USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HEMFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD Set 1.1: A 64 MET CE :methyl -163:sc= -0.835 (180deg=-0.427) USER MOD Set 1.2: A 104 HEM CMA :methyl 150:sc= -1.02 (180deg=-0.914) USER MOD Set 2.1: A 63 ASN : amide:sc= 1.7 K(o=1.8,f=-0.98) USER MOD Set 2.2: A 74 TYR OH : rot -170:sc= 0.0492 USER MOD Set 3.1: A 40 SER OG : rot 96:sc= 1.75 USER MOD Set 3.2: A 52 ASN : amide:sc= 0.67 K(o=2.4,f=-6.4!) USER MOD Set 4.1: A 19 THR OG1 : rot 164:sc= 1.08 USER MOD Set 4.2: A 31 ASN : amide:sc= 2.87 K(o=3.9,f=-6.5!) USER MOD Set 5.1: A -2 LYS NZ :NH3+ 177:sc= 2.4 (180deg=1.97) USER MOD Set 5.2: A 92 ASN : amide:sc= 0.919 K(o=3.3,f=-11!) USER MOD Single : A 2 SER OG : rot -73:sc= 1.08 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -5 THR N :NH3+ -137:sc= 1.25 (180deg=-0.825!) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.843) USER MOD Single : A 12 THR OG1 : rot -74:sc= 1.2 USER MOD Single : A 16 GLN : amide:sc= 1.14 K(o=1.1,f=-0.6) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 2.16 (180deg=0.673) USER MOD Single : A 33 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-1.8!) USER MOD Single : A 39 GLN : amide:sc= -0.0535 X(o=-0.053,f=0) USER MOD Single : A 42 GLN : amide:sc= 1.4 K(o=1.4,f=-4.4!) USER MOD Single : A 46 TYR OH : rot -158:sc= 1.24 USER MOD Single : A 47 SER OG : rot 49:sc= 0.451 USER MOD Single : A 48 TYR OH : rot -12:sc= 2.04 USER MOD Single : A 49 THR OG1 : rot -126:sc= 1.44 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.844) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.021 X(o=0.021,f=-0.22) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 84:sc= 1.17 USER MOD Single : A 67 TYR OH : rot 167:sc= 0.253 USER MOD Single : A 69 THR OG1 : rot -49:sc= 0.513 USER MOD Single : A 70 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.5) USER MOD Single : A 73 LYS NZ :NH3+ -120:sc= 0.961 (180deg=-1.13!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0342) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0.904 (180deg=0.729) USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.03) USER MOD Single : A 96 THR OG1 : rot 74:sc= 2.18 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00781) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -130:sc= 0.41 USER MOD Single : A 104 HEM CMB :methyl 150:sc= -0.301 (180deg=-0.301) USER MOD Single : A 104 HEM CMC :methyl 150:sc= -0.507 (180deg=-0.507) USER MOD Single : A 104 HEM CMD :methyl -30:sc= -0.708 (180deg=-4.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 1.032 -10.480 -20.781 1.00 0.00 N ATOM 2 CA THR A -5 0.568 -10.316 -19.397 1.00 0.00 C ATOM 3 C THR A -5 1.450 -9.291 -18.675 1.00 0.00 C ATOM 4 O THR A -5 2.539 -9.628 -18.218 1.00 0.00 O ATOM 5 CB THR A -5 0.632 -11.697 -18.731 1.00 0.00 C ATOM 6 OG1 THR A -5 1.673 -12.426 -19.368 1.00 0.00 O ATOM 7 CG2 THR A -5 -0.675 -12.468 -18.932 1.00 0.00 C ATOM 0 H1 THR A -5 0.213 -10.509 -21.421 1.00 0.00 H new ATOM 0 H2 THR A -5 1.645 -9.680 -21.039 1.00 0.00 H new ATOM 0 H3 THR A -5 1.568 -11.368 -20.865 1.00 0.00 H new ATOM 0 HA THR A -5 -0.454 -9.940 -19.356 1.00 0.00 H new ATOM 0 HB THR A -5 0.804 -11.574 -17.662 1.00 0.00 H new ATOM 0 HG1 THR A -5 1.743 -13.316 -18.964 1.00 0.00 H new ATOM 0 HG21 THR A -5 -0.600 -13.443 -18.450 1.00 0.00 H new ATOM 0 HG22 THR A -5 -1.500 -11.907 -18.492 1.00 0.00 H new ATOM 0 HG23 THR A -5 -0.857 -12.604 -19.998 1.00 0.00 H new ATOM 8 N GLU A -4 0.993 -8.040 -18.623 1.00 0.00 N ATOM 9 CA GLU A -4 1.799 -6.872 -18.310 1.00 0.00 C ATOM 10 C GLU A -4 0.975 -5.875 -17.490 1.00 0.00 C ATOM 11 O GLU A -4 -0.253 -5.872 -17.555 1.00 0.00 O ATOM 12 CB GLU A -4 2.339 -6.257 -19.619 1.00 0.00 C ATOM 13 CG GLU A -4 1.307 -6.106 -20.757 1.00 0.00 C ATOM 14 CD GLU A -4 0.874 -7.447 -21.331 1.00 0.00 C ATOM 15 OE1 GLU A -4 1.737 -8.158 -21.889 1.00 0.00 O ATOM 16 OE2 GLU A -4 -0.249 -7.891 -21.009 1.00 0.00 O ATOM 0 H GLU A -4 0.016 -7.810 -18.805 1.00 0.00 H new ATOM 0 HA GLU A -4 2.657 -7.156 -17.700 1.00 0.00 H new ATOM 0 HB2 GLU A -4 2.753 -5.274 -19.395 1.00 0.00 H new ATOM 0 HB3 GLU A -4 3.162 -6.875 -19.978 1.00 0.00 H new ATOM 0 HG2 GLU A -4 0.432 -5.575 -20.382 1.00 0.00 H new ATOM 0 HG3 GLU A -4 1.734 -5.495 -21.552 1.00 0.00 H new ATOM 17 N PHE A -3 1.662 -5.044 -16.698 1.00 0.00 N ATOM 18 CA PHE A -3 1.025 -4.051 -15.841 1.00 0.00 C ATOM 19 C PHE A -3 0.262 -3.036 -16.692 1.00 0.00 C ATOM 20 O PHE A -3 0.851 -2.371 -17.544 1.00 0.00 O ATOM 21 CB PHE A -3 2.068 -3.360 -14.953 1.00 0.00 C ATOM 22 CG PHE A -3 1.590 -2.086 -14.273 1.00 0.00 C ATOM 23 CD1 PHE A -3 0.587 -2.131 -13.285 1.00 0.00 C ATOM 24 CD2 PHE A -3 2.065 -0.837 -14.719 1.00 0.00 C ATOM 25 CE1 PHE A -3 0.069 -0.946 -12.744 1.00 0.00 C ATOM 26 CE2 PHE A -3 1.571 0.349 -14.151 1.00 0.00 C ATOM 27 CZ PHE A -3 0.577 0.291 -13.162 1.00 0.00 C ATOM 0 H PHE A -3 2.680 -5.045 -16.637 1.00 0.00 H new ATOM 0 HA PHE A -3 0.311 -4.552 -15.187 1.00 0.00 H new ATOM 0 HB2 PHE A -3 2.394 -4.063 -14.186 1.00 0.00 H new ATOM 0 HB3 PHE A -3 2.942 -3.124 -15.561 1.00 0.00 H new ATOM 0 HD1 PHE A -3 0.215 -3.085 -12.942 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.810 -0.791 -15.499 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -0.719 -0.986 -12.007 1.00 0.00 H new ATOM 0 HE2 PHE A -3 1.956 1.305 -14.475 1.00 0.00 H new ATOM 0 HZ PHE A -3 0.202 1.203 -12.722 1.00 0.00 H new ATOM 28 N LYS A -2 -1.041 -2.913 -16.441 1.00 0.00 N ATOM 29 CA LYS A -2 -1.899 -1.951 -17.113 1.00 0.00 C ATOM 30 C LYS A -2 -1.840 -0.614 -16.374 1.00 0.00 C ATOM 31 O LYS A -2 -2.392 -0.461 -15.286 1.00 0.00 O ATOM 32 CB LYS A -2 -3.330 -2.480 -17.245 1.00 0.00 C ATOM 33 CG LYS A -2 -3.822 -3.231 -16.000 1.00 0.00 C ATOM 34 CD LYS A -2 -5.304 -3.585 -16.135 1.00 0.00 C ATOM 35 CE LYS A -2 -5.756 -4.479 -14.972 1.00 0.00 C ATOM 36 NZ LYS A -2 -5.693 -3.782 -13.671 1.00 0.00 N ATOM 0 H LYS A -2 -1.532 -3.488 -15.756 1.00 0.00 H new ATOM 0 HA LYS A -2 -1.538 -1.794 -18.129 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -4.001 -1.644 -17.444 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -3.385 -3.146 -18.106 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -3.237 -4.140 -15.862 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -3.669 -2.616 -15.113 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -5.901 -2.673 -16.153 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -5.476 -4.097 -17.082 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -6.777 -4.816 -15.152 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -5.128 -5.369 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -6.055 -4.408 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -4.707 -3.527 -13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -6.273 -2.919 -13.711 1.00 0.00 H new ATOM 37 N ALA A -1 -1.163 0.355 -16.984 1.00 0.00 N ATOM 38 CA ALA A -1 -0.938 1.660 -16.388 1.00 0.00 C ATOM 39 C ALA A -1 -2.145 2.573 -16.599 1.00 0.00 C ATOM 40 O ALA A -1 -2.696 2.641 -17.696 1.00 0.00 O ATOM 41 CB ALA A -1 0.330 2.287 -16.970 1.00 0.00 C ATOM 0 H ALA A -1 -0.754 0.252 -17.913 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.804 1.534 -15.314 1.00 0.00 H new ATOM 0 HB1 ALA A -1 0.492 3.266 -16.518 1.00 0.00 H new ATOM 0 HB2 ALA A -1 1.184 1.644 -16.759 1.00 0.00 H new ATOM 0 HB3 ALA A -1 0.218 2.399 -18.048 1.00 0.00 H new ATOM 42 N GLY A 1 -2.525 3.293 -15.545 1.00 0.00 N ATOM 43 CA GLY A 1 -3.411 4.438 -15.601 1.00 0.00 C ATOM 44 C GLY A 1 -2.602 5.694 -15.929 1.00 0.00 C ATOM 45 O GLY A 1 -1.484 5.620 -16.440 1.00 0.00 O ATOM 0 H GLY A 1 -2.209 3.082 -14.598 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.180 4.280 -16.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.924 4.562 -14.647 1.00 0.00 H new ATOM 46 N SER A 2 -3.148 6.866 -15.623 1.00 0.00 N ATOM 47 CA SER A 2 -2.698 8.138 -16.175 1.00 0.00 C ATOM 48 C SER A 2 -1.521 8.772 -15.416 1.00 0.00 C ATOM 49 O SER A 2 -1.314 9.982 -15.520 1.00 0.00 O ATOM 50 CB SER A 2 -3.912 9.071 -16.267 1.00 0.00 C ATOM 51 OG SER A 2 -4.519 9.272 -15.005 1.00 0.00 O ATOM 0 H SER A 2 -3.929 6.960 -14.973 1.00 0.00 H new ATOM 0 HA SER A 2 -2.289 7.957 -17.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.601 10.032 -16.678 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.642 8.650 -16.958 1.00 0.00 H new ATOM 0 HG SER A 2 -5.002 8.461 -14.742 1.00 0.00 H new ATOM 52 N ALA A 3 -0.726 7.967 -14.698 1.00 0.00 N ATOM 53 CA ALA A 3 0.415 8.368 -13.869 1.00 0.00 C ATOM 54 C ALA A 3 0.022 9.283 -12.714 1.00 0.00 C ATOM 55 O ALA A 3 0.138 8.899 -11.554 1.00 0.00 O ATOM 56 CB ALA A 3 1.537 8.992 -14.702 1.00 0.00 C ATOM 0 H ALA A 3 -0.873 6.958 -14.681 1.00 0.00 H new ATOM 0 HA ALA A 3 0.795 7.447 -13.427 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.362 9.274 -14.048 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.889 8.269 -15.438 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.161 9.878 -15.214 1.00 0.00 H new ATOM 57 N LYS A 4 -0.432 10.496 -13.026 1.00 0.00 N ATOM 58 CA LYS A 4 -1.157 11.317 -12.076 1.00 0.00 C ATOM 59 C LYS A 4 -2.567 10.725 -11.909 1.00 0.00 C ATOM 60 O LYS A 4 -2.768 9.555 -12.219 1.00 0.00 O ATOM 61 CB LYS A 4 -1.112 12.793 -12.510 1.00 0.00 C ATOM 62 CG LYS A 4 -1.758 13.078 -13.875 1.00 0.00 C ATOM 63 CD LYS A 4 -1.525 14.549 -14.246 1.00 0.00 C ATOM 64 CE LYS A 4 -2.137 14.867 -15.619 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.849 16.252 -16.050 1.00 0.00 N ATOM 0 H LYS A 4 -0.305 10.929 -13.941 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.695 11.308 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.613 13.396 -11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.072 13.118 -12.540 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.330 12.426 -14.637 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.826 12.865 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.967 15.195 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.456 14.760 -14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.747 14.169 -16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.216 14.718 -15.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.281 16.423 -16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.243 16.920 -15.