USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 63 THR OG1 : rot 23:sc= 0.433 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -134:sc= 0.501 (180deg=0) USER MOD Set 2.1: A 80 CYS SG : rot -32:sc= -2.78 USER MOD Set 2.2: A 95 CYS SG : rot -29:sc= 0.0193 USER MOD Set 3.1: A 54 MET CE :methyl -164:sc= -2.16! (180deg=-2.77!) USER MOD Set 3.2: A 58 CYS SG : rot 14:sc= -4.15! USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00756) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.043) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= -0.623 (180deg=-0.771) USER MOD Single : A 27 ASN : amide:sc= -1.06 K(o=-1.1,f=-5.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.565 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.98 F(o=-2.9,f=-2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-5.6!) USER MOD Single : A 60 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 65 HIS : no HD1:sc= -2.33 X(o=-2.3,f=-2.5!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.22) USER MOD Single : A 86 CYS SG : rot -113:sc= 0.548 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 102 CYS SG : rot 138:sc= 0.159 USER MOD Single : A 108 THR OG1 : rot 74:sc= 0.0942 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 74:sc= -0.47 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.468 -2.161 -7.838 1.00 0.00 N ATOM 67 CA PHE A 8 -11.471 -1.464 -7.033 1.00 0.00 C ATOM 68 C PHE A 8 -11.014 -0.183 -7.724 1.00 0.00 C ATOM 69 O PHE A 8 -10.785 -0.164 -8.933 1.00 0.00 O ATOM 70 CB PHE A 8 -10.268 -2.373 -6.773 1.00 0.00 C ATOM 71 CG PHE A 8 -10.640 -3.709 -6.195 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.451 -3.792 -5.075 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.180 -4.881 -6.772 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.795 -5.020 -4.541 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.520 -6.112 -6.243 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.329 -6.181 -5.126 1.00 0.00 C ATOM 0 HA PHE A 8 -11.930 -1.199 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.731 -2.528 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.583 -1.869 -6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.819 -2.887 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.548 -4.833 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.428 -5.071 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.154 -7.018 -6.702 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.597 -7.141 -4.711 1.00 0.00 H new ATOM 86 N VAL A 9 -10.885 0.888 -6.947 1.00 0.00 N ATOM 87 CA VAL A 9 -10.455 2.174 -7.482 1.00 0.00 C ATOM 88 C VAL A 9 -9.158 2.035 -8.271 1.00 0.00 C ATOM 89 O VAL A 9 -9.102 2.358 -9.458 1.00 0.00 O ATOM 90 CB VAL A 9 -10.252 3.209 -6.360 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.009 4.592 -6.946 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.450 3.221 -5.423 1.00 0.00 C ATOM 0 H VAL A 9 -11.072 0.890 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.246 2.521 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.372 2.925 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.868 5.310 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.117 4.570 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.868 4.888 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.289 3.958 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.348 3.479 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.572 2.234 -4.976 1.00 0.00 H new ATOM 102 N LYS A 10 -8.115 1.551 -7.605 1.00 0.00 N ATOM 103 CA LYS A 10 -6.817 1.367 -8.243 1.00 0.00 C ATOM 104 C LYS A 10 -6.170 0.061 -7.793 1.00 0.00 C ATOM 105 O LYS A 10 -6.117 -0.238 -6.600 1.00 0.00 O ATOM 106 CB LYS A 10 -5.894 2.544 -7.918 1.00 0.00 C ATOM 107 CG LYS A 10 -4.564 2.494 -8.650 1.00 0.00 C ATOM 108 CD LYS A 10 -3.639 3.612 -8.202 1.00 0.00 C ATOM 109 CE LYS A 10 -2.178 3.251 -8.424 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.864 3.077 -9.869 1.00 0.00 N ATOM 0 H LYS A 10 -8.144 1.279 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.973 1.323 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.403 3.474 -8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.708 2.563 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.085 1.531 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.735 2.571 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.877 4.524 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.806 3.822 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.543 4.032 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.946 2.331 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.846 2.899 -9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.402 2.271 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.125 3.940 -10.387 1.00 0.00 H new ATOM 124 N SER A 11 -5.678 -0.713 -8.755 1.00 0.00 N ATOM 125 CA SER A 11 -5.036 -1.988 -8.457 1.00 0.00 C ATOM 126 C SER A 11 -3.648 -2.058 -9.086 1.00 0.00 C ATOM 127 O SER A 11 -3.470 -1.739 -10.261 1.00 0.00 O ATOM 128 CB SER A 11 -5.897 -3.147 -8.964 1.00 0.00 C ATOM 129 OG SER A 11 -6.058 -3.086 -10.370 1.00 0.00 O ATOM 0 H SER A 11 -5.712 -0.480 -9.747 1.00 0.00 H new ATOM 0 HA SER A 11 -4.930 -2.069 -7.375 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.435 -4.095 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.874 -3.117 -8.481 1.00 0.00 H new ATOM 0 HG SER A 11 -6.610 -3.838 -10.669 1.00 0.00 H new ATOM 135 N GLY A 12 -2.667 -2.478 -8.294 1.00 0.00 N ATOM 136 CA GLY A 12 -1.307 -2.582 -8.790 1.00 0.00 C ATOM 137 C GLY A 12 -0.408 -3.369 -7.856 1.00 0.00 C ATOM 138 O GLY A 12 -0.764 -3.617 -6.704 1.00 0.00 O ATOM 0 H GLY A 12 -2.789 -2.748 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.316 -3.060 -9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.896 -1.582 -8.928 1.00 0.00 H new ATOM 142 N TRP A 13 0.758 -3.765 -8.354 1.00 0.00 N ATOM 143 CA TRP A 13 1.709 -4.531 -7.557 1.00 0.00 C ATOM 144 C TRP A 13 2.544 -3.610 -6.674 1.00 0.00 C ATOM 145 O TRP A 13 2.962 -2.534 -7.103 1.00 0.00 O ATOM 146 CB TRP A 13 2.623 -5.353 -8.466 1.00 0.00 C ATOM 147 CG TRP A 13 1.948 -6.552 -9.060 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.348 -6.632 -10.284 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.802 -7.841 -8.455 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.838 -7.893 -10.477 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.104 -8.654 -9.369 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.196 -8.389 -7.231 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.791 -9.983 -9.095 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.884 -9.707 -6.960 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.188 -10.493 -7.889 1.00 0.00 C ATOM 0 H TRP A 13 1.067 -3.568 -9.306 1.00 0.00 H new ATOM 0 HA TRP A 13 1.145 -5.207 -6.915 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.991 -4.716 -9.271 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.492 -5.680 -7.895 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.284 -5.823 -10.996 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.342 -8.211 -11.310 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.735 -7.792 -6.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.254 -10.590 -9.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.181 -10.139 -6.016 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.961 -11.521 -7.648 1.00 0.00 H new ATOM 166 N LEU A 14 2.784 -4.039 -5.440 1.00 0.00 N ATOM 167 CA LEU A 14 3.571 -3.252 -4.496 1.00 0.00 C ATOM 168 C LEU A 14 4.229 -4.151 -3.454 1.00 0.00 C ATOM 169 O LEU A 14 3.698 -5.206 -3.103 1.00 0.00 O ATOM 170 CB LEU A 14 2.685 -2.214 -3.805 1.00 0.00 C ATOM 171 CG LEU A 14 1.791 -1.378 -4.721 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.734 -0.645 -3.910 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.625 -0.394 -5.528 1.00 0.00 C ATOM 0 H LEU A 14 2.445 -4.927 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 14 4.355 -2.739 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.051 -2.729 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.326 -1.537 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 14 1.286 -2.049 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.107 -0.055 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.117 -1.369 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.220 0.015 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.972 0.192 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.158 0.273 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.343 -0.941 -6.139 1.00 0.00 H new ATOM 185 N LEU A 15 5.386 -3.726 -2.960 1.00 0.00 N ATOM 186 CA LEU A 15 6.117 -4.491 -1.955 1.00 0.00 C ATOM 187 C LEU A 15 5.709 -4.068 -0.547 1.00 0.00 C ATOM 188 O LEU A 15 5.469 -2.889 -0.287 1.00 0.00 O ATOM 189 CB LEU A 15 7.624 -4.305 -2.140 1.00 0.00 C ATOM 190 CG LEU A 15 8.160 -4.532 -3.554 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.394 -3.678 -3.800 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.475 -6.004 -3.774 1.00 0.00 C ATOM 0 H LEU A 15 5.839 -2.856 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 15 5.869 -5.545 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.885 -3.293 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.140 -4.987 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 15 7.390 -4.235 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.762 -3.853 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.137 -2.625 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.169 -3.943 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.855 -6.147 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.227 -6.327 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.568 -6.594 -3.640 1.00 0.00 H new ATOM 204 N ARG A 16 5.636 -5.039 0.358 1.00 0.00 N ATOM 205 CA ARG A 16 5.259 -4.767 1.740 1.00 0.00 C ATOM 206 C ARG A 16 6.296 -5.331 2.707 1.00 0.00 C ATOM 207 O ARG A 16 6.742 -6.469 2.559 1.00 0.00 O ATOM 208 CB ARG A 16 3.884 -5.366 2.043 1.00 0.00 C ATOM 209 CG ARG A 16 3.428 -5.149 3.477 1.00 0.00 C ATOM 210 CD ARG A 16 1.936 -5.401 3.631 1.00 0.00 C ATOM 211 NE ARG A 16 1.503 -5.287 5.021 1.00 0.00 N ATOM 212 CZ ARG A 16 1.713 -6.227 5.935 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.347 -7.345 5.609 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.288 -6.051 7.180 1.00 0.00 N ATOM 0 H ARG A 16 5.833 -6.020 0.159 1.00 0.00 H new ATOM 0 HA ARG A 16 5.214 -3.686 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.149 -4.929 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.910 -6.436 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.981 -5.814 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.659 -4.129 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.383 -4.688 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.696 -6.396 3.257 1.00 0.00 H new ATOM 0 HE ARG A 16 1.013 -4.439 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.675 -7.485 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.507 -8.065 6.314 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.799 -5.193 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.450 -6.774 7.881 1.00 0.00 H new ATOM 228 N GLN A 17 6.674 -4.528 3.696 1.00 0.00 N ATOM 229 CA GLN A 17 7.659 -4.947 4.686 1.00 0.00 C ATOM 230 C GLN A 17 6.979 -5.577 5.898 1.00 0.00 C ATOM 231 O GLN A 17 6.439 -4.875 6.752 1.00 0.00 O ATOM 232 CB GLN A 17 8.510 -3.755 5.126 1.00 0.00 C ATOM 233 CG GLN A 17 9.900 -4.143 5.606 1.00 0.00 C ATOM 234 CD GLN A 17 10.691 -2.958 6.123 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.363 -2.384 7.162 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.740 -2.585 5.400 1.00 0.00 N ATOM 0 H GLN A 17 6.313 -3.584 3.833 1.00 0.00 H new ATOM 0 HA GLN A 17 8.305 -5.695 4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.604 -3.059 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.993 -3.226 5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.812 -4.889 6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.446 -4.610 4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.976 -3.089 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.310 -1.794 5.699 1.00 0.00 H new ATOM 245 N SER A 18 7.010 -6.904 5.964 1.00 0.00 N ATOM 246 CA SER A 18 6.393 -7.628 7.069 1.00 0.00 C ATOM 247 C SER A 18 7.301 -7.626 8.295 1.00 0.00 C ATOM 248 O SER A 18 8.436 -7.151 8.241 1.00 0.00 O ATOM 249 CB SER A 18 6.083 -9.068 6.653 1.00 0.00 C ATOM 250 OG SER A 18 4.969 -9.576 7.367 1.00 0.00 O ATOM 0 H SER A 18 7.456 -7.499 5.266 1.00 0.00 H new ATOM 0 HA SER A 18 5.462 -7.123 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.881 -9.105 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.954 -9.698 6.835 1.00 0.00 H new ATOM 0 HG SER A 18 4.790 -10.496 7.082 1.00 0.00 H new ATOM 256 N THR A 19 6.793 -8.160 9.401 1.00 0.00 N ATOM 257 CA THR A 