A 45 -8.224 -2.390 -6.089 1.00 0.00 C ATOM 745 CD LYS A 45 -9.194 -1.222 -6.017 1.00 0.00 C ATOM 746 CE LYS A 45 -10.047 -1.118 -7.273 1.00 0.00 C ATOM 747 NZ LYS A 45 -9.237 -1.193 -8.522 1.00 0.00 N ATOM 0 H LYS A 45 -5.339 -2.762 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.935 -0.657 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.831 -3.462 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.370 -3.146 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.433 -2.160 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.745 -3.271 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.840 -1.339 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.637 -0.295 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.785 -1.920 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.598 -0.178 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.825 -0.917 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.424 -0.549 -8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.896 -2.166 -8.657 1.00 0.00 H new ATOM 761 N GLN A 46 -7.767 -1.878 -1.748 1.00 0.00 N ATOM 762 CA GLN A 46 -8.544 -1.627 -0.540 1.00 0.00 C ATOM 763 C GLN A 46 -8.190 -0.262 0.039 1.00 0.00 C ATOM 764 O GLN A 46 -9.067 0.492 0.465 1.00 0.00 O ATOM 765 CB GLN A 46 -8.277 -2.719 0.498 1.00 0.00 C ATOM 766 CG GLN A 46 -9.271 -2.732 1.647 1.00 0.00 C ATOM 767 CD GLN A 46 -10.685 -3.042 1.196 1.00 0.00 C ATOM 768 OE1 GLN A 46 -10.899 -3.748 0.210 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.663 -2.535 1.926 1.00 0.00 N ATOM 0 H GLN A 46 -7.143 -2.683 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.603 -1.638 -0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.296 -3.690 0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.273 -2.586 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.959 -3.472 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.257 -1.762 2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.446 -1.954 2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.634 -2.724 1.679 1.00 0.00 H new ATOM 778 N GLY A 47 -6.901 0.046 0.042 1.00 0.00 N ATOM 779 CA GLY A 47 -6.447 1.348 0.489 1.00 0.00 C ATOM 780 C GLY A 47 -7.017 2.467 -0.359 1.00 0.00 C ATOM 781 O GLY A 47 -7.512 3.465 0.168 1.00 0.00 O ATOM 0 H GLY A 47 -6.158 -0.585 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.738 1.496 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.358 1.385 0.454 1.00 0.00 H new ATOM 785 N VAL A 48 -6.972 2.285 -1.676 1.00 0.00 N ATOM 786 CA VAL A 48 -7.526 3.259 -2.618 1.00 0.00 C ATOM 787 C VAL A 48 -9.008 3.508 -2.337 1.00 0.00 C ATOM 788 O VAL A 48 -9.482 4.642 -2.416 1.00 0.00 O ATOM 789 CB VAL A 48 -7.347 2.786 -4.080 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.063 3.711 -5.056 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.869 2.693 -4.427 1.00 0.00 C ATOM 0 H VAL A 48 -6.555 1.467 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.978 4.191 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.795 1.796 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.917 3.350 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.128 3.728 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.657 4.719 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.758 2.359 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.406 3.673 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.383 1.980 -3.761 1.00 0.00 H new ATOM 801 N LYS A 49 -9.719 2.445 -1.987 1.00 0.00 N ATOM 802 CA LYS A 49 -11.138 2.532 -1.657 1.00 0.00 C ATOM 803 C LYS A 49 -11.347 3.497 -0.488 1.00 0.00 C ATOM 804 O LYS A 49 -12.262 4.325 -0.502 1.00 0.00 O ATOM 805 CB LYS A 49 -11.660 1.133 -1.305 1.00 0.00 C ATOM 806 CG LYS A 49 -13.129 0.890 -1.636 1.00 0.00 C ATOM 807 CD LYS A 49 -14.069 1.657 -0.720 1.00 0.00 C ATOM 808 CE LYS A 49 -15.514 1.247 -0.953 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.454 2.007 -0.088 1.00 0.00 N ATOM 0 H LYS A 49 -9.333 1.503 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.692 2.913 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.057 0.394 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.511 0.964 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.318 1.180 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.343 -0.176 -1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.799 1.474 0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.959 2.727 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.773 1.409 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.624 0.180 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.428 1.697 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.224 1.833 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.368 3.023 -0.291 1.00 0.00 H new ATOM 823 N VAL A 50 -10.480 3.397 0.514 1.00 0.00 N ATOM 824 CA VAL A 50 -10.558 4.255 1.692 1.00 0.00 C ATOM 825 C VAL A 50 -10.160 5.693 1.350 1.00 0.00 C ATOM 826 O VAL A 50 -10.810 6.646 1.784 1.00 0.00 O ATOM 827 CB VAL A 50 -9.663 3.732 2.837 1.00 0.00 C ATOM 828 CG1 VAL A 50 -9.823 4.583 4.091 1.00 0.00 C ATOM 829 CG2 VAL A 50 -9.981 2.273 3.139 1.00 0.00 C ATOM 0 H VAL A 50 -9.711 2.727 0.534 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.595 4.240 2.028 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.625 3.802 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.181 4.192 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.541 5.612 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.862 4.554 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.341 1.921 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.026 2.182 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.804 1.670 2.248 1.00 0.00 H new ATOM 839 N TYR A 51 -9.091 5.843 0.569 1.00 0.00 N ATOM 840 CA TYR A 51 -8.628 7.168 0.155 1.00 0.00 C ATOM 841 C TYR A 51 -9.695 7.895 -0.654 1.00 0.00 C ATOM 842 O TYR A 51 -9.920 9.090 -0.464 1.00 0.00 O ATOM 843 CB TYR A 51 -7.334 7.074 -0.659 1.00 0.00 C ATOM 844 CG TYR A 51 -6.101 6.817 0.183 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.563 7.819 0.981 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.477 5.579 0.179 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.439 7.591 1.754 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.353 5.340 0.948 1.00 0.00 C ATOM 849 CZ TYR A 51 -3.837 6.350 1.734 1.00 0.00 C ATOM 850 OH TYR A 51 -2.722 6.115 2.513 1.00 0.00 O ATOM 0 H TYR A 51 -8.532 5.069 0.212 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.428 7.738 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.435 6.275 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.197 8.002 -1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.030 8.792 0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.876 4.786 -0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.035 8.381 2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.882 4.368 0.934 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.698 5.171 2.774 1.00 0.00 H new ATOM 860 N LYS A 52 -10.352 7.161 -1.543 1.00 0.00 N ATOM 861 CA LYS A 52 -11.408 7.718 -2.381 1.00 0.00 C ATOM 862 C LYS A 52 -12.534 8.265 -1.505 1.00 0.00 C ATOM 863 O LYS A 52 -13.069 9.347 -1.757 1.00 0.00 O ATOM 864 CB LYS A 52 -11.929 6.633 -3.338 1.00 0.00 C ATOM 865 CG LYS A 52 -12.709 7.158 -4.543 1.00 0.00 C ATOM 866 CD LYS A 52 -14.154 7.489 -4.200 1.00 0.00 C ATOM 867 CE LYS A 52 -14.915 7.968 -5.426 1.00 0.00 C ATOM 868 NZ LYS A 52 -16.342 8.247 -5.125 1.00 0.00 N ATOM 0 H LYS A 52 -10.170 6.170 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.011 8.542 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.082 6.050 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.570 5.952 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.217 8.050 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.689 6.413 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.643 6.607 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.180 8.259 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.444 8.871 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.851 7.213 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.726 8.899 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.881 7.358 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.420 8.680 -4.182 1.00 0.00 H new ATOM 882 N GLU A 53 -12.873 7.512 -0.464 1.00 0.00 N ATOM 883 CA GLU A 53 -13.894 7.911 0.494 1.00 0.00 C ATOM 884 C GLU A 53 -13.537 9.237 1.168 1.00 0.00 C ATOM 885 O GLU A 53 -14.366 10.144 1.272 1.00 0.00 O ATOM 886 CB GLU A 53 -14.033 6.816 1.548 1.00 0.00 C ATOM 887 CG GLU A 53 -15.437 6.266 1.680 1.00 0.00 C ATOM 888 CD GLU A 53 -16.406 7.270 2.267 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.959 8.083 1.499 1.00 0.00 O ATOM 890 OE2 GLU A 53 -16.622 7.253 3.497 1.00 0.00 O ATOM 0 H GLU A 53 -12.447 6.608 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.837 8.050 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.355 