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.820 16.388 -16.115 1.00 0.00 H new ATOM 66 N LYS A 5 -3.531 11.496 -11.387 1.00 0.00 N ATOM 67 CA LYS A 5 -4.913 11.083 -11.115 1.00 0.00 C ATOM 68 C LYS A 5 -4.938 10.216 -9.855 1.00 0.00 C ATOM 69 O LYS A 5 -5.592 10.548 -8.868 1.00 0.00 O ATOM 70 CB LYS A 5 -5.541 10.371 -12.328 1.00 0.00 C ATOM 71 CG LYS A 5 -7.060 10.171 -12.256 1.00 0.00 C ATOM 72 CD LYS A 5 -7.821 11.408 -12.748 1.00 0.00 C ATOM 73 CE LYS A 5 -9.324 11.101 -12.799 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.097 12.194 -13.425 1.00 0.00 N ATOM 0 H LYS A 5 -3.360 12.469 -11.132 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.525 11.967 -10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.309 10.944 -13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.068 9.396 -12.441 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.342 9.307 -12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.349 9.951 -11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.634 12.251 -12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.465 11.697 -13.737 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.486 10.179 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.693 10.931 -11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.106 11.943 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.965 13.069 -12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.765 12.340 -14.400 1.00 0.00 H new ATOM 75 N GLY A 6 -4.148 9.144 -9.872 1.00 0.00 N ATOM 76 CA GLY A 6 -3.894 8.274 -8.739 1.00 0.00 C ATOM 77 C GLY A 6 -3.444 9.068 -7.517 1.00 0.00 C ATOM 78 O GLY A 6 -3.755 8.700 -6.388 1.00 0.00 O ATOM 0 H GLY A 6 -3.650 8.851 -10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.798 7.714 -8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.128 7.545 -9.003 1.00 0.00 H new ATOM 79 N ALA A 7 -2.748 10.187 -7.746 1.00 0.00 N ATOM 80 CA ALA A 7 -2.398 11.148 -6.714 1.00 0.00 C ATOM 81 C ALA A 7 -3.629 11.531 -5.895 1.00 0.00 C ATOM 82 O ALA A 7 -3.590 11.518 -4.669 1.00 0.00 O ATOM 83 CB ALA A 7 -1.775 12.387 -7.363 1.00 0.00 C ATOM 0 H ALA A 7 -2.410 10.448 -8.672 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.673 10.697 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.512 13.109 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.878 12.099 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.491 12.837 -8.051 1.00 0.00 H new ATOM 84 N THR A 8 -4.731 11.865 -6.563 1.00 0.00 N ATOM 85 CA THR A 8 -5.946 12.308 -5.905 1.00 0.00 C ATOM 86 C THR A 8 -6.525 11.172 -5.060 1.00 0.00 C ATOM 87 O THR A 8 -6.927 11.382 -3.916 1.00 0.00 O ATOM 88 CB THR A 8 -6.932 12.792 -6.975 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.255 13.678 -7.847 1.00 0.00 O ATOM 90 CG2 THR A 8 -8.131 13.518 -6.356 1.00 0.00 C ATOM 0 H THR A 8 -4.801 11.834 -7.580 1.00 0.00 H new ATOM 0 HA THR A 8 -5.738 13.136 -5.228 1.00 0.00 H new ATOM 0 HB THR A 8 -7.308 11.922 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.874 13.994 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.806 13.845 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.659 12.841 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.782 14.385 -5.795 1.00 0.00 H new ATOM 91 N LEU A 9 -6.554 9.959 -5.613 1.00 0.00 N ATOM 92 CA LEU A 9 -7.073 8.790 -4.940 1.00 0.00 C ATOM 93 C LEU A 9 -6.239 8.523 -3.689 1.00 0.00 C ATOM 94 O LEU A 9 -6.781 8.420 -2.592 1.00 0.00 O ATOM 95 CB LEU A 9 -7.039 7.616 -5.926 1.00 0.00 C ATOM 96 CG LEU A 9 -8.351 7.377 -6.690 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.468 6.876 -5.764 1.00 0.00 C ATOM 98 CD2 LEU A 9 -8.803 8.619 -7.466 1.00 0.00 C ATOM 0 H LEU A 9 -6.211 9.769 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.104 8.936 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.241 7.789 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.783 6.708 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.144 6.593 -7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.378 6.720 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.165 5.936 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.656 7.617 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.734 8.402 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.961 9.444 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.036 8.895 -8.189 1.00 0.00 H new ATOM 99 N PHE A 10 -4.914 8.470 -3.848 1.00 0.00 N ATOM 100 CA PHE A 10 -3.983 8.373 -2.735 1.00 0.00 C ATOM 101 C PHE A 10 -4.337 9.417 -1.677 1.00 0.00 C ATOM 102 O PHE A 10 -4.600 9.081 -0.521 1.00 0.00 O ATOM 103 CB PHE A 10 -2.540 8.537 -3.230 1.00 0.00 C ATOM 104 CG PHE A 10 -1.512 8.368 -2.132 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.157 7.073 -1.722 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.073 9.481 -1.389 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.418 6.886 -0.540 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.356 9.293 -0.194 1.00 0.00 C ATOM 109 CZ PHE A 10 -0.072 7.991 0.255 1.00 0.00 C ATOM 0 H PHE A 10 -4.460 8.494 -4.761 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.062 7.386 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.347 7.807 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.426 9.524 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.452 6.220 -2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.287 10.480 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.116 5.892 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.024 10.147 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.411 7.841 1.209 1.00 0.00 H new ATOM 110 N LYS A 11 -4.393 10.683 -2.101 1.00 0.00 N ATOM 111 CA LYS A 11 -4.652 11.818 -1.230 1.00 0.00 C ATOM 112 C LYS A 11 -5.989 11.700 -0.487 1.00 0.00 C ATOM 113 O LYS A 11 -6.095 12.194 0.632 1.00 0.00 O ATOM 114 CB LYS A 11 -4.518 13.133 -2.009 1.00 0.00 C ATOM 115 CG LYS A 11 -3.034 13.412 -2.308 1.00 0.00 C ATOM 116 CD LYS A 11 -2.779 14.538 -3.319 1.00 0.00 C ATOM 117 CE LYS A 11 -3.026 15.942 -2.748 1.00 0.00 C ATOM 118 NZ LYS A 11 -4.453 16.322 -2.741 1.00 0.00 N ATOM 0 H LYS A 11 -4.256 10.945 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.892 11.819 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.081 13.074 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.943 13.954 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.531 13.662 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.576 12.497 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.749 14.473 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.422 14.389 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.639 15.987 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.465 16.670 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.541 17.344 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.955 15.800 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.869 16.091 -1.816 1.00 0.00 H new ATOM 119 N THR A 12 -7.000 11.071 -1.091 1.00 0.00 N ATOM 120 CA THR A 12 -8.325 10.946 -0.488 1.00 0.00 C ATOM 121 C THR A 12 -8.577 9.587 0.182 1.00 0.00 C ATOM 122 O THR A 12 -9.623 9.429 0.810 1.00 0.00 O ATOM 123 CB THR A 12 -9.407 11.282 -1.526 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.247 10.507 -2.695 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.355 12.767 -1.904 1.00 0.00 C ATOM 0 H THR A 12 -6.921 10.635 -2.010 1.00 0.00 H new ATOM 0 HA THR A 12 -8.373 11.670 0.325 1.00 0.00 H new ATOM 0 HB THR A 12 -10.372 11.054 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.478 10.838 -3.204 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.130 12.982 -2.640 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.520 13.375 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.378 13.001 -2.327 1.00 0.00 H new ATOM 126 N ARG A 13 -7.667 8.608 0.071 1.00 0.00 N ATOM 127 CA ARG A 13 -7.883 7.267 0.625 1.00 0.00 C ATOM 128 C ARG A 13 -6.729 6.798 1.501 1.00 0.00 C ATOM 129 O ARG A 13 -6.965 6.266 2.584 1.00 0.00 O ATOM 130 CB ARG A 13 -8.144 6.247 -0.492 1.00 0.00 C ATOM 131 CG ARG A 13 -9.450 6.597 -1.213 1.00 0.00 C ATOM 132 CD ARG A 13 -9.922 5.432 -2.089 1.00 0.00 C ATOM 133 NE ARG A 13 -11.264 5.687 -2.637 1.00 0.00 N ATOM 134 CZ ARG A 13 -12.411 5.581 -1.945 1.00 0.00 C ATOM 135 NH1 ARG A 13 -12.386 5.194 -0.663 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.579 5.862 -2.533 1.00 0.00 N ATOM 0 H ARG A 13 -6.770 8.723 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.765 7.337 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.315 6.247 -1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.206 5.242 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.220 6.841 -0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.303 7.484 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.216 5.278 -2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.935 4.514 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.328 5.965 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.496 4.980 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.257 5.113 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.601 6.158 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.448 5.781 -2.005 1.00 0.00 H new ATOM 137 N CYS A 14 -5.497 6.932 1.020 1.00 0.00 N ATOM 138 CA CYS A 14 -4.333 6.313 1.635 1.00 0.00 C ATOM 139 C CYS A 14 -3.661 7.331 2.559 1.00 0.00 C ATOM 140 O CYS A 14 -3.338 7.030 3.711 1.00 0.00 O ATOM 141 CB CYS A 14 -3.382 5.844 0.560 1.00 0.00 C ATOM 142 SG CYS A 14 -4.132 4.936 -0.834 1.00 0.00 S ATOM 0 H CYS A 14 -5.279 7.478 0.186 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.632 5.446 2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.859 6.713 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.631 5.204 1.022 1.00 0.00 H new ATOM 143 N LEU A 15 -3.477 8.552 2.041 1.00 0.00 N ATOM 144 CA LEU A 15 -2.739 9.649 2.656 1.00 0.00 C ATOM 145 C LEU A 15 -3.058 9.833 4.130 1.00 0.00 C ATOM 146 O LEU A 15 -2.159 10.119 4.914 1.00 0.00 O ATOM 147 CB LEU A 15 -3.018 10.938 1.874 1.00 0.00 C ATOM 148 CG LEU A 15 -2.502 12.223 2.550 1.00 0.00 C ATOM 149 CD1 LEU A 15 -1.991 13.217 1.503 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.597 12.937 3.361 1.00 0.00 C ATOM 0 H LEU A 15 -3.862 8.809 1.132 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.678 9.402 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.563 10.854 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.093 11.030 1.722 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.701 11.909 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.631 14.117 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.176 12.764 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.802 13.478 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.184 13.836 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.419 13.211 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.965 12.270 4.141 1.00 0.00 H new ATOM 151 N GLN A 16 -4.327 9.717 4.515 1.00 0.00 N ATOM 152 CA GLN A 16 -4.727 9.796 5.912 1.00 0.00 C ATOM 153 C GLN A 16 -3.788 8.955 6.791 1.00 0.00 C ATOM 154 O GLN A 16 -3.131 9.489 7.689 1.00 0.00 O ATOM 155 CB GLN A 16 -6.214 9.433 6.074 1.00 0.00 C ATOM 156 CG GLN A 16 -6.621 8.073 5.482 1.00 0.00 C ATOM 157 CD GLN A 16 -8.123 7.825 5.582 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.794 8.354 6.461 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.669 7.014 4.682 1.00 0.00 N ATOM 0 H GLN A 16 -5.101 9.566 3.868 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.629 10.825 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.460 9.438 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.815 10.211 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.316 8.028 4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.088 7.278 6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.087 6.587 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.670 6.819 4.712 1.00 0.00 H new ATOM 160 N CYS A 17 -3.660 7.667 6.469 1.00 0.00 N ATOM 161 CA CYS A 17 -2.968 6.678 7.282 1.00 0.00 C ATOM 162 C CYS A 17 -1.488 6.579 6.910 1.00 0.00 C ATOM 163 O CYS A 17 -0.656 6.277 7.772 1.00 0.00 O ATOM 164 CB CYS A 17 -3.618 5.331 7.104 1.00 0.00 C ATOM 165 SG CYS A 17 -5.254 5.251 7.899 1.00 0.00 S ATOM 0 H CYS A 17 -4.048 7.277 5.610 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.037 6.994 8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.721 5.116 6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.973 4.559 7.524 1.00 0.00 H new ATOM 166 N HIS A 18 -1.185 6.806 5.629 1.00 0.00 N ATOM 167 CA HIS A 18 0.113 6.580 5.006 1.00 0.00 C ATOM 168 C HIS A 18 0.816 7.867 4.584 1.00 0.00 C ATOM 169 O HIS A 18 0.323 8.980 4.787 1.00 0.00 O ATOM 170 CB HIS A 18 -0.107 5.691 3.776 1.00 0.00 C ATOM 171 CG HIS A 18 -0.296 4.258 4.153 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.728 3.373 4.360 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.465 3.555 4.136 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.196 2.148 4.439 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.136 2.208 4.314 1.00 0.00 N ATOM 0 