19 7.556 -8.220 10.641 1.00 0.00 C ATOM 258 C THR A 19 8.342 -9.522 10.742 1.00 0.00 C ATOM 259 O THR A 19 9.524 -9.519 11.090 1.00 0.00 O ATOM 260 CB THR A 19 6.639 -8.091 11.872 1.00 0.00 C ATOM 261 OG1 THR A 19 5.949 -6.836 11.840 1.00 0.00 O ATOM 262 CG2 THR A 19 7.442 -8.201 13.159 1.00 0.00 C ATOM 0 H THR A 19 5.856 -8.557 9.463 1.00 0.00 H new ATOM 0 HA THR A 19 8.251 -7.380 10.624 1.00 0.00 H new ATOM 0 HB THR A 19 5.914 -8.905 11.844 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.367 -6.763 12.625 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.773 -8.107 14.014 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.942 -9.169 13.194 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.187 -7.406 13.192 1.00 0.00 H new ATOM 270 N ILE A 20 7.681 -10.632 10.435 1.00 0.00 N ATOM 271 CA ILE A 20 8.319 -11.941 10.489 1.00 0.00 C ATOM 272 C ILE A 20 9.443 -12.048 9.464 1.00 0.00 C ATOM 273 O ILE A 20 10.594 -12.310 9.813 1.00 0.00 O ATOM 274 CB ILE A 20 7.304 -13.073 10.241 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.108 -12.930 11.183 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.969 -14.430 10.423 1.00 0.00 C ATOM 277 CD1 ILE A 20 6.492 -12.882 12.645 1.00 0.00 C ATOM 0 H ILE A 20 6.703 -10.651 10.146 1.00 0.00 H new ATOM 0 HA ILE A 20 8.733 -12.048 11.491 1.00 0.00 H new ATOM 0 HB ILE A 20 6.945 -13.001 9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.563 -12.021 10.929 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.427 -13.766 11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.239 -15.220 10.244 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.792 -14.530 9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.353 -14.514 11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.594 -12.780 13.254 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.011 -13.802 12.915 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.148 -12.030 12.821 1.00 0.00 H new ATOM 289 N LEU A 21 9.102 -11.841 8.196 1.00 0.00 N ATOM 290 CA LEU A 21 10.082 -11.912 7.119 1.00 0.00 C ATOM 291 C LEU A 21 11.048 -10.733 7.183 1.00 0.00 C ATOM 292 O LEU A 21 12.244 -10.881 6.932 1.00 0.00 O ATOM 293 CB LEU A 21 9.377 -11.934 5.762 1.00 0.00 C ATOM 294 CG LEU A 21 8.848 -13.293 5.302 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.503 -13.588 5.947 1.00 0.00 C ATOM 296 CD2 LEU A 21 8.735 -13.336 3.785 1.00 0.00 C ATOM 0 H LEU A 21 8.154 -11.623 7.889 1.00 0.00 H new ATOM 0 HA LEU A 21 10.652 -12.833 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.542 -11.235 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.071 -11.563 5.008 1.00 0.00 H new ATOM 0 HG LEU A 21 9.555 -14.061 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.142 -14.559 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.614 -13.601 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.787 -12.816 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.357 -14.310 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.050 -12.558 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.717 -13.171 3.342 1.00 0.00 H new ATOM 308 N LYS A 22 10.522 -9.561 7.524 1.00 0.00 N ATOM 309 CA LYS A 22 11.336 -8.356 7.626 1.00 0.00 C ATOM 310 C LYS A 22 12.008 -8.039 6.293 1.00 0.00 C ATOM 311 O LYS A 22 13.175 -7.650 6.253 1.00 0.00 O ATOM 312 CB LYS A 22 12.397 -8.524 8.716 1.00 0.00 C ATOM 313 CG LYS A 22 11.965 -7.993 10.072 1.00 0.00 C ATOM 314 CD LYS A 22 12.532 -8.831 11.206 1.00 0.00 C ATOM 315 CE LYS A 22 13.873 -8.292 11.680 1.00 0.00 C ATOM 316 NZ LYS A 22 13.711 -7.248 12.730 1.00 0.00 N ATOM 0 H LYS A 22 9.534 -9.421 7.735 1.00 0.00 H new ATOM 0 HA LYS A 22 10.681 -7.526 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.644 -9.581 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.308 -8.010 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.296 -6.960 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.877 -7.987 10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.828 -8.843 12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.650 -9.862 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.476 -9.111 12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.416 -7.874 10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.647 -6.906 13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.157 -6.455 12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.215 -7.654 13.549 1.00 0.00 H new ATOM 330 N ARG A 23 11.262 -8.207 5.206 1.00 0.00 N ATOM 331 CA ARG A 23 11.786 -7.938 3.872 1.00 0.00 C ATOM 332 C ARG A 23 10.679 -7.450 2.941 1.00 0.00 C ATOM 333 O ARG A 23 9.494 -7.593 3.242 1.00 0.00 O ATOM 334 CB ARG A 23 12.436 -9.196 3.293 1.00 0.00 C ATOM 335 CG ARG A 23 11.456 -10.117 2.585 1.00 0.00 C ATOM 336 CD ARG A 23 12.082 -11.469 2.281 1.00 0.00 C ATOM 337 NE ARG A 23 12.786 -11.470 1.001 1.00 0.00 N ATOM 338 CZ ARG A 23 12.181 -11.312 -0.171 1.00 0.00 C ATOM 339 NH1 ARG A 23 10.867 -11.140 -0.225 1.00 0.00 N ATOM 340 NH2 ARG A 23 12.890 -11.325 -1.292 1.00 0.00 N ATOM 0 H ARG A 23 10.294 -8.528 5.223 1.00 0.00 H new ATOM 0 HA ARG A 23 12.539 -7.154 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.216 -8.901 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.922 -9.747 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.572 -10.256 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.123 -9.652 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.777 -11.734 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.305 -12.234 2.268 1.00 0.00 H new ATOM 0 HE ARG A 23 13.798 -11.599 1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.318 -11.129 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.405 -11.019 -1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.901 -11.456 -1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.424 -11.204 -2.191 1.00 0.00 H new ATOM 354 N TRP A 24 11.075 -6.873 1.813 1.00 0.00 N ATOM 355 CA TRP A 24 10.116 -6.363 0.839 1.00 0.00 C ATOM 356 C TRP A 24 9.563 -7.492 -0.023 1.00 0.00 C ATOM 357 O TRP A 24 10.228 -7.969 -0.943 1.00 0.00 O ATOM 358 CB TRP A 24 10.773 -5.303 -0.047 1.00 0.00 C ATOM 359 CG TRP A 24 11.146 -4.056 0.695 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.382 -3.725 1.172 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.275 -2.975 1.047 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.333 -2.503 1.799 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.052 -2.022 1.736 1.00 0.00 C ATOM 364 CE3 TRP A 24 8.917 -2.719 0.846 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.512 -0.835 2.224 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.382 -1.540 1.332 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.178 -0.610 2.013 1.00 0.00 C ATOM 0 H TRP A 24 12.052 -6.746 1.550 1.00 0.00 H new ATOM 0 HA TRP A 24 9.289 -5.909 1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.667 -5.726 -0.505 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.092 -5.045 -0.858 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.268 -4.334 1.071 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.122 -2.031 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.296 -3.429 0.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.124 -0.117 2.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.332 -1.333 1.184 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.731 0.302 2.379 1.00 0.00 H new ATOM 378 N LYS A 25 8.340 -7.917 0.279 1.00 0.00 N ATOM 379 CA LYS A 25 7.696 -8.990 -0.469 1.00 0.00 C ATOM 380 C LYS A 25 6.629 -8.434 -1.407 1.00 0.00 C ATOM 381 O LYS A 25 5.826 -7.586 -1.018 1.00 0.00 O ATOM 382 CB LYS A 25 7.069 -10.003 0.491 1.00 0.00 C ATOM 383 CG LYS A 25 5.660 -9.638 0.925 1.00 0.00 C ATOM 384 CD LYS A 25 5.193 -10.500 2.086 1.00 0.00 C ATOM 385 CE LYS A 25 4.828 -11.904 1.627 1.00 0.00 C ATOM 386 NZ LYS A 25 5.035 -12.911 2.705 1.00 0.00 N ATOM 0 H LYS A 25 7.775 -7.534 1.037 1.00 0.00 H new ATOM 0 HA LYS A 25 8.457 -9.490 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.050 -10.982 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.701 -10.093 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.628 -8.588 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.977 -9.758 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.979 -10.555 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.329 -10.035 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.786 -11.922 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.432 -12.171 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.533 -13.789 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.051 -13.109 2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.665 -12.539 3.603 1.00 0.00 H new ATOM 400 N LYS A 26 6.625 -8.919 -2.644 1.00 0.00 N ATOM 401 CA LYS A 26 5.656 -8.474 -3.637 1.00 0.00 C ATOM 402 C LYS A 26 4.250 -8.940 -3.273 1.00 0.00 C ATOM 403 O LYS A 26 4.040 -10.106 -2.941 1.00 0.00 O ATOM 404 CB LYS A 26 6.036 -9.000 -5.023 1.00 0.00 C ATOM 405 CG LYS A 26 5.596 -8.094 -6.160 1.00 0.00 C ATOM 406 CD LYS A 26 6.655 -7.055 -6.487 1.00 0.00 C ATOM 407 CE LYS A 26 6.109 -5.973 -7.406 1.00 0.00 C ATOM 408 NZ LYS A 26 5.502 -4.849 -6.641 1.00 0.00 N ATOM 0 H LYS A 26 7.283 -9.621 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 26 5.666 -7.384 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.117 -9.128 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.592 -9.986 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.389 -8.695 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.666 -7.594 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.018 -6.601 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.508 -7.540 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.913 -5.591 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.361 -6.405 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.009 -4.210 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.824 -5.226 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.249 -4.325 -6.143 1.00 0.00 H new ATOM 422 N ASN A 27 3.291 -8.023 -3.340 1.00 0.00 N ATOM 423 CA ASN A 27 1.905 -8.341 -3.017 1.00 0.00 C ATOM 424 C ASN A 27 0.948 -7.632 -3.971 1.00 0.00 C ATOM 425 O ASN A 27 1.366 -6.815 -4.792 1.00 0.00 O ATOM 426 CB ASN A 27 1.591 -7.945 -1.573 1.00 0.00 C ATOM 427 CG ASN A 27 2.513 -8.618 -0.575 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.309 -7.959 0.094 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.409 -9.938 -0.471 1.00 0.00 N ATOM 0 H ASN A 27 3.448 -7.053 -3.615 1.00 0.00 H new ATOM 0 HA ASN A 27 1.770 -9.417 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.676 -6.863 -1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.558 -8.207 -1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.003 -10.446 0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.735 -10.443 -1.046 1.00 0.00 H new ATOM 436 N TRP A 28 -0.337 -7.949 -3.855 1.00 0.00 N ATOM 437 CA TRP A 28 -1.353 -7.342 -4.707 1.00 0.00 C ATOM 438 C TRP A 28 -2.312 -6.487 -3.885 1.00 0.00 C ATOM 439 O TRP A 28 -3.076 -7.003 -3.070 1.00 0.00 O ATOM 440 CB TRP A 28 -2.131 -8.424 -5.458 1.00 0.00 C ATOM 441 CG TRP A 28 -3.089 -7.872 -6.470 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.443 -8.049 -6.499 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.765 -7.056 -7.601 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.980 -7.391 -7.580 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.971 -6.774 -8.271 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.573 -6.534 -8.111 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.017 -5.995 -9.424 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.620 -5.761 -9.256 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.835 -5.497 -9.902 1.00 0.00 C ATOM 0 H TRP A 28 -0.699 -8.622 -3.180 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.850 -6.699 -5.429 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.426 -9.087 -5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.682 -9.030 -4.739 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.009 -8.622 -5.779 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.969 -7.366 -7.827 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.632 -6.731 -7.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.952 -5.791 -9.