USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1098 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 77:sc= -1.72! USER MOD Set 1.2: A 100 GLN : amide:sc= 0.16! C(o=-1.6!,f=-4.8!) USER MOD Set 2.1: A 70 GLN : amide:sc= 0.365 K(o=1,f=-9.8!) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 91 LYS NZ :NH3+ -143:sc= 0.658 (180deg=-0.0498) USER MOD Set 3.1: A 72 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.32) USER MOD Set 3.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0896 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc=-0.00783 (180deg=-0.117) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc=-0.00152 (180deg=-0.0702) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.0491 (180deg=-0.247) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0469 X(o=-0.047,f=-0.047) USER MOD Single : A 21 SER OG : rot 108:sc= 0.853 USER MOD Single : A 26 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.24) USER MOD Single : A 46 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.85) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.0568 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -0.111 (180deg=-0.511) USER MOD Single : A 50 THR OG1 : rot -99:sc= 0.725 USER MOD Single : A 51 GLN : amide:sc= 1.03 K(o=1,f=-5.2!) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0168 (180deg=-0.217) USER MOD Single : A 58 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= 0.19 (180deg=-0.357) USER MOD Single : A 80 ASN : amide:sc=-0.000665 X(o=-0.00067,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 84 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.0902) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.099) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 44:sc= 1.21 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 106 SER OG : rot 180:sc= -1.12 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc=-0.00814 (180deg=-0.0893) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 31:sc= 0.104 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 121 SER OG : rot -140:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 145:sc= -0.309 (180deg=-0.525) USER MOD Single : A 124 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0725) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 160:sc= 0.66 (180deg=0.457) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 133 LYS NZ :NH3+ -139:sc= 0.409 (180deg=-0.186) USER MOD Single : A 134 MET CE :methyl -163:sc= -0.101 (180deg=-0.525) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -46.959 46.428 -3.444 1.00 0.00 N ATOM 2 CA GLY A 1 -47.021 46.230 -1.982 1.00 0.00 C ATOM 3 C GLY A 1 -46.917 44.771 -1.612 1.00 0.00 C ATOM 4 O GLY A 1 -46.706 43.920 -2.479 1.00 0.00 O ATOM 0 H1 GLY A 1 -46.242 47.148 -3.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 -46.704 45.531 -3.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.887 46.744 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.213 46.785 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.957 46.637 -1.599 1.00 0.00 H new ATOM 10 N LYS A 2 -47.061 44.469 -0.336 1.00 0.00 N ATOM 11 CA LYS A 2 -46.972 43.093 0.116 1.00 0.00 C ATOM 12 C LYS A 2 -48.347 42.526 0.446 1.00 0.00 C ATOM 13 O LYS A 2 -48.520 41.315 0.554 1.00 0.00 O ATOM 14 CB LYS A 2 -46.022 42.963 1.316 1.00 0.00 C ATOM 15 CG LYS A 2 -46.371 43.843 2.505 1.00 0.00 C ATOM 16 CD LYS A 2 -45.397 43.618 3.650 1.00 0.00 C ATOM 17 CE LYS A 2 -45.710 44.503 4.845 1.00 0.00 C ATOM 18 NZ LYS A 2 -45.527 45.944 4.534 1.00 0.00 N ATOM 0 H LYS A 2 -47.239 45.151 0.401 1.00 0.00 H new ATOM 0 HA LYS A 2 -46.559 42.506 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -46.012 41.923 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -45.011 43.204 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -46.351 44.891 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -47.386 43.626 2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -45.431 42.572 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -44.382 43.817 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -46.737 44.329 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -45.065 44.227 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -45.584 46.499 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -44.596 46.089 4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -46.272 46.255 3.879 1.00 0.00 H new ATOM 32 N LYS A 3 -49.326 43.400 0.594 1.00 0.00 N ATOM 33 CA LYS A 3 -50.676 42.965 0.895 1.00 0.00 C ATOM 34 C LYS A 3 -51.635 43.253 -0.245 1.00 0.00 C ATOM 35 O LYS A 3 -52.197 44.340 -0.338 1.00 0.00 O ATOM 36 CB LYS A 3 -51.200 43.597 2.181 1.00 0.00 C ATOM 37 CG LYS A 3 -50.659 42.975 3.452 1.00 0.00 C ATOM 38 CD LYS A 3 -51.332 43.575 4.671 1.00 0.00 C ATOM 39 CE LYS A 3 -50.927 42.862 5.939 1.00 0.00 C ATOM 40 NZ LYS A 3 -51.545 43.481 7.136 1.00 0.00 N ATOM 0 H LYS A 3 -49.212 44.410 0.511 1.00 0.00 H new ATOM 0 HA LYS A 3 -50.623 41.885 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -50.952 44.658 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -52.288 43.524 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -50.823 41.897 3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -49.582 43.133 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -51.072 44.631 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -52.414 43.521 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -51.222 41.814 5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -49.842 42.883 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -51.245 42.965 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -51.244 44.474 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -52.581 43.439 7.053 1.00 0.00 H new ATOM 54 N GLU A 4 -51.795 42.293 -1.119 1.00 0.00 N ATOM 55 CA GLU A 4 -52.773 42.389 -2.186 1.00 0.00 C ATOM 56 C GLU A 4 -53.868 41.377 -1.938 1.00 0.00 C ATOM 57 O GLU A 4 -55.045 41.721 -1.841 1.00 0.00 O ATOM 58 CB GLU A 4 -52.125 42.158 -3.550 1.00 0.00 C ATOM 59 CG GLU A 4 -51.374 43.362 -4.095 1.00 0.00 C ATOM 60 CD GLU A 4 -52.290 44.541 -4.364 1.00 0.00 C ATOM 61 OE1 GLU A 4 -52.481 45.373 -3.463 1.00 0.00 O ATOM 62 OE2 GLU A 4 -52.835 44.631 -5.485 1.00 0.00 O ATOM 0 H GLU A 4 -51.258 41.426 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 4 -53.196 43.393 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -51.435 41.317 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -52.898 41.873 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -50.603 43.659 -3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -50.865 43.083 -5.018 1.00 0.00 H new ATOM 69 N LYS A 5 -53.461 40.126 -1.816 1.00 0.00 N ATOM 70 CA LYS A 5 -54.368 39.036 -1.512 1.00 0.00 C ATOM 71 C LYS A 5 -53.629 37.952 -0.712 1.00 0.00 C ATOM 72 O LYS A 5 -53.318 36.878 -1.227 1.00 0.00 O ATOM 73 CB LYS A 5 -54.987 38.454 -2.803 1.00 0.00 C ATOM 74 CG LYS A 5 -53.967 37.970 -3.835 1.00 0.00 C ATOM 75 CD LYS A 5 -54.650 37.330 -5.030 1.00 0.00 C ATOM 76 CE LYS A 5 -53.642 36.699 -5.983 1.00 0.00 C ATOM 77 NZ LYS A 5 -52.653 37.684 -6.494 1.00 0.00 N ATOM 0 H LYS A 5 -52.489 39.838 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 5 -55.187 39.419 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -55.637 37.621 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -55.617 39.215 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -53.358 38.810 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -53.291 37.251 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -55.350 36.569 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -55.233 38.082 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -53.117 35.893 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -54.172 36.251 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -52.076 37.242 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -53.154 38.507 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -52.037 37.993 -5.715 1.00 0.00 H new ATOM 91 N PRO A 6 -53.314 38.230 0.559 1.00 0.00 N ATOM 92 CA PRO A 6 -52.576 37.306 1.409 1.00 0.00 C ATOM 93 C PRO A 6 -53.513 36.324 2.101 1.00 0.00 C ATOM 94 O PRO A 6 -54.460 35.819 1.488 1.00 0.00 O ATOM 95 CB PRO A 6 -51.955 38.276 2.405 1.00 0.00 C ATOM 96 CG PRO A 6 -53.068 39.198 2.672 1.00 0.00 C ATOM 97 CD PRO A 6 -53.667 39.471 1.310 1.00 0.00 C ATOM 0 HA PRO A 6 -51.859 36.676 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -51.618 37.771 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -51.090 38.791 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -53.800 38.752 3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -52.718 40.116 3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -54.745 39.623 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -53.241 40.362 0.848 1.00 0.00 H new ATOM 105 N GLU A 7 -53.254 36.089 3.367 1.00 0.00 N ATOM 106 CA GLU A 7 -54.016 35.142 4.174 1.00 0.00 C ATOM 107 C GLU A 7 -53.898 33.727 3.608 1.00 0.00 C ATOM 108 O GLU A 7 -54.786 33.242 2.899 1.00 0.00 O ATOM 109 CB GLU A 7 -55.486 35.570 4.289 1.00 0.00 C ATOM 110 CG GLU A 7 -56.310 34.714 5.234 1.00 0.00 C ATOM 111 CD GLU A 7 -57.758 35.134 5.273 1.00 0.00 C ATOM 112 OE1 GLU A 7 -58.092 36.068 6.034 1.00 0.00 O ATOM 113 OE2 GLU A 7 -58.575 34.540 4.540 1.00 0.00 O ATOM 0 H GLU A 7 -52.502 36.551 3.878 1.00 0.00 H new ATOM 0 HA GLU A 7 -53.592 35.139 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -55.526 36.606 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -55.940 35.539 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -56.245 33.671 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -55.889 34.776 6.237 1.00 0.00 H new ATOM 120 N LYS A 8 -52.776 33.095 3.893 1.00 0.00 N ATOM 121 CA LYS A 8 -52.514 31.745 3.445 1.00 0.00 C ATOM 122 C LYS A 8 -51.350 31.150 4.232 1.00 0.00 C ATOM 123 O LYS A 8 -51.560 30.328 5.119 1.00 0.00 O ATOM 124 CB LYS A 8 -52.226 31.716 1.935 1.00 0.00 C ATOM 125 CG LYS A 8 -51.992 30.324 1.370 1.00 0.00 C ATOM 126 CD LYS A 8 -51.787 30.366 -0.135 1.00 0.00 C ATOM 127 CE LYS A 8 -51.511 28.981 -0.701 1.00 0.00 C ATOM 128 NZ LYS A 8 -50.261 28.393 -0.150 1.00 0.00 N ATOM 0 H LYS A 8 -52.021 33.505 4.442 1.00 0.00 H new ATOM 0 HA LYS A 8 -53.402 31.139 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -53.064 32.173 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -51.349 32.330 1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -51.118 29.878 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -52.844 29.686 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -52.673 30.785 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -50.955 31.029 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -52.351 28.323 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -51.435 29.041 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -49.991 27.561 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -49.499 29.099 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -50.418 28.107 0.838 1.00 0.00 H new ATOM 142 N LYS A 9 -50.127 31.600 3.914 1.00 0.00 N ATOM 143 CA LYS A 9 -48.894 31.145 4.583 1.00 0.00 C ATOM 144 C LYS A 9 -48.579 29.680 4.281 1.00 0.00 C ATOM 145 O LYS A 9 -49.451 28.816 4.325 1.00 0.00 O ATOM 146 CB LYS A 9 -48.969 31.360 6.094 1.00 0.00 C ATOM 147 CG LYS A 9 -47.703 30.970 6.833 1.00 0.00 C ATOM 148 CD LYS A 9 -47.882 31.080 8.330 1.00 0.00 C ATOM 149 CE LYS A 9 -46.608 30.712 9.060 1.00 0.00 C ATOM 150 NZ LYS A 9 -46.788 30.732 10.528 1.00 0.00 N ATOM 0 H LYS A 9 -49.962 32.292 3.183 1.00 0.00 H new ATOM 0 HA LYS A 9 -48.084 31.753 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -49.185 32.410 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -49.803 30.783 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -47.428 29.948 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -46.882 31.612 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -48.173 32.098 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -48.691 30.425 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -46.284 29.719 8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -45.816 31.408 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -45.893 30.475 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -47.072 31.686 10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -47.526 30.050 10.797 1.00 0.00 H new ATOM 164 N VAL A 10 -47.328 29.412 3.996 1.00 0.00 N ATOM 165 CA VAL A 10 -46.885 28.060 3.693 1.00 0.00 C ATOM 166 C VAL A 10 -46.152 27.452 4.876 1.00 0.00 C ATOM 167 O VAL A 10 -45.439 28.145 5.607 1.00 0.00 O ATOM 168 CB VAL A 10 -45.986 28.021 2.431 1.00 0.00 C ATOM 169 CG1 VAL A 10 -44.810 28.981 2.564 1.00 0.00 C ATOM 170 CG2 VAL A 10 -45.492 26.606 2.138 1.00 0.00 C ATOM 0 H VAL A 10 -46.588 30.114 3.966 1.00 0.00 H new ATOM 0 HA VAL A 10 -47.777 27.467 3.489 1.00 0.00 H new ATOM 0 HB VAL A 10 -46.598 28.343 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -44.197 28.932 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -45.183 29.997 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -44.208 28.701 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -44.865 26.617 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -44.912 26.240 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -46.346 25.949 1.973 1.00 0.00 H new ATOM 180 N LYS A 11 -46.340 26.166 5.062 1.00 0.00 N ATOM 181 CA LYS A 11 -45.706 25.446 6.155 1.00 0.00 C ATOM 182 C LYS A 11 -45.392 24.003 5.754 1.00 0.00 C ATOM 183 O LYS A 11 -46.254 23.124 5.810 1.00 0.00 O ATOM 184 CB LYS A 11 -46.580 25.486 7.425 1.00 0.00 C ATOM 185 CG LYS A 11 -48.021 25.031 7.215 1.00 0.00 C ATOM 186 CD LYS A 11 -48.773 24.946 8.531 1.00 0.00 C ATOM 187 CE LYS A 11 -50.186 24.425 8.326 1.00 0.00 C ATOM 188 NZ LYS A 11 -50.908 24.256 9.610 1.00 0.00 N ATOM 0 H LYS A 11 -46.932 25.587 4.467 1.00 0.00 H new ATOM 0 HA LYS A 11 -44.763 25.945 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -46.121 24.856 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -46.587 26.504 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -48.530 25.727 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -48.029 24.057 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -48.237 24.290 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -48.810 25.931 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -50.738 25.115 7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -50.148 23.469 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -51.867 23.899 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -50.396 23.578 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -50.968 25.173 10.098 1.00 0.00 H new ATOM 202 N LYS A 12 -44.163 23.767 5.329 1.00 0.00 N ATOM 203 CA LYS A 12 -43.745 22.436 4.920 1.00 0.00 C ATOM 204 C LYS A 12 -42.419 22.047 5.565 1.00 0.00 C ATOM 205 O LYS A 12 -41.386 21.935 4.896 1.00 0.00 O ATOM 206 CB LYS A 12 -43.660 22.324 3.387 1.00 0.00 C ATOM 207 CG LYS A 12 -45.008 22.450 2.679 1.00 0.00 C ATOM 208 CD LYS A 12 -45.964 21.343 3.106 1.00 0.00 C ATOM 209 CE LYS A 12 -47.339 21.517 2.485 1.00 0.00 C ATOM 210 NZ LYS A 12 -48.287 20.473 2.946 1.00 0.00 N ATOM 0 H LYS A 12 -43.436 24.479 5.258 1.00 0.00 H new ATOM 0 HA LYS A 12 -44.504 21.736 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -42.991 23.099 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -43.213 21.364 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -45.449 23.421 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -44.860 22.409 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -45.554 20.376 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -46.053 21.338 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -47.731 22.502 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -47.255 21.478 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -49.214 20.625 2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -47.926 19.534 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -48.387 20.527 3.980 1.00 0.00 H new ATOM 224 N SER A 13 -42.458 21.863 6.870 1.00 0.00 N ATOM 225 CA SER A 13 -41.298 21.430 7.632 1.00 0.00 C ATOM 226 C SER A 13 -41.682 20.204 8.438 1.00 0.00 C ATOM 227 O SER A 13 -41.078 19.877 9.462 1.00 0.00 O ATOM 228 CB SER A 13 -40.827 22.559 8.550 1.00 0.00 C ATOM 229 OG SER A 13 -40.602 23.750 7.805 1.00 0.00 O ATOM 0 H SER A 13 -43.295 22.009 7.435 1.00 0.00 H new ATOM 0 HA SER A 13 -40.477 21.178 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 13 -41.574 22.742 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 13 -39.909 22.263 9.058 1.00 0.00 H new ATOM 0 HG SER A 13 -40.303 24.462 8.409 1.00 0.00 H new ATOM 235 N ASP A 14 -42.677 19.524 7.923 1.00 0.00 N ATOM 236 CA ASP A 14 -43.269 18.362 8.549 