H HIS A 18 -1.874 7.170 4.971 1.00 0.00 H new ATOM 0 HA HIS A 18 0.762 6.106 5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.981 6.041 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.748 5.781 3.105 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.718 3.606 4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.457 3.962 4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.761 1.239 4.583 1.00 0.00 H new ATOM 176 N THR A 19 1.979 7.667 3.966 1.00 0.00 N ATOM 177 CA THR A 19 2.764 8.625 3.215 1.00 0.00 C ATOM 178 C THR A 19 3.327 7.895 1.991 1.00 0.00 C ATOM 179 O THR A 19 3.532 6.680 2.028 1.00 0.00 O ATOM 180 CB THR A 19 3.898 9.168 4.090 1.00 0.00 C ATOM 181 OG1 THR A 19 4.546 8.082 4.727 1.00 0.00 O ATOM 182 CG2 THR A 19 3.340 10.105 5.165 1.00 0.00 C ATOM 0 H THR A 19 2.427 6.751 3.984 1.00 0.00 H new ATOM 0 HA THR A 19 2.153 9.471 2.901 1.00 0.00 H new ATOM 0 HB THR A 19 4.598 9.719 3.462 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.414 8.377 5.074 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.158 10.483 5.779 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.828 10.941 4.689 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.637 9.559 5.794 1.00 0.00 H new ATOM 183 N VAL A 20 3.541 8.636 0.902 1.00 0.00 N ATOM 184 CA VAL A 20 4.115 8.139 -0.344 1.00 0.00 C ATOM 185 C VAL A 20 5.458 8.819 -0.620 1.00 0.00 C ATOM 186 O VAL A 20 6.396 8.178 -1.080 1.00 0.00 O ATOM 187 CB VAL A 20 3.099 8.332 -1.480 1.00 0.00 C ATOM 188 CG1 VAL A 20 2.889 9.796 -1.889 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.473 7.489 -2.702 1.00 0.00 C ATOM 0 H VAL A 20 3.311 9.629 0.865 1.00 0.00 H new ATOM 0 HA VAL A 20 4.323 7.072 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 20 2.146 7.988 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.158 9.847 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.525 10.364 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.835 10.218 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.737 7.645 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.458 7.786 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.490 6.435 -2.425 1.00 0.00 H new ATOM 190 N GLU A 21 5.553 10.121 -0.338 1.00 0.00 N ATOM 191 CA GLU A 21 6.781 10.876 -0.502 1.00 0.00 C ATOM 192 C GLU A 21 7.767 10.471 0.595 1.00 0.00 C ATOM 193 O GLU A 21 7.358 10.099 1.695 1.00 0.00 O ATOM 194 CB GLU A 21 6.465 12.374 -0.436 1.00 0.00 C ATOM 195 CG GLU A 21 5.446 12.785 -1.508 1.00 0.00 C ATOM 196 CD GLU A 21 5.111 14.266 -1.404 1.00 0.00 C ATOM 197 OE1 GLU A 21 6.000 15.070 -1.752 1.00 0.00 O ATOM 198 OE2 GLU A 21 3.979 14.556 -0.961 1.00 0.00 O ATOM 0 H GLU A 21 4.772 10.676 0.012 1.00 0.00 H new ATOM 0 HA GLU A 21 7.233 10.663 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.075 12.621 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.383 12.946 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.847 12.568 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.537 12.194 -1.396 1.00 0.00 H new ATOM 199 N LYS A 22 9.065 10.554 0.304 1.00 0.00 N ATOM 200 CA LYS A 22 10.126 10.318 1.258 1.00 0.00 C ATOM 201 C LYS A 22 9.986 11.232 2.486 1.00 0.00 C ATOM 202 O LYS A 22 9.335 12.274 2.433 1.00 0.00 O ATOM 203 CB LYS A 22 11.441 10.518 0.511 1.00 0.00 C ATOM 204 CG LYS A 22 11.696 9.336 -0.430 1.00 0.00 C ATOM 205 CD LYS A 22 13.183 9.259 -0.786 1.00 0.00 C ATOM 206 CE LYS A 22 13.563 10.221 -1.922 1.00 0.00 C ATOM 207 NZ LYS A 22 14.730 9.730 -2.685 1.00 0.00 N ATOM 0 H LYS A 22 9.407 10.794 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 22 10.084 9.305 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.407 11.446 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.262 10.611 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.379 8.408 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.102 9.448 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.778 9.491 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.432 8.239 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.714 10.344 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.786 11.204 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.958 10.404 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.547 9.636 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.508 8.803 -3.101 1.00 0.00 H new ATOM 208 N GLY A 23 10.569 10.828 3.618 1.00 0.00 N ATOM 209 CA GLY A 23 10.561 11.616 4.845 1.00 0.00 C ATOM 210 C GLY A 23 9.285 11.386 5.652 1.00 0.00 C ATOM 211 O GLY A 23 9.345 11.159 6.858 1.00 0.00 O ATOM 0 H GLY A 23 11.062 9.939 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.428 11.355 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.651 12.674 4.599 1.00 0.00 H new ATOM 212 N GLY A 24 8.127 11.449 4.990 1.00 0.00 N ATOM 213 CA GLY A 24 6.824 11.231 5.602 1.00 0.00 C ATOM 214 C GLY A 24 6.788 9.970 6.488 1.00 0.00 C ATOM 215 O GLY A 24 6.932 8.873 5.954 1.00 0.00 O ATOM 0 H GLY A 24 8.073 11.658 3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.559 12.101 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.070 11.143 4.820 1.00 0.00 H new ATOM 216 N PRO A 25 6.585 10.075 7.811 1.00 0.00 N ATOM 217 CA PRO A 25 6.818 8.969 8.733 1.00 0.00 C ATOM 218 C PRO A 25 5.760 7.859 8.643 1.00 0.00 C ATOM 219 O PRO A 25 4.686 8.043 8.069 1.00 0.00 O ATOM 220 CB PRO A 25 6.848 9.612 10.124 1.00 0.00 C ATOM 221 CG PRO A 25 5.952 10.839 9.962 1.00 0.00 C ATOM 222 CD PRO A 25 6.261 11.291 8.535 1.00 0.00 C ATOM 0 HA PRO A 25 7.749 8.458 8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.468 8.935 10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.861 9.889 10.418 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.898 10.591 10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.188 11.613 10.692 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.406 11.798 8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.094 11.994 8.516 1.00 0.00 H new ATOM 223 N HIS A 26 6.065 6.705 9.252 1.00 0.00 N ATOM 224 CA HIS A 26 5.185 5.541 9.325 1.00 0.00 C ATOM 225 C HIS A 26 4.067 5.817 10.338 1.00 0.00 C ATOM 226 O HIS A 26 4.090 5.292 11.446 1.00 0.00 O ATOM 227 CB HIS A 26 5.989 4.269 9.680 1.00 0.00 C ATOM 228 CG HIS A 26 7.224 4.050 8.835 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.316 3.254 7.717 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.438 4.660 9.005 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.535 3.441 7.185 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.250 4.296 7.927 1.00 0.00 N ATOM 0 H HIS A 26 6.959 6.556 9.720 1.00 0.00 H new ATOM 0 HA HIS A 26 4.729 5.363 8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.286 4.323 10.727 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.336 3.402 9.578 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.718 5.306 9.824 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.890 2.967 6.282 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.200 4.618 7.742 1.00 0.00 H new ATOM 233 N LYS A 27 3.119 6.680 9.963 1.00 0.00 N ATOM 234 CA LYS A 27 2.040 7.175 10.809 1.00 0.00 C ATOM 235 C LYS A 27 1.152 6.043 11.350 1.00 0.00 C ATOM 236 O LYS A 27 1.395 5.521 12.435 1.00 0.00 O ATOM 237 CB LYS A 27 1.199 8.142 9.980 1.00 0.00 C ATOM 238 CG LYS A 27 1.847 9.493 9.680 1.00 0.00 C ATOM 239 CD LYS A 27 0.800 10.390 9.000 1.00 0.00 C ATOM 240 CE LYS A 27 0.181 9.660 7.795 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.703 10.495 6.971 1.00 0.00 N ATOM 0 H LYS A 27 3.085 7.067 9.020 1.00 0.00 H new ATOM 0 HA LYS A 27 2.476 7.672 11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.951 7.660 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.259 8.319 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.203 9.956 10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.714 9.363 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.020 10.657 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.264 11.320 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.984 9.273 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.384 8.801 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.739 10.113 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.660 10.496 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.337 11.468 6.946 1.00 0.00 H new ATOM 242 N VAL A 28 0.080 5.702 10.623 1.00 0.00 N ATOM 243 CA VAL A 28 -0.797 4.594 10.968 1.00 0.00 C ATOM 244 C VAL A 28 -0.345 3.406 10.141 1.00 0.00 C ATOM 245 O VAL A 28 -0.165 2.325 10.694 1.00 0.00 O ATOM 246 CB VAL A 28 -2.267 4.958 10.710 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.197 3.750 10.857 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.728 6.013 11.712 1.00 0.00 C ATOM 0 H VAL A 28 -0.198 6.195 9.775 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.735 4.354 12.029 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.320 5.330 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.225 4.057 10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.909 2.980 10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.120 3.352 11.869 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.771 6.265 11.521 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.628 5.621 12.724 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.114 6.907 11.607 1.00 0.00 H new ATOM 249 N GLY A 29 -0.144 3.617 8.837 1.00 0.00 N ATOM 250 CA GLY A 29 0.459 2.649 7.940 1.00 0.00 C ATOM 251 C GLY A 29 1.860 3.131 7.553 1.00 0.00 C ATOM 252 O GLY A 29 2.148 4.324 7.658 1.00 0.00 O ATOM 0 H GLY A 29 -0.405 4.487 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.517 1.674 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.157 2.527 7.049 1.00 0.00 H new ATOM 253 N PRO A 30 2.752 2.225 7.128 1.00 0.00 N ATOM 254 CA PRO A 30 4.128 2.565 6.811 1.00 0.00 C ATOM 255 C PRO A 30 4.240 3.361 5.514 1.00 0.00 C ATOM 256 O PRO A 30 3.402 3.234 4.629 1.00 0.00 O ATOM 257 CB PRO A 30 4.868 1.231 6.697 1.00 0.00 C ATOM 258 CG PRO A 30 3.764 0.255 6.294 1.00 0.00 C ATOM 259 CD PRO A 30 2.535 0.795 7.019 1.00 0.00 C ATOM 0 HA PRO A 30 4.555 3.204 7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.661 1.273 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.333 0.946 7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.618 0.237 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.997 -0.765 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.623 0.577 6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.426 0.338 8.002 1.00 0.00 H new ATOM 260 N ASN A 31 5.300 4.160 5.387 1.00 0.00 N ATOM 261 CA ASN A 31 5.587 4.893 4.157 1.00 0.00 C ATOM 262 C ASN A 31 5.679 3.921 2.974 1.00 0.00 C ATOM 263 O ASN A 31 6.299 2.866 3.105 1.00 0.00 O ATOM 264 CB ASN A 31 6.885 5.688 4.320 1.00 0.00 C ATOM 265 CG ASN A 31 7.127 6.618 3.133 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.188 6.186 1.992 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.270 7.909 3.378 1.00 0.00 N ATOM 0 H ASN A 31 5.980 4.316 6.131 1.00 0.00 H new ATOM 0 HA ASN A 31 4.777 5.594 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.841 6.273 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.724 4.999 4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.434 8.559 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.217 8.255 4.336 1.00 0.00 H new ATOM 268 N LEU A 32 5.047 4.259 1.845 1.00 0.00 N ATOM 269 CA LEU A 32 4.899 3.367 0.696 1.00 0.00 C ATOM 270 C LEU A 32 5.853 3.696 -0.459 1.00 0.00 C ATOM 271 O LEU A 32 5.731 3.128 -1.543 1.00 0.00 O ATOM 272 CB LEU A 32 3.440 3.391 0.233 1.00 0.00 C ATOM 273 CG LEU A 32 2.450 2.943 1.320 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.027 2.978 0.757 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.755 