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.705 -5.354 -9.659 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.839 -4.889 -10.794 1.00 0.00 H new ATOM 460 N PHE A 29 -2.266 -5.177 -4.104 1.00 0.00 N ATOM 461 CA PHE A 29 -3.130 -4.251 -3.383 1.00 0.00 C ATOM 462 C PHE A 29 -4.351 -3.882 -4.221 1.00 0.00 C ATOM 463 O PHE A 29 -4.293 -3.868 -5.450 1.00 0.00 O ATOM 464 CB PHE A 29 -2.356 -2.986 -3.006 1.00 0.00 C ATOM 465 CG PHE A 29 -1.348 -3.204 -1.914 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.062 -3.626 -2.213 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.686 -2.987 -0.587 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.868 -3.828 -1.211 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.760 -3.187 0.419 1.00 0.00 C ATOM 470 CZ PHE A 29 0.518 -3.608 0.107 1.00 0.00 C ATOM 0 H PHE A 29 -1.639 -4.733 -4.775 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.471 -4.745 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.845 -2.605 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.062 -2.218 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.217 -3.799 -3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.684 -2.658 -0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.867 -4.157 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.035 -3.014 1.449 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.243 -3.765 0.892 1.00 0.00 H new ATOM 480 N ASP A 30 -5.456 -3.584 -3.545 1.00 0.00 N ATOM 481 CA ASP A 30 -6.692 -3.214 -4.226 1.00 0.00 C ATOM 482 C ASP A 30 -7.564 -2.340 -3.331 1.00 0.00 C ATOM 483 O ASP A 30 -8.085 -2.799 -2.314 1.00 0.00 O ATOM 484 CB ASP A 30 -7.463 -4.467 -4.645 1.00 0.00 C ATOM 485 CG ASP A 30 -6.671 -5.343 -5.596 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.236 -4.833 -6.649 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.488 -6.540 -5.287 1.00 0.00 O ATOM 0 H ASP A 30 -5.521 -3.591 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.431 -2.643 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.724 -5.043 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.398 -4.172 -5.121 1.00 0.00 H new ATOM 492 N LEU A 31 -7.719 -1.078 -3.715 1.00 0.00 N ATOM 493 CA LEU A 31 -8.528 -0.138 -2.947 1.00 0.00 C ATOM 494 C LEU A 31 -10.000 -0.244 -3.333 1.00 0.00 C ATOM 495 O LEU A 31 -10.331 -0.469 -4.497 1.00 0.00 O ATOM 496 CB LEU A 31 -8.032 1.292 -3.169 1.00 0.00 C ATOM 497 CG LEU A 31 -8.539 2.340 -2.177 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.759 2.262 -0.874 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.439 3.735 -2.777 1.00 0.00 C ATOM 0 H LEU A 31 -7.295 -0.682 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.430 -0.390 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.943 1.287 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.319 1.603 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.587 2.132 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.133 3.015 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.881 1.272 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.702 2.444 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.804 4.468 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.399 3.953 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.042 3.785 -3.684 1.00 0.00 H new ATOM 511 N TRP A 32 -10.877 -0.078 -2.350 1.00 0.00 N ATOM 512 CA TRP A 32 -12.314 -0.153 -2.588 1.00 0.00 C ATOM 513 C TRP A 32 -12.913 1.240 -2.748 1.00 0.00 C ATOM 514 O TRP A 32 -12.267 2.242 -2.442 1.00 0.00 O ATOM 515 CB TRP A 32 -13.004 -0.889 -1.438 1.00 0.00 C ATOM 516 CG TRP A 32 -12.671 -2.349 -1.383 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.430 -2.911 -1.485 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.592 -3.432 -1.214 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.524 -4.278 -1.390 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.839 -4.623 -1.222 1.00 0.00 C ATOM 521 CE3 TRP A 32 -14.977 -3.512 -1.054 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.429 -5.877 -1.078 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.561 -4.757 -0.911 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.787 -5.925 -0.923 1.00 0.00 C ATOM 0 H TRP A 32 -10.619 0.109 -1.381 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.476 -0.706 -3.513 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.719 -0.423 -0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.083 -0.773 -1.538 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.510 -2.361 -1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.741 -4.931 -1.437 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.581 -2.617 -1.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.835 -6.779 -1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.631 -4.831 -0.788 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.273 -6.883 -0.807 1.00 0.00 H new ATOM 535 N SER A 33 -14.151 1.296 -3.229 1.00 0.00 N ATOM 536 CA SER A 33 -14.835 2.568 -3.433 1.00 0.00 C ATOM 537 C SER A 33 -15.210 3.203 -2.098 1.00 0.00 C ATOM 538 O SER A 33 -15.306 4.425 -1.985 1.00 0.00 O ATOM 539 CB SER A 33 -16.089 2.365 -4.285 1.00 0.00 C ATOM 540 OG SER A 33 -16.748 3.596 -4.524 1.00 0.00 O ATOM 0 H SER A 33 -14.701 0.476 -3.485 1.00 0.00 H new ATOM 0 HA SER A 33 -14.154 3.240 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.817 1.904 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.768 1.677 -3.780 1.00 0.00 H new ATOM 0 HG SER A 33 -17.545 3.439 -5.072 1.00 0.00 H new ATOM 546 N ASP A 34 -15.420 2.364 -1.090 1.00 0.00 N ATOM 547 CA ASP A 34 -15.784 2.842 0.239 1.00 0.00 C ATOM 548 C ASP A 34 -14.543 3.238 1.033 1.00 0.00 C ATOM 549 O ASP A 34 -14.642 3.709 2.165 1.00 0.00 O ATOM 550 CB ASP A 34 -16.566 1.767 0.995 1.00 0.00 C ATOM 551 CG ASP A 34 -17.855 1.388 0.293 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.892 2.027 0.570 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.828 0.452 -0.534 1.00 0.00 O ATOM 0 H ASP A 34 -15.345 1.350 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.414 3.723 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.943 0.880 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.794 2.126 1.999 1.00 0.00 H new ATOM 558 N GLY A 35 -13.374 3.043 0.430 1.00 0.00 N ATOM 559 CA GLY A 35 -12.130 3.383 1.096 1.00 0.00 C ATOM 560 C GLY A 35 -11.396 2.162 1.612 1.00 0.00 C ATOM 561 O GLY A 35 -10.169 2.168 1.727 1.00 0.00 O ATOM 0 H GLY A 35 -13.266 2.656 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.486 3.924 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.339 4.056 1.928 1.00 0.00 H new ATOM 565 N HIS A 36 -12.146 1.111 1.927 1.00 0.00 N ATOM 566 CA HIS A 36 -11.558 -0.123 2.436 1.00 0.00 C ATOM 567 C HIS A 36 -10.473 -0.636 1.495 1.00 0.00 C ATOM 568 O HIS A 36 -10.649 -0.651 0.276 1.00 0.00 O ATOM 569 CB HIS A 36 -12.638 -1.190 2.617 1.00 0.00 C ATOM 570 CG HIS A 36 -13.287 -1.163 3.966 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.593 -0.767 4.166 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.803 -1.488 5.188 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.883 -0.847 5.452 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.814 -1.282 6.094 1.00 0.00 N ATOM 0 H HIS A 36 -13.162 1.089 1.839 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.104 0.092 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.403 -1.054 1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.196 -2.173 2.455 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.807 -1.843 5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.833 -0.599 5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.750 -1.439 7.100 1.00 0.00 H new ATOM 583 N LEU A 37 -9.349 -1.055 2.067 1.00 0.00 N ATOM 584 CA LEU A 37 -8.234 -1.568 1.280 1.00 0.00 C ATOM 585 C LEU A 37 -7.940 -3.022 1.635 1.00 0.00 C ATOM 586 O LEU A 37 -7.803 -3.369 2.808 1.00 0.00 O ATOM 587 CB LEU A 37 -6.986 -0.713 1.509 1.00 0.00 C ATOM 588 CG LEU A 37 -5.672 -1.288 0.979 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.666 -1.293 -0.541 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.489 -0.497 1.517 1.00 0.00 C ATOM 0 H LEU A 37 -9.186 -1.049 3.074 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.512 -1.519 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.147 0.260 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.879 -0.542 2.580 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.582 -2.318 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.723 -1.706 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.492 -1.904 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.779 -0.273 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.562 -0.920 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.573 0.543 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.483 -0.546 2.606 1.00 0.00 H new ATOM 602 N ILE A 38 -7.844 -3.867 0.614 1.00 0.00 N ATOM 603 CA ILE A 38 -7.563 -5.282 0.818 1.00 0.00 C ATOM 604 C ILE A 38 -6.524 -5.786 -0.178 1.00 0.00 C ATOM 605 O ILE A 38 -6.682 -5.627 -1.389 1.00 0.00 O ATOM 606 CB ILE A 38 -8.839 -6.134 0.687 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.954 -5.560 1.563 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.552 -7.580 1.065 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.286 -6.251 1.376 1.00 0.00 C ATOM 0 H ILE A 38 -7.957 -3.596 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.171 -5.383 1.830 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.169 -6.109 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.658 -5.636 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.070 -4.499 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.464 -8.169 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.786 -7.984 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.200 -7.624 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.029 -5.792 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.604 -6.153 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.186 -7.307 1.627 1.00 0.00 H new ATOM 621 N TYR A 39 -5.463 -6.396 0.339 1.00 0.00 N ATOM 622 CA TYR A 39 -4.398 -6.923 -0.505 1.00 0.00 C ATOM 623 C TYR A 39 -4.351 -8.447 -0.436 1.00 0.00 C ATOM 624 O TYR A 39 -4.899 -9.055 0.484 1.00 0.00 O ATOM 625 CB TYR A 39 -3.048 -6.341 -0.082 1.00 0.00 C ATOM 626 CG TYR A 39 -2.968 -6.004 1.390 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.741 -4.985 1.932 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.120 -6.706 2.238 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.671 -4.674 3.276 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.045 -6.403 3.583 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.821 -5.386 4.098 1.00 0.00 C ATOM 632 OH TYR A 39 -2.750 -5.080 5.437 1.00 0.00 O ATOM 0 H TYR A 39 -5.318 -6.538 1.339 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.607 -6.630 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.262 -7.055 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.852 -5.440 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.408 -4.427 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.509 -7.502 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.278 -3.878 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.382 -6.960 4.229 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.615 -4.731 5.739 1.00 0.00 H new ATOM 642 N TYR A 40 -3.693 -9.057 -1.416 1.00 0.00 N ATOM 643 CA TYR A 40 -3.576 -10.509 -1.468 1.00 0.00 C ATOM 644 C TYR A 40 -2.119 -10.932 -1.627 1.00 0.00 C ATOM 645 O TYR A 40 -1.221 -10.093 -1.698 1.00 0.00 O ATOM 646 CB TYR A 40 -4.409 -11.067 -2.623 1.00 0.00 C ATOM 647 CG TYR A 40 -5.867 -10.672 -2.564 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.280 -9.404 -2.953 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.833 -11.567 -2.119 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.611 -9.038 -2.900 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.166 -11.210 -2.064 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.550 -9.945 -2.455 1.00 0.00 C ATOM 653 OH TYR A 40 -9.877 -9.585 -2.402 1.00 0.00 O ATOM 0 H TYR A 40 -3.233 -8.569 -2.184 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.953 -10.913 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.985 -10.721 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.335 -12.155 -2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.548 -8.692 -3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.536 -12.559 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.915 -8.047 -3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.904 -11.918 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.407 -10.338 -2.067 1.00 0.00 H new ATOM 663 N ASP A 41 -1.892 -12.240 -1.683 1.00 0.00 N ATOM 664 CA ASP A 41 -0.545 -12.777 -1.836 1.00 0.00 C ATOM 665 C ASP A 41 -0.054 -12.613 -3.271 1.00 0.00 C ATOM 666 O ASP A 41 1.111 -12.290 -3.506 1.00 0.00 O ATOM 667 CB ASP A 41 -0.513 -14.253 -1.438 1.00 0.00 C ATOM 668 CG ASP A 41 0.900 -14.791 -1.319 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.778 -14.322 -2.072 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.127 -15.680 -0.472 1.00 0.00 O ATOM 0 H ASP A 41 -2.624 -12.948 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 41 0.119 -12.217 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.028 -14.381 -0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.060 -14.838 -2.178 1.00 0.00 H new ATOM 675 N ASP A 42 -0.949 -12.840 -4.226 1.00 