1.00 0.00 C ATOM 237 C ASP A 14 -42.396 17.122 8.411 1.00 0.00 C ATOM 238 O ASP A 14 -41.646 16.990 7.445 1.00 0.00 O ATOM 239 CB ASP A 14 -44.629 18.110 7.898 1.00 0.00 C ATOM 240 CG ASP A 14 -45.202 16.733 8.190 1.00 0.00 C ATOM 241 OD1 ASP A 14 -45.898 16.576 9.210 1.00 0.00 O ATOM 242 OD2 ASP A 14 -44.973 15.807 7.379 1.00 0.00 O ATOM 0 H ASP A 14 -43.111 19.768 7.033 1.00 0.00 H new ATOM 0 HA ASP A 14 -43.373 18.560 9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -45.333 18.867 8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -44.533 18.232 6.819 1.00 0.00 H new ATOM 247 N CYS A 15 -42.445 16.275 9.444 1.00 0.00 N ATOM 248 CA CYS A 15 -41.839 14.952 9.464 1.00 0.00 C ATOM 249 C CYS A 15 -40.444 15.023 10.047 1.00 0.00 C ATOM 250 O CYS A 15 -40.229 14.673 11.210 1.00 0.00 O ATOM 251 CB CYS A 15 -41.861 14.286 8.067 1.00 0.00 C ATOM 252 SG CYS A 15 -41.722 12.472 8.086 1.00 0.00 S ATOM 0 H CYS A 15 -42.925 16.505 10.314 1.00 0.00 H new ATOM 0 HA CYS A 15 -42.438 14.311 10.111 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -42.788 14.560 7.564 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -41.043 14.693 7.473 1.00 0.00 H new ATOM 257 N GLY A 16 -39.508 15.481 9.267 1.00 0.00 N ATOM 258 CA GLY A 16 -38.159 15.642 9.730 1.00 0.00 C ATOM 259 C GLY A 16 -37.300 16.224 8.643 1.00 0.00 C ATOM 260 O GLY A 16 -37.764 16.388 7.508 1.00 0.00 O ATOM 0 H GLY A 16 -39.657 15.753 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -38.143 16.293 10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -37.757 14.678 10.043 1.00 0.00 H new ATOM 264 N GLU A 17 -36.068 16.535 8.964 1.00 0.00 N ATOM 265 CA GLU A 17 -35.161 17.091 8.009 1.00 0.00 C ATOM 266 C GLU A 17 -34.094 16.110 7.640 1.00 0.00 C ATOM 267 O GLU A 17 -33.925 15.074 8.279 1.00 0.00 O ATOM 268 CB GLU A 17 -34.486 18.322 8.548 1.00 0.00 C ATOM 269 CG GLU A 17 -35.420 19.469 8.870 1.00 0.00 C ATOM 270 CD GLU A 17 -34.675 20.695 9.331 1.00 0.00 C ATOM 271 OE1 GLU A 17 -34.014 20.633 10.383 1.00 0.00 O ATOM 272 OE2 GLU A 17 -34.744 21.729 8.641 1.00 0.00 O ATOM 0 H GLU A 17 -35.673 16.407 9.896 1.00 0.00 H new ATOM 0 HA GLU A 17 -35.755 17.346 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -33.939 18.053 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -33.751 18.664 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -36.010 19.715 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -36.121 19.159 9.645 1.00 0.00 H new ATOM 279 N TRP A 18 -33.409 16.432 6.584 1.00 0.00 N ATOM 280 CA TRP A 18 -32.286 15.693 6.134 1.00 0.00 C ATOM 281 C TRP A 18 -31.138 15.755 7.140 1.00 0.00 C ATOM 282 O TRP A 18 -30.747 16.835 7.589 1.00 0.00 O ATOM 283 CB TRP A 18 -31.841 16.276 4.819 1.00 0.00 C ATOM 284 CG TRP A 18 -32.847 16.099 3.747 1.00 0.00 C ATOM 285 CD1 TRP A 18 -33.720 17.027 3.288 1.00 0.00 C ATOM 286 CD2 TRP A 18 -33.100 14.910 3.017 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.503 16.487 2.305 1.00 0.00 N ATOM 288 CE2 TRP A 18 -34.137 15.180 2.116 1.00 0.00 C ATOM 289 CE3 TRP A 18 -32.540 13.645 3.041 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -34.631 14.218 1.238 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -33.021 12.683 2.176 1.00 0.00 C ATOM 292 CH2 TRP A 18 -34.057 12.972 1.283 1.00 0.00 C ATOM 0 H TRP A 18 -33.629 17.240 6.001 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.567 14.646 6.021 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -31.636 17.339 4.948 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -30.906 15.806 4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -33.788 18.044 3.646 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.239 16.977 1.796 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.738 13.414 3.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -35.433 14.443 0.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -32.591 11.693 2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -34.412 12.200 0.616 1.00 0.00 H new ATOM 303 N GLN A 19 -30.620 14.600 7.490 1.00 0.00 N ATOM 304 CA GLN A 19 -29.480 14.495 8.366 1.00 0.00 C ATOM 305 C GLN A 19 -28.235 14.569 7.517 1.00 0.00 C ATOM 306 O GLN A 19 -28.177 13.964 6.447 1.00 0.00 O ATOM 307 CB GLN A 19 -29.509 13.180 9.143 1.00 0.00 C ATOM 308 CG GLN A 19 -30.778 12.966 9.948 1.00 0.00 C ATOM 309 CD GLN A 19 -31.009 14.041 10.994 1.00 0.00 C ATOM 310 OE1 GLN A 19 -31.657 15.055 10.733 1.00 0.00 O ATOM 311 NE2 GLN A 19 -30.481 13.831 12.178 1.00 0.00 N ATOM 0 H GLN A 19 -30.982 13.701 7.171 1.00 0.00 H new ATOM 0 HA GLN A 19 -29.497 15.307 9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -29.392 12.353 8.442 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -28.654 13.150 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -31.631 12.938 9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -30.730 11.994 10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -29.951 12.978 12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -30.601 14.521 12.920 1.00 0.00 H new ATOM 320 N TRP A 20 -27.250 15.292 7.972 1.00 0.00 N ATOM 321 CA TRP A 20 -26.069 15.509 7.165 1.00 0.00 C ATOM 322 C TRP A 20 -24.859 14.791 7.714 1.00 0.00 C ATOM 323 O TRP A 20 -24.472 14.979 8.867 1.00 0.00 O ATOM 324 CB TRP A 20 -25.792 17.002 6.997 1.00 0.00 C ATOM 325 CG TRP A 20 -26.886 17.714 6.268 1.00 0.00 C ATOM 326 CD1 TRP A 20 -27.608 18.773 6.717 1.00 0.00 C ATOM 327 CD2 TRP A 20 -27.395 17.400 4.963 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.529 19.149 5.771 1.00 0.00 N ATOM 329 CE2 TRP A 20 -28.420 18.320 4.686 1.00 0.00 C ATOM 330 CE3 TRP A 20 -27.079 16.431 4.002 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -29.135 18.303 3.491 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -27.789 16.413 2.817 1.00 0.00 C ATOM 333 CH2 TRP A 20 -28.807 17.344 2.571 1.00 0.00 C ATOM 0 H TRP A 20 -27.235 15.740 8.888 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.270 15.083 6.182 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.661 17.456 7.979 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.855 17.135 6.457 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -27.477 19.249 7.677 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.189 19.922 5.862 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -26.295 15.711 4.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -29.919 19.020 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -27.556 15.670 2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -29.345 17.304 1.635 1.00 0.00 H new ATOM 344 N SER A 21 -24.265 13.968 6.873 1.00 0.00 N ATOM 345 CA SER A 21 -23.083 13.220 7.224 1.00 0.00 C ATOM 346 C SER A 21 -21.883 13.823 6.503 1.00 0.00 C ATOM 347 O SER A 21 -22.055 14.649 5.595 1.00 0.00 O ATOM 348 CB SER A 21 -23.259 11.757 6.816 1.00 0.00 C ATOM 349 OG SER A 21 -24.517 11.252 7.253 1.00 0.00 O ATOM 0 H SER A 21 -24.594 13.801 5.922 1.00 0.00 H new ATOM 0 HA SER A 21 -22.921 13.267 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 21 -23.184 11.667 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 21 -22.455 11.158 7.243 1.00 0.00 H new ATOM 0 HG SER A 21 -25.113 11.146 6.482 1.00 0.00 H new ATOM 355 N VAL A 22 -20.684 13.420 6.879 1.00 0.00 N ATOM 356 CA VAL A 22 -19.493 13.946 6.242 1.00 0.00 C ATOM 357 C VAL A 22 -19.013 13.006 5.148 1.00 0.00 C ATOM 358 O VAL A 22 -19.274 11.796 5.189 1.00 0.00 O ATOM 359 CB VAL A 22 -18.347 14.199 7.255 1.00 0.00 C ATOM 360 CG1 VAL A 22 -18.751 15.258 8.267 1.00 0.00 C ATOM 361 CG2 VAL A 22 -17.940 12.912 7.958 1.00 0.00 C ATOM 0 H VAL A 22 -20.510 12.736 7.616 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.767 14.906 5.804 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.483 14.564 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.933 15.421 8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.975 16.190 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.635 14.924 8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.135 13.121 8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.796 12.505 8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.597 12.187 7.220 1.00 0.00 H new ATOM 371 N CYS A 23 -18.340 13.567 4.169 1.00 0.00 N ATOM 372 CA CYS A 23 -17.848 12.815 3.033 1.00 0.00 C ATOM 373 C CYS A 23 -16.764 11.832 3.435 1.00 0.00 C ATOM 374 O CYS A 23 -15.803 12.194 4.117 1.00 0.00 O ATOM 375 CB CYS A 23 -17.296 13.765 1.978 1.00 0.00 C ATOM 376 SG CYS A 23 -18.512 14.945 1.316 1.00 0.00 S ATOM 0 H CYS A 23 -18.117 14.562 4.137 1.00 0.00 H new ATOM 0 HA CYS A 23 -18.688 12.251 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -16.464 14.323 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -16.892 13.177 1.153 1.00 0.00 H new ATOM 381 N VAL A 24 -16.923 10.597 3.015 1.00 0.00 N ATOM 382 CA VAL A 24 -15.930 9.580 3.263 1.00 0.00 C ATOM 383 C VAL A 24 -15.225 9.214 1.955 1.00 0.00 C ATOM 384 O VAL A 24 -15.841 8.666 1.040 1.00 0.00 O ATOM 385 CB VAL A 24 -16.537 8.313 3.934 1.00 0.00 C ATOM 386 CG1 VAL A 24 -16.972 8.628 5.351 1.00 0.00 C ATOM 387 CG2 VAL A 24 -17.716 7.767 3.134 1.00 0.00 C ATOM 0 H VAL A 24 -17.739 10.272 2.496 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.203 9.990 3.964 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.763 7.546 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.395 7.734 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.111 8.960 5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.724 9.417 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -18.115 6.883 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -18.494 8.528 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.383 7.500 2.131 1.00 0.00 H new ATOM 397 N PRO A 25 -13.938 9.569 1.824 1.00 0.00 N ATOM 398 CA PRO A 25 -13.160 9.266 0.624 1.00 0.00 C ATOM 399 C PRO A 25 -12.893 7.775 0.489 1.00 0.00 C ATOM 400 O PRO A 25 -12.916 7.038 1.477 1.00 0.00 O ATOM 401 CB PRO A 25 -11.837 10.024 0.837 1.00 0.00 C ATOM 402 CG PRO A 25 -12.086 10.948 1.985 1.00 0.00 C ATOM 403 CD PRO A 25 -13.146 10.298 2.819 1.00 0.00 C ATOM 0 HA PRO A 25 -13.685 9.559 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.021 9.335 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.554 10.578 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.176 11.104 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.412 11.927 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.719 9.629 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.747 11.033 3.355 1.00 0.00 H new ATOM 411 N THR A 26 -12.638 7.336 -0.725 1.00 0.00 N ATOM 412 CA THR A 26 -12.363 5.950 -0.982 1.00 0.00 C ATOM 413 C THR A 26 -10.858 5.703 -0.896 1.00 0.00 C ATOM 414 O THR A 26 -10.409 4.602 -0.580 1.00 0.00 O ATOM 415 CB THR A 26 -12.913 5.522 -2.377 1.00 0.00 C ATOM 416 OG1 THR A 26 -14.349 5.584 -2.364 1.00 0.00 O ATOM 417 CG2 THR A 26 -12.478 4.114 -2.747 1.00 0.00 C ATOM 0 H THR A 26 -12.617 7.931 -1.553 1.00 0.00 H new ATOM 0 HA THR A 26 -12.867 5.345 -0.228 1.00 0.00 H new ATOM 0 HB THR A 26 -12.507 6.208 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.637 6.518 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.882 3.854 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.390 4.066 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.850 3.411 -2.002 1.00 0.00 H new ATOM 425 N SER A 27 -10.085 6.751 -1.145 1.00 0.00 N ATOM 426 CA SER A 27 -8.648 6.654 -1.101 1.00 0.00 C ATOM 427 C SER A 27 -8.020 8.036 -0.945 1.00 0.00 C ATOM 428 O SER A 27 -8.455 9.003 -1.579 1.00 0.00 O ATOM 429 CB SER A 27 -8.134 5.983 -2.374 1.00 0.00 C ATOM 430 OG SER A 27 -6.742 5.716 -2.294 1.00 0.00 O ATOM 0 H SER A 27 -10.439 7.678 -1.380 1.00 0.00 H new ATOM 0 HA SER A 27 -8.366 6.050 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.675 5.052 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.334 6.625 -3.232 1.00 0.00 H new ATOM 0 HG SER A 27 -6.443 5.285 -3.122 1.00 0.00 H new ATOM 436 N GLY A 28 -7.020 8.122 -0.077 1.00 0.00 N ATOM 437 CA GLY A 28 -6.298 9.357 0.126 1.00 0.00 C ATOM 438 C GLY A 28 -5.455 9.692 -1.074 1.00 0.00 C ATOM 439 O GLY A 28 -5.178 10.866 -1.349 1.00 0.00 O ATOM 0 H GLY A 28 -6.695 7.344 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.002 10.167 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.663 9.271 1.008 1.00 0.00 H new ATOM 443 N ASP A 29 -5.059 8.659 -1.807 1.00 0.00 N ATOM 444 CA ASP A 29 -4.280 8.824 -3.026 1.00 0.00 C ATOM 445 C ASP A 29 -5.203 9.180 -4.176 1.00 0.00 C ATOM 446 O ASP A 29 -5.198 8.527 -5.222 1.00 0.00 O ATOM 447 CB ASP A 29 -3.488 7.549 -3.352 1.00 0.00 C ATOM 448 CG ASP A 29 -2.400 7.264 -2.343 1.00 0.00 C ATOM 449 OD1 ASP A 29 -1.372 7.973 -2.357 1.00 0.00 O ATOM 450 OD2 ASP A 29 -2.567 6.328 -1.522 1.00 0.00 O ATOM 0 H ASP A 29 -5.268 7.688 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.564 9.632 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.172 6.701 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.043 7.646 -4.342 1.00 0.00 H new ATOM 455 N CYS A 30 -5.980 10.234 -3.962 1.00 0.00 N ATOM 456 CA CYS A 30 -6.959 10.724 -4.929 1.00 0.00 C ATOM 457 C CYS A 30 -7.993 9.650 -5.257 1.00 0.00 C ATOM 458 O CYS A 30 -7.826 8.874 -6.203 1.00 0.00 O ATOM 459 CB CYS A 30 -6.265 11.208 -6.208 1.00 0.00 C ATOM 460 SG CYS A 30 -4.999 12.496 -5.931 1.00 0.00 S ATOM 0 H CYS A 30 -5.949 10.781 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.479 11.569 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.798 10.355 -6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.019 11.597 -6.892 1.00 0.00 H new ATOM 465 N GLY A 31 -9.055 9.605 -4.477 1.00 0.00 N ATOM 466 CA GLY A 31 -10.074 8.612 -4.680 1.00 0.00 C ATOM 467 C GLY A 31 -11.440 9.157 -4.386 1.00 0.00 C ATOM 468 O GLY A 31 -11.610 9.920 -3.436 1.00 0.00 O ATOM 0 H GLY A 31 -9.228 10.245 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.037 8.257 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.879 7.752 -4.039 1.00 0.00 H new ATOM 472 N LEU A 32 -12.413 8.754 -5.184 1.00 0.00 N ATOM 473 CA LEU A 32 -13.786 9.233 -5.051 1.00 0.00 C ATOM 474 C LEU A 32 -14.336 8.960 -3.660 1.00 0.00 C ATOM 475 O LEU A 32 -13.915 8.045 -3.003 1.00 0.00 O ATOM 476 CB LEU A 32 -14.685 8.604 -6.124 1.00 0.00 C ATOM 477 CG LEU A 32 -16.119 9.147 -6.204 1.00 0.00 C ATOM 478 CD1 LEU A 32 -16.119 10.615 -6.606 1.00 0.00 C ATOM 479 CD2 LEU A 32 -16.946 8.325 -7.177 1.00 0.00 C ATOM 0 H LEU A 32 -12.278 8.086 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.777 10.313 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.210 8.744 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.734 7.530 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.571 9.066 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.145 10.978 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.565 11.194 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.647 10.725 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.959 8.724 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.494 8.372 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.979 7.288 -6.841 1.00 0.00 H new ATOM 491 N GLY A 33 -15.261 9.770 -3.212 1.00 0.00 N ATOM 492 CA GLY A 33 -15.821 9.578 -1.902 1.00 0.00 C ATOM 493 C GLY A 33 -17.319 9.710 -1.943 1.00 0.00 C ATOM 494 O GLY A 33 -17.873 10.115 -2.966 1.00 0.00 O ATOM 0 H GLY A 33 -15.639 10.562 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.547 8.593 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.404 10.311 -1.211 1.00 0.00 H new ATOM 498 N THR A 34 -17.984 9.397 -0.855 1.00 0.00 N ATOM 499 CA THR A 34 -19.431 9.474 -0.826 1.00 0.00 C ATOM 500 C THR A 34 -19.944 10.130 0.451 1.00 0.00 C ATOM 501 O THR A 34 -19.263 10.150 1.478 1.00 0.00 O ATOM 502 CB THR A 34 -20.068 8.072 -0.969 1.00 0.00 C ATOM 503 OG1 THR A 34 -19.399 7.146 -0.105 1.00 0.00 O ATOM 504 CG2 THR A 34 -19.996 7.577 -2.408 1.00 0.00 C ATOM 0 H THR A 34 -17.553 9.089 0.017 1.00 0.00 H new ATOM 0 HA THR A 34 -19.723 10.093 -1.674 1.00 0.00 H new ATOM 0 HB THR A 34 -21.118 8.146 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.807 6.260 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.452 6.589 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.531 8.269 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.953 7.518 -2.721 1.00 0.00 H new ATOM 512 N ARG A 35 -21.126 10.714 0.354 1.00 0.00 N ATOM 513 CA ARG A 35 -21.806 11.310 1.486 1.00 0.00 C ATOM 514 C ARG A 35 -23.275 10.919 1.414 1.00 0.00 C ATOM 515 O ARG A 35 -23.841 10.846 0.321 1.00 0.00 O ATOM 516 CB ARG A 35 -21.652 12.846 1.489 1.00 0.00 C ATOM 517 CG ARG A 35 -22.352 13.556 0.334 1.00 0.00 C ATOM 518 CD ARG A 35 -22.218 15.071 0.445 1.00 0.00 C ATOM 519 NE ARG A 35 -23.065 15.770 -0.527 1.00 0.00 N ATOM 520 CZ ARG A 