1.528 1.827 1.00 0.00 C ATOM 0 H LEU A 32 4.619 5.174 1.704 1.00 0.00 H new ATOM 0 HA LEU A 32 5.174 2.363 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.184 4.401 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.331 2.743 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 32 2.548 3.630 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.323 2.661 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.786 3.993 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.957 2.306 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.031 1.252 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.692 0.823 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.759 1.502 2.250 1.00 0.00 H new ATOM 276 N HIS A 33 6.823 4.581 -0.240 1.00 0.00 N ATOM 277 CA HIS A 33 7.963 4.724 -1.128 1.00 0.00 C ATOM 278 C HIS A 33 8.717 3.392 -1.185 1.00 0.00 C ATOM 279 O HIS A 33 8.718 2.638 -0.214 1.00 0.00 O ATOM 280 CB HIS A 33 8.874 5.826 -0.590 1.00 0.00 C ATOM 281 CG HIS A 33 10.129 6.027 -1.390 1.00 0.00 C ATOM 282 ND1 HIS A 33 10.283 6.867 -2.471 1.00 0.00 N ATOM 283 CD2 HIS A 33 11.371 5.591 -1.014 1.00 0.00 C ATOM 284 CE1 HIS A 33 11.604 6.972 -2.694 1.00 0.00 C ATOM 285 NE2 HIS A 33 12.307 6.216 -1.834 1.00 0.00 N ATOM 0 H HIS A 33 6.836 5.216 0.558 1.00 0.00 H new ATOM 0 HA HIS A 33 7.634 4.991 -2.132 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.318 6.763 -0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.145 5.589 0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.586 4.888 -0.223 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.044 7.586 -3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.321 6.119 -1.791 1.00 0.00 H new ATOM 286 N GLY A 34 9.373 3.104 -2.310 1.00 0.00 N ATOM 287 CA GLY A 34 10.174 1.905 -2.478 1.00 0.00 C ATOM 288 C GLY A 34 9.412 0.619 -2.161 1.00 0.00 C ATOM 289 O GLY A 34 10.020 -0.337 -1.696 1.00 0.00 O ATOM 0 H GLY A 34 9.359 3.706 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.537 1.860 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.050 1.968 -1.833 1.00 0.00 H new ATOM 290 N ILE A 35 8.103 0.566 -2.421 1.00 0.00 N ATOM 291 CA ILE A 35 7.302 -0.628 -2.193 1.00 0.00 C ATOM 292 C ILE A 35 7.335 -1.538 -3.429 1.00 0.00 C ATOM 293 O ILE A 35 7.582 -2.737 -3.314 1.00 0.00 O ATOM 294 CB ILE A 35 5.892 -0.207 -1.737 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.051 -1.372 -1.196 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.054 0.453 -2.826 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.335 -1.641 0.275 1.00 0.00 C ATOM 0 H ILE A 35 7.573 1.353 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 35 7.718 -1.234 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 35 6.111 0.512 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.992 -1.147 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.260 -2.271 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.077 0.718 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.558 1.353 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.927 -0.240 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.719 -2.473 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.388 -1.892 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.101 -0.751 0.859 1.00 0.00 H new ATOM 298 N PHE A 36 7.109 -0.987 -4.627 1.00 0.00 N ATOM 299 CA PHE A 36 6.905 -1.801 -5.819 1.00 0.00 C ATOM 300 C PHE A 36 8.205 -2.462 -6.252 1.00 0.00 C ATOM 301 O PHE A 36 9.046 -1.832 -6.889 1.00 0.00 O ATOM 302 CB PHE A 36 6.299 -0.991 -6.968 1.00 0.00 C ATOM 303 CG PHE A 36 4.801 -0.826 -6.836 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.299 0.197 -6.019 1.00 0.00 C ATOM 305 CD2 PHE A 36 3.931 -1.831 -7.307 1.00 0.00 C ATOM 306 CE1 PHE A 36 2.948 0.201 -5.653 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.558 -1.774 -7.010 1.00 0.00 C ATOM 308 CZ PHE A 36 2.066 -0.745 -6.189 1.00 0.00 C ATOM 0 H PHE A 36 7.064 0.019 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 36 6.190 -2.581 -5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.768 -0.007 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.525 -1.484 -7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.955 0.982 -5.672 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.321 -2.647 -7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.584 0.938 -4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.885 -2.517 -7.411 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.010 -0.684 -5.972 1.00 0.00 H new ATOM 309 N GLY A 37 8.333 -3.748 -5.934 1.00 0.00 N ATOM 310 CA GLY A 37 9.482 -4.565 -6.284 1.00 0.00 C ATOM 311 C GLY A 37 10.455 -4.694 -5.116 1.00 0.00 C ATOM 312 O GLY A 37 11.540 -5.246 -5.286 1.00 0.00 O ATOM 0 H GLY A 37 7.621 -4.259 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.145 -5.556 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.995 -4.125 -7.139 1.00 0.00 H new ATOM 313 N ARG A 38 10.074 -4.214 -3.928 1.00 0.00 N ATOM 314 CA ARG A 38 10.667 -4.622 -2.675 1.00 0.00 C ATOM 315 C ARG A 38 9.613 -5.491 -1.993 1.00 0.00 C ATOM 316 O ARG A 38 8.426 -5.360 -2.280 1.00 0.00 O ATOM 317 CB ARG A 38 10.994 -3.384 -1.846 1.00 0.00 C ATOM 318 CG ARG A 38 11.883 -2.366 -2.574 1.00 0.00 C ATOM 319 CD ARG A 38 13.211 -2.918 -3.100 1.00 0.00 C ATOM 320 NE ARG A 38 13.974 -1.836 -3.743 1.00 0.00 N ATOM 321 CZ ARG A 38 15.225 -1.940 -4.216 1.00 0.00 C ATOM 322 NH1 ARG A 38 15.876 -3.104 -4.123 1.00 0.00 N ATOM 323 NH2 ARG A 38 15.817 -0.877 -4.775 1.00 0.00 N ATOM 0 H ARG A 38 9.333 -3.521 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 38 11.598 -5.173 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.063 -2.897 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.491 -3.695 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.322 -1.952 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.095 -1.541 -1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.788 -3.347 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.026 -3.720 -3.814 1.00 0.00 H new ATOM 0 HE ARG A 38 13.513 -0.931 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.421 -3.910 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.827 -3.186 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.317 0.010 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.768 -0.954 -5.135 1.00 0.00 H new ATOM 324 N GLN A 39 10.026 -6.414 -1.131 1.00 0.00 N ATOM 325 CA GLN A 39 9.089 -7.330 -0.530 1.00 0.00 C ATOM 326 C GLN A 39 8.243 -6.598 0.522 1.00 0.00 C ATOM 327 O GLN A 39 8.511 -5.448 0.871 1.00 0.00 O ATOM 328 CB GLN A 39 9.886 -8.484 0.078 1.00 0.00 C ATOM 329 CG GLN A 39 10.538 -9.350 -1.009 1.00 0.00 C ATOM 330 CD GLN A 39 11.399 -10.461 -0.418 1.00 0.00 C ATOM 331 OE1 GLN A 39 12.556 -10.624 -0.790 1.00 0.00 O ATOM 332 NE2 GLN A 39 10.849 -11.241 0.509 1.00 0.00 N ATOM 0 H GLN A 39 10.996 -6.540 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 39 8.397 -7.728 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.656 -8.087 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.227 -9.100 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.762 -9.788 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.151 -8.721 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.884 -11.084 0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.392 -11.996 0.928 1.00 0.00 H new ATOM 333 N SER A 40 7.229 -7.277 1.051 1.00 0.00 N ATOM 334 CA SER A 40 6.404 -6.788 2.136 1.00 0.00 C ATOM 335 C SER A 40 7.183 -6.883 3.449 1.00 0.00 C ATOM 336 O SER A 40 8.083 -7.714 3.574 1.00 0.00 O ATOM 337 CB SER A 40 5.098 -7.595 2.147 1.00 0.00 C ATOM 338 OG SER A 40 5.304 -8.927 2.576 1.00 0.00 O ATOM 0 H SER A 40 6.957 -8.204 0.725 1.00 0.00 H new ATOM 0 HA SER A 40 6.145 -5.738 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.377 -7.109 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.665 -7.599 1.147 1.00 0.00 H new ATOM 0 HG SER A 40 5.106 -8.997 3.533 1.00 0.00 H new ATOM 339 N GLY A 41 6.851 -6.045 4.434 1.00 0.00 N ATOM 340 CA GLY A 41 7.378 -6.238 5.777 1.00 0.00 C ATOM 341 C GLY A 41 8.895 -6.035 5.864 1.00 0.00 C ATOM 342 O GLY A 41 9.557 -6.729 6.634 1.00 0.00 O ATOM 0 H GLY A 41 6.231 -5.242 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.885 -5.543 6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.132 -7.244 6.116 1.00 0.00 H new ATOM 343 N GLN A 42 9.448 -5.079 5.108 1.00 0.00 N ATOM 344 CA GLN A 42 10.872 -4.760 5.101 1.00 0.00 C ATOM 345 C GLN A 42 11.152 -3.255 4.969 1.00 0.00 C ATOM 346 O GLN A 42 12.092 -2.857 4.278 1.00 0.00 O ATOM 347 CB GLN A 42 11.564 -5.594 4.023 1.00 0.00 C ATOM 348 CG GLN A 42 10.959 -5.333 2.642 1.00 0.00 C ATOM 349 CD GLN A 42 12.007 -5.035 1.575 1.00 0.00 C ATOM 350 OE1 GLN A 42 12.135 -5.752 0.584 1.00 0.00 O ATOM 351 NE2 GLN A 42 12.763 -3.958 1.767 1.00 0.00 N ATOM 0 H GLN A 42 8.903 -4.496 4.473 1.00 0.00 H new ATOM 0 HA GLN A 42 11.292 -5.026 6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.628 -5.359 4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.475 -6.653 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.376 -6.202 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.268 -4.493 2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.631 -3.384 2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.475 -3.706 1.081 1.00 0.00 H new ATOM 352 N ALA A 43 10.339 -2.425 5.626 1.00 0.00 N ATOM 353 CA ALA A 43 10.589 -1.001 5.819 1.00 0.00 C ATOM 354 C ALA A 43 11.355 -0.771 7.132 1.00 0.00 C ATOM 355 O ALA A 43 11.974 -1.692 7.664 1.00 0.00 O ATOM 356 CB ALA A 43 9.245 -0.262 5.789 1.00 0.00 C ATOM 0 H ALA A 43 9.465 -2.737 6.049 1.00 0.00 H new ATOM 0 HA ALA A 43 11.215 -0.608 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.413 0.805 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.760 -0.427 4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.605 -0.638 6.587 1.00 0.00 H new ATOM 357 N GLU A 44 11.310 0.460 7.655 1.00 0.00 N ATOM 358 CA GLU A 44 11.869 0.821 8.954 1.00 0.00 C ATOM 359 C GLU A 44 11.224 -0.013 10.071 1.00 0.00 C ATOM 360 O GLU A 44 10.164 -0.612 9.874 1.00 0.00 O ATOM 361 CB GLU A 44 11.667 2.326 9.173 1.00 0.00 C ATOM 362 CG GLU A 44 12.392 2.921 10.387 1.00 0.00 C ATOM 363 CD GLU A 44 12.242 4.438 10.401 1.00 0.00 C ATOM 364 OE1 GLU A 44 11.232 4.900 10.974 1.00 0.00 O ATOM 365 OE2 GLU A 44 13.135 5.098 9.829 1.00 0.00 O ATOM 0 H GLU A 44 10.874 1.246 7.173 1.00 0.00 H new ATOM 0 HA GLU A 44 12.937 0.603 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.000 2.853 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.600 2.520 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.984 2.500 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.448 2.653 10.356 1.00 0.00 H new ATOM 366 N GLY A 45 11.845 -0.025 11.254 1.00 0.00 N ATOM 367 CA GLY A 45 11.370 -0.736 12.438 1.00 0.00 C ATOM 368 C GLY A 45 10.154 -0.058 13.076 1.00 0.00 C ATOM 369 O GLY A 45 10.174 0.291 14.254 1.00 0.00 O ATOM 0 H GLY A 45 12.719 0.476 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.111 -1.759 12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.175 -0.796 13.170 1.00 0.00 H new ATOM 370 N TYR A 46 9.091 0.104 12.292 1.00 0.00 N ATOM 371 CA TYR A 46 7.778 0.553 12.720 1.00 0.00 C ATOM 372 C TYR A 46 7.006 -0.668 13.264 1.00 0.00 C ATOM 373 O TYR A 46 7.504 -1.795 13.218 1.00 0.00 O ATOM 374 CB TYR A 46 7.132 1.284 11.525 1.00 0.00 C ATOM 375 CG TYR A 46 5.654 1.061 11.300 1.00 0.00 C ATOM 376 CD1 TYR A 46 5.249 -0.088 10.605 1.00 0.00 C ATOM 377 CD2 TYR A 46 4.692 1.990 11.744 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.897 -0.276 10.309 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.328 1.765 11.492 