0.00 N ATOM 676 CA ASP A 42 -0.607 -12.718 -5.638 1.00 0.00 C ATOM 677 C ASP A 42 -1.849 -12.429 -6.475 1.00 0.00 C ATOM 678 O ASP A 42 -2.949 -12.288 -5.941 1.00 0.00 O ATOM 679 CB ASP A 42 0.071 -13.997 -6.133 1.00 0.00 C ATOM 680 CG ASP A 42 1.329 -14.326 -5.353 1.00 0.00 C ATOM 681 OD1 ASP A 42 2.402 -13.793 -5.706 1.00 0.00 O ATOM 682 OD2 ASP A 42 1.239 -15.114 -4.389 1.00 0.00 O ATOM 0 H ASP A 42 -1.917 -13.109 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 42 0.085 -11.883 -5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.629 -14.829 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.320 -13.887 -7.189 1.00 0.00 H new ATOM 687 N GLN A 43 -1.664 -12.342 -7.789 1.00 0.00 N ATOM 688 CA GLN A 43 -2.770 -12.068 -8.698 1.00 0.00 C ATOM 689 C GLN A 43 -3.918 -13.045 -8.470 1.00 0.00 C ATOM 690 O GLN A 43 -5.088 -12.699 -8.641 1.00 0.00 O ATOM 691 CB GLN A 43 -2.296 -12.150 -10.151 1.00 0.00 C ATOM 692 CG GLN A 43 -1.802 -13.530 -10.552 1.00 0.00 C ATOM 693 CD GLN A 43 -0.395 -13.812 -10.062 1.00 0.00 C ATOM 694 OE1 GLN A 43 -0.246 -14.859 -9.260 1.00 0.00 O flip ATOM 695 NE2 GLN A 43 0.547 -13.096 -10.401 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.760 -12.457 -8.247 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.131 -11.059 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.116 -11.861 -10.809 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.494 -11.427 -10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.480 -14.284 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.829 -13.620 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.386 -12.301 -11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.488 -13.298 -10.063 1.00 0.00 H new ATOM 704 N THR A 44 -3.578 -14.271 -8.082 1.00 0.00 N ATOM 705 CA THR A 44 -4.579 -15.299 -7.831 1.00 0.00 C ATOM 706 C THR A 44 -5.728 -14.754 -6.990 1.00 0.00 C ATOM 707 O THR A 44 -6.888 -15.108 -7.203 1.00 0.00 O ATOM 708 CB THR A 44 -3.967 -16.517 -7.115 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.057 -16.082 -6.099 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.239 -17.416 -8.103 1.00 0.00 C ATOM 0 H THR A 44 -2.616 -14.575 -7.935 1.00 0.00 H new ATOM 0 HA THR A 44 -4.960 -15.612 -8.803 1.00 0.00 H new ATOM 0 HB THR A 44 -4.776 -17.086 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.674 -16.863 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.815 -18.270 -7.574 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.941 -17.769 -8.859 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.439 -16.854 -8.585 1.00 0.00 H new ATOM 718 N ARG A 45 -5.399 -13.892 -6.035 1.00 0.00 N ATOM 719 CA ARG A 45 -6.404 -13.299 -5.161 1.00 0.00 C ATOM 720 C ARG A 45 -7.168 -14.378 -4.400 1.00 0.00 C ATOM 721 O ARG A 45 -8.364 -14.240 -4.143 1.00 0.00 O ATOM 722 CB ARG A 45 -7.379 -12.446 -5.975 1.00 0.00 C ATOM 723 CG ARG A 45 -6.943 -10.997 -6.124 1.00 0.00 C ATOM 724 CD ARG A 45 -8.039 -10.147 -6.748 1.00 0.00 C ATOM 725 NE ARG A 45 -8.003 -10.194 -8.207 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.927 -9.639 -8.983 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.954 -8.998 -8.442 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.825 -9.723 -10.303 1.00 0.00 N ATOM 0 H ARG A 45 -4.444 -13.588 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.892 -12.664 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.494 -12.886 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.359 -12.475 -5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.680 -10.593 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.046 -10.947 -6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.011 -10.494 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.931 -9.115 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.226 -10.680 -8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.036 -8.930 -7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.662 -8.573 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.036 -10.214 -10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.535 -9.296 -10.898 1.00 0.00 H new ATOM 742 N GLN A 46 -6.470 -15.452 -4.045 1.00 0.00 N ATOM 743 CA GLN A 46 -7.084 -16.555 -3.315 1.00 0.00 C ATOM 744 C GLN A 46 -6.745 -16.480 -1.830 1.00 0.00 C ATOM 745 O GLN A 46 -7.511 -16.943 -0.985 1.00 0.00 O ATOM 746 CB GLN A 46 -6.620 -17.895 -3.890 1.00 0.00 C ATOM 747 CG GLN A 46 -7.153 -18.175 -5.285 1.00 0.00 C ATOM 748 CD GLN A 46 -8.480 -18.909 -5.267 1.00 0.00 C ATOM 749 OE1 GLN A 46 -9.199 -18.890 -4.268 1.00 0.00 O ATOM 750 NE2 GLN A 46 -8.811 -19.562 -6.375 1.00 0.00 N ATOM 0 H GLN A 46 -5.479 -15.582 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.165 -16.475 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.530 -17.912 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.935 -18.696 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.271 -17.233 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.422 -18.767 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.185 -19.551 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.692 -20.075 -6.421 1.00 0.00 H new ATOM 759 N SER A 47 -5.593 -15.895 -1.520 1.00 0.00 N ATOM 760 CA SER A 47 -5.151 -15.764 -0.136 1.00 0.00 C ATOM 761 C SER A 47 -5.184 -14.305 0.309 1.00 0.00 C ATOM 762 O SER A 47 -4.307 -13.517 -0.045 1.00 0.00 O ATOM 763 CB SER A 47 -3.737 -16.326 0.025 1.00 0.00 C ATOM 764 OG SER A 47 -3.512 -16.769 1.352 1.00 0.00 O ATOM 0 H SER A 47 -4.949 -15.504 -2.208 1.00 0.00 H new ATOM 0 HA SER A 47 -5.835 -16.333 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.591 -17.155 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.006 -15.560 -0.235 1.00 0.00 H new ATOM 0 HG SER A 47 -2.602 -17.125 1.428 1.00 0.00 H new ATOM 770 N ILE A 48 -6.203 -13.954 1.086 1.00 0.00 N ATOM 771 CA ILE A 48 -6.351 -12.591 1.580 1.00 0.00 C ATOM 772 C ILE A 48 -5.319 -12.282 2.660 1.00 0.00 C ATOM 773 O ILE A 48 -5.509 -12.623 3.828 1.00 0.00 O ATOM 774 CB ILE A 48 -7.761 -12.348 2.149 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.818 -12.575 1.066 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.869 -10.940 2.716 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.218 -12.743 1.613 1.00 0.00 C ATOM 0 H ILE A 48 -6.938 -14.594 1.387 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.192 -11.929 0.729 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.938 -13.058 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.805 -11.732 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.553 -13.462 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.872 -10.784 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.138 -10.812 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.675 -10.214 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.914 -12.900 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.247 -13.604 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.504 -11.847 2.164 1.00 0.00 H new ATOM 789 N GLU A 49 -4.229 -11.635 2.262 1.00 0.00 N ATOM 790 CA GLU A 49 -3.168 -11.280 3.197 1.00 0.00 C ATOM 791 C GLU A 49 -3.742 -10.614 4.444 1.00 0.00 C ATOM 792 O GLU A 49 -3.564 -11.104 5.560 1.00 0.00 O ATOM 793 CB GLU A 49 -2.158 -10.346 2.526 1.00 0.00 C ATOM 794 CG GLU A 49 -1.018 -11.076 1.837 1.00 0.00 C ATOM 795 CD GLU A 49 0.063 -11.516 2.804 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.538 -10.667 3.588 1.00 0.00 O ATOM 797 OE2 GLU A 49 0.435 -12.707 2.778 1.00 0.00 O ATOM 0 H GLU A 49 -4.057 -11.346 1.299 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.661 -12.197 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.678 -9.728 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.745 -9.672 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.412 -11.949 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.580 -10.425 1.080 1.00 0.00 H new ATOM 804 N ASP A 50 -4.431 -9.496 4.247 1.00 0.00 N ATOM 805 CA ASP A 50 -5.032 -8.762 5.355 1.00 0.00 C ATOM 806 C ASP A 50 -5.992 -7.693 4.842 1.00 0.00 C ATOM 807 O ASP A 50 -6.199 -7.557 3.636 1.00 0.00 O ATOM 808 CB ASP A 50 -3.946 -8.118 6.218 1.00 0.00 C ATOM 809 CG ASP A 50 -4.401 -7.887 7.645 1.00 0.00 C ATOM 810 OD1 ASP A 50 -5.118 -8.754 8.188 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.040 -6.839 8.220 1.00 0.00 O ATOM 0 H ASP A 50 -4.588 -9.078 3.330 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.596 -9.470 5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.062 -8.756 6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.651 -7.167 5.775 1.00 0.00 H new ATOM 816 N LYS A 51 -6.576 -6.938 5.766 1.00 0.00 N ATOM 817 CA LYS A 51 -7.515 -5.881 5.409 1.00 0.00 C ATOM 818 C LYS A 51 -7.344 -4.671 6.321 1.00 0.00 C ATOM 819 O LYS A 51 -7.202 -4.812 7.536 1.00 0.00 O ATOM 820 CB LYS A 51 -8.953 -6.397 5.492 1.00 0.00 C ATOM 821 CG LYS A 51 -9.993 -5.292 5.564 1.00 0.00 C ATOM 822 CD LYS A 51 -11.379 -5.849 5.840 1.00 0.00 C ATOM 823 CE LYS A 51 -12.086 -6.247 4.553 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.564 -6.308 4.728 1.00 0.00 N ATOM 0 H LYS A 51 -6.416 -7.038 6.768 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.305 -5.574 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.157 -7.020 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.051 -7.035 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.721 -4.585 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.003 -4.738 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.300 -6.716 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.974 -5.103 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.842 -5.531 3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.719 -7.219 4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.009 -6.582 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.798 -7.010 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.918 -5.374 5.019 1.00 0.00 H new ATOM 838 N VAL A 52 -7.361 -3.481 5.729 1.00 0.00 N ATOM 839 CA VAL A 52 -7.211 -2.246 6.489 1.00 0.00 C ATOM 840 C VAL A 52 -7.900 -1.081 5.787 1.00 0.00 C ATOM 841 O VAL A 52 -7.817 -0.941 4.566 1.00 0.00 O ATOM 842 CB VAL A 52 -5.726 -1.896 6.704 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.575 -0.440 7.119 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.105 -2.822 7.739 1.00 0.00 C ATOM 0 H VAL A 52 -7.477 -3.346 4.725 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.682 -2.412 7.458 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.197 -2.036 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.520 -0.211 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.981 0.205 6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.117 -0.269 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.056 -2.561 7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.634 -2.716 8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.179 -3.854 7.395 1.00 0.00 H new ATOM 854 N HIS A 53 -8.580 -0.246 6.567 1.00 0.00 N ATOM 855 CA HIS A 53 -9.283 0.909 6.020 1.00 0.00 C ATOM 856 C HIS A 53 -8.336 2.094 5.855 1.00 0.00 C ATOM 857 O HIS A 53 -7.221 2.086 6.375 1.00 0.00 O ATOM 858 CB HIS A 53 -10.452 1.297 6.926 1.00 0.00 C ATOM 859 CG HIS A 53 -11.638 1.827 6.181 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.831 2.145 6.793 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.808 2.096 4.865 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.686 2.585 5.887 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.089 2.566 4.709 1.00 0.00 N ATOM 0 H HIS A 53 -8.659 -0.348 7.579 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.669 0.636 5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.757 0.425 7.505 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.114 2.050 7.638 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.074 1.965 4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.700 2.905 6.077 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.511 2.854 3.826 1.00 0.00 H new ATOM 872 N MET A 54 -8.789 3.110 5.128 1.00 0.00 N ATOM 873 CA MET A 54 -7.981 4.302 4.895 1.00 0.00 C ATOM 874 C MET A 54 -8.437 5.450 5.790 1.00 0.00 C ATOM 875 O MET A 54 -7.746 5.850 6.727 1.00 0.00 O ATOM 876 CB MET A 54 -8.064 4.721 3.426 1.00 0.00 C ATOM 877 CG MET A 54 -6.919 4.190 2.578 1.00 0.00 C ATOM 878 SD MET A 54 -5.305 4.731 3.173 1.00 0.00 S ATOM 879 CE MET A 54 -5.409 6.494 2.877 1.00 0.00 C ATOM 0 H MET A 54 -9.710 3.132 4.690 1.00 0.00 H new ATOM 0 HA MET A 54 -6.946 4.063 5.139 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.008 4.370 3.009 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.075 5.809 3.367 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.953 3.101 2.570 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.052 4.520 1.548 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.411 6.930 2.921 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.840 