35 -23.422 17.058 -0.431 1.00 0.00 C ATOM 521 NH1 ARG A 35 -22.964 17.809 0.563 1.00 0.00 N ATOM 522 NH2 ARG A 35 -24.232 17.589 -1.338 1.00 0.00 N ATOM 0 H ARG A 35 -21.644 10.787 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.362 10.944 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.044 13.236 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.590 13.092 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -21.927 13.221 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.407 13.283 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.487 15.386 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.177 15.355 0.290 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.405 15.240 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.337 17.406 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -23.239 18.789 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.582 17.017 -2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.505 18.569 -1.267 1.00 0.00 H new ATOM 536 N GLU A 36 -23.891 10.655 2.544 1.00 0.00 N ATOM 537 CA GLU A 36 -25.273 10.215 2.560 1.00 0.00 C ATOM 538 C GLU A 36 -26.105 11.022 3.537 1.00 0.00 C ATOM 539 O GLU A 36 -25.705 11.227 4.691 1.00 0.00 O ATOM 540 CB GLU A 36 -25.355 8.730 2.900 1.00 0.00 C ATOM 541 CG GLU A 36 -26.755 8.157 2.793 1.00 0.00 C ATOM 542 CD GLU A 36 -26.793 6.686 3.094 1.00 0.00 C ATOM 543 OE1 GLU A 36 -26.926 6.322 4.279 1.00 0.00 O ATOM 544 OE2 GLU A 36 -26.693 5.879 2.148 1.00 0.00 O ATOM 0 H GLU A 36 -23.460 10.736 3.465 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.681 10.375 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -24.693 8.177 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -24.986 8.578 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -27.415 8.684 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -27.140 8.330 1.788 1.00 0.00 H new ATOM 551 N GLY A 37 -27.243 11.500 3.073 1.00 0.00 N ATOM 552 CA GLY A 37 -28.140 12.233 3.920 1.00 0.00 C ATOM 553 C GLY A 37 -29.473 11.524 3.965 1.00 0.00 C ATOM 554 O GLY A 37 -29.887 10.923 2.966 1.00 0.00 O ATOM 0 H GLY A 37 -27.562 11.389 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.725 12.316 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.267 13.248 3.543 1.00 0.00 H new ATOM 558 N THR A 38 -30.153 11.566 5.089 1.00 0.00 N ATOM 559 CA THR A 38 -31.417 10.868 5.224 1.00 0.00 C ATOM 560 C THR A 38 -32.456 11.745 5.891 1.00 0.00 C ATOM 561 O THR A 38 -32.123 12.651 6.631 1.00 0.00 O ATOM 562 CB THR A 38 -31.257 9.566 6.049 1.00 0.00 C ATOM 563 OG1 THR A 38 -30.722 9.870 7.345 1.00 0.00 O ATOM 564 CG2 THR A 38 -30.335 8.578 5.344 1.00 0.00 C ATOM 0 H THR A 38 -29.855 12.074 5.922 1.00 0.00 H new ATOM 0 HA THR A 38 -31.748 10.616 4.216 1.00 0.00 H new ATOM 0 HB THR A 38 -32.242 9.111 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 38 -30.625 9.043 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 38 -30.242 7.674 5.946 1.00 0.00 H new ATOM 0 HG22 THR A 38 -30.752 8.323 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 38 -29.352 9.029 5.212 1.00 0.00 H new ATOM 572 N ARG A 39 -33.708 11.470 5.626 1.00 0.00 N ATOM 573 CA ARG A 39 -34.795 12.196 6.237 1.00 0.00 C ATOM 574 C ARG A 39 -35.605 11.206 7.048 1.00 0.00 C ATOM 575 O ARG A 39 -35.586 10.010 6.753 1.00 0.00 O ATOM 576 CB ARG A 39 -35.660 12.867 5.162 1.00 0.00 C ATOM 577 CG ARG A 39 -36.740 13.786 5.710 1.00 0.00 C ATOM 578 CD ARG A 39 -37.559 14.409 4.592 1.00 0.00 C ATOM 579 NE ARG A 39 -38.593 15.306 5.107 1.00 0.00 N ATOM 580 CZ ARG A 39 -39.761 15.545 4.499 1.00 0.00 C ATOM 581 NH1 ARG A 39 -40.040 14.975 3.332 1.00 0.00 N ATOM 582 NH2 ARG A 39 -40.645 16.359 5.055 1.00 0.00 N ATOM 0 H ARG A 39 -34.004 10.737 4.981 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.416 12.987 6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -35.013 13.441 4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -36.131 12.093 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -37.396 13.223 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -36.281 14.573 6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -36.899 14.962 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -38.024 13.621 4.000 1.00 0.00 H new ATOM 0 HE ARG A 39 -38.411 15.782 5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -39.362 14.351 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -40.932 15.161 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -40.436 16.805 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -41.535 16.540 4.590 1.00 0.00 H new ATOM 596 N THR A 40 -36.298 11.667 8.064 1.00 0.00 N ATOM 597 CA THR A 40 -37.016 10.757 8.931 1.00 0.00 C ATOM 598 C THR A 40 -38.232 11.436 9.515 1.00 0.00 C ATOM 599 O THR A 40 -38.328 12.656 9.499 1.00 0.00 O ATOM 600 CB THR A 40 -36.101 10.250 10.075 1.00 0.00 C ATOM 601 OG1 THR A 40 -34.771 10.036 9.569 1.00 0.00 O ATOM 602 CG2 THR A 40 -36.618 8.936 10.642 1.00 0.00 C ATOM 0 H THR A 40 -36.381 12.654 8.310 1.00 0.00 H new ATOM 0 HA THR A 40 -37.335 9.903 8.333 1.00 0.00 H new ATOM 0 HB THR A 40 -36.095 11.003 10.863 1.00 0.00 H new ATOM 0 HG1 THR A 40 -34.193 9.717 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 40 -35.959 8.601 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 40 -37.624 9.081 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 40 -36.642 8.184 9.853 1.00 0.00 H new ATOM 610 N GLY A 41 -39.154 10.650 10.007 1.00 0.00 N ATOM 611 CA GLY A 41 -40.351 11.169 10.602 1.00 0.00 C ATOM 612 C GLY A 41 -41.354 10.066 10.765 1.00 0.00 C ATOM 613 O GLY A 41 -41.036 8.905 10.491 1.00 0.00 O ATOM 0 H GLY A 41 -39.093 9.632 10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -40.124 11.613 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -40.765 11.961 9.978 1.00 0.00 H new ATOM 617 N ALA A 42 -42.561 10.395 11.176 1.00 0.00 N ATOM 618 CA ALA A 42 -43.573 9.375 11.392 1.00 0.00 C ATOM 619 C ALA A 42 -44.103 8.829 10.072 1.00 0.00 C ATOM 620 O ALA A 42 -44.455 7.660 9.977 1.00 0.00 O ATOM 621 CB ALA A 42 -44.714 9.934 12.229 1.00 0.00 C ATOM 0 H ALA A 42 -42.866 11.350 11.366 1.00 0.00 H new ATOM 0 HA ALA A 42 -43.107 8.550 11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -45.465 9.160 12.383 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -44.330 10.264 13.194 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -45.166 10.779 11.710 1.00 0.00 H new ATOM 627 N GLU A 43 -44.156 9.677 9.053 1.00 0.00 N ATOM 628 CA GLU A 43 -44.658 9.261 7.746 1.00 0.00 C ATOM 629 C GLU A 43 -43.530 9.084 6.735 1.00 0.00 C ATOM 630 O GLU A 43 -43.766 8.740 5.576 1.00 0.00 O ATOM 631 CB GLU A 43 -45.656 10.293 7.230 1.00 0.00 C ATOM 632 CG GLU A 43 -46.772 10.606 8.209 1.00 0.00 C ATOM 633 CD GLU A 43 -47.656 11.737 7.740 1.00 0.00 C ATOM 634 OE1 GLU A 43 -47.148 12.867 7.592 1.00 0.00 O ATOM 635 OE2 GLU A 43 -48.869 11.507 7.537 1.00 0.00 O ATOM 0 H GLU A 43 -43.860 10.652 9.103 1.00 0.00 H new ATOM 0 HA GLU A 43 -45.148 8.295 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -45.123 11.214 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -46.092 9.930 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -47.379 9.713 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -46.340 10.864 9.176 1.00 0.00 H new ATOM 642 N CYS A 44 -42.316 9.302 7.171 1.00 0.00 N ATOM 643 CA CYS A 44 -41.173 9.217 6.278 1.00 0.00 C ATOM 644 C CYS A 44 -40.462 7.877 6.394 1.00 0.00 C ATOM 645 O CYS A 44 -39.956 7.519 7.459 1.00 0.00 O ATOM 646 CB CYS A 44 -40.189 10.357 6.544 1.00 0.00 C ATOM 647 SG CYS A 44 -40.885 12.024 6.294 1.00 0.00 S ATOM 0 H CYS A 44 -42.086 9.540 8.136 1.00 0.00 H new ATOM 0 HA CYS A 44 -41.554 9.307 5.261 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -39.827 10.277 7.569 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -39.325 10.235 5.891 1.00 0.00 H new ATOM 652 N LYS A 45 -40.456 7.135 5.299 1.00 0.00 N ATOM 653 CA LYS A 45 -39.736 5.879 5.218 1.00 0.00 C ATOM 654 C LYS A 45 -39.031 5.778 3.884 1.00 0.00 C ATOM 655 O LYS A 45 -39.579 6.196 2.855 1.00 0.00 O ATOM 656 CB LYS A 45 -40.635 4.660 5.439 1.00 0.00 C ATOM 657 CG LYS A 45 -41.952 4.733 4.739 1.00 0.00 C ATOM 658 CD LYS A 45 -43.009 5.274 5.667 1.00 0.00 C ATOM 659 CE LYS A 45 -44.361 5.379 4.983 1.00 0.00 C ATOM 660 NZ LYS A 45 -44.422 6.528 4.049 1.00 0.00 N ATOM 0 H LYS A 45 -40.950 7.388 4.443 1.00 0.00 H new ATOM 0 HA LYS A 45 -39.004 5.875 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -40.107 3.768 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -40.811 4.542 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -41.869 5.372 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -42.240 3.742 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -43.093 4.626 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -42.707 6.257 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -44.564 4.457 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -45.142 5.482 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -45.343 6.534 3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -44.304 7.414 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -43.662 6.443 3.344 1.00 0.00 H new ATOM 674 N GLN A 46 -37.813 5.244 3.906 1.00 0.00 N ATOM 675 CA GLN A 46 -36.983 5.109 2.711 1.00 0.00 C ATOM 676 C GLN A 46 -36.645 6.467 2.111 1.00 0.00 C ATOM 677 O GLN A 46 -36.264 6.574 0.947 1.00 0.00 O ATOM 678 CB GLN A 46 -37.652 4.195 1.687 1.00 0.00 C ATOM 679 CG GLN A 46 -37.700 2.748 2.138 1.00 0.00 C ATOM 680 CD GLN A 46 -36.318 2.127 2.223 1.00 0.00 C ATOM 681 OE1 GLN A 46 -35.415 2.483 1.463 1.00 0.00 O ATOM 682 NE2 GLN A 46 -36.137 1.211 3.150 1.00 0.00 N ATOM 0 H GLN A 46 -37.372 4.891 4.755 1.00 0.00 H new ATOM 0 HA GLN A 46 -36.042 4.646 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -38.667 4.547 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -37.113 4.259 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -38.183 2.689 3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -38.313 2.173 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -36.909 0.943 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -35.224 0.769 3.259 1.00 0.00 H new ATOM 691 N THR A 47 -36.772 7.502 2.925 1.00 0.00 N ATOM 692 CA THR A 47 -36.440 8.837 2.510 1.00 0.00 C ATOM 693 C THR A 47 -34.945 9.054 2.688 1.00 0.00 C ATOM 694 O THR A 47 -34.492 9.656 3.666 1.00 0.00 O ATOM 695 CB THR A 47 -37.197 9.861 3.338 1.00 0.00 C ATOM 696 OG1 THR A 47 -38.455 9.302 3.754 1.00 0.00 O ATOM 697 CG2 THR A 47 -37.450 11.118 2.530 1.00 0.00 C ATOM 0 H THR A 47 -37.107 7.432 3.886 1.00 0.00 H new ATOM 0 HA THR A 47 -36.719 8.961 1.464 1.00 0.00 H new ATOM 0 HB THR A 47 -36.596 10.119 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 47 -39.153 9.987 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 47 -37.993 11.840 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 47 -36.498 11.549 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 47 -38.041 10.871 1.648 1.00 0.00 H new ATOM 705 N MET A 48 -34.195 8.523 1.765 1.00 0.00 N ATOM 706 CA MET A 48 -32.744 8.562 1.843 1.00 0.00 C ATOM 707 C MET A 48 -32.138 8.965 0.514 1.00 0.00 C ATOM 708 O MET A 48 -32.740 8.755 -0.545 1.00 0.00 O ATOM 709 CB MET A 48 -32.207 7.186 2.266 1.00 0.00 C ATOM 710 CG MET A 48 -32.798 6.664 3.567 1.00 0.00 C ATOM 711 SD MET A 48 -32.228 5.007 3.984 1.00 0.00 S ATOM 712 CE MET A 48 -33.098 4.728 5.528 1.00 0.00 C ATOM 0 H MET A 48 -34.559 8.051 0.938 1.00 0.00 H new ATOM 0 HA MET A 48 -32.462 9.307 2.587 1.00 0.00 H new ATOM 0 HB2 MET A 48 -32.412 6.468 1.472 1.00 0.00 H new ATOM 0 HB3 MET A 48 -31.124 7.246 2.370 1.00 0.00 H new ATOM 0 HG2 MET A 48 -32.539 7.346 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 48 -33.885 6.660 3.490 1.00 0.00 H new ATOM 0 HE1 MET A 48 -32.848 3.740 5.913 1.00 0.00 H new ATOM 0 HE2 MET A 48 -32.803 5.486 6.254 1.00 0.00 H new ATOM 0 HE3 MET A 48 -34.173 4.789 5.356 1.00 0.00 H new ATOM 722 N LYS A 49 -30.961 9.562 0.568 1.00 0.00 N ATOM 723 CA LYS A 49 -30.255 9.961 -0.628 1.00 0.00 C ATOM 724 C LYS A 49 -28.754 9.883 -0.407 1.00 0.00 C ATOM 725 O LYS A 49 -28.237 10.390 0.591 1.00 0.00 O ATOM 726 CB LYS A 49 -30.658 11.379 -1.030 1.00 0.00 C ATOM 727 CG LYS A 49 -30.072 11.842 -2.353 1.00 0.00 C ATOM 728 CD LYS A 49 -30.442 10.897 -3.486 1.00 0.00 C ATOM 729 CE LYS A 49 -30.080 11.483 -4.837 1.00 0.00 C ATOM 730 NZ LYS A 49 -30.837 12.730 -5.116 1.00 0.00 N ATOM 0 H LYS A 49 -30.474 9.781 1.437 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.523 9.279 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -31.745 11.433 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -30.346 12.069 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -30.433 12.845 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -28.987 11.905 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -29.927 9.946 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -31.511 10.688 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.011 11.692 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -30.285 10.751 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.848 12.907 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -31.813 12.628 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.380 13.529 -4.632 1.00 0.00 H new ATOM 744 N THR A 50 -28.056 9.263 -1.328 1.00 0.00 N ATOM 745 CA THR A 50 -26.625 9.129 -1.250 1.00 0.00 C ATOM 746 C THR A 50 -26.003 9.862 -2.435 1.00 0.00 C ATOM 747 O THR A 50 -26.509 9.778 -3.556 1.00 0.00 O ATOM 748 CB THR A 50 -26.200 7.645 -1.285 1.00 0.00 C ATOM 749 OG1 THR A 50 -27.105 6.852 -0.485 1.00 0.00 O ATOM 750 CG2 THR A 50 -24.782 7.479 -0.758 1.00 0.00 C ATOM 0 H THR A 50 -28.469 8.835 -2.157 1.00 0.00 H new ATOM 0 HA THR A 50 -26.281 9.557 -0.308 1.00 0.00 H new ATOM 0 HB THR A 50 -26.234 7.305 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.706 6.689 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 50 -24.502 6.426 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 50 -24.094 8.057 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 50 -24.732 7.835 0.271 1.00 0.00 H new ATOM 758 N GLN A 51 -24.931 10.576 -2.193 1.00 0.00 N ATOM 759 CA GLN A 51 -24.287 11.372 -3.227 1.00 0.00 C ATOM 760 C GLN A 51 -22.793 11.123 -3.246 1.00 0.00 C ATOM 761 O GLN A 51 -22.198 10.777 -2.221 1.00 0.00 O ATOM 762 CB GLN A 51 -24.551 12.864 -2.985 1.00 0.00 C ATOM 763 CG GLN A 51 -26.019 13.266 -3.053 1.00 0.00 C ATOM 764 CD GLN A 51 -26.247 14.702 -2.618 1.00 0.00 C ATOM 765 OE1 GLN A 51 -25.370 15.553 -2.763 1.00 0.00 O ATOM 766 NE2 GLN A 51 -27.424 14.979 -2.084 1.00 0.00 N ATOM 0 H GLN A 51 -24.477 10.627 -1.281 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.705 11.078 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -24.158 13.135 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -23.995 13.443 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -26.381 13.136 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -26.605 12.600 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -28.123 14.244 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -27.633 15.928 -1.774 1.00 0.00 H new ATOM 775 N ARG A 52 -22.186 11.295 -4.405 1.00 0.00 N ATOM 776 CA ARG A 52 -20.752 11.160 -4.540 1.00 0.00 C ATOM 777 C ARG A 52 -20.113 12.494 -4.194 1.00 0.00 C ATOM 778 O ARG A 52 -20.532 13.540 -4.690 1.00 0.00 O ATOM 779 CB ARG A 52 -20.374 10.744 -5.965 1.00 0.00 C ATOM 780 CG ARG A 52 -20.818 11.731 -7.031 1.00 0.00 C ATOM 781 CD ARG A 52 -20.217 11.401 -8.383 1.00 0.00 C ATOM 782 NE ARG A 52 -20.453 12.473 -9.358 1.00 0.00 N ATOM 783 CZ ARG A 52 -20.314 12.344 -10.682 1.00 0.00 C ATOM 784 NH1 ARG A 52 -19.982 11.171 -11.214 1.00 0.00 N ATOM 785 NH2 ARG A 52 -20.523 13.390 -11.470 1.00 0.00 N ATOM 0 H ARG A 52 -22.670 11.530 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.393 10.384 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.292 10.623 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -20.815 9.770 -6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -21.906 11.723 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.525 12.739 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.145 11.237 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -20.646 10.470 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.744 13.382 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.832 10.362 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.878 11.081 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.789 14.288 -11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.418 13.296 -12.480 1.00 0.00 H new ATOM 799 N CYS A 53 -19.140 12.472 -3.328 1.00 0.00 N ATOM 800 CA CYS A 53 -18.537 13.699 -2.871 1.00 0.00 C ATOM 