1.00 0.00 C ATOM 380 CZ TYR A 46 2.931 0.609 10.799 1.00 0.00 C ATOM 381 OH TYR A 46 1.623 0.346 10.546 1.00 0.00 O ATOM 0 H TYR A 46 9.129 -0.085 11.290 1.00 0.00 H new ATOM 0 HA TYR A 46 7.795 1.270 13.541 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.297 2.354 11.653 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.661 0.986 10.620 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.979 -0.824 10.300 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.003 2.875 12.278 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.595 -1.112 9.696 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.589 2.477 11.829 1.00 0.00 H new ATOM 0 HH TYR A 46 1.103 1.173 10.621 1.00 0.00 H new ATOM 382 N SER A 47 5.800 -0.466 13.806 1.00 0.00 N ATOM 383 CA SER A 47 4.980 -1.519 14.388 1.00 0.00 C ATOM 384 C SER A 47 4.482 -2.497 13.315 1.00 0.00 C ATOM 385 O SER A 47 3.341 -2.385 12.866 1.00 0.00 O ATOM 386 CB SER A 47 3.809 -0.859 15.120 1.00 0.00 C ATOM 387 OG SER A 47 3.140 0.011 14.227 1.00 0.00 O ATOM 0 H SER A 47 5.363 0.455 13.850 1.00 0.00 H new ATOM 0 HA SER A 47 5.575 -2.104 15.090 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.121 -1.618 15.492 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.171 -0.305 15.986 1.00 0.00 H new ATOM 0 HG SER A 47 2.954 -0.461 13.388 1.00 0.00 H new ATOM 388 N TYR A 48 5.343 -3.428 12.908 1.00 0.00 N ATOM 389 CA TYR A 48 5.091 -4.447 11.910 1.00 0.00 C ATOM 390 C TYR A 48 4.503 -5.729 12.510 1.00 0.00 C ATOM 391 O TYR A 48 4.182 -5.770 13.697 1.00 0.00 O ATOM 392 CB TYR A 48 6.434 -4.716 11.224 1.00 0.00 C ATOM 393 CG TYR A 48 6.781 -3.913 9.986 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.805 -3.302 9.168 1.00 0.00 C ATOM 395 CD2 TYR A 48 8.084 -4.067 9.495 1.00 0.00 C ATOM 396 CE1 TYR A 48 6.126 -2.895 7.865 1.00 0.00 C ATOM 397 CE2 TYR A 48 8.376 -3.740 8.169 1.00 0.00 C ATOM 398 CZ TYR A 48 7.401 -3.152 7.347 1.00 0.00 C ATOM 399 OH TYR A 48 7.626 -3.020 6.009 1.00 0.00 O ATOM 0 H TYR A 48 6.286 -3.488 13.292 1.00 0.00 H new ATOM 0 HA TYR A 48 4.341 -4.100 11.199 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.222 -4.551 11.959 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.465 -5.772 10.955 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.806 -3.147 9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.864 -4.439 10.143 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.390 -2.384 7.262 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.360 -3.941 7.772 1.00 0.00 H new ATOM 0 HH TYR A 48 6.770 -2.934 5.540 1.00 0.00 H new ATOM 400 N THR A 49 4.343 -6.770 11.675 1.00 0.00 N ATOM 401 CA THR A 49 3.628 -7.990 12.042 1.00 0.00 C ATOM 402 C THR A 49 4.363 -9.264 11.610 1.00 0.00 C ATOM 403 O THR A 49 4.881 -9.351 10.494 1.00 0.00 O ATOM 404 CB THR A 49 2.204 -7.965 11.460 1.00 0.00 C ATOM 405 OG1 THR A 49 2.200 -7.864 10.046 1.00 0.00 O ATOM 406 CG2 THR A 49 1.415 -6.773 11.979 1.00 0.00 C ATOM 0 H THR A 49 4.710 -6.782 10.724 1.00 0.00 H new ATOM 0 HA THR A 49 3.576 -8.014 13.131 1.00 0.00 H new ATOM 0 HB THR A 49 1.751 -8.906 11.772 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.648 -7.101 9.774 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.414 -6.784 11.549 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.344 -6.829 13.065 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.921 -5.850 11.695 1.00 0.00 H new ATOM 407 N ASP A 50 4.336 -10.281 12.485 1.00 0.00 N ATOM 408 CA ASP A 50 4.703 -11.657 12.154 1.00 0.00 C ATOM 409 C ASP A 50 3.925 -12.096 10.920 1.00 0.00 C ATOM 410 O ASP A 50 4.472 -12.693 9.999 1.00 0.00 O ATOM 411 CB ASP A 50 4.372 -12.585 13.326 1.00 0.00 C ATOM 412 CG ASP A 50 4.870 -14.006 13.085 1.00 0.00 C ATOM 413 OD1 ASP A 50 6.092 -14.184 12.919 1.00 0.00 O ATOM 414 OD2 ASP A 50 4.037 -14.941 13.091 1.00 0.00 O ATOM 0 H ASP A 50 4.053 -10.163 13.458 1.00 0.00 H new ATOM 0 HA ASP A 50 5.773 -11.708 11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.822 -12.193 14.238 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.294 -12.600 13.484 1.00 0.00 H new ATOM 415 N ALA A 51 2.636 -11.751 10.915 1.00 0.00 N ATOM 416 CA ALA A 51 1.743 -11.936 9.785 1.00 0.00 C ATOM 417 C ALA A 51 2.368 -11.410 8.491 1.00 0.00 C ATOM 418 O ALA A 51 2.583 -12.201 7.573 1.00 0.00 O ATOM 419 CB ALA A 51 0.396 -11.271 10.061 1.00 0.00 C ATOM 0 H ALA A 51 2.179 -11.325 11.721 1.00 0.00 H new ATOM 0 HA ALA A 51 1.576 -13.005 9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.264 -11.417 9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.055 -11.717 10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.544 -10.204 10.227 1.00 0.00 H new ATOM 420 N ASN A 52 2.663 -10.103 8.391 1.00 0.00 N ATOM 421 CA ASN A 52 3.255 -9.581 7.158 1.00 0.00 C ATOM 422 C ASN A 52 4.545 -10.335 6.825 1.00 0.00 C ATOM 423 O ASN A 52 4.686 -10.832 5.709 1.00 0.00 O ATOM 424 CB ASN A 52 3.459 -8.061 7.234 1.00 0.00 C ATOM 425 CG ASN A 52 3.929 -7.442 5.911 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.634 -8.064 5.123 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.532 -6.200 5.647 1.00 0.00 N ATOM 0 H ASN A 52 2.506 -9.412 9.125 1.00 0.00 H new ATOM 0 HA ASN A 52 2.559 -9.753 6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.523 -7.591 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.191 -7.838 8.011 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.814 -5.749 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.946 -5.699 6.315 1.00 0.00 H new ATOM 428 N ILE A 53 5.455 -10.471 7.795 1.00 0.00 N ATOM 429 CA ILE A 53 6.732 -11.154 7.591 1.00 0.00 C ATOM 430 C ILE A 53 6.521 -12.545 6.971 1.00 0.00 C ATOM 431 O ILE A 53 7.024 -12.833 5.889 1.00 0.00 O ATOM 432 CB ILE A 53 7.521 -11.194 8.915 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.956 -9.766 9.299 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.755 -12.103 8.801 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.438 -9.660 10.749 1.00 0.00 C ATOM 0 H ILE A 53 5.326 -10.111 8.741 1.00 0.00 H new ATOM 0 HA ILE A 53 7.333 -10.595 6.874 1.00 0.00 H new ATOM 0 HB ILE A 53 6.872 -11.603 9.689 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.755 -9.443 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.119 -9.084 9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.290 -12.110 9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.439 -13.117 8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.412 -11.728 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.731 -8.632 10.961 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.633 -9.954 11.422 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.294 -10.319 10.897 1.00 0.00 H new ATOM 436 N LYS A 54 5.771 -13.422 7.639 1.00 0.00 N ATOM 437 CA LYS A 54 5.532 -14.779 7.161 1.00 0.00 C ATOM 438 C LYS A 54 4.736 -14.792 5.857 1.00 0.00 C ATOM 439 O LYS A 54 4.859 -15.724 5.066 1.00 0.00 O ATOM 440 CB LYS A 54 4.819 -15.600 8.236 1.00 0.00 C ATOM 441 CG LYS A 54 5.756 -15.849 9.421 1.00 0.00 C ATOM 442 CD LYS A 54 5.069 -16.758 10.440 1.00 0.00 C ATOM 443 CE LYS A 54 6.029 -17.070 11.597 1.00 0.00 C ATOM 444 NZ LYS A 54 5.297 -17.261 12.860 1.00 0.00 N ATOM 0 H LYS A 54 5.314 -13.209 8.526 1.00 0.00 H new ATOM 0 HA LYS A 54 6.501 -15.232 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.926 -15.073 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.489 -16.551 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.681 -16.309 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.026 -14.902 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.170 -16.275 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.753 -17.684 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.601 -17.968 11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.745 -16.256 11.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.948 -17.133 13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.527 -16.564 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.898 -18.221 12.888 1.00 0.00 H new ATOM 445 N LYS A 55 3.936 -13.753 5.611 1.00 0.00 N ATOM 446 CA LYS A 55 3.225 -13.562 4.360 1.00 0.00 C ATOM 447 C LYS A 55 4.088 -12.740 3.390 1.00 0.00 C ATOM 448 O LYS A 55 3.539 -12.034 2.552 1.00 0.00 O ATOM 449 CB LYS A 55 1.853 -12.941 4.679 1.00 0.00 C ATOM 450 CG LYS A 55 0.806 -12.833 3.557 1.00 0.00 C ATOM 451 CD LYS A 55 0.278 -14.148 2.964 1.00 0.00 C ATOM 452 CE LYS A 55 1.200 -14.743 1.885 1.00 0.00 C ATOM 453 NZ LYS A 55 0.443 -15.483 0.854 1.00 0.00 N ATOM 0 H LYS A 55 3.766 -13.012 6.291 1.00 0.00 H new ATOM 0 HA LYS A 55 3.038 -14.506 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.409 -13.520 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.028 -11.936 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.044 -12.269 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.238 -12.246 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.152 -14.875 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.708 -13.974 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.768 -13.942 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.922 -15.412 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.103 -15.867 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.079 -16.264 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.228 -14.840 0.388 1.00 0.00 H new ATOM 454 N ASN A 56 5.423 -12.858 3.481 1.00 0.00 N ATOM 455 CA ASN A 56 6.409 -12.234 2.596 1.00 0.00 C ATOM 456 C ASN A 56 5.973 -12.188 1.123 1.00 0.00 C ATOM 457 O ASN A 56 6.128 -13.150 0.375 1.00 0.00 O ATOM 458 CB ASN A 56 7.803 -12.872 2.758 1.00 0.00 C ATOM 459 CG ASN A 56 7.860 -14.397 2.622 1.00 0.00 C ATOM 460 OD1 ASN A 56 7.996 -15.111 3.610 1.00 0.00 O ATOM 461 ND2 ASN A 56 7.819 -14.920 1.402 1.00 0.00 N ATOM 0 H ASN A 56 5.861 -13.420 4.211 1.00 0.00 H new ATOM 0 HA ASN A 56 6.477 -11.194 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.470 -12.435 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.195 -12.599 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.901 -15.929 1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.705 -14.313 0.590 1.00 0.00 H new ATOM 462 N VAL A 57 5.447 -11.043 0.699 1.00 0.00 N ATOM 463 CA VAL A 57 4.919 -10.789 -0.634 1.00 0.00 C ATOM 464 C VAL A 57 5.862 -9.824 -1.353 1.00 0.00 C ATOM 465 O VAL A 57 6.737 -9.246 -0.721 1.00 0.00 O ATOM 466 CB VAL A 57 3.467 -10.305 -0.450 1.00 0.00 C ATOM 467 CG1 VAL A 57 2.934 -9.339 -1.510 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.572 -11.547 -0.392 1.00 0.00 C ATOM 0 H VAL A 57 5.375 -10.228 1.307 1.00 0.00 H new ATOM 0 HA VAL A 57 4.876 -11.668 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 57 3.456 -9.719 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.905 -9.070 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.549 -8.439 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.968 -9.818 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.534 -11.242 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.671 -12.110 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.874 -12.174 0.447 1.00 0.00 H new ATOM 469 N LEU A 58 5.739 -9.700 -2.676 1.00 0.00 N ATOM 470 CA LEU A 58 6.653 -8.945 -3.538 1.00 0.00 C ATOM 471 C LEU A 58 6.095 -7.563 -3.913 1.00 0.00 C ATOM 472 O LEU A 58 6.835 -6.698 -4.373 1.00 0.00 O ATOM 473 CB LEU A 58 6.911 -9.806 -4.769 1.00 0.00 C ATOM 474 CG LEU A 58 7.892 -9.205 -5.790 1.00 0.00 C ATOM 475 CD1 LEU A 58 8.771 -10.322 -6.354 1.00 0.00 C ATOM 476 CD2 LEU A 58 7.151 -8.543 -6.958 1.00 0.00 C ATOM 0 H LEU A 58 4.976 -10.136 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 58 7.584 -8.739 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.296 -10.772 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.960 -9.993 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 58 8.490 -8.450 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.470 -9.904 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.327 -10.792 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.143 -11.067 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.875 -8.129 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.536 -9.286 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.515 -7.743 -6.579 1.00 0.00 H new ATOM 477 N TRP A 59 4.783 -7.369 -3.745 1.00 0.00 N ATOM 478 CA TRP A 59 4.083 -6.133 -4.058 1.00 0.00 C ATOM 479 C TRP A 59 4.134 -5.788 -5.553 1.00 0.00 C ATOM 480 O TRP A 59 4.525 -4.695 -5.961 1.00 0.00 O ATOM 481 CB TRP A 59 4.482 -5.008 -3.087 1.00 0.00 C ATOM 482 CG TRP A 59 4.032 -5.162 -1.651 1.00 0.00 C ATOM 483 CD1 TRP A 59 4.787 -4.848 -0.570 1.00 0.00 C ATOM 484 CD2 TRP A 59 2.760 -5.655 -1.104 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.063 -5.060 0.587 1.00 0.00 N ATOM 486 CE2 TRP A 59 2.837 -5.618 0.321 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.543 -6.134 -1.646 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.807 -6.074 1.155 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.526 -6.644 -0.823 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.657 -6.625 0.575 1.00 0.00 C ATOM 0 H TRP A 59 4.167 -8.093 -3.376 1.00 0.00 H new ATOM 0 HA TRP A 59 3.017 -6.279 -3.882 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.568 -4.919 -3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.082 -4.069 -3.471 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.804 -4.486 -0.608 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.398 -4.831 1.523 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.394 -6.107 -2.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.899 -6.002 2.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.367 -7.055 -1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.124 -7.033 1.199 1.00 0.00 H new ATOM 491 N ASP A 60 3.650 -6.738 -6.358 1.00 0.00 N ATOM 492 CA ASP A 60 3.224 -6.586 -7.746 1.00 0.00 C ATOM 493 C ASP A 60 1.775 -6.075 -7.812 1.00 0.00 C ATOM 494 O ASP A 60 1.087 -6.021 -6.792 1.00 0.00 O ATOM 495 CB ASP A 60 3.278 -7.972 -8.391 1.00 0.00 C ATOM 496 CG ASP A 60 2.328 -8.889 -7.637 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.776 -9.354 -6.565 1.00 0.00 O ATOM 498 OD2 ASP A 60 1.153 -9.000 -8.054 1.00 0.00 O ATOM 0 H ASP A 60 3.539 -7.698 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 60 3.871 -5.873 -8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.994 -7.913 -9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.293 -8.367 -8.357 1.00 0.00 H new ATOM 499 N GLU A 61 1.295 -5.750 -9.024 1.00 0.00 N ATOM 500 CA GLU A 61 -0.057 -5.300 -9.284 1.00 0.00 C ATOM 501 C GLU A 61 -1.091 -6.226 -8.651 1.00 0.00 C ATOM 502 O GLU A 61 -2.035 -5.751 -8.026 1.00 0.00 O ATOM 503 CB GLU A 61 -0.297 -5.205 -10.807 1.00 0.00 C ATOM 504 CG GLU A 61 -1.546 -4.377 -11.094 1.00 0.00 C ATOM 505 CD GLU A 61 -2.113 -4.470 -12.519 1.00 0.00 C ATOM 506 OE1 GLU A 61 -1.368 -4.916 -13.416 1.00 0.00 O ATOM 507 OE2 GLU A 61 -3.287 -4.073 -12.706 1.00 0.00 O ATOM 0 H GLU A 61 1.866 -5.799 -9.868 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.172 -4.314 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.568 -4.751 -11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.410 -6.204 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.326 -4.681 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.319 -3.332 -10.884 1.00 0.00 H new ATOM 508 N ASN A 62 -0.971 -7.536 -8.863 1.00 0.00 N ATOM 509 CA ASN A 62 -2.062 -8.454 -8.587 1.00 0.00 C ATOM 510 C ASN A 62 -2.213 -8.612 -7.081 1.00 0.00 C ATOM 511 O ASN A 62 -3.287 -8.378 -6.522 1.00 0.00 O ATOM 512 CB ASN A 62 -1.818 -9.794 -9.280 1.00 0.00 C ATOM 513 CG ASN A 62 -3.065 -10.666 -9.205 1.00 0.00 C ATOM 514 OD1 ASN A 62 -3.212 -11.482 -8.303 1.00 0.00 O ATOM 515 ND2 ASN A 62 -3.980 -10.497 -10.157 1.00 0.00 N ATOM 0 H ASN A 62 -0.127 -7.980 -9.225 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.995 -8.054 -8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.545 -9.627 -10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.979 -10.307 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.833 -11.055 -10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.828 -9.809 -10.894 1.00 0.00 H new ATOM 516 N ASN A 63 -1.107 -8.960 -6.422 1.00 0.00 N ATOM 517 CA ASN A 63 -1.104 -9.119 -4.975 1.00 0.00 C ATOM 518 C ASN A 63 -1.472 -7.802 -4.303 1.00 0.00 C ATOM 519 O ASN A 63 -2.304 -7.798 -3.395 1.00 0.00 O ATOM 520 CB ASN A 63 0.244 -9.638 -4.478 1.00 0.00 C ATOM 521 CG ASN A 63 0.460 -11.111 -4.831 1.00 0.00 C ATOM 522 OD1 ASN A 63 -0.389 -11.957 -4.572 1.00 0.00 O ATOM 523 ND2 ASN A 63 1.601 -11.445 -5.417 1.00 0.00 N ATOM 0 H ASN A 63 -0.207 -9.136 -6.869 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.854 -9.863 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.045 -9.040 -4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.304 -9.512 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.784 -12.419 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.296 -10.728 -5.625 1.00 0.00 H new ATOM 524 N MET A 64 -0.888 -6.681 -4.749 1.00 0.00 N ATOM 525 CA MET A 64 -1.245 -5.378 -4.203 1.00 0.00 C ATOM 526 C MET A 64 -2.740 -5.124 -4.381 1.00 0.00 C ATOM 527 O MET A 64 -3.406 -4.712 -3.440 1.00 0.00 O ATOM 528 CB MET A 64 -0.420 -4.263 -4.858 1.00 0.00 C ATOM 529 CG MET A 64 -0.661 -2.903 -4.185 1.00 0.00 C ATOM 530 SD MET A 64 -0.080 -2.720 -2.476 1.00 0.00 S ATOM 531 CE MET A 64 1.709 -2.764 -2.730 1.00 0.00 C ATOM 0 H MET A 64 -0.175 -6.656 -5.478 1.00 0.00 H new ATOM 0 HA MET A 64 -1.017 -5.377 -3.137 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.639 -4.514 -4.801 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.675 -4.195 -5.915 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.181 -2.135 -4.791 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.732 -2.700 -4.203 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.206 -2.966 -1.781 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.956 -3.550 -3.444 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.045 -1.802 -3.118 1.00 0.00 H new ATOM 532 N SER A 65 -3.288 -5.346 -5.576 1.00 0.00 N ATOM 533 CA SER A 65 -4.683 -5.107 -5.838 1.00 0.00 C ATOM 534 C SER A 65 -5.569 -5.916 -4.893 1.00 0.00 C ATOM 535 O SER A 65 -6.511 -5.350 -4.334 1.00 0.00 O ATOM 536 CB SER A 65 -4.959 -5.423 -7.305 1.00 0.00 C ATOM 537 OG SER A 65 -4.382 -4.441 -8.135 1.00 0.00 O ATOM 0 H SER A 65 -2.767 -5.696 -6.380 1.00 0.00 H new ATOM 0 HA SER A 65 -4.924 -4.060 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.554 -6.404 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.034 -5.469 -7.478 1.00 0.00 H new ATOM 0 HG SER A 65 -3.439 -4.658 -8.292 1.00 0.00 H new ATOM 538 N GLU A 66 -5.293 -7.214 -4.722 1.00 0.00 N ATOM 539 CA GLU A 66 -6.081 -8.057 -3.832 1.00 0.00 C ATOM 540 C GLU A 66 -5.952 -7.548 -2.392 1.00 0.00 C ATOM 541 O GLU A 66 -6.948 -7.297 -1.716 1.00 0.00 O ATOM 542 CB GLU A 66 -5.636 -9.521 -3.965 1.00 0.00 C ATOM 543 CG GLU A 66 -6.811 -10.500 -3.824 1.00 0.00 C ATOM 544 CD GLU A 66 -7.593 -10.374 -2.522 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.095 -10.890 -1.499 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.723 -9.846 -2.560 1.00 0.00 O ATOM 0 H GLU A 66 -4.528 -7.699 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.134 -8.008 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.158 -9.667 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.888 -9.742 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.495 -10.348 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.430 -11.518 -3.906 1.00 0.00 H new ATOM 547 N TYR A 67 -4.712 -7.344 -1.939 1.00 0.00 N ATOM 548 CA TYR A 67 -4.430 -6.764 -0.635 1.00 0.00 C ATOM 549 C TYR A 67 -5.275 -5.516 -0.398 1.00 0.00 C ATOM 550 O TYR A 67 -6.028 -5.448 0.566 1.00 0.00 O ATOM 551 CB TYR A 67 -2.939 -6.444 -0.510 1.00 0.00 C ATOM 552 CG TYR A 67 -2.579 -5.716 0.768 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.692 -6.386 1.996 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.280 -4.342 0.753 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.461 -5.710 3.200 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.123 -3.651 1.965 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.173 -4.343 3.187 1.00 0.00 C ATOM 558 OH TYR A 67 -2.220 -3.676 4.367 1.00 0.00 O ATOM 0 H TYR A 67 -3.876 -7.580 -2.473 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.693 -7.494 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.371 -7.373 -0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.634 -5.837 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.959 -7.432 2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.172 -3.821 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.505 -6.244 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.963 -2.583 1.958 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.803 -2.795 4.262 1.00 0.00 H new ATOM 559 N LEU A 68 -5.174 -4.538 -1.292 1.00 0.00 N ATOM 560 CA LEU A 68 -5.943 -3.311 -1.212 1.00 0.00 C ATOM 561 C LEU A 68 -7.443 -3.576 -1.203 1.00 0.00 C ATOM 562 O LEU A 68 -8.181 -2.875 -0.515 1.00 0.00 O ATOM 563 CB LEU A 68 -5.565 -2.385 -2.357 1.00 0.00 C ATOM 564 CG LEU A 68 -4.156 -1.780 -2.226 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.904 -0.830 -3.401 1.00 0.00 C ATOM 566 CD2 LEU A 68 -3.927 -1.022 -0.915 1.00 0.00 C ATOM 0 H LEU A 68 -4.550 -4.579 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.700 -2.827 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.628 -2.937 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.294 -1.576 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.458 -2.617 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.907 -0.399 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.979 -1.382 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.647 -0.032 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.912 -0.625 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.639 -0.200 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.066 -1.700 -0.073 1.00 0.00 H new ATOM 567 N THR A 69 -7.910 -4.556 -1.976 1.00 0.00 N ATOM 568 CA THR A 69 -9.287 -5.022 -1.870 1.00 0.00 C ATOM 569 C THR A 69 -9.646 -5.537 -0.482 1.00 0.00 C ATOM 570 O THR A 69 -10.755 -5.262 -0.023 1.00 0.00 O ATOM 571 CB THR A 69 -9.682 -5.999 -2.995 1.00 0.00 C ATOM 572 OG1 THR A 69 -9.830 -5.269 -4.190 1.00 0.00 O ATOM 573 CG2 THR A 69 -11.040 -6.672 -2.773 1.00 0.00 C ATOM 0 H THR A 69 -7.354 -5.040 -2.681 1.00 0.00 H new ATOM 0 HA THR A 69 -9.903 -4.135 -2.018 1.00 0.00 H new ATOM 0 HB THR A 69 -8.900 -6.757 -3.023 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.394 -4.484 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.252 -7.345 -3.603 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.017 -7.239 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.818 -5.911 -2.715 1.00 0.00 H new ATOM 574 N ASN A 70 -8.772 -6.287 0.192 1.00 0.00 N ATOM 575 CA ASN A 70 -9.131 -6.832 1.496 1.00 0.00 C ATOM 576 C ASN A 70 -7.906 -7.113 2.379 1.00 0.00 C ATOM 577 O ASN A 70 -7.495 -8.266 2.542 1.00 0.00 O ATOM 578 CB ASN A 70 -10.032 -8.050 1.301 1.00 0.00 C ATOM 579 CG ASN A 70 -10.819 -8.400 2.557 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.579 -7.859 3.630 1.00 0.00 O ATOM 581 ND2 ASN A 70 -11.796 -9.293 2.428 1.00 0.00 N ATOM 0 H ASN A 70 -7.835 -6.525 