5.999 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.716 7.212 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.794 5.954 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.416 5.376 2.310 1.00 0.00 H new ATOM 897 N ALA A 54 -12.293 9.342 1.611 1.00 0.00 N ATOM 898 CA ALA A 54 -11.822 10.515 2.336 1.00 0.00 C ATOM 899 C ALA A 54 -11.676 11.727 1.418 1.00 0.00 C ATOM 900 O ALA A 54 -11.879 12.866 1.844 1.00 0.00 O ATOM 901 CB ALA A 54 -10.502 10.210 3.025 1.00 0.00 C ATOM 0 H ALA A 54 -11.584 8.621 1.479 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.570 10.763 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.160 11.094 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.640 9.388 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.759 9.929 2.279 1.00 0.00 H new ATOM 907 N ALA A 55 -11.309 11.477 0.164 1.00 0.00 N ATOM 908 CA ALA A 55 -11.074 12.547 -0.803 1.00 0.00 C ATOM 909 C ALA A 55 -12.322 13.392 -1.034 1.00 0.00 C ATOM 910 O ALA A 55 -12.230 14.607 -1.211 1.00 0.00 O ATOM 911 CB ALA A 55 -10.574 11.972 -2.119 1.00 0.00 C ATOM 0 H ALA A 55 -11.167 10.538 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.309 13.201 -0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.404 12.782 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.640 11.435 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.319 11.286 -2.523 1.00 0.00 H new ATOM 917 N GLU A 56 -13.488 12.760 -1.031 1.00 0.00 N ATOM 918 CA GLU A 56 -14.739 13.489 -1.210 1.00 0.00 C ATOM 919 C GLU A 56 -15.135 14.196 0.079 1.00 0.00 C ATOM 920 O GLU A 56 -15.915 15.150 0.072 1.00 0.00 O ATOM 921 CB GLU A 56 -15.859 12.550 -1.652 1.00 0.00 C ATOM 922 CG GLU A 56 -15.630 11.924 -3.013 1.00 0.00 C ATOM 923 CD GLU A 56 -16.780 11.042 -3.438 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.774 9.847 -3.090 1.00 0.00 O ATOM 925 OE2 GLU A 56 -17.701 11.538 -4.121 1.00 0.00 O ATOM 0 H GLU A 56 -13.595 11.753 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.583 14.235 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.970 11.758 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.798 13.103 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.486 12.711 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.713 11.336 -2.990 1.00 0.00 H new ATOM 932 N LYS A 57 -14.573 13.729 1.181 1.00 0.00 N ATOM 933 CA LYS A 57 -14.855 14.290 2.489 1.00 0.00 C ATOM 934 C LYS A 57 -13.830 15.362 2.856 1.00 0.00 C ATOM 935 O LYS A 57 -13.747 15.788 4.008 1.00 0.00 O ATOM 936 CB LYS A 57 -14.875 13.176 3.532 1.00 0.00 C ATOM 937 CG LYS A 57 -16.124 12.309 3.467 1.00 0.00 C ATOM 938 CD LYS A 57 -16.056 11.145 4.441 1.00 0.00 C ATOM 939 CE LYS A 57 -17.391 10.428 4.546 1.00 0.00 C ATOM 940 NZ LYS A 57 -17.873 9.924 3.230 1.00 0.00 N ATOM 0 H LYS A 57 -13.911 12.953 1.193 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.835 14.767 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.997 12.545 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.800 13.617 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.001 12.918 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.249 11.928 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.289 10.442 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.759 11.509 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.297 9.592 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.133 11.108 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.527 9.130 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.366 10.688 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.062 9.602 2.664 1.00 0.00 H new ATOM 954 N ALA A 58 -13.051 15.792 1.870 1.00 0.00 N ATOM 955 CA ALA A 58 -12.089 16.864 2.069 1.00 0.00 C ATOM 956 C ALA A 58 -12.796 18.172 2.407 1.00 0.00 C ATOM 957 O ALA A 58 -13.595 18.678 1.617 1.00 0.00 O ATOM 958 CB ALA A 58 -11.224 17.036 0.832 1.00 0.00 C ATOM 0 H ALA A 58 -13.069 15.412 0.924 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.449 16.595 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.509 17.842 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.686 16.109 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.855 17.280 -0.022 1.00 0.00 H new ATOM 964 N ARG A 59 -12.515 18.703 3.588 1.00 0.00 N ATOM 965 CA ARG A 59 -13.120 19.955 4.028 1.00 0.00 C ATOM 966 C ARG A 59 -12.280 21.145 3.560 1.00 0.00 C ATOM 967 O ARG A 59 -12.701 22.301 3.659 1.00 0.00 O ATOM 968 CB ARG A 59 -13.239 19.985 5.558 1.00 0.00 C ATOM 969 CG ARG A 59 -13.924 18.767 6.170 1.00 0.00 C ATOM 970 CD ARG A 59 -15.369 18.628 5.716 1.00 0.00 C ATOM 971 NE ARG A 59 -16.049 17.527 6.404 1.00 0.00 N ATOM 972 CZ ARG A 59 -17.301 17.143 6.153 1.00 0.00 C ATOM 973 NH1 ARG A 59 -18.019 17.760 5.223 1.00 0.00 N ATOM 974 NH2 ARG A 59 -17.836 16.142 6.842 1.00 0.00 N ATOM 0 H ARG A 59 -11.871 18.287 4.261 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.116 20.024 3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.240 20.075 5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.791 20.879 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.372 17.867 5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.893 18.843 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.901 19.560 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.398 18.458 4.640 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.530 17.021 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.614 18.533 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.976 17.461 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.289 15.669 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.794 15.846 6.652 1.00 0.00 H new ATOM 988 N ASN A 60 -11.087 20.850 3.057 1.00 0.00 N ATOM 989 CA ASN A 60 -10.151 21.875 2.606 1.00 0.00 C ATOM 990 C ASN A 60 -9.107 21.249 1.674 1.00 0.00 C ATOM 991 O ASN A 60 -8.643 20.136 1.925 1.00 0.00 O ATOM 992 CB ASN A 60 -9.489 22.540 3.824 1.00 0.00 C ATOM 993 CG ASN A 60 -8.384 23.513 3.464 1.00 0.00 C ATOM 994 OD1 ASN A 60 -8.637 24.660 3.093 1.00 0.00 O ATOM 995 ND2 ASN A 60 -7.147 23.077 3.611 1.00 0.00 N ATOM 0 H ASN A 60 -10.741 19.896 2.950 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.684 22.644 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.251 23.067 4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.081 21.765 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.361 23.697 3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.977 22.120 3.920 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.751 21.948 0.576 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.836 21.448 -0.469 1.00 0.00 C ATOM 1004 C PRO A 61 -6.539 20.816 0.058 1.00 0.00 C ATOM 1005 O PRO A 61 -6.009 19.893 -0.561 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.510 22.694 -1.307 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.131 23.851 -0.592 1.00 0.00 C ATOM 1008 CD PRO A 61 -9.245 23.286 0.236 1.00 0.00 C ATOM 0 HA PRO A 61 -8.314 20.640 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.432 22.828 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.910 22.600 -2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.399 24.358 0.036 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.509 24.588 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.432 23.886 1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.181 23.242 -0.321 1.00 0.00 H new ATOM 1016 N GLU A 62 -6.027 21.303 1.187 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.813 20.759 1.773 1.00 0.00 C ATOM 1018 C GLU A 62 -4.959 19.265 2.046 1.00 0.00 C ATOM 1019 O GLU A 62 -4.026 18.485 1.842 1.00 0.00 O ATOM 1020 CB GLU A 62 -4.503 21.498 3.065 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.854 22.855 2.859 1.00 0.00 C ATOM 1022 CD GLU A 62 -2.494 22.754 2.202 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -1.519 22.395 2.901 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -2.393 23.036 0.994 1.00 0.00 O ATOM 0 H GLU A 62 -6.438 22.075 1.712 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.993 20.893 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.428 21.630 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.844 20.881 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.506 23.476 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.752 23.355 3.822 1.00 0.00 H new ATOM 1031 N LYS A 63 -6.145 18.880 2.493 1.00 0.00 N ATOM 1032 CA LYS A 63 -6.461 17.484 2.764 1.00 0.00 C ATOM 1033 C LYS A 63 -6.423 16.671 1.472 1.00 0.00 C ATOM 1034 O LYS A 63 -5.974 15.523 1.463 1.00 0.00 O ATOM 1035 CB LYS A 63 -7.845 17.392 3.416 1.00 0.00 C ATOM 1036 CG LYS A 63 -8.321 15.974 3.698 1.00 0.00 C ATOM 1037 CD LYS A 63 -9.705 15.986 4.326 1.00 0.00 C ATOM 1038 CE LYS A 63 -10.248 14.581 4.533 1.00 0.00 C ATOM 1039 NZ LYS A 63 -9.402 13.792 5.462 1.00 0.00 N ATOM 0 H LYS A 63 -6.914 19.524 2.678 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.717 17.073 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.828 