801 C CYS A 53 -17.281 13.995 -3.691 1.00 0.00 C ATOM 802 O CYS A 53 -16.899 13.206 -4.557 1.00 0.00 O ATOM 803 CB CYS A 53 -18.208 13.608 -1.383 1.00 0.00 C ATOM 804 SG CYS A 53 -17.894 15.216 -0.592 1.00 0.00 S ATOM 0 H CYS A 53 -18.746 11.623 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 53 -19.243 14.518 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -19.034 13.117 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -17.331 12.974 -1.254 1.00 0.00 H new ATOM 809 N LYS A 54 -16.633 15.105 -3.400 1.00 0.00 N ATOM 810 CA LYS A 54 -15.474 15.536 -4.160 1.00 0.00 C ATOM 811 C LYS A 54 -14.210 15.496 -3.311 1.00 0.00 C ATOM 812 O LYS A 54 -14.228 15.800 -2.115 1.00 0.00 O ATOM 813 CB LYS A 54 -15.692 16.944 -4.702 1.00 0.00 C ATOM 814 CG LYS A 54 -15.696 17.994 -3.623 1.00 0.00 C ATOM 815 CD LYS A 54 -16.290 19.300 -4.112 1.00 0.00 C ATOM 816 CE LYS A 54 -16.390 20.322 -2.987 1.00 0.00 C ATOM 817 NZ LYS A 54 -17.349 19.903 -1.931 1.00 0.00 N ATOM 0 H LYS A 54 -16.891 15.730 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.346 14.846 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.909 17.175 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.640 16.978 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.266 17.633 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.676 18.165 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.675 19.702 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.281 19.117 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.405 20.469 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.701 21.283 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.565 20.714 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.225 19.561 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.928 19.141 -1.362 1.00 0.00 H new ATOM 831 N ILE A 55 -13.144 15.086 -3.930 1.00 0.00 N ATOM 832 CA ILE A 55 -11.849 15.007 -3.278 1.00 0.00 C ATOM 833 C ILE A 55 -10.807 15.831 -4.044 1.00 0.00 C ATOM 834 O ILE A 55 -10.567 15.599 -5.234 1.00 0.00 O ATOM 835 CB ILE A 55 -11.354 13.534 -3.116 1.00 0.00 C ATOM 836 CG1 ILE A 55 -9.973 13.506 -2.444 1.00 0.00 C ATOM 837 CG2 ILE A 55 -11.310 12.822 -4.466 1.00 0.00 C ATOM 838 CD1 ILE A 55 -9.614 12.172 -1.838 1.00 0.00 C ATOM 0 H ILE A 55 -13.137 14.793 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.973 15.423 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.061 13.003 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.216 13.775 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.944 14.268 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.962 11.798 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.308 12.810 -4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.628 13.349 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.625 12.233 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.348 11.909 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.609 11.409 -2.616 1.00 0.00 H new ATOM 850 N PRO A 56 -10.202 16.833 -3.385 1.00 0.00 N ATOM 851 CA PRO A 56 -9.168 17.657 -3.997 1.00 0.00 C ATOM 852 C PRO A 56 -7.869 16.878 -4.204 1.00 0.00 C ATOM 853 O PRO A 56 -7.082 16.692 -3.269 1.00 0.00 O ATOM 854 CB PRO A 56 -8.949 18.804 -2.989 1.00 0.00 C ATOM 855 CG PRO A 56 -10.076 18.695 -2.013 1.00 0.00 C ATOM 856 CD PRO A 56 -10.493 17.255 -2.011 1.00 0.00 C ATOM 0 HA PRO A 56 -9.465 18.006 -4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.985 18.709 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.954 19.773 -3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.761 19.010 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.906 19.340 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.932 16.672 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.549 17.140 -1.767 1.00 0.00 H new ATOM 864 N CYS A 57 -7.671 16.397 -5.410 1.00 0.00 N ATOM 865 CA CYS A 57 -6.472 15.662 -5.751 1.00 0.00 C ATOM 866 C CYS A 57 -5.337 16.628 -6.037 1.00 0.00 C ATOM 867 O CYS A 57 -5.394 17.406 -6.992 1.00 0.00 O ATOM 868 CB CYS A 57 -6.720 14.765 -6.969 1.00 0.00 C ATOM 869 SG CYS A 57 -5.272 13.778 -7.477 1.00 0.00 S ATOM 0 H CYS A 57 -8.332 16.503 -6.180 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.198 15.030 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.546 14.090 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.034 15.388 -7.807 1.00 0.00 H new ATOM 874 N ASN A 58 -4.323 16.608 -5.195 1.00 0.00 N ATOM 875 CA ASN A 58 -3.193 17.497 -5.367 1.00 0.00 C ATOM 876 C ASN A 58 -2.176 16.926 -6.331 1.00 0.00 C ATOM 877 O ASN A 58 -1.748 15.774 -6.195 1.00 0.00 O ATOM 878 CB ASN A 58 -2.524 17.819 -4.031 1.00 0.00 C ATOM 879 CG ASN A 58 -3.381 18.693 -3.136 1.00 0.00 C ATOM 880 OD1 ASN A 58 -4.206 19.474 -3.614 1.00 0.00 O ATOM 881 ND2 ASN A 58 -3.173 18.587 -1.838 1.00 0.00 N ATOM 0 H ASN A 58 -4.259 15.988 -4.388 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.584 18.423 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.296 16.888 -3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.574 18.320 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.705 19.165 -1.187 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.480 17.927 -1.485 1.00 0.00 H new ATOM 888 N TRP A 59 -1.801 17.748 -7.301 1.00 0.00 N ATOM 889 CA TRP A 59 -0.795 17.421 -8.305 1.00 0.00 C ATOM 890 C TRP A 59 -1.101 16.112 -9.028 1.00 0.00 C ATOM 891 O TRP A 59 -0.402 15.104 -8.854 1.00 0.00 O ATOM 892 CB TRP A 59 0.602 17.392 -7.679 1.00 0.00 C ATOM 893 CG TRP A 59 0.882 18.598 -6.839 1.00 0.00 C ATOM 894 CD1 TRP A 59 0.886 18.658 -5.479 1.00 0.00 C ATOM 895 CD2 TRP A 59 1.169 19.921 -7.302 1.00 0.00 C ATOM 896 NE1 TRP A 59 1.165 19.933 -5.065 1.00 0.00 N ATOM 897 CE2 TRP A 59 1.344 20.728 -6.163 1.00 0.00 C ATOM 898 CE3 TRP A 59 1.300 20.501 -8.566 1.00 0.00 C ATOM 899 CZ2 TRP A 59 1.640 22.083 -6.250 1.00 0.00 C ATOM 900 CZ3 TRP A 59 1.593 21.847 -8.650 1.00 0.00 C ATOM 901 CH2 TRP A 59 1.761 22.626 -7.499 1.00 0.00 C ATOM 0 H TRP A 59 -2.196 18.682 -7.415 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.822 18.209 -9.058 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.703 16.496 -7.067 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.349 17.323 -8.470 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.697 17.822 -4.822 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.229 20.240 -4.094 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.174 19.908 -9.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.770 22.685 -5.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.695 22.308 -9.621 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.991 23.676 -7.600 1.00 0.00 H new ATOM 912 N LYS A 60 -2.161 16.124 -9.815 1.00 0.00 N ATOM 913 CA LYS A 60 -2.541 14.968 -10.611 1.00 0.00 C ATOM 914 C LYS A 60 -1.901 15.071 -11.990 1.00 0.00 C ATOM 915 O LYS A 60 -1.887 14.116 -12.769 1.00 0.00 O ATOM 916 CB LYS A 60 -4.065 14.880 -10.734 1.00 0.00 C ATOM 917 CG LYS A 60 -4.550 13.635 -11.456 1.00 0.00 C ATOM 918 CD LYS A 60 -6.057 13.612 -11.566 1.00 0.00 C ATOM 919 CE LYS A 60 -6.534 12.409 -12.365 1.00 0.00 C ATOM 920 NZ LYS A 60 -8.005 12.416 -12.562 1.00 0.00 N ATOM 0 H LYS A 60 -2.780 16.928 -9.921 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.188 14.062 -10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.503 14.904 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.429 15.761 -11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.111 13.596 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.209 12.748 -10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.496 13.586 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.403 14.529 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.039 12.400 -13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.242 11.494 -11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.286 11.579 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.479 12.398 -11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.282 13.276 -13.077 1.00 0.00 H new ATOM 934 N LYS A 61 -1.368 16.242 -12.268 1.00 0.00 N ATOM 935 CA LYS A 61 -0.713 16.528 -13.532 1.00 0.00 C ATOM 936 C LYS A 61 0.546 15.698 -13.683 1.00 0.00 C ATOM 937 O LYS A 61 1.512 15.868 -12.933 1.00 0.00 O ATOM 938 CB LYS A 61 -0.388 18.008 -13.624 1.00 0.00 C ATOM 939 CG LYS A 61 -1.619 18.885 -13.618 1.00 0.00 C ATOM 940 CD LYS A 61 -1.260 20.358 -13.586 1.00 0.00 C ATOM 941 CE LYS A 61 -0.453 20.767 -14.803 1.00 0.00 C ATOM 942 NZ LYS A 61 -0.139 22.210 -14.788 1.00 0.00 N ATOM 0 H LYS A 61 -1.376 17.030 -11.620 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.391 16.265 -14.344 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.253 18.286 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.179 18.194 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.219 18.676 -14.504 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.234 18.642 -12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.172 20.953 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.690 20.574 -12.682 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.473 20.193 -14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.010 20.525 -15.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.413 22.454 -15.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.023 22.758 -14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.414 22.436 -13.937 1.00 0.00 H new ATOM 956 N GLN A 62 0.530 14.802 -14.647 1.00 0.00 N ATOM 957 CA GLN A 62 1.641 13.895 -14.876 1.00 0.00 C ATOM 958 C GLN A 62 1.837 13.677 -16.357 1.00 0.00 C ATOM 959 O GLN A 62 2.365 12.648 -16.778 1.00 0.00 O ATOM 960 CB GLN A 62 1.382 12.552 -14.191 1.00 0.00 C ATOM 961 CG GLN A 62 1.238 12.642 -12.677 1.00 0.00 C ATOM 962 CD GLN A 62 1.017 11.295 -12.025 1.00 0.00 C ATOM 963 OE1 GLN A 62 1.494 10.271 -12.507 1.00 0.00 O ATOM 964 NE2 GLN A 62 0.285 11.287 -10.928 1.00 0.00 N ATOM 0 H GLN A 62 -0.249 14.680 -15.293 1.00 0.00 H new ATOM 0 HA GLN A 62 2.542 14.341 -14.455 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.474 12.114 -14.606 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.201 11.872 -14.427 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.134 13.100 -12.259 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.402 13.299 -12.435 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.093 12.160 -10.561 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.097 10.407 -10.447 1.00 0.00 H new ATOM 973 N PHE A 63 1.388 14.654 -17.147 1.00 0.00 N ATOM 974 CA PHE A 63 1.502 14.633 -18.613 1.00 0.00 C ATOM 975 C PHE A 63 0.489 13.693 -19.260 1.00 0.00 C ATOM 976 O PHE A 63 -0.065 13.984 -20.319 1.00 0.00 O ATOM 977 CB PHE A 63 2.949 14.319 -19.055 1.00 0.00 C ATOM 978 CG PHE A 63 3.180 14.307 -20.542 1.00 0.00 C ATOM 979 CD1 PHE A 63 3.432 15.486 -21.227 1.00 0.00 C ATOM 980 CD2 PHE A 63 3.165 13.114 -21.250 1.00 0.00 C ATOM 981 CE1 PHE A 63 3.664 15.473 -22.589 1.00 0.00 C ATOM 982 CE2 PHE A 63 3.394 13.098 -22.611 1.00 0.00 C ATOM 983 CZ PHE A 63 3.646 14.277 -23.281 1.00 0.00 C ATOM 0 H PHE A 63 0.930 15.491 -16.787 1.00 0.00 H new ATOM 0 HA PHE A 63 1.259 15.634 -18.970 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.616 15.055 -18.606 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.231 13.346 -18.652 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.447 16.423 -20.691 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.972 12.187 -20.730 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.859 16.397 -23.113 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.376 12.163 -23.151 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.829 14.265 -24.345 1.00 0.00 H new ATOM 993 N GLY A 64 0.254 12.601 -18.615 1.00 0.00 N ATOM 994 CA GLY A 64 -0.692 11.626 -19.099 1.00 0.00 C ATOM 995 C GLY A 64 -1.190 10.734 -17.987 1.00 0.00 C ATOM 996 O GLY A 64 -0.399 10.218 -17.196 1.00 0.00 O ATOM 0 H GLY A 64 0.707 12.349 -17.736 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.536 12.136 -19.562 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.224 11.017 -19.873 1.00 0.00 H new ATOM 1000 N ALA A 65 -2.495 10.554 -17.914 1.00 0.00 N ATOM 1001 CA ALA A 65 -3.092 9.718 -16.887 1.00 0.00 C ATOM 1002 C ALA A 65 -3.742 8.488 -17.505 1.00 0.00 C ATOM 1003 O ALA A 65 -3.187 7.388 -17.447 1.00 0.00 O ATOM 1004 CB ALA A 65 -4.104 10.513 -16.069 1.00 0.00 C ATOM 0 H ALA A 65 -3.165 10.977 -18.556 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.301 9.382 -16.216 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.540 9.869 -15.305 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.604 11.356 -15.591 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.892 10.883 -16.725 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.906 8.680 -18.112 1.00 0.00 N ATOM 1011 CA GLU A 66 -5.625 7.583 -18.752 1.00 0.00 C ATOM 1012 C GLU A 66 -5.277 7.505 -20.223 1.00 0.00 C ATOM 1013 O GLU A 66 -5.418 6.454 -20.859 1.00 0.00 O ATOM 1014 CB GLU A 66 -7.132 7.763 -18.569 1.00 0.00 C ATOM 1015 CG GLU A 66 -7.608 7.458 -17.164 1.00 0.00 C ATOM 1016 CD GLU A 66 -7.567 5.976 -16.859 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -8.587 5.289 -17.080 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -6.510 5.481 -16.422 1.00 0.00 O ATOM 0 H GLU A 66 -5.373 9.584 -18.175 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.324 6.648 -18.279 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.401 8.789 -18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.656 7.114 -19.271 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.986 7.993 -16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.626 7.826 -17.039 1.00 0.00 H new ATOM 1025 N CYS A 67 -4.800 8.609 -20.757 1.00 0.00 N ATOM 1026 CA CYS A 67 -4.395 8.663 -22.138 1.00 0.00 C ATOM 1027 C CYS A 67 -2.992 8.140 -22.267 1.00 0.00 C ATOM 1028 O CYS A 67 -2.250 8.085 -21.284 1.00 0.00 O ATOM 1029 CB CYS A 67 -4.452 10.083 -22.664 1.00 0.00 C ATOM 1030 SG CYS A 67 -6.051 10.906 -22.432 1.00 0.00 S ATOM 0 H CYS A 67 -4.684 9.485 -20.248 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.079 8.049 -22.724 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.679 10.672 -22.169 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.213 10.073 -23.728 1.00 0.00 H new ATOM 1035 N LYS A 68 -2.626 7.758 -23.458 1.00 0.00 N ATOM 1036 CA LYS A 68 -1.317 7.226 -23.702 1.00 0.00 C ATOM 1037 C LYS A 68 -0.705 7.922 -24.892 1.00 0.00 C ATOM 1038 O LYS A 68 -1.317 8.002 -25.962 1.00 0.00 O ATOM 1039 CB LYS A 68 -1.417 5.720 -23.933 1.00 0.00 C ATOM 1040 CG LYS A 68 -2.095 5.003 -22.778 1.00 0.00 C ATOM 1041 CD LYS A 68 -2.522 3.599 -23.140 1.00 0.00 C ATOM 1042 CE LYS A 68 -3.416 3.017 -22.055 1.00 0.00 C ATOM 1043 NZ LYS A 68 -4.656 3.824 -21.861 1.00 0.00 N ATOM 0 H LYS A 68 -3.224 7.807 -24.283 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.675 7.399 -22.838 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.973 5.532 -24.851 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.417 5.309 -24.076 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.414 4.964 -21.928 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.967 5.575 -22.461 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.054 3.608 -24.091 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.643 2.968 -23.272 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.686 1.994 -22.318 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.864 2.970 -21.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.371 3.250 -21.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.437 4.665 -21.