6.673 1.892 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.040 6.954 3.638 1.00 0.00 H new ATOM 889 N PRO A 55 -9.627 5.994 5.496 1.00 0.00 N ATOM 890 CA PRO A 55 -10.201 7.104 6.263 1.00 0.00 C ATOM 891 C PRO A 55 -10.631 6.680 7.663 1.00 0.00 C ATOM 892 O PRO A 55 -11.173 7.479 8.426 1.00 0.00 O ATOM 893 CB PRO A 55 -11.419 7.516 5.432 1.00 0.00 C ATOM 894 CG PRO A 55 -11.793 6.290 4.674 1.00 0.00 C ATOM 895 CD PRO A 55 -10.505 5.567 4.393 1.00 0.00 C ATOM 0 HA PRO A 55 -9.481 7.908 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.237 7.853 6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.179 8.339 4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.473 5.665 5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.307 6.546 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.644 4.486 4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.093 5.842 3.422 1.00 0.00 H new ATOM 903 N VAL A 56 -10.384 5.416 7.996 1.00 0.00 N ATOM 904 CA VAL A 56 -10.744 4.887 9.306 1.00 0.00 C ATOM 905 C VAL A 56 -9.520 4.341 10.033 1.00 0.00 C ATOM 906 O VAL A 56 -9.296 4.643 11.205 1.00 0.00 O ATOM 907 CB VAL A 56 -11.799 3.770 9.189 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.801 2.905 10.440 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.177 4.364 8.939 1.00 0.00 C ATOM 0 H VAL A 56 -9.936 4.740 7.377 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.164 5.715 9.878 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.542 3.137 8.339 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.552 2.122 10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.819 2.451 10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.034 3.522 11.308 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.910 3.561 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.446 5.020 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.164 4.937 8.012 1.00 0.00 H new ATOM 919 N ASP A 57 -8.731 3.536 9.330 1.00 0.00 N ATOM 920 CA ASP A 57 -7.528 2.948 9.907 1.00 0.00 C ATOM 921 C ASP A 57 -6.328 3.872 9.719 1.00 0.00 C ATOM 922 O ASP A 57 -5.602 4.164 10.670 1.00 0.00 O ATOM 923 CB ASP A 57 -7.244 1.587 9.271 1.00 0.00 C ATOM 924 CG ASP A 57 -6.590 0.621 10.240 1.00 0.00 C ATOM 925 OD1 ASP A 57 -7.203 0.325 11.286 1.00 0.00 O ATOM 926 OD2 ASP A 57 -5.465 0.161 9.952 1.00 0.00 O ATOM 0 H ASP A 57 -8.903 3.276 8.359 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.696 2.813 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.177 1.157 8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.597 1.722 8.404 1.00 0.00 H new ATOM 931 N CYS A 58 -6.126 4.327 8.488 1.00 0.00 N ATOM 932 CA CYS A 58 -5.012 5.215 8.174 1.00 0.00 C ATOM 933 C CYS A 58 -5.302 6.637 8.645 1.00 0.00 C ATOM 934 O CYS A 58 -6.246 7.275 8.179 1.00 0.00 O ATOM 935 CB CYS A 58 -4.736 5.210 6.670 1.00 0.00 C ATOM 936 SG CYS A 58 -3.384 6.299 6.164 1.00 0.00 S ATOM 0 H CYS A 58 -6.719 4.096 7.691 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.129 4.850 8.699 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.505 4.192 6.357 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.643 5.507 6.144 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.707 6.665 7.211 1.00 0.00 H new ATOM 942 N ILE A 59 -4.486 7.125 9.572 1.00 0.00 N ATOM 943 CA ILE A 59 -4.655 8.471 10.107 1.00 0.00 C ATOM 944 C ILE A 59 -3.800 9.477 9.344 1.00 0.00 C ATOM 945 O ILE A 59 -4.112 10.666 9.302 1.00 0.00 O ATOM 946 CB ILE A 59 -4.291 8.533 11.602 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.093 7.628 11.895 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.486 8.133 12.455 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.337 8.014 13.147 1.00 0.00 C ATOM 0 H ILE A 59 -3.701 6.609 9.969 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.707 8.728 9.988 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.018 9.558 11.853 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.440 6.599 11.992 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.411 7.655 11.045 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.213 8.182 13.509 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.315 8.815 12.263 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.787 7.116 12.205 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.501 7.330 13.293 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.960 9.031 13.045 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.005 7.959 14.007 1.00 0.00 H new ATOM 961 N ASN A 60 -2.720 8.990 8.741 1.00 0.00 N ATOM 962 CA ASN A 60 -1.819 9.847 7.979 1.00 0.00 C ATOM 963 C ASN A 60 -1.125 9.058 6.872 1.00 0.00 C ATOM 964 O ASN A 60 -1.140 7.827 6.871 1.00 0.00 O ATOM 965 CB ASN A 60 -0.775 10.476 8.903 1.00 0.00 C ATOM 966 CG ASN A 60 -0.194 11.756 8.333 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.851 12.797 8.321 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.043 11.683 7.858 1.00 0.00 N ATOM 0 H ASN A 60 -2.448 8.007 8.765 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.412 10.639 7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.230 10.686 9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.029 9.761 9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.487 12.512 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.550 10.798 7.889 1.00 0.00 H new ATOM 975 N ILE A 61 -0.518 9.776 5.933 1.00 0.00 N ATOM 976 CA ILE A 61 0.183 9.143 4.823 1.00 0.00 C ATOM 977 C ILE A 61 1.552 9.778 4.603 1.00 0.00 C ATOM 978 O ILE A 61 1.675 11.001 4.530 1.00 0.00 O ATOM 979 CB ILE A 61 -0.630 9.237 3.518 1.00 0.00 C ATOM 980 CG1 ILE A 61 -2.058 8.737 3.744 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.048 8.439 2.414 1.00 0.00 C ATOM 982 CD1 ILE A 61 -3.021 9.145 2.651 1.00 0.00 C ATOM 0 H ILE A 61 -0.498 10.796 5.919 1.00 0.00 H new ATOM 0 HA ILE A 61 0.311 8.093 5.088 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.676 10.281 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.046 7.650 3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.421 9.119 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.538 8.515 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.048 8.836 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.120 7.393 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.014 8.756 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.062 10.232 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.681 8.741 1.697 1.00 0.00 H new ATOM 994 N ARG A 62 2.577 8.939 4.496 1.00 0.00 N ATOM 995 CA ARG A 62 3.937 9.419 4.284 1.00 0.00 C ATOM 996 C ARG A 62 4.533 8.819 3.014 1.00 0.00 C ATOM 997 O ARG A 62 4.177 7.711 2.611 1.00 0.00 O ATOM 998 CB ARG A 62 4.817 9.071 5.486 1.00 0.00 C ATOM 999 CG ARG A 62 4.233 9.515 6.817 1.00 0.00 C ATOM 1000 CD ARG A 62 4.731 8.647 7.962 1.00 0.00 C ATOM 1001 NE ARG A 62 5.981 9.148 8.526 1.00 0.00 N ATOM 1002 CZ ARG A 62 6.386 8.886 9.764 1.00 0.00 C ATOM 1003 NH1 ARG A 62 5.644 8.131 10.562 1.00 0.00 N ATOM 1004 NH2 ARG A 62 7.536 9.378 10.205 1.00 0.00 N ATOM 0 H ARG A 62 2.492 7.924 4.553 1.00 0.00 H new ATOM 0 HA ARG A 62 3.899 10.503 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.975 7.993 5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.795 9.534 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.501 10.555 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.145 9.470 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.972 8.607 8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.877 7.627 7.606 1.00 0.00 H new ATOM 0 HE ARG A 62 6.576 9.731 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.760 7.750 10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.957 7.932 11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.110 9.958 9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.846 9.176 11.156 1.00 0.00 H new ATOM 1018 N THR A 63 5.442 9.559 2.386 1.00 0.00 N ATOM 1019 CA THR A 63 6.086 9.102 1.161 1.00 0.00 C ATOM 1020 C THR A 63 7.536 9.565 1.096 1.00 0.00 C ATOM 1021 O THR A 63 7.879 10.636 1.596 1.00 0.00 O ATOM 1022 CB THR A 63 5.341 9.609 -0.088 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.095 11.016 0.025 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.022 8.872 -0.269 1.00 0.00 C ATOM 0 H THR A 63 5.749 10.478 2.706 1.00 0.00 H new ATOM 0 HA THR A 63 6.056 8.013 1.176 1.00 0.00 H new ATOM 0 HB THR A 63 5.968 9.419 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.739 11.412 0.649 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.514 9.248 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.214 7.805 -0.384 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.391 9.035 0.605 1.00 0.00 H new ATOM 1032 N GLY A 64 8.386 8.751 0.477 1.00 0.00 N ATOM 1033 CA GLY A 64 9.791 9.095 0.358 1.00 0.00 C ATOM 1034 C GLY A 64 10.513 9.051 1.690 1.00 0.00 C ATOM 1035 O GLY A 64 10.496 8.032 2.381 1.00 0.00 O ATOM 0 H GLY A 64 8.126 7.859 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.273 8.406 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.883 10.094 -0.069 1.00 0.00 H new ATOM 1039 N HIS A 65 11.152 10.159 2.052 1.00 0.00 N ATOM 1040 CA HIS A 65 11.885 10.243 3.310 1.00 0.00 C ATOM 1041 C HIS A 65 10.935 10.499 4.477 1.00 0.00 C ATOM 1042 O HIS A 65 11.237 10.162 5.621 1.00 0.00 O ATOM 1043 CB HIS A 65 12.936 11.351 3.240 1.00 0.00 C ATOM 1044 CG HIS A 65 13.978 11.123 2.190 1.00 0.00 C ATOM 1045 ND1 HIS A 65 15.012 10.223 2.339 1.00 0.00 N ATOM 1046 CD2 HIS A 65 14.141 11.682 0.968 1.00 0.00 C ATOM 1047 CE1 HIS A 65 15.767 10.240 1.255 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.260 11.116 0.407 1.00 0.00 N ATOM 0 H HIS A 65 11.177 11.011 1.492 1.00 0.00 H new ATOM 0 HA HIS A 65 12.385 9.289 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.438 12.301 3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.424 11.440 4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 65 13.509 12.433 0.518 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.649 9.639 1.090 1.00 0.00 H new ATOM 0 HE2 HIS A 65 15.638 11.337 -0.514 1.00 0.00 H new ATOM 1057 N GLU A 66 9.786 11.098 4.178 1.00 0.00 N ATOM 1058 CA GLU A 66 8.794 11.401 5.202 1.00 0.00 C ATOM 1059 C GLU A 66 8.472 10.160 6.031 1.00 0.00 C ATOM 1060 O GLU A 66 8.303 10.241 7.248 1.00 0.00 O ATOM 1061 CB GLU A 66 7.516 11.945 4.561 1.00 0.00 C ATOM 1062 CG GLU A 66 7.603 13.414 4.182 1.00 0.00 C ATOM 1063 CD GLU A 66 7.535 14.332 5.387 1.00 0.00 C ATOM 1064 OE1 GLU A 66 8.164 14.009 6.416 1.00 0.00 O ATOM 1065 OE2 GLU A 66 6.852 15.374 5.300 1.00 0.00 O ATOM 0 H GLU A 66 9.520 11.383 3.235 1.00 0.00 H new ATOM 0 HA GLU A 66 9.212 12.161 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.290 11.361 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.685 11.805 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.535 13.593 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.790 13.658 3.498 1.00 0.00 H new ATOM 1138 N GLN A 71 14.217 1.767 4.773 1.00 0.00 N ATOM 1139 CA GLN A 71 15.103 1.863 3.618 1.00 0.00 C ATOM 1140 C GLN A 71 14.496 1.162 2.407 1.00 0.00 C ATOM 1141 O GLN A 71 13.933 0.072 2.508 1.00 0.00 O ATOM 1142 CB GLN A 71 16.468 1.255 3.944 1.00 0.00 C ATOM 1143 CG GLN A 71 16.400 -0.209 4.351 1.00 0.00 C ATOM 1144 CD GLN A 71 17.771 -0.814 4.582 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.531 -1.036 3.639 1.00 0.00 O ATOM 1146 NE2 GLN A 71 18.094 -1.084 5.841 1.00 0.00 N ATOM 0 HA GLN A 71 15.232 2.918 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.117 1.352 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.928 1.827 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.808 -0.302 5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.883 -0.774 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.433 -0.883 6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.003 -1.492 6.058 1.00 0.00 H new ATOM 1155 N PRO A 72 14.613 1.801 1.234 1.00 0.00 N ATOM 1156 CA PRO A 72 14.082 1.256 -0.020 1.00 0.00 C ATOM 1157 C PRO A 72 14.860 0.034 -0.496 1.00 0.00 C ATOM 1158 O PRO A 72 16.031 -0.154 -0.166 1.00 0.00 O ATOM 1159 CB PRO A 72 14.248 2.414 -1.007 1.00 0.00 C ATOM 1160 CG PRO A 72 15.370 3.225 -0.456 1.00 0.00 C ATOM 1161 CD PRO A 72 15.272 3.103 1.040 1.00 0.00 C ATOM 0 HA PRO A 72 13.053 0.913 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.477 2.050 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.334 3.003 -1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.331 2.857 -0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.290 4.266 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.255 3.130 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.689 3.917 1.472 1.00 0.00 H new ATOM 1169 N PRO A 73 14.195 -0.818 -1.291 1.00 0.00 N ATOM 1170 CA PRO A 73 14.806 -2.037 -1.830 1.00 0.00 C ATOM 1171 C PRO A 73 15.872 -1.736 -2.879 1.00 0.00 C ATOM 1172 O PRO A 73 15.645 -0.952 -3.801 1.00 0.00 O