17.948 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.571 17.882 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.342 15.401 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.618 15.475 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.664 16.504 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.388 16.548 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.263 14.638 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.307 14.069 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.009 13.237 6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.794 13.149 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.809 14.436 6.023 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.872 17.285 0.381 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.917 16.610 -0.909 1.00 0.00 C ATOM 1055 C ARG A 64 -5.509 16.313 -1.411 1.00 0.00 C ATOM 1056 O ARG A 64 -5.254 15.226 -1.922 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.699 17.445 -1.938 1.00 0.00 C ATOM 1058 CG ARG A 64 -7.782 16.803 -3.318 1.00 0.00 C ATOM 1059 CD ARG A 64 -6.647 17.262 -4.225 1.00 0.00 C ATOM 1060 NE ARG A 64 -6.419 16.339 -5.339 1.00 0.00 N ATOM 1061 CZ ARG A 64 -6.587 16.656 -6.625 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -7.106 17.830 -6.967 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -6.266 15.782 -7.569 1.00 0.00 N ATOM 0 H ARG A 64 -7.209 18.248 0.366 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.439 15.662 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.709 17.612 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.228 18.424 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.750 15.718 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.738 17.052 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.876 18.253 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.732 17.355 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.112 15.392 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.379 18.497 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.231 18.065 -7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.891 14.869 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.394 16.023 -8.552 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.598 17.271 -1.256 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.229 17.110 -1.725 1.00 0.00 C ATOM 1079 C GLN A 65 -2.562 15.902 -1.079 1.00 0.00 C ATOM 1080 O GLN A 65 -1.884 15.127 -1.753 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.411 18.368 -1.436 1.00 0.00 C ATOM 1082 CG GLN A 65 -2.287 19.309 -2.625 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.583 20.021 -2.955 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -4.406 19.519 -3.721 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -3.763 21.207 -2.395 1.00 0.00 N ATOM 0 H GLN A 65 -4.786 18.168 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.267 16.948 -2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.870 18.905 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.413 18.074 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.515 20.050 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.958 18.743 -3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.056 21.587 -1.766 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.609 21.741 -2.593 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.769 15.739 0.222 1.00 0.00 N ATOM 1095 CA VAL A 66 -2.192 14.617 0.950 1.00 0.00 C ATOM 1096 C VAL A 66 -2.740 13.297 0.421 1.00 0.00 C ATOM 1097 O VAL A 66 -1.981 12.393 0.073 1.00 0.00 O ATOM 1098 CB VAL A 66 -2.474 14.724 2.466 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.827 13.575 3.223 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.985 16.057 3.005 1.00 0.00 C ATOM 0 H VAL A 66 -3.332 16.369 0.794 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.113 14.648 0.796 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.552 14.663 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.041 13.674 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.227 12.629 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.749 13.597 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.192 16.115 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.912 16.145 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.500 16.868 2.491 1.00 0.00 H new ATOM 1110 N ILE A 67 -4.061 13.213 0.330 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.725 12.006 -0.141 1.00 0.00 C ATOM 1112 C ILE A 67 -4.328 11.694 -1.582 1.00 0.00 C ATOM 1113 O ILE A 67 -3.980 10.560 -1.908 1.00 0.00 O ATOM 1114 CB ILE A 67 -6.259 12.155 -0.056 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.686 12.370 1.399 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.956 10.937 -0.647 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -8.156 12.693 1.557 1.00 0.00 C ATOM 0 H ILE A 67 -4.696 13.972 0.578 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.409 11.185 0.502 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.555 13.026 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.456 11.472 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.096 13.181 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.036 11.066 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.672 10.827 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.660 10.045 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.386 12.832 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.388 13.607 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.754 11.872 1.160 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.354 12.720 -2.426 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.082 12.569 -3.853 1.00 0.00 C ATOM 1131 C ASP A 68 -2.683 12.026 -4.099 1.00 0.00 C ATOM 1132 O ASP A 68 -2.504 11.067 -4.850 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.230 13.915 -4.565 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.108 13.793 -6.070 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.137 13.533 -6.729 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -2.993 13.978 -6.601 1.00 0.00 O ATOM 0 H ASP A 68 -4.563 13.677 -2.143 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.806 11.858 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.198 14.349 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.469 14.603 -4.197 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.694 12.629 -3.454 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.308 12.238 -3.671 1.00 0.00 C ATOM 1143 C LYS A 69 -0.043 10.816 -3.186 1.00 0.00 C ATOM 1144 O LYS A 69 0.596 10.030 -3.886 1.00 0.00 O ATOM 1145 CB LYS A 69 0.648 13.227 -2.999 1.00 0.00 C ATOM 1146 CG LYS A 69 0.628 14.628 -3.611 1.00 0.00 C ATOM 1147 CD LYS A 69 1.276 14.678 -4.995 1.00 0.00 C ATOM 1148 CE LYS A 69 0.422 14.008 -6.067 1.00 0.00 C ATOM 1149 NZ LYS A 69 1.076 14.032 -7.401 1.00 0.00 N ATOM 0 H LYS A 69 -1.823 13.385 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.126 12.259 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.394 13.300 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.662 12.832 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.403 14.973 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.148 15.318 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.452 15.717 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.250 14.190 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.225 12.975 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.543 14.512 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.004 13.092 -7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.604 14.734 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.078 14.287 -7.292 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.556 10.475 -2.009 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.381 9.129 -1.476 1.00 0.00 C ATOM 1165 C ILE A 70 -1.108 8.112 -2.354 1.00 0.00 C ATOM 1166 O ILE A 70 -0.589 7.031 -2.629 1.00 0.00 O ATOM 1167 CB ILE A 70 -0.882 9.019 -0.017 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.116 9.988 0.885 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -0.726 7.594 0.488 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -0.576 9.976 2.329 1.00 0.00 C ATOM 0 H ILE A 70 -1.091 11.105 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 70 0.687 8.913 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.939 9.284 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.945 9.740 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.221 10.998 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.083 7.531 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.308 6.920 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.325 7.308 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.014 10.689 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.629 10.254 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.445 