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.026 4.120 -22.787 1.00 0.00 H new ATOM 1057 N TYR A 69 0.488 8.427 -24.711 1.00 0.00 N ATOM 1058 CA TYR A 69 1.160 9.136 -25.763 1.00 0.00 C ATOM 1059 C TYR A 69 2.318 8.330 -26.290 1.00 0.00 C ATOM 1060 O TYR A 69 3.175 7.873 -25.525 1.00 0.00 O ATOM 1061 CB TYR A 69 1.665 10.488 -25.272 1.00 0.00 C ATOM 1062 CG TYR A 69 0.575 11.493 -25.011 1.00 0.00 C ATOM 1063 CD1 TYR A 69 0.338 11.975 -23.733 1.00 0.00 C ATOM 1064 CD2 TYR A 69 -0.215 11.972 -26.047 1.00 0.00 C ATOM 1065 CE1 TYR A 69 -0.651 12.905 -23.496 1.00 0.00 C ATOM 1066 CE2 TYR A 69 -1.199 12.894 -25.821 1.00 0.00 C ATOM 1067 CZ TYR A 69 -1.417 13.363 -24.544 1.00 0.00 C ATOM 1068 OH TYR A 69 -2.408 14.285 -24.315 1.00 0.00 O ATOM 0 H TYR A 69 1.014 8.359 -23.840 1.00 0.00 H new ATOM 0 HA TYR A 69 0.440 9.298 -26.566 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.235 10.340 -24.355 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.353 10.898 -26.012 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.938 11.616 -22.910 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.049 11.609 -27.051 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.824 13.272 -22.495 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.803 13.253 -26.641 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.008 15.171 -24.191 1.00 0.00 H new ATOM 1078 N GLN A 70 2.356 8.165 -27.581 1.00 0.00 N ATOM 1079 CA GLN A 70 3.439 7.469 -28.218 1.00 0.00 C ATOM 1080 C GLN A 70 4.376 8.506 -28.790 1.00 0.00 C ATOM 1081 O GLN A 70 3.977 9.310 -29.636 1.00 0.00 O ATOM 1082 CB GLN A 70 2.887 6.530 -29.313 1.00 0.00 C ATOM 1083 CG GLN A 70 3.945 5.733 -30.072 1.00 0.00 C ATOM 1084 CD GLN A 70 4.530 6.498 -31.246 1.00 0.00 C ATOM 1085 OE1 GLN A 70 3.852 7.314 -31.865 1.00 0.00 O ATOM 1086 NE2 GLN A 70 5.782 6.245 -31.550 1.00 0.00 N ATOM 0 H GLN A 70 1.640 8.508 -28.221 1.00 0.00 H new ATOM 0 HA GLN A 70 3.981 6.847 -27.506 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.188 5.832 -28.853 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.319 7.125 -30.028 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.747 5.459 -29.387 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.503 4.804 -30.433 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.309 5.559 -31.010 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.227 6.734 -32.326 1.00 0.00 H new ATOM 1095 N PHE A 71 5.604 8.530 -28.307 1.00 0.00 N ATOM 1096 CA PHE A 71 6.552 9.524 -28.729 1.00 0.00 C ATOM 1097 C PHE A 71 7.485 8.975 -29.784 1.00 0.00 C ATOM 1098 O PHE A 71 7.847 7.797 -29.756 1.00 0.00 O ATOM 1099 CB PHE A 71 7.352 10.063 -27.528 1.00 0.00 C ATOM 1100 CG PHE A 71 8.172 9.022 -26.804 1.00 0.00 C ATOM 1101 CD1 PHE A 71 9.523 8.866 -27.083 1.00 0.00 C ATOM 1102 CD2 PHE A 71 7.596 8.204 -25.844 1.00 0.00 C ATOM 1103 CE1 PHE A 71 10.278 7.916 -26.423 1.00 0.00 C ATOM 1104 CE2 PHE A 71 8.346 7.251 -25.183 1.00 0.00 C ATOM 1105 CZ PHE A 71 9.690 7.108 -25.473 1.00 0.00 C ATOM 0 H PHE A 71 5.962 7.867 -27.620 1.00 0.00 H new ATOM 0 HA PHE A 71 5.993 10.350 -29.169 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.017 10.854 -27.876 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.659 10.518 -26.820 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.990 9.496 -27.826 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.547 8.313 -25.610 1.00 0.00 H new ATOM 0 HE1 PHE A 71 11.328 7.806 -26.651 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.883 6.618 -24.440 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.279 6.364 -24.956 1.00 0.00 H new ATOM 1115 N GLN A 72 7.865 9.819 -30.707 1.00 0.00 N ATOM 1116 CA GLN A 72 8.821 9.451 -31.705 1.00 0.00 C ATOM 1117 C GLN A 72 10.207 9.781 -31.173 1.00 0.00 C ATOM 1118 O GLN A 72 10.332 10.566 -30.220 1.00 0.00 O ATOM 1119 CB GLN A 72 8.541 10.169 -33.029 1.00 0.00 C ATOM 1120 CG GLN A 72 9.358 11.419 -33.239 1.00 0.00 C ATOM 1121 CD GLN A 72 8.912 12.209 -34.454 1.00 0.00 C ATOM 1122 OE1 GLN A 72 8.390 11.645 -35.419 1.00 0.00 O ATOM 1123 NE2 GLN A 72 9.121 13.508 -34.426 1.00 0.00 N ATOM 0 H GLN A 72 7.519 10.776 -30.784 1.00 0.00 H new ATOM 0 HA GLN A 72 8.753 8.383 -31.913 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.734 9.480 -33.851 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.483 10.428 -33.072 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.285 12.050 -32.353 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.408 11.148 -33.352 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.556 13.937 -33.609 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.848 14.086 -35.221 1.00 0.00 H new ATOM 1132 N ALA A 73 11.220 9.190 -31.787 1.00 0.00 N ATOM 1133 CA ALA A 73 12.613 9.320 -31.345 1.00 0.00 C ATOM 1134 C ALA A 73 12.842 8.544 -30.048 1.00 0.00 C ATOM 1135 O ALA A 73 12.263 8.855 -29.008 1.00 0.00 O ATOM 1136 CB ALA A 73 13.033 10.788 -31.194 1.00 0.00 C ATOM 0 H ALA A 73 11.105 8.601 -32.612 1.00 0.00 H new ATOM 0 HA ALA A 73 13.245 8.887 -32.121 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.071 10.837 -30.865 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.932 11.296 -32.153 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.395 11.275 -30.456 1.00 0.00 H new ATOM 1142 N TRP A 74 13.701 7.543 -30.118 1.00 0.00 N ATOM 1143 CA TRP A 74 13.984 6.679 -28.976 1.00 0.00 C ATOM 1144 C TRP A 74 15.133 7.267 -28.152 1.00 0.00 C ATOM 1145 O TRP A 74 15.513 6.743 -27.099 1.00 0.00 O ATOM 1146 CB TRP A 74 14.327 5.263 -29.466 1.00 0.00 C ATOM 1147 CG TRP A 74 14.207 4.204 -28.406 1.00 0.00 C ATOM 1148 CD1 TRP A 74 15.200 3.735 -27.598 1.00 0.00 C ATOM 1149 CD2 TRP A 74 13.023 3.479 -28.047 1.00 0.00 C ATOM 1150 NE1 TRP A 74 14.707 2.768 -26.759 1.00 0.00 N ATOM 1151 CE2 TRP A 74 13.375 2.592 -27.014 1.00 0.00 C ATOM 1152 CE3 TRP A 74 11.700 3.497 -28.498 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 12.454 1.730 -26.424 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 10.786 2.641 -27.913 1.00 0.00 C ATOM 1155 CH2 TRP A 74 11.166 1.769 -26.885 1.00 0.00 C ATOM 0 H TRP A 74 14.222 7.303 -30.962 1.00 0.00 H new ATOM 0 HA TRP A 74 13.102 6.617 -28.339 1.00 0.00 H new ATOM 0 HB2 TRP A 74 13.669 5.008 -30.297 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.346 5.261 -29.854 1.00 0.00 H new ATOM 0 HD1 TRP A 74 16.225 4.075 -27.616 1.00 0.00 H new ATOM 0 HE1 TRP A 74 15.247 2.262 -26.058 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.398 4.167 -29.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.745 1.056 -25.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 9.761 2.645 -28.254 1.00 0.00 H new ATOM 0 HH2 TRP A 74 10.427 1.114 -26.447 1.00 0.00 H new ATOM 1166 N GLY A 75 15.674 8.362 -28.643 1.00 0.00 N ATOM 1167 CA GLY A 75 16.795 8.987 -27.999 1.00 0.00 C ATOM 1168 C GLY A 75 16.594 10.471 -27.834 1.00 0.00 C ATOM 1169 O GLY A 75 16.069 11.138 -28.727 1.00 0.00 O ATOM 0 H GLY A 75 15.350 8.833 -29.488 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.952 8.531 -27.021 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.697 8.806 -28.584 1.00 0.00 H new ATOM 1173 N GLU A 76 17.006 10.993 -26.697 1.00 0.00 N ATOM 1174 CA GLU A 76 16.900 12.388 -26.431 1.00 0.00 C ATOM 1175 C GLU A 76 18.283 13.008 -26.479 1.00 0.00 C ATOM 1176 O GLU A 76 19.254 12.389 -26.047 1.00 0.00 O ATOM 1177 CB GLU A 76 16.239 12.640 -25.076 1.00 0.00 C ATOM 1178 CG GLU A 76 17.018 12.119 -23.882 1.00 0.00 C ATOM 1179 CD GLU A 76 16.361 12.476 -22.564 1.00 0.00 C ATOM 1180 OE1 GLU A 76 16.399 13.670 -22.180 1.00 0.00 O ATOM 1181 OE2 GLU A 76 15.810 11.571 -21.904 1.00 0.00 O ATOM 0 H GLU A 76 17.422 10.451 -25.940 1.00 0.00 H new ATOM 0 HA GLU A 76 16.270 12.850 -27.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.089 13.713 -24.954 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.252 12.178 -25.078 1.00 0.00 H new ATOM 0 HG2 GLU A 76 17.111 11.036 -23.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 18.028 12.528 -23.904 1.00 0.00 H new ATOM 1188 N CYS A 77 18.360 14.211 -27.034 1.00 0.00 N ATOM 1189 CA CYS A 77 19.617 14.947 -27.188 1.00 0.00 C ATOM 1190 C CYS A 77 20.392 14.438 -28.374 1.00 0.00 C ATOM 1191 O CYS A 77 21.019 13.381 -28.330 1.00 0.00 O ATOM 1192 CB CYS A 77 20.475 14.927 -25.906 1.00 0.00 C ATOM 1193 SG CYS A 77 21.975 15.968 -25.986 1.00 0.00 S ATOM 0 H CYS A 77 17.547 14.711 -27.394 1.00 0.00 H new ATOM 0 HA CYS A 77 19.357 15.990 -27.369 1.00 0.00 H new ATOM 0 HB2 CYS A 77 19.862 15.258 -25.068 1.00 0.00 H new ATOM 0 HB3 CYS A 77 20.771 13.899 -25.698 1.00 0.00 H new ATOM 1198 N ASP A 78 20.322 15.190 -29.440 1.00 0.00 N ATOM 1199 CA ASP A 78 21.031 14.865 -30.647 1.00 0.00 C ATOM 1200 C ASP A 78 22.437 15.376 -30.526 1.00 0.00 C ATOM 1201 O ASP A 78 22.681 16.578 -30.494 1.00 0.00 O ATOM 1202 CB ASP A 78 20.346 15.452 -31.873 1.00 0.00 C ATOM 1203 CG ASP A 78 19.011 14.804 -32.162 1.00 0.00 C ATOM 1204 OD1 ASP A 78 18.989 13.789 -32.889 1.00 0.00 O ATOM 1205 OD2 ASP A 78 17.970 15.304 -31.673 1.00 0.00 O ATOM 0 H ASP A 78 19.771 16.046 -29.495 1.00 0.00 H new ATOM 0 HA ASP A 78 21.039 13.783 -30.778 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.201 16.522 -31.726 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.997 15.335 -32.739 1.00 0.00 H new ATOM 1210 N LEU A 79 23.339 14.455 -30.445 1.00 0.00 N ATOM 1211 CA LEU A 79 24.735 14.762 -30.186 1.00 0.00 C ATOM 1212 C LEU A 79 25.379 15.579 -31.281 1.00 0.00 C ATOM 1213 O LEU A 79 26.259 16.394 -31.014 1.00 0.00 O ATOM 1214 CB LEU A 79 25.538 13.503 -29.960 1.00 0.00 C ATOM 1215 CG LEU A 79 25.747 12.565 -31.168 1.00 0.00 C ATOM 1216 CD1 LEU A 79 26.890 11.605 -30.894 1.00 0.00 C ATOM 1217 CD2 LEU A 79 24.481 11.780 -31.486 1.00 0.00 C ATOM 0 H LEU A 79 23.143 13.460 -30.555 1.00 0.00 H new ATOM 0 HA LEU A 79 24.739 15.368 -29.280 1.00 0.00 H new ATOM 0 HB2 LEU A 79 26.520 13.793 -29.585 1.00 0.00 H new ATOM 0 HB3 LEU A 79 25.051 12.931 -29.170 1.00 0.00 H new ATOM 0 HG LEU A 79 25.991 13.184 -32.032 1.00 0.00 H new ATOM 0 HD11 LEU A 79 27.028 10.949 -31.753 1.00 0.00 H new ATOM 0 HD12 LEU A 79 27.806 12.170 -30.719 1.00 0.00 H new ATOM 0 HD13 LEU A 79 26.659 11.006 -30.013 1.00 0.00 H new ATOM 0 HD21 LEU A 79 24.662 11.129 -32.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 24.201 11.176 -30.623 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.673 12.473 -31.721 1.00 0.00 H new ATOM 1229 N ASN A 80 24.944 15.384 -32.493 1.00 0.00 N ATOM 1230 CA ASN A 80 25.500 16.127 -33.595 1.00 0.00 C ATOM 1231 C ASN A 80 25.001 17.554 -33.607 1.00 0.00 C ATOM 1232 O ASN A 80 25.696 18.462 -34.066 1.00 0.00 O ATOM 1233 CB ASN A 80 25.183 15.429 -34.924 1.00 0.00 C ATOM 1234 CG ASN A 80 25.676 16.201 -36.134 1.00 0.00 C ATOM 1235 OD1 ASN A 80 26.841 16.104 -36.517 1.00 0.00 O ATOM 1236 ND2 ASN A 80 24.782 16.940 -36.767 1.00 0.00 N ATOM 0 H ASN A 80 24.211 14.722 -32.746 1.00 0.00 H new ATOM 0 HA ASN A 80 26.582 16.158 -33.467 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.636 14.437 -34.924 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.105 15.287 -35.005 1.00 0.00 H new ATOM 0 HD21 ASN A 80 25.049 17.456 -37.605 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.825 16.994 -36.417 1.00 0.00 H new ATOM 1243 N THR A 81 23.812 17.774 -33.094 1.00 0.00 N ATOM 1244 CA THR A 81 23.221 19.113 -33.162 1.00 0.00 C ATOM 1245 C THR A 81 23.259 19.833 -31.823 1.00 0.00 C ATOM 1246 O THR A 81 22.983 21.029 -31.747 1.00 0.00 O ATOM 1247 CB THR A 81 21.761 19.044 -33.652 1.00 0.00 C ATOM 1248 OG1 THR A 81 20.983 18.283 -32.724 1.00 0.00 O ATOM 1249 CG2 THR A 81 21.689 18.389 -35.023 1.00 0.00 C ATOM 0 H THR A 81 23.237 17.069 -32.633 1.00 0.00 H new ATOM 0 HA THR A 81 23.825 19.678 -33.872 1.00 0.00 H new ATOM 0 HB THR A 81 21.368 20.058 -33.724 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.054 18.240 -33.034 1.00 0.00 H new ATOM 0 HG21 THR A 81 20.651 18.349 -35.353 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.274 18.971 -35.735 1.00 0.00 H new ATOM 0 HG23 THR A 81 22.090 17.377 -34.964 1.00 0.00 H new ATOM 1257 N ALA A 82 23.642 19.102 -30.785 1.00 0.00 N ATOM 1258 CA ALA A 82 23.641 19.594 -29.408 1.00 0.00 C ATOM 1259 C ALA A 82 22.235 20.042 -28.996 1.00 0.00 C ATOM 1260 O ALA A 82 22.063 20.865 -28.108 1.00 0.00 O ATOM 1261 CB ALA A 82 24.654 20.722 -29.231 1.00 0.00 C ATOM 0 H ALA A 82 23.966 18.139 -30.873 1.00 0.00 H new ATOM 0 HA ALA A 82 23.939 18.776 -28.752 1.00 0.00 H new ATOM 0 HB1 ALA A 82 24.634 21.070 -28.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.652 20.356 -29.471 1.00 0.00 H new ATOM 0 HB3 ALA A 82 24.400 21.547 -29.897 1.00 0.00 H new ATOM 1267 N LEU A 83 21.247 19.469 -29.657 1.00 0.00 N ATOM 1268 CA LEU A 83 19.843 19.810 -29.423 1.00 0.00 C ATOM 1269 C LEU A 83 19.013 18.567 -29.178 1.00 0.00 C ATOM 1270 O LEU A 83 19.313 17.526 -29.698 1.00 0.00 O ATOM 1271 CB LEU A 83 19.288 20.581 -30.614 1.00 0.00 C ATOM 1272 CG LEU A 83 20.128 21.769 -31.077 1.00 0.00 C ATOM 1273 CD1 LEU A 83 19.504 22.406 -32.297 1.00 0.00 C ATOM 1274 CD2 LEU A 83 20.275 22.799 -29.968 1.00 0.00 C ATOM 0 H LEU A 83 21.387 18.755 -30.371 1.00 0.00 H new ATOM 0 HA LEU A 83 19.789 20.436 -28.532 1.00 0.00 H new ATOM 0 HB2 LEU A 83 19.174 19.891 -31.450 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.291 20.941 -30.359 1.00 0.00 H new ATOM 0 HG LEU A 83 21.121 21.401 -31.335 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.112 23.252 -32.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.449 21.673 -33.102 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.500 22.753 -32.053 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.878 23.634 -30.325 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.290 23.161 -29.675 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.763 22.341 -29.108 1.00 0.00 H new ATOM 1286 N LYS A 84 17.968 18.686 -28.389 1.00 0.00 N ATOM 1287 CA LYS A 84 17.080 17.558 -28.146 1.00 0.00 C ATOM 1288 C LYS A 84 15.674 17.904 -28.557 1.00 0.00 C ATOM 1289 O LYS A 84 15.170 18.982 -28.240 1.00 0.00 O ATOM 1290 CB LYS A 84 17.119 17.115 -26.668 1.00 0.00 C ATOM 1291 CG LYS A 84 17.320 18.244 -25.688 1.00 0.00 C ATOM 1292 CD LYS A 84 17.625 17.740 -24.275 1.00 0.00 C ATOM 1293 CE LYS A 84 16.570 16.763 -23.768 1.00 0.00 C ATOM 1294 NZ LYS A 84 16.841 16.329 -22.371 1.00 0.00 N ATOM 0 H LYS A 84 17.709 19.545 -27.905 1.00 0.00 H new ATOM 0 HA LYS A 84 17.429 16.721 -28.750 1.00 0.00 H new ATOM 0 HB2 LYS A 84 16.187 16.604 -26.429 1.00 0.00 H new ATOM 0 HB3 LYS A 84 17.922 16.390 -26.539 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.139 18.877 -26.030 1.00 0.00 H new ATOM 0 HG3 LYS A 84 16.425 18.865 -25.664 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.600 17.254 -24.268 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.687 18.589 -23.594 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.587 17.232 -23.818 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.541 15.890 -24.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.461 15.372 -22.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.867 16.323 -22.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.385 16.988 -21.708 1.00 0.00 H new ATOM 1308 N THR A 85 15.032 16.986 -29.242 1.00 0.00 N ATOM 1309 CA THR A 85 13.696 17.206 -29.737 1.00 0.00 C ATOM 1310 C THR A 85 12.870 15.951 -29.520 1.00 0.00 C ATOM 1311 O THR A 85 13.355 14.841 -29.728 1.00 0.00 O ATOM 1312 CB THR A 85 13.718 17.517 -31.241 1.00 0.00 C ATOM 1313 OG1 THR A 85 14.824 18.387 -31.549 1.00 0.00 O ATOM 1314 CG2 THR A 85 12.419 18.179 -31.677 1.00 0.00 C ATOM 0 H THR A 85 15.420 16.071 -29.470 1.00 0.00 H new ATOM 0 HA THR A 85 13.264 18.051 -29.201 1.00 0.00 H new ATOM 0 HB THR A 85 13.831 16.576 -31.780 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.831 18.579 -32.510 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.459 18.389 -32.746 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.583 17.511 -31.469 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.284 19.111 -31.128 1.00 0.00 H new ATOM 1322 N ARG A 86 11.639 16.120 -29.096 1.00 0.00 N ATOM 1323 CA ARG A 86 10.749 14.995 -28.862 1.00 0.00 C ATOM 1324 C ARG A 86 9.343 15.332 -29.332 1.00 0.00 C ATOM 1325 O ARG A 86 8.851 16.441 -29.109 1.00 0.00 O ATOM 1326 CB ARG A 86 10.727 14.594 -27.377 1.00 0.00 C ATOM 1327 CG ARG A 86 12.058 14.070 -26.848 1.00 0.00 C ATOM 1328 CD ARG A 86 11.935 13.570 -25.415 1.00 0.00 C ATOM 1329 NE ARG A 86 11.065 12.392 -25.314 1.00 0.00 N ATOM 1330 CZ ARG A 86 10.533 11.940 -24.170 1.00 0.00 C ATOM 1331 NH1 ARG A 86 10.778 12.571 -23.024 1.00 0.00 N ATOM 1332 NH2 ARG A 86 9.760 10.856 -24.178 1.00 0.00 N ATOM 0 H ARG A 86 11.224 17.032 -28.903 1.00 0.00 H new ATOM 0 HA ARG A 86 11.126 14.147 -29.433 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.429 15.458 -26.784 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.965 13.829 -27.231 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.411 13.261 -27.487 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.806 14.862 -26.895 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.925 13.323 -25.031 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.539 14.367 -24.786 1.00 0.00 H new ATOM 0 HE ARG A 86 10.851 11.883 -26.172 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.372 13.400 -23.015 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.372 12.225 -22.155 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.573 10.370 -25.055 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.355 10.512 -23.307 1.00 0.00 H new ATOM 1346 N THR A 87 8.720 14.395 -30.003 1.00 0.00 N ATOM 1347 CA THR A 87 7.361 14.576 -30.472 1.00 0.00 C ATOM 1348 C THR A 87 6.511 13.393 -30.042 1.00 0.00 C ATOM 1349 O THR A 87 6.923 12.251 -30.191 1.00 0.00 O ATOM 1350 CB THR A 87 7.321 14.706 -32.007 1.00 0.00 C ATOM 1351 OG1 THR A 87 8.264 15.701 -32.429 1.00 0.00 O ATOM 1352 CG2 THR A 87 5.928 15.095 -32.486 1.00 0.00 C ATOM 0 H THR A 87 9.132 13.492 -30.240 1.00 0.00 H new ATOM 0 HA THR A 87 6.966 15.494 -30.036 1.00 0.00 H new ATOM 0 HB THR A 87 7.579 13.740 -32.440 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.239 15.782 -33.405 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.927 15.180 -33.573 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.212 14.332 -32.181 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.646 16.052 -32.047 1.00 0.00 H new ATOM 1360 N GLY A 88 5.333 13.662 -29.523 1.00 0.00 N ATOM 1361 CA GLY A 88 4.468 12.596 -29.081 1.00 0.00 C ATOM 1362 C GLY A 88 3.055 12.811 -29.518 1.00 0.00 C ATOM 1363 O GLY A 88 2.630 13.949 -29.710 1.00 0.00 O ATOM 0 H GLY A 88 4.957 14.602 -29.