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.693 -6.080 2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.726 -7.857 0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.423 -8.905 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.368 -9.543 3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.973 -9.728 1.522 1.00 0.00 H new ATOM 582 N PRO A 71 -7.319 -6.071 2.985 1.00 0.00 N ATOM 583 CA PRO A 71 -6.002 -6.170 3.598 1.00 0.00 C ATOM 584 C PRO A 71 -6.047 -7.099 4.809 1.00 0.00 C ATOM 585 O PRO A 71 -5.266 -8.045 4.905 1.00 0.00 O ATOM 586 CB PRO A 71 -5.585 -4.735 3.932 1.00 0.00 C ATOM 587 CG PRO A 71 -6.885 -3.923 3.915 1.00 0.00 C ATOM 588 CD PRO A 71 -7.834 -4.711 3.016 1.00 0.00 C ATOM 0 HA PRO A 71 -5.260 -6.615 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.101 -4.683 4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.872 -4.352 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.294 -3.813 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.717 -2.918 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.851 -4.688 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.868 -4.283 2.014 1.00 0.00 H new HETATM 589 N M3L A 72 -7.037 -6.863 5.674 1.00 0.00 N HETATM 590 CA M3L A 72 -7.389 -7.654 6.851 1.00 0.00 C HETATM 591 CB M3L A 72 -8.719 -7.145 7.436 1.00 0.00 C HETATM 592 CG M3L A 72 -9.886 -7.257 6.442 1.00 0.00 C HETATM 593 CD M3L A 72 -11.274 -7.181 7.100 1.00 0.00 C HETATM 594 CE M3L A 72 -11.631 -5.844 7.782 1.00 0.00 C HETATM 595 NZ M3L A 72 -12.340 -4.832 6.936 1.00 0.00 N HETATM 596 C M3L A 72 -7.443 -9.169 6.591 1.00 0.00 C HETATM 597 O M3L A 72 -7.338 -9.958 7.526 1.00 0.00 O HETATM 598 CM1 M3L A 72 -12.535 -3.615 7.763 1.00 0.00 C HETATM 599 CM2 M3L A 72 -11.555 -4.456 5.736 1.00 0.00 C HETATM 600 CM3 M3L A 72 -13.684 -5.303 6.512 1.00 0.00 C HETATM 0 HM33 M3L A 72 -13.582 -6.220 5.931 1.00 0.00 H new HETATM 0 HM32 M3L A 72 -14.296 -5.498 7.393 1.00 0.00 H new HETATM 0 HM31 M3L A 72 -14.162 -4.537 5.901 1.00 0.00 H new HETATM 0 HM23 M3L A 72 -10.600 -4.030 6.045 1.00 0.00 H new HETATM 0 HM22 M3L A 72 -11.377 -5.341 5.126 1.00 0.00 H new HETATM 0 HM21 M3L A 72 -12.110 -3.720 5.154 1.00 0.00 H new HETATM 0 HM13 M3L A 72 -13.133 -3.863 8.640 1.00 0.00 H new HETATM 0 HM12 M3L A 72 -11.565 -3.232 8.081 1.00 0.00 H new HETATM 0 HM11 M3L A 72 -13.050 -2.855 7.176 1.00 0.00 H new HETATM 0 HG3 M3L A 72 -9.800 -6.459 5.704 1.00 0.00 H new HETATM 0 HG2 M3L A 72 -9.802 -8.200 5.902 1.00 0.00 H new HETATM 0 HE3 M3L A 72 -12.254 -6.059 8.650 1.00 0.00 H new HETATM 0 HE2 M3L A 72 -10.710 -5.394 8.153 1.00 0.00 H new HETATM 0 HD3 M3L A 72 -12.026 -7.389 6.339 1.00 0.00 H new HETATM 0 HD2 M3L A 72 -11.345 -7.975 7.844 1.00 0.00 H new HETATM 0 HB3 M3L A 72 -8.957 -7.714 8.335 1.00 0.00 H new HETATM 0 HB2 M3L A 72 -8.603 -6.104 7.738 1.00 0.00 H new HETATM 0 HA M3L A 72 -6.587 -7.516 7.576 1.00 0.00 H new HETATM 0 H M3L A 72 -7.648 -6.107 5.366 1.00 0.00 H new ATOM 601 N LYS A 73 -7.681 -9.566 5.338 1.00 0.00 N ATOM 602 CA LYS A 73 -7.864 -10.941 4.913 1.00 0.00 C ATOM 603 C LYS A 73 -6.564 -11.420 4.284 1.00 0.00 C ATOM 604 O LYS A 73 -6.096 -12.523 4.554 1.00 0.00 O ATOM 605 CB LYS A 73 -9.002 -10.965 3.885 1.00 0.00 C ATOM 606 CG LYS A 73 -9.451 -12.378 3.476 1.00 0.00 C ATOM 607 CD LYS A 73 -9.538 -12.527 1.947 1.00 0.00 C ATOM 608 CE LYS A 73 -8.139 -12.682 1.327 1.00 0.00 C ATOM 609 NZ LYS A 73 -8.162 -12.700 -0.149 1.00 0.00 N ATOM 0 H LYS A 73 -7.753 -8.904 4.566 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.116 -11.594 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.858 -10.428 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.683 -10.425 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.750 -13.112 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.424 -12.593 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.149 -13.395 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.034 -11.655 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.505 -11.863 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.687 -13.605 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.768 -13.600 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.142 -12.602 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.591 -11.911 -0.515 1.00 0.00 H new ATOM 610 N TYR A 74 -6.020 -10.597 3.388 1.00 0.00 N ATOM 611 CA TYR A 74 -4.855 -10.955 2.601 1.00 0.00 C ATOM 612 C TYR A 74 -3.622 -11.119 3.494 1.00 0.00 C ATOM 613 O TYR A 74 -2.829 -12.035 3.267 1.00 0.00 O ATOM 614 CB TYR A 74 -4.666 -9.914 1.498 1.00 0.00 C ATOM 615 CG TYR A 74 -3.510 -10.204 0.562 1.00 0.00 C ATOM 616 CD1 TYR A 74 -2.206 -9.811 0.910 1.00 0.00 C ATOM 617 CD2 TYR A 74 -3.721 -10.943 -0.617 1.00 0.00 C ATOM 618 CE1 TYR A 74 -1.123 -10.130 0.080 1.00 0.00 C ATOM 619 CE2 TYR A 74 -2.628 -11.315 -1.419 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.332 -10.914 -1.065 1.00 0.00 C ATOM 621 OH TYR A 74 -0.265 -11.393 -1.755 1.00 0.00 O ATOM 0 H TYR A 74 -6.380 -9.663 3.192 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.004 -11.924 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.584 -9.849 0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.511 -8.938 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.038 -9.259 1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.723 -11.224 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.132 -9.774 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.786 -11.909 -2.307 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.571 -11.785 -2.599 1.00 0.00 H new ATOM 622 N ILE A 75 -3.460 -10.259 4.508 1.00 0.00 N ATOM 623 CA ILE A 75 -2.416 -10.451 5.519 1.00 0.00 C ATOM 624 C ILE A 75 -3.089 -11.026 6.774 1.00 0.00 C ATOM 625 O ILE A 75 -3.964 -10.370 7.339 1.00 0.00 O ATOM 626 CB ILE A 75 -1.638 -9.154 5.809 1.00 0.00 C ATOM 627 CG1 ILE A 75 -1.028 -8.506 4.555 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.531 -9.399 6.851 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.027 -9.334 3.815 1.00 0.00 C ATOM 0 H ILE A 75 -4.036 -9.429 4.648 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.664 -11.149 5.151 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.375 -8.454 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.835 -8.278 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.578 -7.556 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.004 -8.468 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.978 -9.755 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.165 -10.148 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.385 -8.777 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.862 -9.541 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.415 -10.274 3.484 1.00 0.00 H new ATOM 630 N PRO A 76 -2.728 -12.243 7.216 1.00 0.00 N ATOM 631 CA PRO A 76 -3.453 -12.953 8.260 1.00 0.00 C ATOM 632 C PRO A 76 -3.125 -12.384 9.646 1.00 0.00 C ATOM 633 O PRO A 76 -2.403 -13.005 10.423 1.00 0.00 O ATOM 634 CB PRO A 76 -3.032 -14.420 8.103 1.00 0.00 C ATOM 635 CG PRO A 76 -1.600 -14.308 7.579 1.00 0.00 C ATOM 636 CD PRO A 76 -1.677 -13.088 6.664 1.00 0.00 C ATOM 0 HA PRO A 76 -4.534 -12.846 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.075 -14.957 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.677 -14.953 7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.882 -14.165 8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.295 -15.203 7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.724 -12.559 6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -1.908 -13.381 5.640 1.00 0.00 H new ATOM 637 N GLY A 77 -3.672 -11.206 9.957 1.00 0.00 N ATOM 638 CA GLY A 77 -3.496 -10.535 11.240 1.00 0.00 C ATOM 639 C GLY A 77 -2.714 -9.246 11.029 1.00 0.00 C ATOM 640 O GLY A 77 -1.507 -9.201 11.253 1.00 0.00 O ATOM 0 H GLY A 77 -4.261 -10.684 9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.466 -10.317 11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.966 -11.186 11.935 1.00 0.00 H new ATOM 641 N THR A 78 -3.403 -8.203 10.568 1.00 0.00 N ATOM 642 CA THR A 78 -2.805 -6.947 10.153 1.00 0.00 C ATOM 643 C THR A 78 -3.646 -5.808 10.724 1.00 0.00 C ATOM 644 O THR A 78 -4.863 -5.947 10.852 1.00 0.00 O ATOM 645 CB THR A 78 -2.730 -6.946 8.618 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.039 -5.837 8.116 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.091 -6.991 7.924 1.00 0.00 C ATOM 0 H THR A 78 -4.418 -8.214 10.473 1.00 0.00 H new ATOM 0 HA THR A 78 -1.790 -6.815 10.529 1.00 0.00 H new ATOM 0 HB THR A 78 -2.192 -7.867 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.016 -5.881 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.949 -6.987 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.619 -7.898 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.677 -6.120 8.216 1.00 0.00 H new ATOM 648 N LYS A 79 -3.016 -4.687 11.085 1.00 0.00 N ATOM 649 CA LYS A 79 -3.732 -3.517 11.580 1.00 0.00 C ATOM 650 C LYS A 79 -4.475 -2.807 10.436 1.00 0.00 C ATOM 651 O LYS A 79 -5.359 -1.984 10.675 1.00 0.00 O ATOM 652 CB LYS A 79 -2.727 -2.612 12.305 1.00 0.00 C ATOM 653 CG LYS A 79 -3.373 -1.358 12.906 1.00 0.00 C ATOM 654 CD LYS A 79 -2.351 -0.638 13.799 1.00 0.00 C ATOM 655 CE LYS A 79 -2.769 0.800 14.135 1.00 0.00 C ATOM 656 NZ LYS A 79 -4.101 0.874 14.768 1.00 0.00 N ATOM 0 H LYS A 79 -2.004 -4.569 11.042 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.505 -3.807 12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.242 -3.180 13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.947 -2.312 11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.711 -0.693 12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.253 -1.632 13.488 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.223 -1.200 14.724 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.383 -0.623 13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.029 1.242 14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.772 1.396 13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.290 1.852 15.