8.977 2.744 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.304 8.480 -2.805 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.089 7.642 -3.705 1.00 0.00 C ATOM 1184 C LEU A 71 -2.302 7.337 -4.976 1.00 0.00 C ATOM 1185 O LEU A 71 -2.228 6.193 -5.421 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.395 8.355 -4.072 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.676 7.573 -3.784 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -6.894 8.424 -4.105 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -5.708 6.282 -4.584 1.00 0.00 C ATOM 0 H LEU A 71 -2.754 9.362 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.314 6.705 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.437 9.300 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.370 8.598 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.694 7.319 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.800 7.856 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.881 9.325 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.876 8.703 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.628 5.741 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.668 6.513 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.851 5.665 -4.314 1.00 0.00 H new ATOM 1201 N GLU A 72 -1.702 8.378 -5.539 1.00 0.00 N ATOM 1202 CA GLU A 72 -0.929 8.260 -6.768 1.00 0.00 C ATOM 1203 C GLU A 72 0.310 7.400 -6.541 1.00 0.00 C ATOM 1204 O GLU A 72 0.707 6.625 -7.410 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.543 9.656 -7.248 1.00 0.00 C ATOM 1206 CG GLU A 72 -0.089 9.711 -8.694 1.00 0.00 C ATOM 1207 CD GLU A 72 -0.277 11.087 -9.296 1.00 0.00 C ATOM 1208 OE1 GLU A 72 0.501 12.002 -8.970 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -1.217 11.262 -10.097 1.00 0.00 O ATOM 0 H GLU A 72 -1.737 9.324 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.533 7.772 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.397 10.321 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.256 10.039 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.962 9.429 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.649 8.980 -9.278 1.00 0.00 H new ATOM 1216 N ASP A 73 0.915 7.540 -5.367 1.00 0.00 N ATOM 1217 CA ASP A 73 2.038 6.683 -4.983 1.00 0.00 C ATOM 1218 C ASP A 73 1.604 5.225 -4.917 1.00 0.00 C ATOM 1219 O ASP A 73 2.355 4.335 -5.312 1.00 0.00 O ATOM 1220 CB ASP A 73 2.645 7.099 -3.640 1.00 0.00 C ATOM 1221 CG ASP A 73 3.686 8.193 -3.778 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.692 7.974 -4.489 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.513 9.265 -3.172 1.00 0.00 O ATOM 0 H ASP A 73 0.651 8.233 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 73 2.803 6.800 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.850 7.442 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.100 6.229 -3.167 1.00 0.00 H new ATOM 1228 N GLU A 74 0.393 4.981 -4.422 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.144 3.625 -4.359 1.00 0.00 C ATOM 1230 C GLU A 74 -0.394 3.091 -5.768 1.00 0.00 C ATOM 1231 O GLU A 74 -0.077 1.940 -6.065 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.434 3.575 -3.531 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.257 4.012 -2.083 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.314 3.125 -1.286 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.299 2.196 -1.869 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.166 3.357 -0.060 1.00 0.00 O ATOM 0 H GLU A 74 -0.232 5.701 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 74 0.594 2.992 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.182 4.212 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.825 2.558 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.881 5.035 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.231 4.022 -1.594 1.00 0.00 H new ATOM 1243 N GLU A 75 -0.942 3.937 -6.635 1.00 0.00 N ATOM 1244 CA GLU A 75 -1.129 3.583 -8.035 1.00 0.00 C ATOM 1245 C GLU A 75 0.212 3.219 -8.668 1.00 0.00 C ATOM 1246 O GLU A 75 0.319 2.263 -9.439 1.00 0.00 O ATOM 1247 CB GLU A 75 -1.768 4.752 -8.795 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.216 5.039 -8.412 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.104 3.810 -8.463 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.710 2.800 -9.078 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.188 3.834 -7.839 1.00 0.00 O ATOM 0 H GLU A 75 -1.264 4.873 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.793 2.720 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.175 5.650 -8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.723 4.542 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.243 5.457 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.619 5.798 -9.083 1.00 0.00 H new ATOM 1258 N LYS A 76 1.231 3.988 -8.308 1.00 0.00 N ATOM 1259 CA LYS A 76 2.599 3.752 -8.754 1.00 0.00 C ATOM 1260 C LYS A 76 3.076 2.358 -8.338 1.00 0.00 C ATOM 1261 O LYS A 76 3.738 1.662 -9.108 1.00 0.00 O ATOM 1262 CB LYS A 76 3.506 4.826 -8.147 1.00 0.00 C ATOM 1263 CG LYS A 76 4.984 4.671 -8.462 1.00 0.00 C ATOM 1264 CD LYS A 76 5.824 5.551 -7.546 1.00 0.00 C ATOM 1265 CE LYS A 76 5.675 5.130 -6.089 1.00 0.00 C ATOM 1266 NZ LYS A 76 6.351 6.069 -5.156 1.00 0.00 N ATOM 0 H LYS A 76 1.132 4.797 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 76 2.637 3.805 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.175 5.802 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.378 4.819 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.279 3.628 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.169 4.939 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.872 5.490 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.521 6.592 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.616 5.071 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.090 4.131 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.309 5.688 -4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.345 6.185 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.873 6.992 -5.185 1.00 0.00 H new ATOM 1280 N HIS A 77 2.724 1.958 -7.122 1.00 0.00 N ATOM 1281 CA HIS A 77 3.106 0.648 -6.601 1.00 0.00 C ATOM 1282 C HIS A 77 2.459 -0.464 -7.416 1.00 0.00 C ATOM 1283 O HIS A 77 3.089 -1.484 -7.717 1.00 0.00 O ATOM 1284 CB HIS A 77 2.694 0.510 -5.132 1.00 0.00 C ATOM 1285 CG HIS A 77 3.333 1.507 -4.224 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.765 1.844 -3.013 1.00 0.00 N ATOM 1287 CD2 HIS A 77 4.483 2.201 -4.387 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.587 2.737 -2.475 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.634 2.979 -3.276 1.00 0.00 N ATOM 0 H HIS A 77 2.173 2.523 -6.475 1.00 0.00 H new ATOM 0 HA HIS A 77 4.190 0.561 -6.677 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.611 0.609 -5.059 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.946 -0.493 -4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.152 2.149 -5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.432 3.208 -1.515 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.401 3.625 -3.090 1.00 0.00 H new ATOM 1297 N ILE A 78 1.197 -0.260 -7.765 1.00 0.00 N ATOM 1298 CA ILE A 78 0.457 -1.226 -8.556 1.00 0.00 C ATOM 1299 C ILE A 78 1.036 -1.316 -9.965 1.00 0.00 C ATOM 1300 O ILE A 78 1.108 -2.397 -10.546 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.042 -0.869 -8.628 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -1.595 -0.631 -7.221 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -1.817 -1.982 -9.318 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.053 -0.218 -7.193 1.00 0.00 C ATOM 0 H ILE A 78 0.664 0.571 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 78 0.552 -2.194 -8.065 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.157 0.046 -9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.475 -1.543 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.000 0.141 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.873 -1.717 -9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.435 -2.118 -10.330 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.699 -2.909 -8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.369 -0.069 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.179 0.711 -7.749 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.661 -0.999 -7.649 1.00 0.00 H new ATOM 1316 N GLU A 79 1.460 -0.171 -10.502 1.00 0.00 N ATOM 1317 CA GLU A 79 2.078 -0.110 -11.821 1.00 0.00 C ATOM 1318 C GLU A 79 3.268 -1.056 -11.918 1.00 0.00 C ATOM 1319 O GLU A 79 3.446 -1.746 -12.923 1.00 0.00 O ATOM 1320 CB GLU A 79 2.533 1.319 -12.116 1.00 0.00 C ATOM 1321 CG GLU A 79 1.394 2.278 -12.413 1.00 0.00 C ATOM 1322 CD GLU A 79 0.694 1.951 -13.711 1.00 0.00 C ATOM 1323 OE1 GLU A 79 -0.256 1.148 -13.694 1.00 0.00 O ATOM 1324 OE2 GLU A 79 1.095 2.499 -14.761 1.00 0.00 O ATOM 0 H GLU A 79 1.384 0.733 -10.036 1.00 0.00 H new ATOM 0 HA GLU A 79 1.335 -0.419 -12.556 