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.830 11.647 -29.476 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.505 12.524 -27.994 1.00 0.00 H new ATOM 1367 N SER A 89 2.324 11.735 -29.686 1.00 0.00 N ATOM 1368 CA SER A 89 0.957 11.831 -30.130 1.00 0.00 C ATOM 1369 C SER A 89 0.061 10.832 -29.426 1.00 0.00 C ATOM 1370 O SER A 89 0.488 9.723 -29.072 1.00 0.00 O ATOM 1371 CB SER A 89 0.884 11.644 -31.652 1.00 0.00 C ATOM 1372 OG SER A 89 1.592 10.477 -32.064 1.00 0.00 O ATOM 0 H SER A 89 2.654 10.784 -29.522 1.00 0.00 H new ATOM 0 HA SER A 89 0.593 12.826 -29.873 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.158 11.568 -31.962 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.301 12.520 -32.149 1.00 0.00 H new ATOM 0 HG SER A 89 1.527 10.382 -33.037 1.00 0.00 H new ATOM 1378 N LEU A 90 -1.176 11.239 -29.207 1.00 0.00 N ATOM 1379 CA LEU A 90 -2.168 10.414 -28.611 1.00 0.00 C ATOM 1380 C LEU A 90 -2.899 9.693 -29.742 1.00 0.00 C ATOM 1381 O LEU A 90 -3.453 10.331 -30.642 1.00 0.00 O ATOM 1382 CB LEU A 90 -3.069 11.357 -27.781 1.00 0.00 C ATOM 1383 CG LEU A 90 -4.343 10.850 -27.147 1.00 0.00 C ATOM 1384 CD1 LEU A 90 -5.391 10.673 -28.177 1.00 0.00 C ATOM 1385 CD2 LEU A 90 -4.107 9.585 -26.353 1.00 0.00 C ATOM 0 H LEU A 90 -1.509 12.172 -29.449 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.779 9.645 -27.944 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.453 11.765 -26.980 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.343 12.190 -28.428 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.694 11.598 -26.436 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.304 10.307 -27.708 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.590 11.629 -28.662 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.052 9.952 -28.921 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.047 9.251 -25.912 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.719 8.808 -27.012 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.385 9.782 -25.561 1.00 0.00 H new ATOM 1397 N LYS A 91 -2.878 8.369 -29.712 1.00 0.00 N ATOM 1398 CA LYS A 91 -3.445 7.579 -30.801 1.00 0.00 C ATOM 1399 C LYS A 91 -4.860 7.105 -30.506 1.00 0.00 C ATOM 1400 O LYS A 91 -5.563 6.632 -31.403 1.00 0.00 O ATOM 1401 CB LYS A 91 -2.532 6.398 -31.147 1.00 0.00 C ATOM 1402 CG LYS A 91 -1.297 6.798 -31.949 1.00 0.00 C ATOM 1403 CD LYS A 91 -0.395 5.604 -32.228 1.00 0.00 C ATOM 1404 CE LYS A 91 0.607 5.907 -33.338 1.00 0.00 C ATOM 1405 NZ LYS A 91 1.439 7.104 -33.048 1.00 0.00 N ATOM 0 H LYS A 91 -2.478 7.819 -28.952 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.511 8.236 -31.668 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.215 5.912 -30.224 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.102 5.663 -31.715 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.606 7.249 -32.892 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.738 7.556 -31.401 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.140 5.330 -31.318 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.004 4.745 -32.510 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.257 5.044 -33.481 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.071 6.061 -34.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.608 7.631 -33.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.943 7.715 -32.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.349 6.804 -32.644 1.00 0.00 H new ATOM 1419 N ARG A 92 -5.283 7.234 -29.263 1.00 0.00 N ATOM 1420 CA ARG A 92 -6.628 6.853 -28.880 1.00 0.00 C ATOM 1421 C ARG A 92 -7.006 7.496 -27.568 1.00 0.00 C ATOM 1422 O ARG A 92 -6.237 7.458 -26.608 1.00 0.00 O ATOM 1423 CB ARG A 92 -6.762 5.343 -28.766 1.00 0.00 C ATOM 1424 CG ARG A 92 -8.182 4.900 -28.494 1.00 0.00 C ATOM 1425 CD ARG A 92 -8.301 3.403 -28.486 1.00 0.00 C ATOM 1426 NE ARG A 92 -7.893 2.812 -29.767 1.00 0.00 N ATOM 1427 CZ ARG A 92 -8.594 1.895 -30.440 1.00 0.00 C ATOM 1428 NH1 ARG A 92 -9.787 1.507 -30.004 1.00 0.00 N ATOM 1429 NH2 ARG A 92 -8.110 1.394 -31.573 1.00 0.00 N ATOM 0 H ARG A 92 -4.713 7.600 -28.500 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.304 7.202 -29.660 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.413 4.881 -29.689 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.115 4.985 -27.966 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.510 5.297 -27.533 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.845 5.314 -29.253 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.684 2.995 -27.685 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.332 3.122 -28.269 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.011 3.124 -30.172 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.174 1.910 -29.150 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.317 0.807 -30.523 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.206 1.710 -31.925 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.642 0.694 -32.089 1.00 0.00 H new ATOM 1443 N ALA A 93 -8.189 8.057 -27.515 1.00 0.00 N ATOM 1444 CA ALA A 93 -8.668 8.701 -26.318 1.00 0.00 C ATOM 1445 C ALA A 93 -9.839 7.927 -25.766 1.00 0.00 C ATOM 1446 O ALA A 93 -10.598 7.319 -26.522 1.00 0.00 O ATOM 1447 CB ALA A 93 -9.068 10.142 -26.609 1.00 0.00 C ATOM 0 H ALA A 93 -8.844 8.080 -28.297 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.869 8.717 -25.577 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.427 10.612 -25.693 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.204 10.691 -26.984 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.859 10.156 -27.358 1.00 0.00 H new ATOM 1453 N LEU A 94 -9.990 7.943 -24.466 1.00 0.00 N ATOM 1454 CA LEU A 94 -11.066 7.216 -23.829 1.00 0.00 C ATOM 1455 C LEU A 94 -12.325 8.062 -23.805 1.00 0.00 C ATOM 1456 O LEU A 94 -12.294 9.244 -24.153 1.00 0.00 O ATOM 1457 CB LEU A 94 -10.676 6.792 -22.402 1.00 0.00 C ATOM 1458 CG LEU A 94 -9.747 5.569 -22.276 1.00 0.00 C ATOM 1459 CD1 LEU A 94 -8.413 5.801 -22.972 1.00 0.00 C ATOM 1460 CD2 LEU A 94 -9.528 5.226 -20.814 1.00 0.00 C ATOM 0 H LEU A 94 -9.382 8.452 -23.824 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.259 6.313 -24.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.193 7.639 -21.915 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.590 6.584 -21.846 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.234 4.729 -22.771 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.786 4.916 -22.861 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.584 5.994 -24.031 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.913 6.659 -22.523 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.870 4.360 -20.738 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.071 6.075 -20.306 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.486 4.996 -20.347 1.00 0.00 H new ATOM 1472 N HIS A 95 -13.427 7.467 -23.399 1.00 0.00 N ATOM 1473 CA HIS A 95 -14.692 8.186 -23.340 1.00 0.00 C ATOM 1474 C HIS A 95 -14.745 9.064 -22.101 1.00 0.00 C ATOM 1475 O HIS A 95 -15.535 9.999 -22.020 1.00 0.00 O ATOM 1476 CB HIS A 95 -15.882 7.216 -23.366 1.00 0.00 C ATOM 1477 CG HIS A 95 -16.004 6.442 -24.648 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -16.405 7.012 -25.834 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -15.768 5.139 -24.926 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -16.412 6.096 -26.783 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -16.028 4.952 -26.259 1.00 0.00 N ATOM 0 H HIS A 95 -13.478 6.492 -23.105 1.00 0.00 H new ATOM 0 HA HIS A 95 -14.760 8.823 -24.222 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -15.786 6.515 -22.537 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -16.801 7.779 -23.203 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -15.436 4.386 -24.227 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -16.686 6.258 -27.815 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -15.938 4.070 -26.763 1.00 0.00 H new ATOM 1490 N ASN A 96 -13.885 8.760 -21.146 1.00 0.00 N ATOM 1491 CA ASN A 96 -13.808 9.520 -19.910 1.00 0.00 C ATOM 1492 C ASN A 96 -12.404 10.128 -19.762 1.00 0.00 C ATOM 1493 O ASN A 96 -11.856 10.227 -18.668 1.00 0.00 O ATOM 1494 CB ASN A 96 -14.160 8.606 -18.716 1.00 0.00 C ATOM 1495 CG ASN A 96 -14.419 9.363 -17.418 1.00 0.00 C ATOM 1496 OD1 ASN A 96 -15.518 9.878 -17.195 1.00 0.00 O ATOM 1497 ND2 ASN A 96 -13.429 9.406 -16.546 1.00 0.00 N ATOM 0 H ASN A 96 -13.224 7.985 -21.203 1.00 0.00 H new ATOM 0 HA ASN A 96 -14.528 10.338 -19.931 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -15.044 8.020 -18.967 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -13.345 7.900 -18.558 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -13.558 9.877 -15.651 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.535 8.968 -16.768 1.00 0.00 H new ATOM 1504 N ALA A 97 -11.847 10.560 -20.883 1.00 0.00 N ATOM 1505 CA ALA A 97 -10.506 11.144 -20.903 1.00 0.00 C ATOM 1506 C ALA A 97 -10.307 12.034 -22.124 1.00 0.00 C ATOM 1507 O ALA A 97 -10.491 11.595 -23.259 1.00 0.00 O ATOM 1508 CB ALA A 97 -9.444 10.053 -20.872 1.00 0.00 C ATOM 0 H ALA A 97 -12.301 10.519 -21.796 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.403 11.762 -20.011 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.454 10.509 -20.888 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.557 9.461 -19.964 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.560 9.407 -21.743 1.00 0.00 H new ATOM 1514 N GLU A 98 -9.936 13.280 -21.887 1.00 0.00 N ATOM 1515 CA GLU A 98 -9.700 14.230 -22.966 1.00 0.00 C ATOM 1516 C GLU A 98 -8.219 14.571 -23.067 1.00 0.00 C ATOM 1517 O GLU A 98 -7.616 15.050 -22.105 1.00 0.00 O ATOM 1518 CB GLU A 98 -10.509 15.503 -22.746 1.00 0.00 C ATOM 1519 CG GLU A 98 -12.009 15.287 -22.742 1.00 0.00 C ATOM 1520 CD GLU A 98 -12.766 16.555 -22.451 1.00 0.00 C ATOM 1521 OE1 GLU A 98 -12.912 17.393 -23.369 1.00 0.00 O ATOM 1522 OE2 GLU A 98 -13.222 16.730 -21.302 1.00 0.00 O ATOM 0 H GLU A 98 -9.790 13.661 -20.952 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.019 13.766 -23.899 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.214 15.949 -21.796 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.258 16.221 -23.527 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.320 14.894 -23.710 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.264 14.534 -21.996 1.00 0.00 H new ATOM 1529 N CYS A 99 -7.651 14.341 -24.238 1.00 0.00 N ATOM 1530 CA CYS A 99 -6.240 14.592 -24.450 1.00 0.00 C ATOM 1531 C CYS A 99 -5.949 15.075 -25.861 1.00 0.00 C ATOM 1532 O CYS A 99 -6.651 14.722 -26.816 1.00 0.00 O ATOM 1533 CB CYS A 99 -5.421 13.348 -24.113 1.00 0.00 C ATOM 1534 SG CYS A 99 -5.529 12.854 -22.356 1.00 0.00 S ATOM 0 H CYS A 99 -8.146 13.981 -25.054 1.00 0.00 H new ATOM 0 HA CYS A 99 -5.945 15.396 -23.776 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.760 12.520 -24.736 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.377 13.531 -24.367 1.00 0.00 H new ATOM 1539 N GLN A 100 -4.925 15.909 -25.968 1.00 0.00 N ATOM 1540 CA GLN A 100 -4.476 16.455 -27.240 1.00 0.00 C ATOM 1541 C GLN A 100 -3.857 15.376 -28.116 1.00 0.00 C ATOM 1542 O GLN A 100 -3.321 14.393 -27.622 1.00 0.00 O ATOM 1543 CB GLN A 100 -3.499 17.632 -27.045 1.00 0.00 C ATOM 1544 CG GLN A 100 -2.422 17.416 -25.986 1.00 0.00 C ATOM 1545 CD GLN A 100 -2.898 17.764 -24.582 1.00 0.00 C ATOM 1546 OE1 GLN A 100 -3.422 16.917 -23.858 1.00 0.00 O ATOM 1547 NE2 GLN A 100 -2.733 19.011 -24.199 1.00 0.00 N ATOM 0 H GLN A 100 -4.378 16.228 -25.168 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.357 16.842 -27.752 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.012 17.840 -27.998 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.073 18.520 -26.780 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.100 16.375 -26.008 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.551 18.024 -26.231 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.294 19.684 -24.828 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.044 19.306 -23.273 1.00 0.00 H new ATOM 1556 N LYS A 101 -3.934 15.582 -29.418 1.00 0.00 N ATOM 1557 CA LYS A 101 -3.493 14.614 -30.383 1.00 0.00 C ATOM 1558 C LYS A 101 -1.985 14.553 -30.435 1.00 0.00 C ATOM 1559 O LYS A 101 -1.422 13.493 -30.627 1.00 0.00 O ATOM 1560 CB LYS A 101 -4.048 14.961 -31.768 1.00 0.00 C ATOM 1561 CG LYS A 101 -3.566 14.043 -32.885 1.00 0.00 C ATOM 1562 CD LYS A 101 -4.044 14.522 -34.248 1.00 0.00 C ATOM 1563 CE LYS A 101 -3.396 15.847 -34.637 1.00 0.00 C ATOM 1564 NZ LYS A 101 -3.909 16.361 -35.929 1.00 0.00 N ATOM 0 H LYS A 101 -4.309 16.436 -29.831 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.867 13.636 -30.080 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.137 14.926 -31.729 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.770 15.987 -32.011 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.477 13.998 -32.876 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.928 13.031 -32.707 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.813 13.768 -35.001 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.128 14.637 -34.234 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.581 16.584 -33.855 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.316 15.716 -34.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.442 17.262 -36.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.710 15.671 -36.