ATOM 1173 CB PRO A 73 13.624 -2.774 -2.465 1.00 0.00 C ATOM 1174 CG PRO A 73 12.641 -1.703 -2.793 1.00 0.00 C ATOM 1175 CD PRO A 73 12.797 -0.657 -1.725 1.00 0.00 C ATOM 0 HA PRO A 73 15.320 -2.611 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.930 -3.317 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.198 -3.505 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.835 -1.284 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.625 -2.097 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.609 0.344 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.100 -0.816 -0.902 1.00 0.00 H new ATOM 1183 N ASP A 74 17.033 -2.364 -2.732 1.00 0.00 N ATOM 1184 CA ASP A 74 18.134 -2.165 -3.667 1.00 0.00 C ATOM 1185 C ASP A 74 17.620 -2.087 -5.102 1.00 0.00 C ATOM 1186 O ASP A 74 16.883 -2.961 -5.556 1.00 0.00 O ATOM 1187 CB ASP A 74 19.153 -3.298 -3.537 1.00 0.00 C ATOM 1188 CG ASP A 74 19.798 -3.342 -2.166 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.805 -2.633 -1.961 1.00 0.00 O ATOM 1190 OD2 ASP A 74 19.296 -4.086 -1.298 1.00 0.00 O ATOM 0 H ASP A 74 17.236 -3.016 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 74 18.620 -1.221 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.660 -4.250 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.926 -3.176 -4.295 1.00 0.00 H new ATOM 1195 N GLY A 75 18.015 -1.034 -5.810 1.00 0.00 N ATOM 1196 CA GLY A 75 17.585 -0.861 -7.185 1.00 0.00 C ATOM 1197 C GLY A 75 16.488 0.176 -7.323 1.00 0.00 C ATOM 1198 O GLY A 75 16.385 0.850 -8.349 1.00 0.00 O ATOM 0 H GLY A 75 18.625 -0.297 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.439 -0.566 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.230 -1.815 -7.574 1.00 0.00 H new ATOM 1202 N LYS A 76 15.663 0.304 -6.289 1.00 0.00 N ATOM 1203 CA LYS A 76 14.568 1.266 -6.298 1.00 0.00 C ATOM 1204 C LYS A 76 14.957 2.542 -5.559 1.00 0.00 C ATOM 1205 O LYS A 76 15.668 2.513 -4.554 1.00 0.00 O ATOM 1206 CB LYS A 76 13.319 0.654 -5.658 1.00 0.00 C ATOM 1207 CG LYS A 76 12.795 -0.567 -6.394 1.00 0.00 C ATOM 1208 CD LYS A 76 11.839 -0.179 -7.509 1.00 0.00 C ATOM 1209 CE LYS A 76 11.190 -1.402 -8.138 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.027 -1.977 -9.227 1.00 0.00 N ATOM 0 H LYS A 76 15.732 -0.247 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 76 14.350 1.521 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.547 0.377 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.534 1.409 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.631 -1.129 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.286 -1.226 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.067 0.481 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.378 0.382 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.022 -2.158 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.213 -1.130 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.550 -2.809 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.166 -1.264 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.951 -2.261 -8.842 1.00 0.00 H new ATOM 1224 N PRO A 77 14.481 3.689 -6.065 1.00 0.00 N ATOM 1225 CA PRO A 77 14.766 4.997 -5.467 1.00 0.00 C ATOM 1226 C PRO A 77 14.066 5.185 -4.125 1.00 0.00 C ATOM 1227 O PRO A 77 13.569 4.226 -3.534 1.00 0.00 O ATOM 1228 CB PRO A 77 14.217 5.986 -6.499 1.00 0.00 C ATOM 1229 CG PRO A 77 13.162 5.228 -7.227 1.00 0.00 C ATOM 1230 CD PRO A 77 13.628 3.798 -7.261 1.00 0.00 C ATOM 0 HA PRO A 77 15.827 5.126 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.806 6.873 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.000 6.325 -7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.201 5.313 -6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.027 5.618 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.791 3.101 -7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.184 3.578 -8.172 1.00 0.00 H new ATOM 1238 N ARG A 78 14.031 6.425 -3.650 1.00 0.00 N ATOM 1239 CA ARG A 78 13.393 6.738 -2.377 1.00 0.00 C ATOM 1240 C ARG A 78 11.994 7.306 -2.595 1.00 0.00 C ATOM 1241 O ARG A 78 11.050 6.945 -1.892 1.00 0.00 O ATOM 1242 CB ARG A 78 14.243 7.736 -1.588 1.00 0.00 C ATOM 1243 CG ARG A 78 13.566 8.249 -0.327 1.00 0.00 C ATOM 1244 CD ARG A 78 13.869 7.359 0.869 1.00 0.00 C ATOM 1245 NE ARG A 78 15.304 7.197 1.081 1.00 0.00 N ATOM 1246 CZ ARG A 78 15.825 6.412 2.019 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.031 5.721 2.825 1.00 0.00 N ATOM 1248 NH2 ARG A 78 17.142 6.317 2.150 1.00 0.00 N ATOM 0 H ARG A 78 14.437 7.230 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 78 13.306 5.814 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.186 7.262 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.485 8.583 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.902 9.265 -0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.488 8.295 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.417 7.787 1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.412 6.381 0.718 1.00 0.00 H new ATOM 0 HE ARG A 78 15.942 7.714 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.018 5.791 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.433 5.119 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.756 6.847 1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.541 5.714 2.870 1.00 0.00 H new ATOM 1262 N ASP A 79 11.868 8.196 -3.573 1.00 0.00 N ATOM 1263 CA ASP A 79 10.585 8.814 -3.885 1.00 0.00 C ATOM 1264 C ASP A 79 9.545 7.756 -4.243 1.00 0.00 C ATOM 1265 O ASP A 79 8.350 8.044 -4.309 1.00 0.00 O ATOM 1266 CB ASP A 79 10.739 9.806 -5.039 1.00 0.00 C ATOM 1267 CG ASP A 79 9.621 10.830 -5.075 1.00 0.00 C ATOM 1268 OD1 ASP A 79 8.511 10.514 -4.596 1.00 0.00 O ATOM 1269 OD2 ASP A 79 9.856 11.946 -5.582 1.00 0.00 O ATOM 0 H ASP A 79 12.640 8.506 -4.164 1.00 0.00 H new ATOM 0 HA ASP A 79 10.243 9.349 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.696 10.320 -4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.759 9.261 -5.983 1.00 0.00 H new ATOM 1274 N CYS A 80 10.009 6.533 -4.473 1.00 0.00 N ATOM 1275 CA CYS A 80 9.120 5.432 -4.826 1.00 0.00 C ATOM 1276 C CYS A 80 8.657 4.685 -3.579 1.00 0.00 C ATOM 1277 O CYS A 80 8.052 3.616 -3.671 1.00 0.00 O ATOM 1278 CB CYS A 80 9.823 4.467 -5.781 1.00 0.00 C ATOM 1279 SG CYS A 80 11.167 3.526 -5.023 1.00 0.00 S ATOM 0 H CYS A 80 10.995 6.279 -4.421 1.00 0.00 H new ATOM 0 HA CYS A 80 8.245 5.850 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.087 3.770 -6.183 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.220 5.032 -6.624 1.00 0.00 H new ATOM 0 HG CYS A 80 11.737 4.247 -4.103 1.00 0.00 H new ATOM 1285 N LEU A 81 8.947 5.254 -2.414 1.00 0.00 N ATOM 1286 CA LEU A 81 8.562 4.641 -1.147 1.00 0.00 C ATOM 1287 C LEU A 81 7.208 5.164 -0.679 1.00 0.00 C ATOM 1288 O LEU A 81 6.891 6.342 -0.852 1.00 0.00 O ATOM 1289 CB LEU A 81 9.624 4.917 -0.081 1.00 0.00 C ATOM 1290 CG LEU A 81 10.863 4.022 -0.122 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.703 4.216 1.131 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.462 2.562 -0.276 1.00 0.00 C ATOM 0 H LEU A 81 9.447 6.138 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 81 8.482 3.565 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.946 5.954 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.160 4.817 0.900 1.00 0.00 H new ATOM 0 HG LEU A 81 11.464 4.306 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.580 3.571 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.021 5.257 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.111 3.960 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.357 1.940 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.839 2.265 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.903 2.434 -1.203 1.00 0.00 H new ATOM 1304 N LEU A 82 6.413 4.282 -0.083 1.00 0.00 N ATOM 1305 CA LEU A 82 5.093 4.655 0.413 1.00 0.00 C ATOM 1306 C LEU A 82 4.831 4.037 1.783 1.00 0.00 C ATOM 1307 O LEU A 82 5.097 2.855 2.001 1.00 0.00 O ATOM 1308 CB LEU A 82 4.011 4.212 -0.574 1.00 0.00 C ATOM 1309 CG LEU A 82 2.642 4.872 -0.410 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.572 6.164 -1.209 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.535 3.919 -0.837 1.00 0.00 C ATOM 0 H LEU A 82 6.659 3.304 0.068 1.00 0.00 H new ATOM 0 HA LEU A 82 5.063 5.740 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.368 4.408 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.885 3.133 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 82 2.501 5.112 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.590 6.619 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.340 6.852 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.736 5.948 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.568 4.406 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.673 3.647 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.570 3.021 -0.221 1.00 0.00 H new ATOM 1323 N GLN A 83 4.307 4.843 2.700 1.00 0.00 N ATOM 1324 CA GLN A 83 4.008 4.374 4.048 1.00 0.00 C ATOM 1325 C GLN A 83 2.618 4.822 4.485 1.00 0.00 C ATOM 1326 O GLN A 83 2.233 5.973 4.277 1.00 0.00 O ATOM 1327 CB GLN A 83 5.057 4.890 5.035 1.00 0.00 C ATOM 1328 CG GLN A 83 5.295 3.959 6.213 1.00 0.00 C ATOM 1329 CD GLN A 83 6.484 4.375 7.055 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.361 5.203 7.958 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.646 3.801 6.764 1.00 0.00 N ATOM 0 H GLN A 83 4.081 5.824 2.535 1.00 0.00 H new ATOM 0 HA GLN A 83 4.032 3.284 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.998 5.041 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.743 5.864 5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.403 3.935 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.453 2.946 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.703 3.120 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.481 4.042 7.297 1.00 0.00 H new ATOM 1340 N ILE A 84 1.869 3.907 5.091 1.00 0.00 N ATOM 1341 CA ILE A 84 0.522 4.209 5.557 1.00 0.00 C ATOM 1342 C ILE A 84 0.450 4.188 7.080 1.00 0.00 C ATOM 1343 O ILE A 84 0.504 3.127 7.701 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.507 3.211 4.992 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.336 3.072 3.478 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.920 3.658 5.333 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.802 4.284 2.703 1.00 0.00 C ATOM 0 H ILE A 84 2.173 2.950 5.271 1.00 0.00 H new ATOM 0 HA ILE A 84 0.281 5.209 5.197 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.336 2.236 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.715 2.890 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.890 2.198 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.636 2.943 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.034 3.710 6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.105 4.641 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.651 4.114 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.861 4.455 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.231 5.158 3.016 1.00 0.00 H new ATOM 1359 N VAL A 85 0.325 5.370 7.677 1.00 0.00 N ATOM 1360 CA VAL A 85 0.243 5.488 9.128 1.00 0.00 C ATOM 1361 C VAL A 85 -1.132 5.067 9.636 1.00 0.00 C ATOM 1362 O VAL A 85 -2.138 5.714 9.342 1.00 0.00 O ATOM 1363 CB VAL A 85 0.530 6.928 9.591 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.442 7.030 11.106 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.895 7.384 9.096 1.00 0.00 C ATOM 0 H VAL A 85 0.278 6.258 7.178 1.00 0.00 H new ATOM 0 HA VAL A 85 1.000 4.823 9.543 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.226 7.586 9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.648 8.055 11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.559 6.747 11.432 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.174 6.361 11.559 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.082 8.404 9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.666 6.724 9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.917 7.351 8.007 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.167 3.981 10.400 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.419 3.473 10.950 1.00 0.00 C ATOM 1377 C CYS A 86 -2.499 3.733 12.451 1.00 0.00 C ATOM 1378 O CYS A 86 -1.476 3.844 13.127 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.552 1.976 10.672 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.913 1.574 8.946 1.00 0.00 S ATOM 0 H CYS A 86 -0.343 3.435 10.653 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.240 4.000 10.464 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.626 1.480 10.963 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.343 1.569 11.302 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.109 1.073 8.858 1.00 0.00 H new ATOM 1386 N ARG A 87 -3.720 3.831 12.965 1.00 0.00 N ATOM 1387 CA ARG A 87 -3.934 