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.097 1.694 -11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.214 1.305 -12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.673 2.247 -11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.781 3.296 -12.458 1.00 0.00 H new ATOM 1331 N TRP A 80 4.075 -1.089 -10.866 1.00 0.00 N ATOM 1332 CA TRP A 80 5.240 -1.958 -10.831 1.00 0.00 C ATOM 1333 C TRP A 80 4.814 -3.422 -10.846 1.00 0.00 C ATOM 1334 O TRP A 80 5.364 -4.235 -11.590 1.00 0.00 O ATOM 1335 CB TRP A 80 6.072 -1.694 -9.577 1.00 0.00 C ATOM 1336 CG TRP A 80 6.568 -0.286 -9.443 1.00 0.00 C ATOM 1337 CD1 TRP A 80 6.807 0.609 -10.447 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.910 0.377 -8.221 1.00 0.00 C ATOM 1339 NE1 TRP A 80 7.262 1.795 -9.917 1.00 0.00 N ATOM 1340 CE2 TRP A 80 7.339 1.673 -8.555 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.891 -0.003 -6.874 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 7.745 2.591 -7.592 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 7.297 0.907 -5.922 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.719 2.191 -6.284 1.00 0.00 C ATOM 0 H TRP A 80 3.943 -0.524 -10.027 1.00 0.00 H new ATOM 0 HA TRP A 80 5.842 -1.745 -11.714 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.472 -1.939 -8.701 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.928 -2.369 -9.576 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.661 0.415 -11.499 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.503 2.629 -10.452 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.564 -0.991 -6.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.069 3.584 -7.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.289 0.624 -4.880 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.031 2.881 -5.514 1.00 0.00 H new ATOM 1355 N HIS A 81 3.817 -3.743 -10.030 1.00 0.00 N ATOM 1356 CA HIS A 81 3.347 -5.116 -9.892 1.00 0.00 C ATOM 1357 C HIS A 81 2.640 -5.604 -11.155 1.00 0.00 C ATOM 1358 O HIS A 81 2.668 -6.794 -11.465 1.00 0.00 O ATOM 1359 CB HIS A 81 2.447 -5.253 -8.663 1.00 0.00 C ATOM 1360 CG HIS A 81 3.224 -5.393 -7.382 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.751 -4.336 -6.665 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.586 -6.515 -6.711 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.406 -4.844 -5.609 1.00 0.00 C ATOM 1364 NE2 HIS A 81 4.331 -6.158 -5.591 1.00 0.00 N ATOM 0 H HIS A 81 3.317 -3.068 -9.452 1.00 0.00 H new ATOM 0 HA HIS A 81 4.220 -5.754 -9.751 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.798 -4.380 -8.595 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.801 -6.122 -8.787 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.659 -3.347 -6.897 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.336 -7.525 -7.000 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.926 -4.252 -4.871 1.00 0.00 H new ATOM 1372 N LYS A 82 2.015 -4.685 -11.887 1.00 0.00 N ATOM 1373 CA LYS A 82 1.391 -5.021 -13.167 1.00 0.00 C ATOM 1374 C LYS A 82 2.430 -5.583 -14.137 1.00 0.00 C ATOM 1375 O LYS A 82 2.166 -6.548 -14.855 1.00 0.00 O ATOM 1376 CB LYS A 82 0.720 -3.789 -13.787 1.00 0.00 C ATOM 1377 CG LYS A 82 -0.484 -3.279 -13.010 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.019 -1.986 -13.608 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.124 -1.390 -12.749 1.00 0.00 C ATOM 1380 NZ LYS A 82 -2.527 -0.030 -13.208 1.00 0.00 N ATOM 0 H LYS A 82 1.927 -3.705 -11.618 1.00 0.00 H new ATOM 0 HA LYS A 82 0.630 -5.778 -12.980 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.455 -2.988 -13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.407 -4.032 -14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.269 -4.036 -13.013 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.205 -3.113 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.206 -1.267 -13.708 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.400 -2.178 -14.611 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.992 -2.049 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.787 -1.337 -11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.840 0.533 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.716 0.438 -13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.306 -0.111 -13.892 1.00 0.00 H new ATOM 1394 N ALA A 83 3.613 -4.978 -14.139 1.00 0.00 N ATOM 1395 CA ALA A 83 4.709 -5.431 -14.989 1.00 0.00 C ATOM 1396 C ALA A 83 5.280 -6.753 -14.484 1.00 0.00 C ATOM 1397 O ALA A 83 5.728 -7.592 -15.265 1.00 0.00 O ATOM 1398 CB ALA A 83 5.799 -4.374 -15.055 1.00 0.00 C ATOM 0 H ALA A 83 3.838 -4.170 -13.559 1.00 0.00 H new ATOM 0 HA ALA A 83 4.316 -5.592 -15.993 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.610 -4.727 -15.693 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.388 -3.452 -15.467 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.183 -4.184 -14.053 1.00 0.00 H new ATOM 1404 N ALA A 84 5.256 -6.927 -13.168 1.00 0.00 N ATOM 1405 CA ALA A 84 5.757 -8.143 -12.542 1.00 0.00 C ATOM 1406 C ALA A 84 4.862 -9.332 -12.865 1.00 0.00 C ATOM 1407 O ALA A 84 5.325 -10.471 -12.940 1.00 0.00 O ATOM 1408 CB ALA A 84 5.873 -7.953 -11.037 1.00 0.00 C ATOM 0 H ALA A 84 4.893 -6.237 -12.511 1.00 0.00 H new ATOM 0 HA ALA A 84 6.748 -8.350 -12.945 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.249 -8.870 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.561 -7.135 -10.826 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.892 -7.718 -10.623 1.00 0.00 H new ATOM 1414 N SER A 85 3.578 -9.057 -13.062 1.00 0.00 N ATOM 1415 CA SER A 85 2.611 -10.093 -13.380 1.00 0.00 C ATOM 1416 C SER A 85 2.754 -10.545 -14.837 1.00 0.00 C ATOM 1417 O SER A 85 1.919 -10.232 -15.689 1.00 0.00 O ATOM 1418 CB SER A 85 1.191 -9.591 -13.113 1.00 0.00 C ATOM 1419 OG SER A 85 1.057 -9.109 -11.782 1.00 0.00 O ATOM 0 H SER A 85 3.184 -8.118 -13.006 1.00 0.00 H new ATOM 0 HA SER A 85 2.806 -10.952 -12.738 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.945 -8.796 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.479 -10.399 -13.283 1.00 0.00 H new ATOM 0 HG SER A 85 1.587 -8.292 -11.675 1.00 0.00 H new ATOM 1425 N LYS A 86 3.841 -11.259 -15.113 1.00 0.00 N ATOM 1426 CA LYS A 86 4.117 -11.797 -16.437 1.00 0.00 C ATOM 1427 C LYS A 86 5.272 -12.787 -16.342 1.00 0.00 C ATOM 1428 O LYS A 86 5.111 -13.985 -16.587 1.00 0.00 O ATOM 1429 CB LYS A 86 4.466 -10.669 -17.415 1.00 0.00 C ATOM 1430 CG LYS A 86 4.550 -11.122 -18.862 1.00 0.00 C ATOM 1431 CD LYS A 86 4.744 -9.948 -19.810 1.00 0.00 C ATOM 1432 CE LYS A 86 3.667 -8.890 -19.620 1.00 0.00 C ATOM 1433 NZ LYS A 86 2.295 -9.436 -19.799 1.00 0.00 N ATOM 0 H LYS A 86 4.557 -11.480 -14.421 1.00 0.00 H new ATOM 0 HA LYS A 86 3.228 -12.306 -16.810 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.716 -9.883 -17.332 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.421 -10.230 -17.125 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.377 -11.822 -18.976 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.639 -11.658 -19.129 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.725 -9.503 -19.643 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.727 -10.305 -20.840 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.756 -8.460 -18.622 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.828 -8.080 -20.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.606 -8.657 -19.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.234 -9.927 -20.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.085 -10.106 -19.031 1.00 0.00 H new ATOM 1447 N GLN A 87 6.437 -12.279 -15.964 1.00 0.00 N ATOM 1448 CA GLN A 87 7.594 -13.122 -15.710 1.00 0.00 C ATOM 1449 C GLN A 87 8.039 -12.951 -14.261 1.00 0.00 C ATOM 1450 O GLN A 87 8.502 -11.886 -13.851 1.00 0.00 O ATOM 1451 CB GLN A 87 8.732 -12.811 -16.693 1.00 0.00 C ATOM 1452 CG GLN A 87 9.160 -11.353 -16.720 1.00 0.00 C ATOM 1453 CD GLN A 87 10.265 -11.089 -17.724 1.00 0.00 C ATOM 1454 OE1 GLN A 87 11.098 -10.203 -17.529 1.00 0.00 O ATOM 1455 NE2 GLN A 87 10.275 -11.844 -18.815 1.00 0.00 N ATOM 0 H GLN A 87 6.605 -11.282 -15.826 1.00 0.00 H new ATOM 0 HA GLN A 87 7.318 -14.165 -15.867 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.595 -13.425 -16.436 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.419 -13.104 -17.695 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.299 -10.730 -16.961 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.499 -11.059 -15.727 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.568 -12.568 -18.941 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.990 -11.700 -19.528 1.00 0.00 H new ATOM 1464 N GLY A 88 7.870 -14.003 -13.482 1.00 0.00 N ATOM 1465 CA GLY A 88 8.120 -13.917 -12.064 1.00 0.00 C ATOM 1466 C GLY A 88 9.567 -14.167 -11.698 1.00 0.00 C ATOM 1467 O GLY A 88 9.969 -15.308 -11.468 1.00 0.00 O ATOM 0 H GLY A 88 7.563 -14.919 -13.809 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.828 -12.929 -11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.491 -14.641 -11.546 1.00 0.00 H new ATOM 1471 N ASN A 89 10.355 -13.103 -11.675 1.00 0.00 N ATOM 1472 CA ASN A 89 11.721 -13.180 -11.171 1.00 0.00 C ATOM 1473 C ASN A 89 11.714 -12.867 -9.681 1.00 0.00 C ATOM 1474 O ASN A 89 11.431 -11.738 -9.281 1.00 0.00 O ATOM 1475 CB ASN A 89 12.640 -12.200 -11.908 1.00 0.00 C ATOM 1476 CG ASN A 89 14.078 -12.293 -11.428 1.00 0.00 C ATOM 1477 OD1 ASN A 89 14.463 -11.660 -10.445 1.00 0.00 O ATOM 1478 ND2 ASN A 89 14.887 -13.073 -12.125 1.00 0.00 N ATOM 0 H ASN A 89 10.075 -12.177 -11.998 1.00 0.00 H new ATOM 0 HA ASN A 89 12.104 -14.186 -11.341 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.602 -12.403 -12.978 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.275 -11.183 -11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.866 -13.165 -11.853 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.532 -13.583 -12.934 1.00 0.00 H new ATOM 1485 N ALA A 90 12.007 -13.875 -8.866 1.00 0.00 N ATOM 1486 CA ALA A 90 11.925 -13.754 -7.414 1.00 0.00 C ATOM 1487 C ALA A 90 12.825 -12.645 -6.875 1.00 0.00 C ATOM 1488 O ALA A 90 12.425 -11.894 -5.989 1.00 0.00 O ATOM 1489 CB ALA A 90 12.269 -15.080 -6.758 1.00 0.00 C ATOM 0 H ALA A 90 12.307 -14.794 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 90 10.898 -13.484 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.205 -14.978 -5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.568 -15.844 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.282 -15.371 -7.035 1.00 0.00 H new ATOM 1495 N GLU A 91 14.031 -12.532 -7.421 1.00 0.00 N ATOM 1496 CA GLU A 91 14.989 -11.540 -6.962 1.00 0.00 C ATOM 1497 C GLU A 91 14.472 -10.122 -7.197 1.00 0.00 C ATOM 1498 O GLU A 91 14.490 -9.284 -6.289 1.00 0.00 O ATOM 1499 CB GLU A 91 16.316 -11.743 -7.684 1.00 0.00 C ATOM 1500 CG GLU A 91 17.027 -13.034 -7.304 1.00 0.00 C ATOM 1501 CD GLU A 91 17.377 -13.096 -5.831 1.00 0.00 C ATOM 1502 OE1 GLU A 91 18.217 -12.288 -5.381 1.00 0.00 O ATOM 1503 OE2 GLU A 91 16.827 -13.963 -5.117 1.00 0.00 O ATOM 0 H GLU A 91 14.367 -13.119 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 91 15.133 -11.668 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.139 -11.739 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.971 -10.900 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.392 -13.882 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.938 -13.130 -7.894 1.00 0.00 H new ATOM 1510 N GLN A 92 14.000 -9.865 -8.408 1.00 0.00 N ATOM 1511 CA GLN A 92 13.430 -8.566 -8.754 1.00 0.00 C ATOM 1512 C GLN A 92 12.165 -8.301 -7.945 1.00 0.00 C ATOM 1513 O GLN A 92 11.945 -7.190 -7.466 1.00 0.00 O ATOM 1514 CB GLN A 92 13.109 -8.496 -10.249 1.00 0.00 C ATOM 1515 CG GLN A 92 14.336 -8.540 -11.150 1.00 0.00 C ATOM 1516 CD GLN A 92 15.246 -7.337 -10.971 1.00 0.00 C ATOM 1517 OE1 GLN A 92 14.795 -6.242 -10.636 1.00 0.00 O ATOM 1518 NE2 GLN A 92 16.533 -7.532 -11.206 1.00 0.00 N ATOM 0 H GLN A 92 14.000 -10.540 -9.172 1.00 0.00 H new ATOM 0 HA GLN A 92 14.170 -7.802 -8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.451 -9.326 -10.508 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.557 -7.577 -10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.900 -9.449 -10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.015 -8.594 -12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.867 -8.456 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.192 -6.759 -11.111 1.00 0.00 H new ATOM 1527 N PHE A 93 11.350 -9.337 -7.783 1.00 0.00 N ATOM 1528 CA PHE A 93 10.079 -9.212 -7.081 1.00 0.00 C ATOM 1529 C PHE A 93 10.306 -8.891 -5.606 1.00 0.00 C ATOM 1530 O PHE A 93 9.668 -7.999 -5.052 1.00 0.00 O ATOM 1531 CB PHE A 93 9.264 -10.499 -7.229 1.00 0.00 C ATOM 1532 CG PHE A 93 7.871 -10.406 -6.671 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.901 -9.658 -7.319 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.531 -11.076 -5.507 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.616 -9.577 -6.812 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.249 -10.997 -4.994 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.290 -10.247 -5.648 1.00 0.00 C ATOM 0 H PHE A 93 11.548 -10.276 -8.130 1.00 0.00 H new ATOM 0 HA PHE A 93 9.519 -8.390 -7.526 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.205 -10.760 -8.286 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.792 -11.311 -6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.151 -9.133 -8.229 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.276 -11.667 -4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.868 -8.991 -7.326 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.998 -11.521 -4.084 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.288 -10.185 -5.250 1.00 0.00 H new ATOM 1547 N ALA A 94 11.231 -9.610 -4.980 1.00 0.00 N ATOM 1548 CA ALA A 94 11.555 -9.380 -3.578 1.00 0.00 C ATOM 1549 C ALA A 94 12.101 -7.973 -3.373 1.00 0.00 C ATOM 1550 O ALA A 94 11.786 -7.311 -2.384 1.00 0.00 O ATOM 1551 CB ALA A 94 12.551 -10.413 -3.088 1.00 0.00 C ATOM 0 H ALA A 94 11.769 -10.356 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 94 10.639 -9.478 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.782 -10.227 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.123 -11.410 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.465 -10.346 -3.678 1.00 0.00 H new ATOM 1557 N SER A 95 12.911 -7.517 -4.319 1.00 0.00 N ATOM 1558 CA SER A 95 13.464 -6.180 -4.270 1.00 0.00 C ATOM 1559 C SER A 95 12.359 -5.139 -4.458 1.00 0.00 C ATOM 1560 O SER A 95 12.358 -4.092 -3.808 1.00 0.00 O ATOM 1561 CB SER A 95 14.529 -6.040 -5.348 1.00 0.00 C ATOM 1562 OG SER A 95 15.566 -6.989 -5.161 1.00 0.00 O ATOM 0 H SER A 95 13.198 -8.061 -5.133 1.00 0.00 H new ATOM 0 HA SER A 95 13.920 -6.010 -3.295 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.078 -6.177 -6.331 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.944 -5.032 -5.326 1.00 0.00 H new ATOM 0 HG SER A 95 15.288 -7.854 -5.528 1.00 0.00 H new ATOM 1568 N LEU A 96 11.411 -5.449 -5.338 1.00 0.00 N ATOM 1569 CA LEU A 96 10.264 -4.582 -5.582 1.00 0.00 C ATOM 1570 C LEU A 96 9.437 -4.426 -4.312 1.00 0.00 C ATOM 1571 O LEU A 96 9.071 -3.316 -3.925 1.00 0.00 O ATOM 1572 CB LEU A 96 9.389 -5.162 -6.698 1.00 0.00 C ATOM 1573 CG LEU A 96 8.178 -4.315 -7.085 1.00 0.00 C ATOM 1574 CD1 LEU A 96 8.629 -2.955 -7.589 1.00 0.00 C ATOM 1575 CD2 LEU A 96 7.352 -5.027 -8.146 1.00 0.00 C ATOM 0 H LEU A 96 11.416 -6.302 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 96 10.632 -3.603 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.008 -5.308 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.039 -6.147 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 96 7.556 -4.170 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.757 -2.361 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.186 -2.443 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.268 -3.084 -8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.493 -4.411 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.965 -5.196 -9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.006 -5.984 -7.756 1.00 0.00 H new ATOM 1587 N VAL A 97 9.164 -5.550 -3.666 1.00 0.00 N ATOM 1588 CA VAL A 97 8.389 -5.565 -2.435 1.00 0.00 C ATOM 1589 C VAL A 97 9.095 -4.784 -1.328 1.00 0.00 C ATOM 1590 O VAL A 97 8.447 -4.087 -0.548 1.00 0.00 O ATOM 1591 CB VAL A 97 8.106 -7.013 -1.978 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.442 -7.046 -0.609 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.235 -7.720 -3.004 1.00 0.00 C ATOM 0 H VAL A 97 9.471 -6.471 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 97 7.436 -5.077 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 97 9.060 -7.534 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.257 -8.080 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.096 -6.575 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.496 -6.506 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.040 -8.741 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.291 -7.186 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.749 -7.741 -3.965 1.00 0.00 H new ATOM 1603 N GLN A 98 10.421 -4.884 -1.273 1.00 0.00 N ATOM 1604 CA GLN A 98 11.194 -4.162 -0.262 1.00 0.00 C ATOM 1605 C GLN A 98 11.074 -2.652 -0.456 1.00 0.00 C ATOM 1606 O GLN A 98 10.921 -1.903 0.512 1.00 0.00 O ATOM 1607 CB GLN A 98 12.667 -4.577 -0.297 1.00 0.00 C ATOM 1608 CG GLN A 98 13.501 -3.922 0.795 1.00 0.00 C ATOM 1609 CD GLN A 98 14.953 -4.358 0.784 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.282 -5.478 0.388 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.834 -3.474 1.220 1.00 0.00 N ATOM 0 H GLN A 98 10.980 -5.452 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 98 10.782 -4.422 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.735 -5.660 -0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.087 -4.320 -1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.453 -2.839 0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.065 -4.158 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.521 -2.557 1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.826 -3.709 1.237 1.00 0.00 H new ATOM 1620 N GLN A 99 11.134 -2.204 -1.706 1.00 0.00 N ATOM 1621 CA GLN A 99 11.015 -0.781 -2.006 1.00 0.00 C ATOM 1622 C GLN A 99 9.586 -0.317 -1.733 1.00 0.00 C ATOM 1623 O GLN A 99 9.365 0.758 -1.172 1.00 0.00 O ATOM 1624 CB GLN A 99 11.411 -0.495 -3.460 1.00 0.00 C ATOM 1625 CG GLN A 99 12.237 0.777 -3.626 1.00 0.00 C ATOM 1626 CD GLN A 99 11.443 2.052 -3.391 1.00 0.00 C ATOM 1627 OE1 GLN A 99 10.254 2.127 -3.694 1.00 0.00 O ATOM 1628 NE2 GLN A 99 12.094 3.054 -2.821 1.00 0.00 N ATOM 0 H GLN A 99 11.263 -2.801 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 99 11.697 -0.226 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.979 -1.341 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.508 -0.414 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.077 0.748 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.656 0.800 -4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.081 2.952 -2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.609 3.928 -2.618 1.00 0.00 H new ATOM 1637 N HIS A 100 8.622 -1.153 -2.110 1.00 0.00 N ATOM 1638 CA HIS A 100 7.214 -0.888 -1.835 1.00 0.00 C ATOM 1639 C HIS A 100 6.995 -0.756 -0.327 1.00 0.00 C ATOM 1640 O HIS A 100 6.259 0.123 0.131 1.00 0.00 O ATOM 1641 CB HIS A 100 6.352 -2.027 -2.407 1.00 0.00 C ATOM 1642 CG HIS A 100 4.872 -1.818 -2.266 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.932 -2.808 -2.467 1.00 0.00 N ATOM 1644 CD2 HIS A 100 4.172 -0.699 -1.959 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.721 -2.270 -2.279 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.808 -0.988 -1.971 1.00 0.00 N ATOM 0 H HIS A 100 8.793 -2.025 -2.610 1.00 0.00 H new ATOM 0 HA HIS A 100 6.921 0.047 -2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.590 -2.150 -3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.624 -2.957 -1.908 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.126 -3.778 -2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.603 0.266 -1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.792 -2.814 -2.368 1.00 0.00 H new ATOM 1654 N LEU A 101 7.653 -1.625 0.431 1.00 0.00 N ATOM 1655 CA LEU A 101 7.582 -1.598 1.887 1.00 0.00 C ATOM 1656 C LEU A 101 8.034 -0.241 2.416 1.00 0.00 C ATOM 1657 O LEU A 101 7.366 0.363 3.255 1.00 0.00 O ATOM 1658 CB LEU A 101 8.453 -2.711 2.475 1.00 0.00 C ATOM 1659 CG LEU A 101 8.437 -2.828 4.000 1.00 0.00 C ATOM 1660 CD1 LEU A 101 7.059 -3.243 4.490 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.494 -3.816 4.463 1.00 0.00 C ATOM 0 H LEU A 101 8.248 -2.364 0.056 1.00 0.00 H new ATOM 0 HA LEU A 101 6.548 -1.761 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.130 -3.662 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.482 -2.552 2.152 1.00 0.00 H new ATOM 0 HG LEU A 101 8.668 -1.852 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.068 -3.321 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.325 -2.497 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.795 -4.209 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.472 -3.890 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.292 -4.795 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.478 -3.473 4.143 1.00 0.00 H new ATOM 1673 N GLN A 102 9.168 0.234 1.903 1.00 0.00 N ATOM 1674 CA GLN A 102 9.729 1.501 2.291 1.00 0.00 C ATOM 1675 C GLN A 102 8.736 2.643 2.078 1.00 0.00 C ATOM 1676 O GLN A 102 8.567 3.500 2.948 1.00 0.00 O ATOM 1677 CB GLN A 102 10.972 1.748 1.452 1.00 0.00 C ATOM 1678 CG GLN A 102 12.051 2.445 2.222 1.00 0.00 C ATOM 1679 CD GLN A 102 12.889 3.374 1.363 1.00 0.00 C ATOM 1680 OE1 GLN A 102 14.073 3.575 1.624 1.00 0.00 O ATOM 1681 NE2 GLN A 102 12.286 3.950 0.334 1.00 0.00 N ATOM 0 H GLN A 102 9.718 -0.263 1.202 1.00 0.00 H new ATOM 0 HA GLN A 102 9.974 1.469 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.351 0.796 1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.706 2.347 0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.599 3.017 3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.700 1.700 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.301 3.759 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.806 4.584 -0.272 1.00 0.00 H new ATOM 1690 N ASP A 103 8.078 2.637 0.927 1.00 0.00 N ATOM 1691 CA ASP A 103 7.119 3.681 0.587 1.00 0.00 C ATOM 1692 C ASP A 103 5.930 3.668 1.537 1.00 0.00 C ATOM 1693 O ASP A 103 5.503 4.718 2.016 1.00 0.00 O ATOM 1694 CB ASP A 103 6.625 3.520 -0.849 1.00 0.00 C ATOM 1695 CG ASP A 103 7.221 4.536 -1.806 1.00 0.00 C ATOM 1696 OD1 ASP A 103 8.249 5.166 -1.471 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.656 4.713 -2.907 1.00 0.00 O ATOM 0 H ASP A 103 8.191 1.919 0.211 1.00 0.00 H new ATOM 0 HA ASP A 103 7.634 4.637 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.867 2.516 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.539 3.610 -0.865 1.00 0.00 H new ATOM 1702 N GLU A 104 5.402 2.481 1.818 1.00 0.00 N ATOM 1703 CA GLU A 104 4.259 2.353 2.719 1.00 0.00 C ATOM 1704 C GLU A 104 4.632 2.816 4.123 1.00 0.00 C ATOM 1705 O GLU A 104 3.836 3.454 4.807 1.00 0.00 O ATOM 1706 CB GLU A 104 3.741 0.911 2.755 1.00 0.00 C ATOM 1707 CG GLU A 104 3.280 0.383 1.404 1.00 0.00 C ATOM 1708 CD GLU A 104 2.188 1.220 0.761 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.638 2.139 1.420 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.868 0.967 -0.420 1.00 0.00 O ATOM 0 H GLU A 104 5.744 1.598 1.438 1.00 0.00 H new ATOM 0 HA GLU A 104 3.460 2.990 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.529 0.262 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.911 0.852 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.136 0.339 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.918 -0.638 1.527 1.00 0.00 H new ATOM 1717 N GLN A 105 5.858 2.506 4.541 1.00 0.00 N ATOM 1718 CA GLN A 105 6.360 2.953 5.825 1.00 0.00 C ATOM 1719 C GLN A 105 6.413 4.475 5.874 1.00 0.00 C ATOM 1720 O GLN A 105 6.123 5.081 6.901 1.00 0.00 O ATOM 1721 CB GLN A 105 7.750 2.377 6.082 1.00 0.00 C ATOM 1722 CG GLN A 105 7.769 0.876 6.320 1.00 0.00 C ATOM 1723 CD GLN A 105 9.158 0.353 6.641 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.497 -0.787 6.322 1.00 0.00 O ATOM 1725 NE2 GLN A 105 9.974 1.172 7.288 1.00 0.00 N ATOM 0 H GLN A 105 6.518 1.945 4.003 1.00 0.00 H new ATOM 0 HA GLN A 105 5.682 2.598 6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.389 2.606 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.183 2.876 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.095 0.634 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.389 0.367 5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.662 2.111 7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.914 0.864 7.536 1.00 0.00 H new ATOM 1734 N ARG A 106 6.773 5.084 4.751 1.00 0.00 N ATOM 1735 CA ARG A 106 6.853 6.535 4.663 1.00 0.00 C ATOM 1736 C ARG A 106 5.453 7.143 4.665 1.00 0.00 C ATOM 1737 O ARG A 106 5.250 8.247 5.169 1.00 0.00 O ATOM 1738 CB ARG A 106 7.617 6.948 3.406 1.00 0.00 C ATOM 1739 CG ARG A 106 8.293 8.304 3.527 1.00 0.00 C ATOM 1740 CD ARG A 106 9.298 8.309 4.669 1.00 0.00 C ATOM 1741 NE ARG A 106 10.053 9.556 4.754 1.00 0.00 N ATOM 1742 CZ ARG A 106 10.720 9.941 5.843 1.00 0.00 C ATOM 1743 NH1 ARG A 106 10.652 9.204 6.949 1.00 0.00 N ATOM 1744 NH2 ARG A 106 11.441 11.053 5.828 1.00 0.00 N ATOM 0 H ARG A 106 7.014 4.595 3.889 1.00 0.00 H new ATOM 0 HA ARG A 106 7.393 6.910 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.371 6.193 3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.928 6.968 2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.797 8.548 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.542 9.076 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.773 8.143 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.991 7.478 4.540 1.00 0.00 H new ATOM 0 HE ARG A 106 10.071 10.166 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.093 8.351 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.159 9.492 7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.488 11.619 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.949 11.343 6.664 1.00 0.00 H new ATOM 1758 N HIS A 107 4.495 6.421 4.089 1.00 0.00 N ATOM 1759 CA HIS A 107 3.090 6.822 4.147 1.00 0.00 C ATOM 1760 C HIS A 107 2.627 6.858 5.600 1.00 0.00 C ATOM 1761 O HIS A 107 1.988 7.812 6.040 1.00 0.00 O ATOM 1762 CB HIS A 107 2.205 5.858 3.343 1.00 0.00 C ATOM 1763 CG HIS A 107 2.405 5.920 1.855 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.901 4.945 1.014 1.00 0.00 N ATOM 1765 CD2 HIS A 107 3.038 6.862 1.112 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.243 5.325 -0.211 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.930 