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.936 16.511 -35.860 1.00 0.00 H new ATOM 1578 N THR A 102 -1.322 15.684 -30.268 1.00 0.00 N ATOM 1579 CA THR A 102 0.119 15.658 -30.303 1.00 0.00 C ATOM 1580 C THR A 102 0.765 16.822 -29.560 1.00 0.00 C ATOM 1581 O THR A 102 0.218 17.922 -29.469 1.00 0.00 O ATOM 1582 CB THR A 102 0.641 15.601 -31.769 1.00 0.00 C ATOM 1583 OG1 THR A 102 2.077 15.570 -31.803 1.00 0.00 O ATOM 1584 CG2 THR A 102 0.129 16.783 -32.585 1.00 0.00 C ATOM 0 H THR A 102 -1.745 16.599 -30.112 1.00 0.00 H new ATOM 0 HA THR A 102 0.413 14.749 -29.778 1.00 0.00 H new ATOM 0 HB THR A 102 0.259 14.682 -32.214 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.407 14.941 -31.127 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.511 16.715 -33.604 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.961 16.767 -32.604 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.470 17.713 -32.131 1.00 0.00 H new ATOM 1592 N VAL A 103 1.933 16.528 -29.023 1.00 0.00 N ATOM 1593 CA VAL A 103 2.770 17.503 -28.343 1.00 0.00 C ATOM 1594 C VAL A 103 4.195 17.425 -28.837 1.00 0.00 C ATOM 1595 O VAL A 103 4.728 16.343 -29.098 1.00 0.00 O ATOM 1596 CB VAL A 103 2.745 17.327 -26.799 1.00 0.00 C ATOM 1597 CG1 VAL A 103 1.367 17.642 -26.233 1.00 0.00 C ATOM 1598 CG2 VAL A 103 3.164 15.917 -26.409 1.00 0.00 C ATOM 0 H VAL A 103 2.335 15.591 -29.046 1.00 0.00 H new ATOM 0 HA VAL A 103 2.357 18.484 -28.576 1.00 0.00 H new ATOM 0 HB VAL A 103 3.459 18.033 -26.374 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.379 17.510 -25.151 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.103 18.673 -26.470 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.631 16.969 -26.672 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.139 15.817 -25.324 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.478 15.197 -26.856 1.00 0.00 H new ATOM 0 HG23 VAL A 103 4.175 15.726 -26.768 1.00 0.00 H new ATOM 1608 N THR A 104 4.785 18.569 -29.005 1.00 0.00 N ATOM 1609 CA THR A 104 6.136 18.664 -29.467 1.00 0.00 C ATOM 1610 C THR A 104 6.947 19.579 -28.555 1.00 0.00 C ATOM 1611 O THR A 104 6.485 20.662 -28.183 1.00 0.00 O ATOM 1612 CB THR A 104 6.155 19.196 -30.902 1.00 0.00 C ATOM 1613 OG1 THR A 104 5.336 18.351 -31.725 1.00 0.00 O ATOM 1614 CG2 THR A 104 7.571 19.238 -31.460 1.00 0.00 C ATOM 0 H THR A 104 4.340 19.469 -28.824 1.00 0.00 H new ATOM 0 HA THR A 104 6.587 17.672 -29.448 1.00 0.00 H new ATOM 0 HB THR A 104 5.766 20.214 -30.900 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.342 18.686 -32.646 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.549 19.620 -32.480 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.187 19.891 -30.841 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.993 18.233 -31.458 1.00 0.00 H new ATOM 1622 N ILE A 105 8.135 19.135 -28.184 1.00 0.00 N ATOM 1623 CA ILE A 105 9.018 19.917 -27.334 1.00 0.00 C ATOM 1624 C ILE A 105 10.448 19.850 -27.865 1.00 0.00 C ATOM 1625 O ILE A 105 10.946 18.770 -28.208 1.00 0.00 O ATOM 1626 CB ILE A 105 8.993 19.467 -25.828 1.00 0.00 C ATOM 1627 CG1 ILE A 105 9.308 17.957 -25.656 1.00 0.00 C ATOM 1628 CG2 ILE A 105 7.657 19.818 -25.176 1.00 0.00 C ATOM 1629 CD1 ILE A 105 8.149 17.022 -25.972 1.00 0.00 C ATOM 0 H ILE A 105 8.514 18.229 -28.461 1.00 0.00 H new ATOM 0 HA ILE A 105 8.648 20.942 -27.364 1.00 0.00 H new ATOM 0 HB ILE A 105 9.785 20.018 -25.321 1.00 0.00 H new ATOM 0 HG12 ILE A 105 10.149 17.700 -26.300 1.00 0.00 H new ATOM 0 HG13 ILE A 105 9.628 17.782 -24.629 1.00 0.00 H new ATOM 0 HG21 ILE A 105 7.665 19.496 -24.135 1.00 0.00 H new ATOM 0 HG22 ILE A 105 7.502 20.896 -25.222 1.00 0.00 H new ATOM 0 HG23 ILE A 105 6.850 19.312 -25.706 1.00 0.00 H new ATOM 0 HD11 ILE A 105 8.464 15.989 -25.823 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.311 17.245 -25.311 1.00 0.00 H new ATOM 0 HD13 ILE A 105 7.841 17.162 -27.008 1.00 0.00 H new ATOM 1641 N SER A 106 11.091 20.998 -27.972 1.00 0.00 N ATOM 1642 CA SER A 106 12.449 21.070 -28.471 1.00 0.00 C ATOM 1643 C SER A 106 13.290 21.931 -27.535 1.00 0.00 C ATOM 1644 O SER A 106 12.924 23.073 -27.244 1.00 0.00 O ATOM 1645 CB SER A 106 12.445 21.673 -29.874 1.00 0.00 C ATOM 1646 OG SER A 106 11.416 21.091 -30.663 1.00 0.00 O ATOM 0 H SER A 106 10.689 21.900 -27.717 1.00 0.00 H new ATOM 0 HA SER A 106 12.877 20.068 -28.515 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.298 22.751 -29.812 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.412 21.510 -30.349 1.00 0.00 H new ATOM 0 HG SER A 106 11.426 21.489 -31.558 1.00 0.00 H new ATOM 1652 N LYS A 107 14.403 21.399 -27.067 1.00 0.00 N ATOM 1653 CA LYS A 107 15.259 22.130 -26.147 1.00 0.00 C ATOM 1654 C LYS A 107 16.729 22.007 -26.526 1.00 0.00 C ATOM 1655 O LYS A 107 17.183 20.940 -26.933 1.00 0.00 O ATOM 1656 CB LYS A 107 15.044 21.651 -24.702 1.00 0.00 C ATOM 1657 CG LYS A 107 13.692 22.036 -24.113 1.00 0.00 C ATOM 1658 CD LYS A 107 13.561 21.577 -22.670 1.00 0.00 C ATOM 1659 CE LYS A 107 12.255 22.054 -22.047 1.00 0.00 C ATOM 1660 NZ LYS A 107 11.065 21.513 -22.755 1.00 0.00 N ATOM 0 H LYS A 107 14.737 20.465 -27.307 1.00 0.00 H new ATOM 0 HA LYS A 107 14.981 23.182 -26.215 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.146 20.566 -24.671 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.833 22.063 -24.073 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.566 23.118 -24.165 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.895 21.594 -24.710 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.609 20.489 -22.628 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.402 21.956 -22.089 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.222 21.751 -21.000 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.222 23.143 -22.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.205 21.751 -22.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.008 21.930 -23.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.149 20.479 -22.835 1.00 0.00 H new ATOM 1674 N PRO A 108 17.477 23.111 -26.442 1.00 0.00 N ATOM 1675 CA PRO A 108 18.919 23.079 -26.664 1.00 0.00 C ATOM 1676 C PRO A 108 19.597 22.199 -25.613 1.00 0.00 C ATOM 1677 O PRO A 108 19.450 22.428 -24.409 1.00 0.00 O ATOM 1678 CB PRO A 108 19.354 24.542 -26.507 1.00 0.00 C ATOM 1679 CG PRO A 108 18.100 25.334 -26.656 1.00 0.00 C ATOM 1680 CD PRO A 108 16.993 24.464 -26.141 1.00 0.00 C ATOM 0 HA PRO A 108 19.189 22.666 -27.636 1.00 0.00 H new ATOM 0 HB2 PRO A 108 19.817 24.714 -25.535 1.00 0.00 H new ATOM 0 HB3 PRO A 108 20.088 24.819 -27.263 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.158 26.265 -26.092 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.931 25.603 -27.699 1.00 0.00 H new ATOM 0 HD2 PRO A 108 16.830 24.607 -25.073 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.047 24.676 -26.639 1.00 0.00 H new ATOM 1688 N CYS A 109 20.324 21.196 -26.064 1.00 0.00 N ATOM 1689 CA CYS A 109 20.955 20.251 -25.157 1.00 0.00 C ATOM 1690 C CYS A 109 22.283 20.808 -24.643 1.00 0.00 C ATOM 1691 O CYS A 109 22.692 21.910 -25.017 1.00 0.00 O ATOM 1692 CB CYS A 109 21.162 18.896 -25.855 1.00 0.00 C ATOM 1693 SG CYS A 109 21.570 17.513 -24.732 1.00 0.00 S ATOM 0 H CYS A 109 20.494 21.012 -27.053 1.00 0.00 H new ATOM 0 HA CYS A 109 20.298 20.097 -24.301 1.00 0.00 H new ATOM 0 HB2 CYS A 109 20.256 18.644 -26.405 1.00 0.00 H new ATOM 0 HB3 CYS A 109 21.962 18.999 -26.588 1.00 0.00 H new ATOM 1698 N GLY A 110 22.942 20.053 -23.779 1.00 0.00 N ATOM 1699 CA GLY A 110 24.185 20.505 -23.198 1.00 0.00 C ATOM 1700 C GLY A 110 23.943 21.224 -21.895 1.00 0.00 C ATOM 1701 O GLY A 110 24.620 20.975 -20.896 1.00 0.00 O ATOM 0 H GLY A 110 22.635 19.131 -23.469 1.00 0.00 H new ATOM 0 HA2 GLY A 110 24.843 19.653 -23.030 1.00 0.00 H new ATOM 0 HA3 GLY A 110 24.696 21.170 -23.895 1.00 0.00 H new ATOM 1705 N LYS A 111 22.966 22.107 -21.904 1.00 0.00 N ATOM 1706 CA LYS A 111 22.599 22.852 -20.723 1.00 0.00 C ATOM 1707 C LYS A 111 21.620 22.062 -19.881 1.00 0.00 C ATOM 1708 O LYS A 111 20.481 21.835 -20.291 1.00 0.00 O ATOM 1709 CB LYS A 111 21.989 24.191 -21.104 1.00 0.00 C ATOM 1710 CG LYS A 111 22.929 25.086 -21.882 1.00 0.00 C ATOM 1711 CD LYS A 111 22.266 26.406 -22.256 1.00 0.00 C ATOM 1712 CE LYS A 111 21.032 26.189 -23.127 1.00 0.00 C ATOM 1713 NZ LYS A 111 20.352 27.467 -23.456 1.00 0.00 N ATOM 0 H LYS A 111 22.407 22.326 -22.729 1.00 0.00 H new ATOM 0 HA LYS A 111 23.502 23.031 -20.140 1.00 0.00 H new ATOM 0 HB2 LYS A 111 21.092 24.016 -21.698 1.00 0.00 H new ATOM 0 HB3 LYS A 111 21.675 24.709 -20.198 1.00 0.00 H new ATOM 0 HG2 LYS A 111 23.821 25.282 -21.287 1.00 0.00 H new ATOM 0 HG3 LYS A 111 23.255 24.573 -22.787 1.00 0.00 H new ATOM 0 HD2 LYS A 111 21.983 26.941 -21.350 1.00 0.00 H new ATOM 0 HD3 LYS A 111 22.981 27.035 -22.787 1.00 0.00 H new ATOM 0 HE2 LYS A 111 21.323 25.685 -24.049 1.00 0.00 H new ATOM 0 HE3 LYS A 111 20.335 25.530 -22.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 19.519 27.275 -24.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 20.051 27.936 -22.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.009 28.087 -23.972 1.00 0.00 H new ATOM 1727 N LEU A 112 22.079 21.653 -18.706 1.00 0.00 N ATOM 1728 CA LEU A 112 21.275 20.887 -17.752 1.00 0.00 C ATOM 1729 C LEU A 112 20.751 19.582 -18.349 1.00 0.00 C ATOM 1730 O LEU A 112 19.643 19.525 -18.892 1.00 0.00 O ATOM 1731 CB LEU A 112 20.110 21.724 -17.198 1.00 0.00 C ATOM 1732 CG LEU A 112 20.470 22.851 -16.214 1.00 0.00 C ATOM 1733 CD1 LEU A 112 21.379 22.340 -15.112 1.00 0.00 C ATOM 1734 CD2 LEU A 112 21.099 24.038 -16.935 1.00 0.00 C ATOM 0 H LEU A 112 23.027 21.843 -18.382 1.00 0.00 H new ATOM 0 HA LEU A 112 21.941 20.629 -16.928 1.00 0.00 H new ATOM 0 HB2 LEU A 112 19.579 22.166 -18.041 1.00 0.00 H new ATOM 0 HB3 LEU A 112 19.413 21.049 -16.701 1.00 0.00 H new ATOM 0 HG LEU A 112 19.544 23.197 -15.754 1.00 0.00 H new ATOM 0 HD11 LEU A 112 21.618 23.156 -14.430 1.00 0.00 H new ATOM 0 HD12 LEU A 112 20.874 21.545 -14.563 1.00 0.00 H new ATOM 0 HD13 LEU A 112 22.298 21.951 -15.550 1.00 0.00 H new ATOM 0 HD21 LEU A 112 21.341 24.816 -16.211 1.00 0.00 H new ATOM 0 HD22 LEU A 112 22.010 23.716 -17.440 1.00 0.00 H new ATOM 0 HD23 LEU A 112 20.396 24.432 -17.670 1.00 0.00 H new ATOM 1746 N THR A 113 21.553 18.544 -18.258 1.00 0.00 N ATOM 1747 CA THR A 113 21.166 17.242 -18.746 1.00 0.00 C ATOM 1748 C THR A 113 20.514 16.436 -17.628 1.00 0.00 C ATOM 1749 O THR A 113 21.117 16.224 -16.574 1.00 0.00 O ATOM 1750 CB THR A 113 22.381 16.476 -19.296 1.00 0.00 C ATOM 1751 OG1 THR A 113 23.466 16.541 -18.355 1.00 0.00 O ATOM 1752 CG2 THR A 113 22.827 17.055 -20.632 1.00 0.00 C ATOM 0 H THR A 113 22.485 18.579 -17.846 1.00 0.00 H new ATOM 0 HA THR A 113 20.450 17.383 -19.556 1.00 0.00 H new ATOM 0 HB THR A 113 22.091 15.436 -19.448 1.00 0.00 H new ATOM 0 HG1 THR A 113 23.107 16.594 -17.445 1.00 0.00 H new ATOM 0 HG21 THR A 113 23.688 16.497 -21.001 1.00 0.00 H new ATOM 0 HG22 THR A 113 22.011 16.981 -21.351 1.00 0.00 H new ATOM 0 HG23 THR A 113 23.102 18.102 -20.501 1.00 0.00 H new ATOM 1760 N LYS A 114 19.287 15.997 -17.849 1.00 0.00 N ATOM 1761 CA LYS A 114 18.568 15.241 -16.840 1.00 0.00 C ATOM 1762 C LYS A 114 17.545 14.310 -17.482 1.00 0.00 C ATOM 1763 O LYS A 114 16.402 14.703 -17.727 1.00 0.00 O ATOM 1764 CB LYS A 114 17.873 16.189 -15.855 1.00 0.00 C ATOM 1765 CG LYS A 114 17.184 15.484 -14.690 1.00 0.00 C ATOM 1766 CD LYS A 114 16.392 16.461 -13.833 1.00 0.00 C ATOM 1767 CE LYS A 114 17.289 17.523 -13.211 1.00 0.00 C ATOM 1768 NZ LYS A 114 16.513 18.496 -12.407 1.00 0.00 N ATOM 0 H LYS A 114 18.770 16.150 -18.715 1.00 0.00 H new ATOM 0 HA LYS A 114 19.291 14.633 -16.295 1.00 0.00 H new ATOM 0 HB2 LYS A 114 18.610 16.887 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 114 17.134 16.780 -16.396 1.00 0.00 H new ATOM 0 HG2 LYS A 114 16.517 14.713 -15.074 1.00 0.00 H new ATOM 0 HG3 LYS A 114 17.931 14.982 -14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 114 15.628 16.943 -14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 114 15.874 15.915 -13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 114 18.036 17.043 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 114 17.828 18.050 -13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 17.158 19.203 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 15.817 18.972 -13.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 16.018 17.997 -11.640 1.00 0.00 H new ATOM 1782 N PRO A 115 17.961 13.082 -17.814 1.00 0.00 N ATOM 1783 CA PRO A 115 17.066 12.069 -18.380 1.00 0.00 C ATOM 1784 C PRO A 115 16.023 11.615 -17.381 1.00 0.00 C ATOM 1785 O PRO A 115 16.286 11.554 -16.178 1.00 0.00 O ATOM 1786 CB PRO A 115 18.001 10.887 -18.677 1.00 0.00 C ATOM 1787 CG PRO A 115 19.361 11.484 -18.722 1.00 0.00 C ATOM 1788 CD PRO A 115 19.338 12.583 -17.702 1.00 0.00 C ATOM 0 HA PRO A 115 16.527 12.453 -19.246 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.930 10.122 -17.904 1.00 0.00 H new ATOM 0 HB3 PRO A 115 17.747 10.409 -19.623 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.125 10.743 -18.486 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.589 11.872 -19.715 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.557 12.213 -16.700 1.00 0.00 H new ATOM 0 HD3 PRO A 115 20.071 13.359 -17.923 1.00 0.00 H new ATOM 1796 N LYS A 116 14.849 11.307 -17.871 1.00 0.00 N ATOM 1797 CA LYS A 116 13.815 10.747 -17.035 1.00 0.00 C ATOM 1798 C LYS A 116 12.908 9.816 -17.854 1.00 0.00 C ATOM 1799 O LYS A 116 11.718 10.091 -18.030 1.00 0.00 O ATOM 1800 CB LYS A 116 12.999 11.850 -16.327 1.00 0.00 C ATOM 1801 CG LYS A 116 12.004 11.315 -15.291 1.00 0.00 C ATOM 1802 CD LYS A 116 11.293 12.438 -14.537 1.00 0.00 C ATOM 1803 CE LYS A 116 12.241 13.180 -13.601 1.00 0.00 C ATOM 1804 NZ LYS A 116 11.533 14.215 -12.800 1.00 0.00 N ATOM 0 H LYS A 116 14.584 11.435 -18.848 1.00 0.00 H new ATOM 0 HA LYS A 116 14.295 10.155 -16.255 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.686 12.538 -15.835 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.455 12.424 -17.077 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.264 10.690 -15.790 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.530 10.679 -14.579 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.864 13.141 -15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.465 12.023 -13.962 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.721 12.467 -12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.032 13.651 -14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.212 14.696 -12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.097 14.910 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.795 13.763 -12.224 1.00 0.00 H new ATOM 1818 N PRO A 117 13.487 8.731 -18.446 1.00 0.00 N ATOM 1819 CA PRO A 117 12.707 7.722 -19.169 1.00 0.00 C ATOM 1820 C PRO A 117 11.703 7.023 -18.251 1.00 0.00 C ATOM 1821 O PRO A 117 12.017 6.010 -17.617 1.00 0.00 O ATOM 1822 CB PRO A 117 13.759 6.717 -19.664 1.00 0.00 C ATOM 1823 CG PRO A 117 15.053 7.456 -19.627 1.00 0.00 C ATOM 1824 CD PRO A 117 14.941 8.449 -18.507 1.00 0.00 C ATOM 0 HA PRO A 117 12.121 8.164 -19.975 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.791 5.834 -19.026 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.531 6.373 -20.673 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.886 6.773 -19.459 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.240 7.960 -20.575 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.311 8.039 -17.567 1.00 0.00 H new ATOM 0 HD3 PRO A 117 15.518 9.351 -18.710 1.00 0.00 H new ATOM 1832 N GLN A 118 10.512 7.583 -18.167 1.00 0.00 N ATOM 1833 CA GLN A 118 9.471 7.041 -17.317 1.00 0.00 C ATOM 1834 C GLN A 118 8.571 6.112 -18.121 1.00 0.00 C ATOM 1835 O GLN A 118 8.009 5.149 -17.585 1.00 0.00 O ATOM 1836 CB GLN A 118 8.658 8.182 -16.693 1.00 0.00 C ATOM 1837 CG GLN A 118 7.689 7.737 -15.610 1.00 0.00 C ATOM 1838 CD GLN A 118 6.945 8.899 -14.978 1.00 0.00 C ATOM 1839 OE1 GLN A 118 7.457 10.019 -14.897 1.00 0.00 O ATOM 1840 NE2 GLN A 118 5.739 8.645 -14.522 1.00 0.00 N ATOM 0 H GLN A 118 10.240 8.420 -18.682 1.00 0.00 H new ATOM 0 HA GLN A 118 9.928 6.464 -16.513 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.346 8.914 -16.271 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.098 8.687 -17.480 1.00 0.00 H new ATOM 0 HG2 GLN A 118 6.969 7.039 -16.037 1.00 0.00 H new ATOM 0 HG3 GLN A 118 8.237 7.198 -14.837 1.00 0.00 H new ATOM 0 HE21 GLN A 118 5.349 7.706 -14.607 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.193 9.386 -14.083 1.00 0.00 H new ATOM 1849 N ALA A 119 8.450 6.401 -19.414 1.00 0.00 N ATOM 1850 CA ALA A 119 7.657 5.589 -20.310 1.00 0.00 C ATOM 1851 C ALA A 119 8.326 4.243 -20.535 1.00 0.00 C ATOM 1852 O ALA A 119 9.284 4.125 -21.304 1.00 0.00 O ATOM 1853 CB ALA A 119 7.439 6.311 -21.633 1.00 0.00 C ATOM 0 H ALA A 119 8.899 7.201 -19.860 1.00 0.00 H new ATOM 0 HA ALA A 119 6.683 5.416 -19.852 1.00 0.00 H new ATOM 0 HB1 ALA A 119 6.840 5.685 -22.295 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.918 7.251 -21.453 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.403 6.514 -22.100 1.00 0.00 H new ATOM 1859 N GLU A 120 7.835 3.238 -19.847 1.00 0.00 N ATOM 1860 CA GLU A 120 8.394 1.909 -19.930 1.00 0.00 C ATOM 1861 C GLU A 120 7.620 1.030 -20.906 1.00 0.00 C ATOM 1862 O GLU A 120 6.384 0.944 -20.853 1.00 0.00 O ATOM 1863 CB GLU A 120 8.421 1.266 -18.550 1.00 0.00 C ATOM 1864 CG GLU A 120 7.095 1.345 -17.815 1.00 0.00 C ATOM 1865 CD GLU A 120 7.068 0.492 -16.577 1.00 0.00 C ATOM 1866 OE1 GLU A 120 7.743 0.849 -15.594 1.00 0.00 O ATOM 1867 OE2 GLU A 120 6.358 -0.542 -16.583 1.00 0.00 O ATOM 0 H GLU A 120 7.038 3.319 -19.215 1.00 0.00 H new ATOM 0 HA GLU A 120 9.413 2.000 -20.306 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.708 0.219 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.190 1.750 -17.948 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.896 2.381 -17.542 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.294 1.033 -18.484 1.00 0.00 H new ATOM 1874 N SER A 121 8.347 0.382 -21.785 1.00 0.00 N ATOM 1875 CA SER A 121 7.772 -0.515 -22.760 1.00 0.00 C ATOM 1876 C SER A 121 8.485 -1.866 -22.692 1.00 0.00 C ATOM 1877 O SER A 121 9.174 -2.148 -21.711 1.00 0.00 O ATOM 1878 CB SER A 121 7.901 0.100 -24.156 1.00 0.00 C ATOM 1879 OG SER A 121 9.234 0.520 -24.400 1.00 0.00 O ATOM 0 H SER A 121 9.362 0.463 -21.844 1.00 0.00 H new ATOM 0 HA SER A 121 6.715 -0.670 -22.546 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.601 -0.629 -24.909 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.225 0.950 -24.248 1.00 0.00 H new ATOM 0 HG SER A 121 9.225 1.376 -24.878 1.00 0.00 H new ATOM 1885 N LYS A 122 8.285 -2.703 -23.717 1.00 0.00 N ATOM 1886 CA LYS A 122 8.948 -4.016 -23.832 1.00 0.00 C ATOM 1887 C LYS A 122 8.347 -5.075 -22.903 1.00 0.00 C ATOM 1888 O LYS A 122 8.768 -6.233 -22.927 1.00 0.00 O ATOM 1889 CB LYS A 122 10.469 -3.902 -23.606 1.00 0.00 C ATOM 1890 CG LYS A 122 11.195 -3.058 -24.647 1.00 0.00 C ATOM 1891 CD LYS A 122 11.201 -3.731 -26.011 1.00 0.00 C ATOM 1892 CE LYS A 122 11.943 -2.892 -27.040 1.00 0.00 C ATOM 1893 NZ LYS A 122 12.046 -3.585 -28.349 1.00 0.00 N ATOM 0 H LYS A 122 7.658 -2.492 -24.494 1.00 0.00 H new ATOM 0 HA LYS A 122 8.770 -4.351 -24.854 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.647 -3.474 -22.620 1.00 0.00 H new ATOM 0 HB3 LYS A 122 10.900 -4.903 -23.602 1.00 0.00 H new ATOM 0 HG2 LYS A 122 10.714 -2.083 -24.724 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.221 -2.883 -24.323 1.00 0.00 H new ATOM 0 HD2 LYS A 122 11.670 -4.712 -25.932 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.176 -3.894 -26.343 1.00 0.00 H new ATOM 0 HE2 LYS A 122 11.428 -1.941 -27.172 1.00 0.00 H new ATOM 0 HE3 LYS A 122 12.943 -2.664 -26.