4.081 14.385 1.00 0.00 C ATOM 1388 C ARG A 87 -3.278 2.995 15.233 1.00 0.00 C ATOM 1389 O ARG A 87 -2.670 2.064 14.705 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.431 4.150 14.694 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.179 5.173 13.856 1.00 0.00 C ATOM 1392 CD ARG A 87 -7.629 4.767 13.644 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.506 5.926 13.500 1.00 0.00 N ATOM 1394 CZ ARG A 87 -8.726 6.806 14.469 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -8.135 6.662 15.647 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.538 7.835 14.262 1.00 0.00 N ATOM 0 H ARG A 87 -4.577 3.741 12.419 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.475 5.038 14.632 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.873 3.167 14.531 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.565 4.389 15.749 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.140 6.145 14.347 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.686 5.284 12.890 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.704 4.143 12.754 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.963 4.162 14.487 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.975 6.067 12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.509 5.873 15.811 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.306 7.340 16.390 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.994 7.951 13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.706 8.510 15.008 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.405 3.122 16.549 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.826 2.151 17.470 1.00 0.00 C ATOM 1412 C ASP A 88 -1.318 2.040 17.265 1.00 0.00 C ATOM 1413 O ASP A 88 -0.740 0.964 17.408 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.481 0.782 17.281 1.00 0.00 C ATOM 1415 CG ASP A 88 -4.952 0.788 17.648 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -5.714 1.561 17.029 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -5.342 0.022 18.553 1.00 0.00 O ATOM 0 H ASP A 88 -3.904 3.888 17.002 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.012 2.496 18.487 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.370 0.470 16.243 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.960 0.046 17.893 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.688 3.161 16.928 1.00 0.00 N ATOM 1423 CA GLY A 89 0.747 3.168 16.707 1.00 0.00 C ATOM 1424 C GLY A 89 1.184 2.115 15.708 1.00 0.00 C ATOM 1425 O GLY A 89 2.266 1.541 15.832 1.00 0.00 O ATOM 0 H GLY A 89 -1.145 4.064 16.804 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.052 4.152 16.350 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.258 3.000 17.655 1.00 0.00 H new ATOM 1429 N LYS A 90 0.341 1.860 14.713 1.00 0.00 N ATOM 1430 CA LYS A 90 0.645 0.869 13.687 1.00 0.00 C ATOM 1431 C LYS A 90 0.948 1.543 12.353 1.00 0.00 C ATOM 1432 O LYS A 90 0.365 2.576 12.020 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.525 -0.103 13.525 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.118 -1.458 12.971 1.00 0.00 C ATOM 1435 CD LYS A 90 -0.165 -1.476 11.452 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.581 -1.691 10.941 1.00 0.00 C ATOM 1437 NZ LYS A 90 -1.920 -3.138 10.839 1.00 0.00 N ATOM 0 H LYS A 90 -0.559 2.326 14.595 1.00 0.00 H new ATOM 0 HA LYS A 90 1.529 0.315 14.003 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.005 -0.245 14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.268 0.343 12.863 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.890 -1.702 13.308 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.781 -2.228 13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.224 -0.535 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.483 -2.268 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.287 -1.199 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.689 -1.223 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.893 -3.243 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.262 -3.603 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.842 -3.580 11.777 1.00 0.00 H new ATOM 1451 N THR A 91 1.863 0.952 11.590 1.00 0.00 N ATOM 1452 CA THR A 91 2.242 1.495 10.292 1.00 0.00 C ATOM 1453 C THR A 91 2.470 0.382 9.276 1.00 0.00 C ATOM 1454 O THR A 91 2.796 -0.748 9.641 1.00 0.00 O ATOM 1455 CB THR A 91 3.518 2.352 10.393 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.311 3.435 11.307 1.00 0.00 O ATOM 1457 CG2 THR A 91 3.911 2.901 9.029 1.00 0.00 C ATOM 0 H THR A 91 2.355 0.097 11.849 1.00 0.00 H new ATOM 0 HA THR A 91 1.416 2.124 9.959 1.00 0.00 H new ATOM 0 HB THR A 91 4.326 1.718 10.759 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.128 3.974 11.366 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.815 3.503 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.097 2.074 8.344 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.103 3.520 8.639 1.00 0.00 H new ATOM 1465 N ILE A 92 2.299 0.709 7.999 1.00 0.00 N ATOM 1466 CA ILE A 92 2.488 -0.264 6.930 1.00 0.00 C ATOM 1467 C ILE A 92 3.496 0.238 5.902 1.00 0.00 C ATOM 1468 O ILE A 92 3.276 1.257 5.248 1.00 0.00 O ATOM 1469 CB ILE A 92 1.160 -0.583 6.218 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.197 -1.285 7.177 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.412 -1.443 4.989 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.252 -1.194 6.752 1.00 0.00 C ATOM 0 H ILE A 92 2.030 1.640 7.680 1.00 0.00 H new ATOM 0 HA ILE A 92 2.869 -1.174 7.394 1.00 0.00 H new ATOM 0 HB ILE A 92 0.704 0.353 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.478 -2.335 7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.304 -0.849 8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.464 -1.660 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.066 -0.909 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.887 -2.377 5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.877 -1.713 7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.551 -0.147 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.374 -1.656 5.772 1.00 0.00 H new ATOM 1484 N SER A 93 4.602 -0.486 5.764 1.00 0.00 N ATOM 1485 CA SER A 93 5.646 -0.113 4.816 1.00 0.00 C ATOM 1486 C SER A 93 5.320 -0.631 3.418 1.00 0.00 C ATOM 1487 O SER A 93 5.124 -1.830 3.217 1.00 0.00 O ATOM 1488 CB SER A 93 6.999 -0.662 5.273 1.00 0.00 C ATOM 1489 OG SER A 93 7.169 -0.500 6.671 1.00 0.00 O ATOM 0 H SER A 93 4.798 -1.334 6.296 1.00 0.00 H new ATOM 0 HA SER A 93 5.697 0.975 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.073 -1.718 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.801 -0.148 4.744 1.00 0.00 H new ATOM 0 HG SER A 93 8.040 -0.860 6.938 1.00 0.00 H new ATOM 1495 N LEU A 94 5.264 0.282 2.455 1.00 0.00 N ATOM 1496 CA LEU A 94 4.963 -0.080 1.074 1.00 0.00 C ATOM 1497 C LEU A 94 5.963 0.554 0.113 1.00 0.00 C ATOM 1498 O LEU A 94 6.580 1.573 0.427 1.00 0.00 O ATOM 1499 CB LEU A 94 3.542 0.355 0.710 1.00 0.00 C ATOM 1500 CG LEU A 94 2.436 -0.098 1.664 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.107 0.533 1.278 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.326 -1.616 1.670 1.00 0.00 C ATOM 0 H LEU A 94 5.423 1.278 2.605 1.00 0.00 H new ATOM 0 HA LEU A 94 5.039 -1.164 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.520 1.443 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.312 -0.022 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 94 2.693 0.232 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.332 0.199 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.192 1.619 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.843 0.234 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.534 -1.921 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.093 -1.968 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.272 -2.048 1.995 1.00 0.00 H new ATOM 1514 N CYS A 95 6.118 -0.054 -1.058 1.00 0.00 N ATOM 1515 CA CYS A 95 7.043 0.453 -2.065 1.00 0.00 C ATOM 1516 C CYS A 95 6.456 0.305 -3.465 1.00 0.00 C ATOM 1517 O CYS A 95 5.953 -0.757 -3.829 1.00 0.00 O ATOM 1518 CB CYS A 95 8.379 -0.287 -1.979 1.00 0.00 C ATOM 1519 SG CYS A 95 9.597 0.244 -3.205 1.00 0.00 S ATOM 0 H CYS A 95 5.616 -0.898 -1.333 1.00 0.00 H new ATOM 0 HA CYS A 95 7.209 1.512 -1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.797 -0.145 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.199 -1.355 -2.100 1.00 0.00 H new ATOM 0 HG CYS A 95 8.984 0.664 -4.272 1.00 0.00 H new ATOM 1525 N ALA A 96 6.523 1.379 -4.246 1.00 0.00 N ATOM 1526 CA ALA A 96 5.999 1.369 -5.606 1.00 0.00 C ATOM 1527 C ALA A 96 7.098 1.059 -6.616 1.00 0.00 C ATOM 1528 O ALA A 96 8.274 1.323 -6.367 1.00 0.00 O ATOM 1529 CB ALA A 96 5.343 2.704 -5.928 1.00 0.00 C ATOM 0 H ALA A 96 6.935 2.267 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 96 5.248 0.582 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.956 2.683 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.524 2.884 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.079 3.503 -5.836 1.00 0.00 H new ATOM 1535 N GLU A 97 6.708 0.497 -7.755 1.00 0.00 N ATOM 1536 CA GLU A 97 7.662 0.150 -8.802 1.00 0.00 C ATOM 1537 C GLU A 97 8.537 1.348 -9.159 1.00 0.00 C ATOM 1538 O GLU A 97 9.764 1.263 -9.135 1.00 0.00 O ATOM 1539 CB GLU A 97 6.927 -0.349 -10.048 1.00 0.00 C ATOM 1540 CG GLU A 97 7.837 -0.564 -11.245 1.00 0.00 C ATOM 1541 CD GLU A 97 7.115 -1.192 -12.422 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.526 -0.440 -13.226 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.139 -2.435 -12.537 1.00 0.00 O ATOM 0 H GLU A 97 5.738 0.272 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 97 8.303 -0.647 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.424 -1.287 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.153 0.370 -10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.260 0.393 -11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.671 -1.202 -10.953 1.00 0.00 H new ATOM 1550 N SER A 98 7.895 2.464 -9.491 1.00 0.00 N ATOM 1551 CA SER A 98 8.613 3.679 -9.858 1.00 0.00 C ATOM 1552 C SER A 98 7.932 4.911 -9.271 1.00 0.00 C ATOM 1553 O SER A 98 6.772 4.859 -8.862 1.00 0.00 O ATOM 1554 CB SER A 98 8.699 3.806 -11.380 1.00 0.00 C ATOM 1555 OG SER A 98 7.409 3.934 -11.954 1.00 0.00 O ATOM 0 H SER A 98 6.879 2.552 -9.513 1.00 0.00 H new ATOM 0 HA SER A 98 9.621 3.613 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.305 4.673 -11.642 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.200 2.931 -11.794 1.00 0.00 H new ATOM 0 HG SER A 98 7.491 4.015 -12.927 1.00 0.00 H new ATOM 1561 N THR A 99 8.663 6.021 -9.232 1.00 0.00 N ATOM 1562 CA THR A 99 8.131 7.267 -8.694 1.00 0.00 C ATOM 1563 C THR A 99 6.710 7.517 -9.186 1.00 0.00 C ATOM 1564 O THR A 99 5.826 7.869 -8.405 1.00 0.00 O ATOM 1565 CB THR A 99 9.015 8.468 -9.081 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.398 8.108 -8.991 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.736 9.659 -8.177 1.00 0.00 C ATOM 0 H THR A 99 9.625 6.082 -9.566 1.00 0.00 H new ATOM 0 HA THR A 99 8.123 7.165 -7.609 1.00 0.00 H new ATOM 0 HB THR A 99 8.779 8.748 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.953 8.876 -9.240 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.372 10.495 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.690 9.949 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.946 9.388 -7.142 1.00 0.00 H new ATOM 1575 N ASP A 100 6.498 7.332 -10.484 1.00 0.00 N ATOM 1576 CA ASP A 100 5.182 7.535 -11.080 1.00 0.00 C ATOM 1577 C ASP A 100 4.124 6.708 -10.356 1.00 0.00 C ATOM 1578 O ASP A 100 3.045 7.206 -10.035 1.00 0.00 O ATOM 1579 CB ASP A 100 5.209 7.167 -12.564 1.00 0.00 C ATOM 1580 CG ASP A 100 5.863 8.238 -13.415 1.00 0.00 C ATOM 1581 OD1 ASP A 100 5.644 9.435 -13.133 1.00 0.00 O ATOM 1582 OD2 ASP A 100 6.593 7.880 -14.362 1.00 0.00 O ATOM 0 H ASP A 100 7.220 7.042 -11.144 1.00 0.00 H new ATOM 0 HA ASP A 100 4.923 8.589 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.746 6.227 -12.692 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.190 7.002 -12.913 1.00 0.00 H new ATOM 1587 N ASP A 101 4.440 5.442 -10.105 1.00 0.00 N ATOM 1588 CA ASP A 101 3.517 4.546 -9.420 1.00 0.00 C ATOM 1589 C ASP A 101 3.210 5.052 -8.014 1.00 0.00 C ATOM 1590 O ASP A 101 2.052 5.087 -7.596 1.00 0.00 O ATOM 1591 CB ASP A 101 4.101 3.134 -9.350 1.00 0.00 C ATOM 1592 CG ASP A 101 3.807 2.323 -10.598 1.00 0.00 C ATOM 1593 OD1 ASP A 101 4.491 2.538 -11.620 1.00 0.00 O ATOM 1594 OD2 ASP A 101 2.893 1.474 -10.551 1.00 0.00 O ATOM 0 H ASP A 101 5.328 5.014 -10.366 1.00 0.00 H new ATOM 0 HA ASP A 101 2.587 4.519 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.180 3.197 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.694 2.618 -8.481 1.00 0.00 H new ATOM 1599 N CYS A 102 4.253 5.442 -7.290 1.00 0.00 N ATOM 1600 CA CYS A 102 4.095 5.945 -5.930 1.00 0.00 C ATOM 1601 