6.474 -0.199 1.00 0.00 N ATOM 0 H HIS A 107 4.665 5.555 3.577 1.00 0.00 H new ATOM 0 HA HIS A 107 2.998 7.815 3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.399 4.840 3.681 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.160 6.074 3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.532 7.748 1.482 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.997 4.775 -1.107 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.302 6.967 -1.011 1.00 0.00 H new ATOM 1775 N VAL A 108 2.968 5.808 6.340 1.00 0.00 N ATOM 1776 CA VAL A 108 2.667 5.735 7.765 1.00 0.00 C ATOM 1777 C VAL A 108 3.381 6.855 8.522 1.00 0.00 C ATOM 1778 O VAL A 108 2.809 7.475 9.422 1.00 0.00 O ATOM 1779 CB VAL A 108 3.078 4.364 8.348 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.826 4.300 9.847 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.338 3.241 7.638 1.00 0.00 C ATOM 0 H VAL A 108 3.456 4.991 5.973 1.00 0.00 H new ATOM 0 HA VAL A 108 1.590 5.855 7.885 1.00 0.00 H new ATOM 0 HB VAL A 108 4.148 4.240 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.126 3.323 10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.406 5.076 10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.765 4.456 10.045 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.639 2.283 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.264 3.374 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.580 3.261 6.575 1.00 0.00 H new ATOM 1791 N GLU A 109 4.627 7.115 8.136 1.00 0.00 N ATOM 1792 CA GLU A 109 5.412 8.199 8.710 1.00 0.00 C ATOM 1793 C GLU A 109 4.707 9.543 8.536 1.00 0.00 C ATOM 1794 O GLU A 109 4.675 10.357 9.453 1.00 0.00 O ATOM 1795 CB GLU A 109 6.791 8.242 8.051 1.00 0.00 C ATOM 1796 CG GLU A 109 7.758 7.197 8.580 1.00 0.00 C ATOM 1797 CD GLU A 109 8.122 7.427 10.033 1.00 0.00 C ATOM 1798 OE1 GLU A 109 7.400 6.932 10.919 1.00 0.00 O ATOM 1799 OE2 GLU A 109 9.134 8.108 10.293 1.00 0.00 O ATOM 0 H GLU A 109 5.118 6.581 7.419 1.00 0.00 H new ATOM 0 HA GLU A 109 5.524 8.013 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.674 8.104 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.223 9.231 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.314 6.208 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.665 7.207 7.976 1.00 0.00 H new ATOM 1806 N GLU A 110 4.133 9.759 7.364 1.00 0.00 N ATOM 1807 CA GLU A 110 3.421 11.001 7.074 1.00 0.00 C ATOM 1808 C GLU A 110 2.257 11.178 8.051 1.00 0.00 C ATOM 1809 O GLU A 110 2.080 12.245 8.642 1.00 0.00 O ATOM 1810 CB GLU A 110 2.901 10.972 5.630 1.00 0.00 C ATOM 1811 CG GLU A 110 3.089 12.275 4.859 1.00 0.00 C ATOM 1812 CD GLU A 110 2.300 13.437 5.433 1.00 0.00 C ATOM 1813 OE1 GLU A 110 1.059 13.442 5.312 1.00 0.00 O ATOM 1814 OE2 GLU A 110 2.923 14.373 5.982 1.00 0.00 O ATOM 0 H GLU A 110 4.144 9.091 6.593 1.00 0.00 H new ATOM 0 HA GLU A 110 4.104 11.842 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.407 10.171 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.840 10.724 5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.148 12.534 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.791 12.121 3.822 1.00 0.00 H new ATOM 1821 N ILE A 111 1.493 10.108 8.236 1.00 0.00 N ATOM 1822 CA ILE A 111 0.281 10.144 9.046 1.00 0.00 C ATOM 1823 C ILE A 111 0.563 10.216 10.552 1.00 0.00 C ATOM 1824 O ILE A 111 0.037 11.087 11.245 1.00 0.00 O ATOM 1825 CB ILE A 111 -0.606 8.910 8.765 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -0.929 8.814 7.271 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -1.892 8.975 9.583 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.698 7.566 6.892 1.00 0.00 C ATOM 0 H ILE A 111 1.695 9.194 7.831 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.238 11.058 8.758 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.055 8.017 9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.508 9.690 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.002 8.842 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.503 8.097 9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.647 8.999 10.645 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.446 9.875 9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.890 7.569 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.113 6.684 7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.646 7.545 7.430 1.00 0.00 H new ATOM 1840 N GLU A 112 1.412 9.325 11.055 1.00 0.00 N ATOM 1841 CA GLU A 112 1.534 9.117 12.489 1.00 0.00 C ATOM 1842 C GLU A 112 2.119 10.312 13.241 1.00 0.00 C ATOM 1843 O GLU A 112 1.766 10.540 14.396 1.00 0.00 O ATOM 1844 CB GLU A 112 2.355 7.870 12.778 1.00 0.00 C ATOM 1845 CG GLU A 112 1.568 6.577 12.630 1.00 0.00 C ATOM 1846 CD GLU A 112 2.169 5.433 13.422 1.00 0.00 C ATOM 1847 OE1 GLU A 112 3.235 4.922 13.029 1.00 0.00 O ATOM 1848 OE2 GLU A 112 1.578 5.046 14.456 1.00 0.00 O ATOM 0 H GLU A 112 2.024 8.737 10.489 1.00 0.00 H new ATOM 0 HA GLU A 112 0.516 8.990 12.858 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.211 7.844 12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.750 7.932 13.792 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.542 6.741 12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.525 6.301 11.576 1.00 0.00 H new ATOM 1855 N LYS A 113 3.013 11.067 12.618 1.00 0.00 N ATOM 1856 CA LYS A 113 3.584 12.231 13.289 1.00 0.00 C ATOM 1857 C LYS A 113 3.038 13.531 12.704 1.00 0.00 C ATOM 1858 O LYS A 113 3.669 14.587 12.793 1.00 0.00 O ATOM 1859 CB LYS A 113 5.126 12.217 13.276 1.00 0.00 C ATOM 1860 CG LYS A 113 5.760 11.670 12.007 1.00 0.00 C ATOM 1861 CD LYS A 113 5.971 10.162 12.083 1.00 0.00 C ATOM 1862 CE LYS A 113 7.018 9.782 13.118 1.00 0.00 C ATOM 1863 NZ LYS A 113 7.236 8.313 13.159 1.00 0.00 N ATOM 0 H LYS A 113 3.354 10.902 11.671 1.00 0.00 H new ATOM 0 HA LYS A 113 3.276 12.176 14.333 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.484 13.235 13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.475 11.624 14.122 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.125 11.905 11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.717 12.163 11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.027 9.676 12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.277 9.789 11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.958 10.284 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.703 10.132 14.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.212 8.115 13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.573 7.882 13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.075 7.912 12.213 1.00 0.00 H new ATOM 1877 N LYS A 114 1.842 13.452 12.137 1.00 0.00 N ATOM 1878 CA LYS A 114 1.129 14.634 11.672 1.00 0.00 C ATOM 1879 C LYS A 114 0.058 15.026 12.696 1.00 0.00 C ATOM 1880 O LYS A 114 -0.300 14.223 13.561 1.00 0.00 O ATOM 1881 CB LYS A 114 0.509 14.372 10.291 1.00 0.00 C ATOM 1882 CG LYS A 114 -0.423 15.471 9.799 1.00 0.00 C ATOM 1883 CD LYS A 114 -0.717 15.344 8.316 1.00 0.00 C ATOM 1884 CE LYS A 114 0.432 15.876 7.476 1.00 0.00 C ATOM 1885 NZ LYS A 114 0.137 15.792 6.022 1.00 0.00 N ATOM 0 H LYS A 114 1.342 12.575 11.987 1.00 0.00 H new ATOM 0 HA LYS A 114 1.829 15.463 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.312 14.242 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.044 13.433 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.358 15.432 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.027 16.444 9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.898 14.298 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.629 15.891 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.631 16.913 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.337 15.309 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.872 16.300 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.123 14.795 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.790 16.223 5.830 1.00 0.00 H new ATOM 1899 N ASN A 115 -0.420 16.261 12.626 1.00 0.00 N ATOM 1900 CA ASN A 115 -1.447 16.741 13.537 1.00 0.00 C ATOM 1901 C ASN A 115 -2.621 17.310 12.746 1.00 0.00 C ATOM 1902 O ASN A 115 -2.378 18.086 11.794 1.00 0.00 O ATOM 1903 CB ASN A 115 -0.873 17.788 14.503 1.00 0.00 C ATOM 1904 CG ASN A 115 -0.402 19.055 13.813 1.00 0.00 C ATOM 1905 OD1 ASN A 115 -1.138 20.036 13.719 1.00 0.00 O ATOM 1906 ND2 ASN A 115 0.836 19.048 13.336 1.00 0.00 N ATOM 1907 OXT ASN A 115 -3.776 16.969 13.068 1.00 0.00 O ATOM 0 H ASN A 115 -0.110 16.952 11.943 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.806 15.903 14.134 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.634 18.046 15.240 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -0.038 17.349 15.048 1.00 0.00 H new ATOM 0 HD21 ASN A 115 1.208 19.876 12.872 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.415 18.214 13.434 1.00 0.00 H new TER 1914 ASN A 115 HETATM 1915 ZN ZN A 300 1.247 0.814 -1.898 1.00 0.00 ZN HETATM 1916 ZN ZN A 400 0.454 3.211 1.397 1.00 0.00 ZN