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 12.558 -2.980 -29.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.560 -4.481 -28.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 11.092 -3.780 -28.715 1.00 0.00 H new ATOM 1907 N LYS A 123 7.356 -4.699 -22.100 1.00 0.00 N ATOM 1908 CA LYS A 123 6.707 -5.669 -21.212 1.00 0.00 C ATOM 1909 C LYS A 123 5.623 -6.445 -21.947 1.00 0.00 C ATOM 1910 O LYS A 123 4.968 -7.313 -21.377 1.00 0.00 O ATOM 1911 CB LYS A 123 6.143 -5.009 -19.945 1.00 0.00 C ATOM 1912 CG LYS A 123 5.244 -3.811 -20.189 1.00 0.00 C ATOM 1913 CD LYS A 123 4.595 -3.350 -18.890 1.00 0.00 C ATOM 1914 CE LYS A 123 4.090 -1.922 -18.991 1.00 0.00 C ATOM 1915 NZ LYS A 123 5.209 -0.947 -18.990 1.00 0.00 N ATOM 0 H LYS A 123 6.987 -3.750 -22.042 1.00 0.00 H new ATOM 0 HA LYS A 123 7.477 -6.372 -20.894 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.582 -5.756 -19.384 1.00 0.00 H new ATOM 0 HB3 LYS A 123 6.976 -4.696 -19.315 1.00 0.00 H new ATOM 0 HG2 LYS A 123 5.825 -2.996 -20.620 1.00 0.00 H new ATOM 0 HG3 LYS A 123 4.473 -4.071 -20.914 1.00 0.00 H new ATOM 0 HD2 LYS A 123 3.766 -4.013 -18.642 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.316 -3.424 -18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.506 -1.806 -19.904 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.422 -1.711 -18.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 4.971 -0.145 -19.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 5.368 -0.602 -18.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.073 -1.409 -19.339 1.00 0.00 H new ATOM 1929 N LYS A 124 5.440 -6.124 -23.213 1.00 0.00 N ATOM 1930 CA LYS A 124 4.501 -6.830 -24.058 1.00 0.00 C ATOM 1931 C LYS A 124 5.264 -7.594 -25.123 1.00 0.00 C ATOM 1932 O LYS A 124 6.210 -7.063 -25.714 1.00 0.00 O ATOM 1933 CB LYS A 124 3.509 -5.863 -24.722 1.00 0.00 C ATOM 1934 CG LYS A 124 2.453 -5.290 -23.783 1.00 0.00 C ATOM 1935 CD LYS A 124 1.581 -6.390 -23.185 1.00 0.00 C ATOM 1936 CE LYS A 124 0.405 -5.813 -22.408 1.00 0.00 C ATOM 1937 NZ LYS A 124 -0.618 -5.212 -23.303 1.00 0.00 N ATOM 0 H LYS A 124 5.938 -5.368 -23.683 1.00 0.00 H new ATOM 0 HA LYS A 124 3.931 -7.521 -23.438 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.068 -5.039 -25.165 1.00 0.00 H new ATOM 0 HB3 LYS A 124 3.007 -6.383 -25.538 1.00 0.00 H new ATOM 0 HG2 LYS A 124 2.940 -4.734 -22.982 1.00 0.00 H new ATOM 0 HG3 LYS A 124 1.827 -4.583 -24.326 1.00 0.00 H new ATOM 0 HD2 LYS A 124 1.210 -7.035 -23.982 1.00 0.00 H new ATOM 0 HD3 LYS A 124 2.183 -7.014 -22.525 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -0.055 -6.600 -21.810 1.00 0.00 H new ATOM 0 HE3 LYS A 124 0.767 -5.056 -21.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -1.471 -4.986 -22.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -0.239 -4.342 -23.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -0.861 -5.887 -24.056 1.00 0.00 H new ATOM 1951 N LYS A 125 4.874 -8.834 -25.355 1.00 0.00 N ATOM 1952 CA LYS A 125 5.517 -9.656 -26.371 1.00 0.00 C ATOM 1953 C LYS A 125 5.101 -9.192 -27.754 1.00 0.00 C ATOM 1954 O LYS A 125 5.806 -9.415 -28.739 1.00 0.00 O ATOM 1955 CB LYS A 125 5.164 -11.129 -26.183 1.00 0.00 C ATOM 1956 CG LYS A 125 5.654 -11.713 -24.872 1.00 0.00 C ATOM 1957 CD LYS A 125 5.238 -13.166 -24.729 1.00 0.00 C ATOM 1958 CE LYS A 125 5.755 -13.762 -23.433 1.00 0.00 C ATOM 1959 NZ LYS A 125 5.362 -15.182 -23.289 1.00 0.00 N ATOM 0 H LYS A 125 4.115 -9.297 -24.855 1.00 0.00 H new ATOM 0 HA LYS A 125 6.597 -9.548 -26.267 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.081 -11.244 -26.239 1.00 0.00 H new ATOM 0 HB3 LYS A 125 5.588 -11.703 -27.007 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.740 -11.636 -24.820 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.253 -11.134 -24.040 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.151 -13.240 -24.758 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.619 -13.740 -25.573 1.00 0.00 H new ATOM 0 HE2 LYS A 125 6.841 -13.680 -23.403 1.00 0.00 H new ATOM 0 HE3 LYS A 125 5.368 -13.190 -22.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.733 -15.556 -22.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.325 -15.257 -23.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.752 -15.732 -24.081 1.00 0.00 H new ATOM 1973 N LYS A 126 3.948 -8.559 -27.820 1.00 0.00 N ATOM 1974 CA LYS A 126 3.452 -8.008 -29.049 1.00 0.00 C ATOM 1975 C LYS A 126 3.660 -6.509 -29.063 1.00 0.00 C ATOM 1976 O LYS A 126 3.388 -5.824 -28.069 1.00 0.00 O ATOM 1977 CB LYS A 126 1.968 -8.305 -29.221 1.00 0.00 C ATOM 1978 CG LYS A 126 1.625 -9.782 -29.288 1.00 0.00 C ATOM 1979 CD LYS A 126 0.120 -9.997 -29.371 1.00 0.00 C ATOM 1980 CE LYS A 126 -0.582 -9.551 -28.093 1.00 0.00 C ATOM 1981 NZ LYS A 126 -2.055 -9.689 -28.188 1.00 0.00 N ATOM 0 H LYS A 126 3.333 -8.416 -27.019 1.00 0.00 H new ATOM 0 HA LYS A 126 4.001 -8.468 -29.870 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.422 -7.855 -28.392 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.617 -7.822 -30.133 1.00 0.00 H new ATOM 0 HG2 LYS A 126 2.107 -10.230 -30.157 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.019 -10.289 -28.407 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.281 -9.443 -30.220 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.088 -11.052 -29.552 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.216 -10.143 -27.254 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.328 -8.512 -27.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.491 -9.375 -27.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.409 -9.104 -28.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.300 -10.685 -28.361 1.00 0.00 H new ATOM 1995 N GLU A 127 4.132 -6.004 -30.169 1.00 0.00 N ATOM 1996 CA GLU A 127 4.349 -4.587 -30.322 1.00 0.00 C ATOM 1997 C GLU A 127 4.012 -4.163 -31.740 1.00 0.00 C ATOM 1998 O GLU A 127 4.247 -4.904 -32.700 1.00 0.00 O ATOM 1999 CB GLU A 127 5.792 -4.207 -29.947 1.00 0.00 C ATOM 2000 CG GLU A 127 6.080 -2.707 -29.999 1.00 0.00 C ATOM 2001 CD GLU A 127 5.051 -1.885 -29.244 1.00 0.00 C ATOM 2002 OE1 GLU A 127 5.083 -1.869 -28.003 1.00 0.00 O ATOM 2003 OE2 GLU A 127 4.192 -1.253 -29.905 1.00 0.00 O ATOM 0 H GLU A 127 4.377 -6.559 -30.989 1.00 0.00 H new ATOM 0 HA GLU A 127 3.688 -4.053 -29.639 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.002 -4.571 -28.941 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.478 -4.721 -30.621 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.068 -2.517 -29.581 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.106 -2.382 -31.039 1.00 0.00 H new ATOM 2010 N GLY A 128 3.463 -2.984 -31.861 1.00 0.00 N ATOM 2011 CA GLY A 128 3.037 -2.485 -33.132 1.00 0.00 C ATOM 2012 C GLY A 128 1.844 -1.584 -32.978 1.00 0.00 C ATOM 2013 O GLY A 128 0.704 -2.035 -33.030 1.00 0.00 O ATOM 0 H GLY A 128 3.301 -2.347 -31.081 1.00 0.00 H new ATOM 0 HA2 GLY A 128 3.853 -1.938 -33.605 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.787 -3.318 -33.790 1.00 0.00 H new ATOM 2017 N LYS A 129 2.103 -0.316 -32.754 1.00 0.00 N ATOM 2018 CA LYS A 129 1.049 0.671 -32.581 1.00 0.00 C ATOM 2019 C LYS A 129 0.779 1.361 -33.914 1.00 0.00 C ATOM 2020 O LYS A 129 0.311 2.500 -33.959 1.00 0.00 O ATOM 2021 CB LYS A 129 1.474 1.713 -31.534 1.00 0.00 C ATOM 2022 CG LYS A 129 1.911 1.125 -30.192 1.00 0.00 C ATOM 2023 CD LYS A 129 0.771 0.407 -29.482 1.00 0.00 C ATOM 2024 CE LYS A 129 1.197 -0.080 -28.098 1.00 0.00 C ATOM 2025 NZ LYS A 129 2.229 -1.147 -28.164 1.00 0.00 N ATOM 0 H LYS A 129 3.047 0.065 -32.686 1.00 0.00 H new ATOM 0 HA LYS A 129 0.142 0.174 -32.238 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.294 2.304 -31.941 1.00 0.00 H new ATOM 0 HB3 LYS A 129 0.643 2.397 -31.363 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.733 0.428 -30.353 1.00 0.00 H new ATOM 0 HG3 LYS A 129 2.290 1.923 -29.553 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.082 1.079 -29.387 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.442 -0.441 -30.083 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.585 0.761 -27.524 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.324 -0.455 -27.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.725 -1.208 -27.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.773 -2.058 -28.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.913 -0.923 -28.915 1.00 0.00 H new ATOM 2039 N LYS A 130 1.072 0.656 -34.991 1.00 0.00 N ATOM 2040 CA LYS A 130 0.936 1.188 -36.309 1.00 0.00 C ATOM 2041 C LYS A 130 -0.506 1.117 -36.801 1.00 0.00 C ATOM 2042 O LYS A 130 -1.015 0.042 -37.124 1.00 0.00 O ATOM 2043 CB LYS A 130 1.870 0.458 -37.279 1.00 0.00 C ATOM 2044 CG LYS A 130 1.983 1.115 -38.648 1.00 0.00 C ATOM 2045 CD LYS A 130 2.553 2.519 -38.535 1.00 0.00 C ATOM 2046 CE LYS A 130 2.801 3.136 -39.899 1.00 0.00 C ATOM 2047 NZ LYS A 130 3.405 4.485 -39.790 1.00 0.00 N ATOM 0 H LYS A 130 1.412 -0.305 -34.962 1.00 0.00 H new ATOM 0 HA LYS A 130 1.218 2.240 -36.271 1.00 0.00 H new ATOM 0 HB2 LYS A 130 2.863 0.398 -36.834 1.00 0.00 H new ATOM 0 HB3 LYS A 130 1.516 -0.565 -37.407 1.00 0.00 H new ATOM 0 HG2 LYS A 130 2.621 0.511 -39.293 1.00 0.00 H new ATOM 0 HG3 LYS A 130 1.000 1.155 -39.118 1.00 0.00 H new ATOM 0 HD2 LYS A 130 1.863 3.147 -37.971 1.00 0.00 H new ATOM 0 HD3 LYS A 130 3.487 2.488 -37.974 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.460 2.488 -40.477 1.00 0.00 H new ATOM 0 HE3 LYS A 130 1.860 3.202 -40.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 3.560 4.874 -40.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 2.765 5.110 -39.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 4.315 4.419 -39.291 1.00 0.00 H new ATOM 2061 N GLN A 131 -1.157 2.257 -36.834 1.00 0.00 N ATOM 2062 CA GLN A 131 -2.501 2.357 -37.354 1.00 0.00 C ATOM 2063 C GLN A 131 -2.551 3.493 -38.360 1.00 0.00 C ATOM 2064 O GLN A 131 -2.679 4.662 -37.993 1.00 0.00 O ATOM 2065 CB GLN A 131 -3.514 2.586 -36.228 1.00 0.00 C ATOM 2066 CG GLN A 131 -4.961 2.499 -36.686 1.00 0.00 C ATOM 2067 CD GLN A 131 -5.951 2.675 -35.552 1.00 0.00 C ATOM 2068 OE1 GLN A 131 -5.665 2.348 -34.399 1.00 0.00 O ATOM 2069 NE2 GLN A 131 -7.118 3.190 -35.869 1.00 0.00 N ATOM 0 H GLN A 131 -0.770 3.140 -36.501 1.00 0.00 H new ATOM 0 HA GLN A 131 -2.768 1.420 -37.843 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -3.345 1.849 -35.443 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -3.339 3.567 -35.787 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -5.144 3.262 -37.443 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -5.129 1.532 -37.161 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.316 3.448 -36.836 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.826 3.332 -35.148 1.00 0.00 H new ATOM 2078 N GLU A 132 -2.411 3.149 -39.622 1.00 0.00 N ATOM 2079 CA GLU A 132 -2.357 4.139 -40.680 1.00 0.00 C ATOM 2080 C GLU A 132 -3.637 4.147 -41.508 1.00 0.00 C ATOM 2081 O GLU A 132 -4.572 3.386 -41.238 1.00 0.00 O ATOM 2082 CB GLU A 132 -1.145 3.869 -41.571 1.00 0.00 C ATOM 2083 CG GLU A 132 -1.135 2.477 -42.179 1.00 0.00 C ATOM 2084 CD GLU A 132 0.175 2.143 -42.843 1.00 0.00 C ATOM 2085 OE1 GLU A 132 1.067 1.600 -42.165 1.00 0.00 O ATOM 2086 OE2 GLU A 132 0.324 2.414 -44.050 1.00 0.00 O ATOM 0 H GLU A 132 -2.332 2.184 -39.944 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.260 5.124 -40.223 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -1.123 4.607 -42.373 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -0.236 4.007 -40.985 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.340 1.743 -41.400 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -1.939 2.399 -42.911 1.00 0.00 H new ATOM 2093 N LYS A 133 -3.669 5.019 -42.502 1.00 0.00 N ATOM 2094 CA LYS A 133 -4.805 5.155 -43.383 1.00 0.00 C ATOM 2095 C LYS A 133 -4.961 3.934 -44.282 1.00 0.00 C ATOM 2096 O LYS A 133 -3.987 3.454 -44.871 1.00 0.00 O ATOM 2097 CB LYS A 133 -4.647 6.412 -44.248 1.00 0.00 C ATOM 2098 CG LYS A 133 -5.740 6.585 -45.293 1.00 0.00 C ATOM 2099 CD LYS A 133 -7.070 6.967 -44.664 1.00 0.00 C ATOM 2100 CE LYS A 133 -8.179 7.020 -45.704 1.00 0.00 C ATOM 2101 NZ LYS A 133 -7.832 7.903 -46.848 1.00 0.00 N ATOM 0 H LYS A 133 -2.900 5.654 -42.717 1.00 0.00 H new ATOM 0 HA LYS A 133 -5.699 5.241 -42.766 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -4.637 7.288 -43.599 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -3.680 6.376 -44.750 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -5.442 7.353 -46.006 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -5.857 5.657 -45.853 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -7.329 6.245 -43.890 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -6.979 7.938 -44.177 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.379 6.013 -46.071 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -9.097 7.377 -45.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.667 8.459 -47.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -7.064 8.547 -46.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -7.522 7.322 -47.653 1.00 0.00 H new ATOM 2115 N MET A 134 -6.181 3.441 -44.388 1.00 0.00 N ATOM 2116 CA MET A 134 -6.479 2.317 -45.257 1.00 0.00 C ATOM 2117 C MET A 134 -6.937 2.830 -46.613 1.00 0.00 C ATOM 2118 O MET A 134 -8.082 3.269 -46.759 1.00 0.00 O ATOM 2119 CB MET A 134 -7.559 1.426 -44.639 1.00 0.00 C ATOM 2120 CG MET A 134 -7.183 0.846 -43.286 1.00 0.00 C ATOM 2121 SD MET A 134 -5.676 -0.150 -43.342 1.00 0.00 S ATOM 2122 CE MET A 134 -6.154 -1.427 -44.505 1.00 0.00 C ATOM 0 H MET A 134 -6.987 3.804 -43.879 1.00 0.00 H new ATOM 0 HA MET A 134 -5.575 1.720 -45.382 1.00 0.00 H new ATOM 0 HB2 MET A 134 -8.476 2.005 -44.532 1.00 0.00 H new ATOM 0 HB3 MET A 134 -7.777 0.608 -45.325 1.00 0.00 H new ATOM 0 HG2 MET A 134 -7.049 1.659 -42.572 1.00 0.00 H new ATOM 0 HG3 MET A 134 -8.005 0.232 -42.919 1.00 0.00 H new ATOM 0 HE1 MET A 134 -5.468 -2.270 -44.422 1.00 0.00 H new ATOM 0 HE2 MET A 134 -7.168 -1.760 -44.283 1.00 0.00 H new ATOM 0 HE3 MET A 134 -6.117 -1.028 -45.519 1.00 0.00 H new ATOM 2132 N LEU A 135 -6.030 2.777 -47.592 1.00 0.00 N ATOM 2133 CA LEU A 135 -6.271 3.273 -48.951 1.00 0.00 C ATOM 2134 C LEU A 135 -6.348 4.800 -48.990 1.00 0.00 C ATOM 2135 O LEU A 135 -6.987 5.434 -48.150 1.00 0.00 O ATOM 2136 CB LEU A 135 -7.524 2.648 -49.580 1.00 0.00 C ATOM 2137 CG LEU A 135 -7.380 1.212 -50.111 1.00 0.00 C ATOM 2138 CD1 LEU A 135 -7.310 0.205 -48.974 1.00 0.00 C ATOM 2139 CD2 LEU A 135 -8.522 0.878 -51.058 1.00 0.00 C ATOM 0 H LEU A 135 -5.097 2.384 -47.463 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.414 2.964 -49.550 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.321 2.659 -48.836 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.847 3.286 -50.403 1.00 0.00 H new ATOM 0 HG LEU A 135 -6.442 1.151 -50.663 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -7.208 -0.800 -49.384 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -6.450 0.428 -48.343 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -8.221 0.264 -48.379 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.404 -0.142 -51.424 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -9.471 0.966 -50.529 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -8.510 1.570 -51.900 1.00 0.00 H new ATOM 2151 N ASP A 136 -5.690 5.383 -49.964 1.00 0.00 N ATOM 2152 CA ASP A 136 -5.660 6.825 -50.114 1.00 0.00 C ATOM 2153 C ASP A 136 -6.053 7.212 -51.523 1.00 0.00 C ATOM 2154 O ASP A 136 -6.805 8.193 -51.686 1.00 0.00 O ATOM 2155 CB ASP A 136 -4.272 7.387 -49.764 1.00 0.00 C ATOM 2156 CG ASP A 136 -3.187 6.941 -50.723 1.00 0.00 C ATOM 2157 OD1 ASP A 136 -2.935 7.648 -51.722 1.00 0.00 O ATOM 2158 OD2 ASP A 136 -2.580 5.872 -50.483 1.00 0.00 O ATOM 2159 OXT ASP A 136 -5.641 6.512 -52.472 1.00 0.00 O ATOM 0 H ASP A 136 -5.161 4.877 -50.674 1.00 0.00 H new ATOM 0 HA ASP A 136 -6.380 7.257 -49.419 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -4.319 8.476 -49.760 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -4.005 7.076 -48.754 1.00 0.00 H new TER 2164 ASP A 136