C CYS A 102 3.149 7.140 -5.899 1.00 0.00 C ATOM 1602 O CYS A 102 2.219 7.189 -5.093 1.00 0.00 O ATOM 1603 CB CYS A 102 5.454 6.339 -5.349 1.00 0.00 C ATOM 1604 SG CYS A 102 5.399 6.824 -3.608 1.00 0.00 S ATOM 0 H CYS A 102 5.217 5.420 -7.622 1.00 0.00 H new ATOM 0 HA CYS A 102 3.665 5.149 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.142 5.501 -5.460 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.861 7.165 -5.933 1.00 0.00 H new ATOM 0 HG CYS A 102 6.418 6.313 -2.983 1.00 0.00 H new ATOM 1610 N LEU A 103 3.392 8.104 -6.781 1.00 0.00 N ATOM 1611 CA LEU A 103 2.562 9.302 -6.854 1.00 0.00 C ATOM 1612 C LEU A 103 1.097 8.937 -7.069 1.00 0.00 C ATOM 1613 O LEU A 103 0.209 9.480 -6.413 1.00 0.00 O ATOM 1614 CB LEU A 103 3.045 10.212 -7.984 1.00 0.00 C ATOM 1615 CG LEU A 103 4.216 11.136 -7.649 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.793 11.748 -8.916 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.775 12.225 -6.682 1.00 0.00 C ATOM 0 H LEU A 103 4.157 8.079 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 103 2.649 9.833 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.332 9.587 -8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.206 10.826 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 103 4.995 10.544 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.625 12.403 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.146 10.955 -9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.022 12.326 -9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.621 12.874 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.978 12.814 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.410 11.769 -5.762 1.00 0.00 H new ATOM 1629 N ALA A 104 0.853 8.011 -7.991 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.504 7.571 -8.290 1.00 0.00 C ATOM 1631 C ALA A 104 -1.207 7.068 -7.034 1.00 0.00 C ATOM 1632 O ALA A 104 -2.271 7.565 -6.665 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.484 6.485 -9.356 1.00 0.00 C ATOM 0 H ALA A 104 1.577 7.552 -8.543 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.062 8.427 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.504 6.166 -9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.028 6.876 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.095 5.634 -8.998 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.607 6.079 -6.381 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.176 5.508 -5.166 1.00 0.00 C ATOM 1641 C TRP A 105 -1.432 6.591 -4.124 1.00 0.00 C ATOM 1642 O TRP A 105 -2.503 6.644 -3.519 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.242 4.442 -4.592 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.516 3.066 -5.120 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.329 2.288 -5.858 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.718 2.307 -4.950 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.276 1.091 -6.158 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.532 1.077 -5.611 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -2.933 2.545 -4.301 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.515 0.092 -5.643 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -3.908 1.566 -4.334 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.695 0.352 -5.000 1.00 0.00 C ATOM 0 H TRP A 105 0.274 5.656 -6.673 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.129 5.045 -5.424 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.789 4.712 -4.819 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.337 4.432 -3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.326 2.571 -6.161 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.142 0.335 -6.700 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.107 3.477 -3.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.352 -0.844 -6.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.851 1.740 -3.837 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.477 -0.393 -5.006 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.444 7.455 -3.920 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.562 8.539 -2.951 1.00 0.00 C ATOM 1665 C LYS A 106 -1.773 9.414 -3.260 1.00 0.00 C ATOM 1666 O LYS A 106 -2.601 9.675 -2.387 1.00 0.00 O ATOM 1667 CB LYS A 106 0.709 9.391 -2.951 1.00 0.00 C ATOM 1668 CG LYS A 106 0.531 10.750 -2.297 1.00 0.00 C ATOM 1669 CD LYS A 106 1.868 11.383 -1.953 1.00 0.00 C ATOM 1670 CE LYS A 106 1.688 12.690 -1.195 1.00 0.00 C ATOM 1671 NZ LYS A 106 2.909 13.060 -0.428 1.00 0.00 N ATOM 0 H LYS A 106 0.448 7.426 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.696 8.098 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.500 8.849 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.041 9.533 -3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.022 11.408 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.066 10.643 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.456 10.690 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.431 11.567 -2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.446 13.487 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.844 12.600 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.640 13.352 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.547 12.241 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.394 13.846 -0.905 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.870 9.863 -4.507 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.980 10.708 -4.930 1.00 0.00 C ATOM 1687 C PHE A 107 -4.318 10.035 -4.640 1.00 0.00 C ATOM 1688 O PHE A 107 -5.254 10.670 -4.151 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.869 11.024 -6.423 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.718 11.928 -6.760 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.482 13.076 -6.020 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.872 11.631 -7.817 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.424 13.910 -6.329 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.187 12.461 -8.130 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.412 13.602 -7.385 1.00 0.00 C ATOM 0 H PHE A 107 -1.194 9.656 -5.242 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.931 11.638 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.762 10.091 -6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.796 11.489 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.132 13.321 -5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.043 10.740 -8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.251 14.802 -5.745 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.838 12.218 -8.956 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.240 14.252 -7.627 1.00 0.00 H new ATOM 1705 N THR A 108 -4.403 8.744 -4.945 1.00 0.00 N ATOM 1706 CA THR A 108 -5.626 7.983 -4.719 1.00 0.00 C ATOM 1707 C THR A 108 -5.921 7.847 -3.230 1.00 0.00 C ATOM 1708 O THR A 108 -7.060 8.018 -2.795 1.00 0.00 O ATOM 1709 CB THR A 108 -5.537 6.578 -5.345 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.328 6.683 -6.757 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.805 5.784 -5.073 1.00 0.00 C ATOM 0 H THR A 108 -3.639 8.203 -5.350 1.00 0.00 H new ATOM 0 HA THR A 108 -6.435 8.535 -5.198 1.00 0.00 H new ATOM 0 HB THR A 108 -4.695 6.055 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.404 6.958 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.719 4.796 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.946 5.681 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.660 6.306 -5.502 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.889 7.538 -2.453 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.038 7.379 -1.011 1.00 0.00 C ATOM 1721 C LEU A 109 -5.517 8.676 -0.367 1.00 0.00 C ATOM 1722 O LEU A 109 -6.468 8.677 0.415 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.710 6.947 -0.386 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.181 5.578 -0.815 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.678 5.494 -0.596 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -3.895 4.468 -0.057 1.00 0.00 C ATOM 0 H LEU A 109 -3.940 7.393 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.786 6.607 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.957 7.697 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.824 6.947 0.698 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.380 5.450 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.319 4.513 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.181 6.265 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.455 5.644 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.505 3.501 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.728 4.592 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.964 4.515 -0.265 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.854 9.778 -0.702 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.214 11.082 -0.157 1.00 0.00 C ATOM 1740 C GLN A 110 -6.715 11.324 -0.273 1.00 0.00 C ATOM 1741 O GLN A 110 -7.369 11.709 0.697 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.449 12.190 -0.882 1.00 0.00 C ATOM 1743 CG GLN A 110 -3.028 12.381 -0.374 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.433 13.710 -0.793 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -2.350 14.020 -1.982 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -2.014 14.505 0.185 1.00 0.00 N ATOM 0 H GLN A 110 -4.065 9.794 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.943 11.094 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.418 11.961 -1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.994 13.128 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.023 12.312 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.401 11.572 -0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.102 14.208 1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.604 15.413 -0.036 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.255 11.098 -1.465 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.680 11.291 -1.708 1.00 0.00 C ATOM 1757 C ASP A 111 -9.513 10.368 -0.823 1.00 0.00 C ATOM 1758 O ASP A 111 -10.354 10.826 -0.050 1.00 0.00 O ATOM 1759 CB ASP A 111 -9.007 11.037 -3.180 1.00 0.00 C ATOM 1760 CG ASP A 111 -10.264 11.759 -3.627 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -10.202 12.991 -3.826 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -11.309 11.092 -3.778 1.00 0.00 O ATOM 0 H ASP A 111 -6.728 10.781 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.928 12.323 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.168 11.359 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.129 9.966 -3.342 1.00 0.00 H new ATOM 1767 N SER A 112 -9.273 9.066 -0.944 1.00 0.00 N ATOM 1768 CA SER A 112 -10.004 8.078 -0.159 1.00 0.00 C ATOM 1769 C SER A 112 -10.312 8.614 1.236 1.00 0.00 C ATOM 1770 O SER A 112 -11.362 8.320 1.808 1.00 0.00 O ATOM 1771 CB SER A 112 -9.198 6.782 -0.053 1.00 0.00 C ATOM 1772 OG SER A 112 -8.538 6.491 -1.273 1.00 0.00 O ATOM 0 H SER A 112 -8.578 8.671 -1.578 1.00 0.00 H new ATOM 0 HA SER A 112 -10.946 7.871 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 112 -8.465 6.871 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.861 5.958 0.211 1.00 0.00 H new ATOM 0 HG SER A 112 -7.778 7.100 -1.387 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.389 9.401 1.779 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.561 9.977 3.107 1.00 0.00 C ATOM 1780 C ARG A 113 -10.862 10.769 3.192 1.00 0.00 C ATOM 1781 O ARG A 113 -11.711 10.501 4.043 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.376 10.882 3.451 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.033 10.173 3.399 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.879 11.162 3.454 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.892 11.951 4.683 1.00 0.00 N ATOM 1786 CZ ARG A 113 -5.081 12.979 4.905 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -4.198 13.342 3.985 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -5.153 13.648 6.049 1.00 0.00 N ATOM 0 H ARG A 113 -8.514 9.654 1.320 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.606 9.160 3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.360 11.724 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.522 11.293 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.956 9.475 4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -6.966 9.584 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.935 10.622 3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.933 11.830 2.594 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.561 11.699 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.140 12.831 3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.576 14.132 4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.832 13.373 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.530 14.437 6.218 1.00 0.00 H new