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.827 0.573 14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.126 0.249 15.599 1.00 0.00 H new ATOM 657 N ALA A 80 -4.106 -3.105 9.189 1.00 0.00 N ATOM 658 CA ALA A 80 -4.724 -2.557 7.996 1.00 0.00 C ATOM 659 C ALA A 80 -6.180 -3.008 7.863 1.00 0.00 C ATOM 660 O ALA A 80 -6.465 -4.055 7.284 1.00 0.00 O ATOM 661 CB ALA A 80 -3.915 -3.003 6.784 1.00 0.00 C ATOM 0 H ALA A 80 -3.346 -3.754 8.983 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.730 -1.469 8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.366 -2.600 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.892 -2.637 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.907 -4.092 6.732 1.00 0.00 H new ATOM 662 N ALA A 81 -7.107 -2.199 8.382 1.00 0.00 N ATOM 663 CA ALA A 81 -8.537 -2.481 8.375 1.00 0.00 C ATOM 664 C ALA A 81 -9.331 -1.355 7.699 1.00 0.00 C ATOM 665 O ALA A 81 -10.425 -1.022 8.151 1.00 0.00 O ATOM 666 CB ALA A 81 -8.983 -2.702 9.826 1.00 0.00 C ATOM 0 H ALA A 81 -6.875 -1.311 8.828 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.735 -3.379 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.052 -2.915 9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.435 -3.543 10.251 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.779 -1.804 10.410 1.00 0.00 H new ATOM 667 N PHE A 82 -8.805 -0.764 6.619 1.00 0.00 N ATOM 668 CA PHE A 82 -9.497 0.324 5.928 1.00 0.00 C ATOM 669 C PHE A 82 -10.595 -0.210 4.994 1.00 0.00 C ATOM 670 O PHE A 82 -10.747 -1.420 4.806 1.00 0.00 O ATOM 671 CB PHE A 82 -8.497 1.265 5.228 1.00 0.00 C ATOM 672 CG PHE A 82 -8.226 0.982 3.761 1.00 0.00 C ATOM 673 CD1 PHE A 82 -7.301 -0.009 3.391 1.00 0.00 C ATOM 674 CD2 PHE A 82 -8.918 1.693 2.760 1.00 0.00 C ATOM 675 CE1 PHE A 82 -7.133 -0.348 2.037 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.775 1.332 1.410 1.00 0.00 C ATOM 677 CZ PHE A 82 -7.904 0.291 1.051 1.00 0.00 C ATOM 0 H PHE A 82 -7.907 -1.021 6.209 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.012 0.931 6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.867 2.286 5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.550 1.221 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.718 -0.511 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.560 2.518 3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.411 -1.100 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.335 1.855 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.827 -0.018 0.019 1.00 0.00 H new ATOM 678 N GLY A 83 -11.371 0.706 4.404 1.00 0.00 N ATOM 679 CA GLY A 83 -12.415 0.402 3.436 1.00 0.00 C ATOM 680 C GLY A 83 -11.841 -0.112 2.113 1.00 0.00 C ATOM 681 O GLY A 83 -11.796 0.627 1.131 1.00 0.00 O ATOM 0 H GLY A 83 -11.283 1.704 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.089 -0.346 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.008 1.297 3.250 1.00 0.00 H new ATOM 682 N GLY A 84 -11.428 -1.383 2.116 1.00 0.00 N ATOM 683 CA GLY A 84 -10.901 -2.158 0.995 1.00 0.00 C ATOM 684 C GLY A 84 -11.388 -1.714 -0.398 1.00 0.00 C ATOM 685 O GLY A 84 -12.596 -1.632 -0.636 1.00 0.00 O ATOM 0 H GLY A 84 -11.457 -1.938 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.813 -2.103 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.170 -3.204 1.140 1.00 0.00 H new ATOM 686 N LEU A 85 -10.456 -1.452 -1.325 1.00 0.00 N ATOM 687 CA LEU A 85 -10.741 -0.989 -2.689 1.00 0.00 C ATOM 688 C LEU A 85 -11.577 -2.012 -3.479 1.00 0.00 C ATOM 689 O LEU A 85 -11.429 -3.213 -3.306 1.00 0.00 O ATOM 690 CB LEU A 85 -9.430 -0.707 -3.448 1.00 0.00 C ATOM 691 CG LEU A 85 -8.606 0.520 -3.021 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.461 0.750 -4.024 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.438 1.802 -2.906 1.00 0.00 C ATOM 0 H LEU A 85 -9.458 -1.559 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.320 -0.070 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.793 -1.587 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.672 -0.597 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.216 0.301 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.879 1.620 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.816 -0.128 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.876 0.922 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.794 2.627 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.889 2.031 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.223 1.661 -2.163 1.00 0.00 H new ATOM 694 N LYS A 86 -12.443 -1.558 -4.392 1.00 0.00 N ATOM 695 CA LYS A 86 -13.266 -2.438 -5.229 1.00 0.00 C ATOM 696 C LYS A 86 -12.978 -2.193 -6.712 1.00 0.00 C ATOM 697 O LYS A 86 -12.703 -3.134 -7.455 1.00 0.00 O ATOM 698 CB LYS A 86 -14.755 -2.223 -4.898 1.00 0.00 C ATOM 699 CG LYS A 86 -15.362 -3.323 -4.011 1.00 0.00 C ATOM 700 CD LYS A 86 -14.539 -3.601 -2.745 1.00 0.00 C ATOM 701 CE LYS A 86 -15.313 -4.384 -1.678 1.00 0.00 C ATOM 702 NZ LYS A 86 -16.268 -3.529 -0.946 1.00 0.00 N ATOM 0 H LYS A 86 -12.593 -0.565 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.015 -3.477 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.871 -1.262 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.320 -2.168 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.372 -3.033 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.447 -4.242 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.644 -4.160 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.207 -2.654 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.851 -5.206 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.610 -4.827 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.769 -4.099 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.753 -2.759 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.956 -3.126 -1.614 1.00 0.00 H new ATOM 703 N LYS A 87 -13.044 -0.933 -7.144 1.00 0.00 N ATOM 704 CA LYS A 87 -12.894 -0.544 -8.538 1.00 0.00 C ATOM 705 C LYS A 87 -11.625 -1.097 -9.210 1.00 0.00 C ATOM 706 O LYS A 87 -10.679 -1.536 -8.552 1.00 0.00 O ATOM 707 CB LYS A 87 -12.860 0.977 -8.619 1.00 0.00 C ATOM 708 CG LYS A 87 -14.195 1.695 -8.365 1.00 0.00 C ATOM 709 CD LYS A 87 -13.849 3.179 -8.516 1.00 0.00 C ATOM 710 CE LYS A 87 -14.995 4.173 -8.715 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.434 5.496 -9.074 1.00 0.00 N ATOM 0 H LYS A 87 -13.206 -0.143 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.744 -0.968 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.130 1.343 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.500 1.260 -9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.957 1.387 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.585 1.475 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.295 3.483 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.172 3.278 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.664 3.823 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.587 4.251 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.209 6.154 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.881 5.867 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.818 5.398 -9.906 1.00 0.00 H new ATOM 712 N GLU A 88 -11.619 -1.015 -10.544 1.00 0.00 N ATOM 713 CA GLU A 88 -10.509 -1.374 -11.415 1.00 0.00 C ATOM 714 C GLU A 88 -9.787 -0.098 -11.887 1.00 0.00 C ATOM 715 O GLU A 88 -8.571 0.003 -11.763 1.00 0.00 O ATOM 716 CB GLU A 88 -11.071 -2.243 -12.555 1.00 0.00 C ATOM 717 CG GLU A 88 -10.019 -3.094 -13.281 1.00 0.00 C ATOM 718 CD GLU A 88 -9.166 -2.311 -14.265 1.00 0.00 C ATOM 719 OE1 GLU A 88 -9.724 -1.415 -14.937 1.00 0.00 O ATOM 720 OE2 GLU A 88 -7.959 -2.624 -14.359 1.00 0.00 O ATOM 0 H GLU A 88 -12.429 -0.680 -11.065 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.750 -1.962 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.837 -2.903 -12.149 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.561 -1.595 -13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.368 -3.559 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.523 -3.901 -13.814 1.00 0.00 H new ATOM 721 N LYS A 89 -10.527 0.904 -12.382 1.00 0.00 N ATOM 722 CA LYS A 89 -9.936 2.102 -12.979 1.00 0.00 C ATOM 723 C LYS A 89 -9.179 2.942 -11.944 1.00 0.00 C ATOM 724 O LYS A 89 -7.963 3.091 -12.041 1.00 0.00 O ATOM 725 CB LYS A 89 -10.980 2.929 -13.734 1.00 0.00 C ATOM 726 CG LYS A 89 -11.217 2.445 -15.174 1.00 0.00 C ATOM 727 CD LYS A 89 -11.980 1.115 -15.250 1.00 0.00 C ATOM 728 CE LYS A 89 -11.965 0.510 -16.661 1.00 0.00 C ATOM 729 NZ LYS A 89 -10.642 -0.060 -16.993 1.00 0.00 N ATOM 0 H LYS A 89 -11.547 0.904 -12.378 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.201 1.768 -13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.923 2.897 -13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.660 3.971 -13.757 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.774 3.207 -15.719 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.256 2.333 -15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.539 0.406 -14.549 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.012 1.273 -14.937 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.725 -0.268 -16.733 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.225 1.278 -17.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.695 -0.549 -17.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.939 0.704 -17.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.361 -0.737 -16.255 1.00 0.00 H new ATOM 730 N ASP A 90 -9.893 3.477 -10.946 1.00 0.00 N ATOM 731 CA ASP A 90 -9.313 4.233 -9.845 1.00 0.00 C ATOM 732 C ASP A 90 -8.091 3.511 -9.288 1.00 0.00 C ATOM 733 O ASP A 90 -7.042 4.106 -9.063 1.00 0.00 O ATOM 734 CB ASP A 90 -10.350 4.356 -8.724 1.00 0.00 C ATOM 735 CG ASP A 90 -11.538 5.255 -9.028 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.071 5.183 -10.158 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.088 5.855 -8.076 1.00 0.00 O ATOM 0 H ASP A 90 -10.908 3.391 -10.886 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.018 5.216 -10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.722 3.360 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.851 4.732 -7.831 1.00 0.00 H new ATOM 738 N ARG A 91 -8.260 2.211 -9.053 1.00 0.00 N ATOM 739 CA ARG A 91 -7.200 1.331 -8.599 1.00 0.00 C ATOM 740 C ARG A 91 -6.000 1.371 -9.535 1.00 0.00 C ATOM 741 O ARG A 91 -4.896 1.604 -9.070 1.00 0.00 O ATOM 742 CB ARG A 91 -7.739 -0.083 -8.420 1.00 0.00 C ATOM 743 CG ARG A 91 -6.688 -1.051 -7.893 1.00 0.00 C ATOM 744 CD ARG A 91 -7.255 -2.124 -6.962 1.00 0.00 C ATOM 745 NE ARG A 91 -8.511 -2.708 -7.457 1.00 0.00 N ATOM 746 CZ ARG A 91 -9.037 -3.855 -7.007 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.341 -4.636 -6.183 1.00 0.00 N ATOM 748 NH2 ARG A 91 -10.280 -4.206 -7.347 1.00 0.00 N ATOM 0 H ARG A 91 -9.155 1.738 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.846 1.684 -7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.584 -0.061 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.116 -0.447 -9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.198 -1.536 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.922 -0.488 -7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.517 -2.916 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.426 -1.689 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.014 -2.208 -8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.403 -4.362 -5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.746 -5.508 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.834 -3.600 -7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.676 -5.080 -7.002 1.00 0.00 H new ATOM 749 N ASN A 92 -6.191 1.151 -10.834 1.00 0.00 N ATOM 750 CA ASN A 92 -5.105 1.290 -11.811 1.00 0.00 C ATOM 751 C ASN A 92 -4.414 2.641 -11.644 1.00 0.00 C ATOM 752 O ASN A 92 -3.193 2.675 -11.511 1.00 0.00 O ATOM 753 CB ASN A 92 -5.576 1.176 -13.267 1.00 0.00 C ATOM 754 CG ASN A 92 -6.076 -0.205 -13.650 1.00 0.00 C ATOM 755 OD1 ASN A 92 -5.836 -1.199 -12.967 1.00 0.00 O ATOM 756 ND2 ASN A 92 -6.787 -0.282 -14.767 1.00 0.00 N ATOM 0 H ASN A 92 -7.086 0.876 -11.238 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.421 0.466 -11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.373 1.900 -13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.752 1.448 -13.927 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.150 -1.183 -15.079 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.971 0.559 -15.314 1.00 0.00 H new ATOM 757 N ASP A 93 -5.165 3.753 -11.657 1.00 0.00 N ATOM 758 CA ASP A 93 -4.559 5.080 -11.540 1.00 0.00 C ATOM 759 C ASP A 93 -3.717 5.158 -10.261 1.00 0.00 C ATOM 760 O ASP A 93 -2.524 5.461 -10.314 1.00 0.00 O ATOM 761 CB ASP A 93 -5.616 6.191 -11.586 1.00 0.00 C ATOM 762 CG ASP A 93 -6.021 6.633 -12.990 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.115 6.951 -13.795 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.244 6.722 -13.224 1.00 0.00 O ATOM 0 H ASP A 93 -6.181 3.757 -11.746 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.904 5.236 -12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.506 5.849 -11.058 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.236 7.057 -11.043 1.00 0.00 H new ATOM 765 N LEU A 94 -4.336 4.853 -9.117 1.00 0.00 N ATOM 766 CA LEU A 94 -3.696 4.795 -7.807 1.00 0.00 C ATOM 767 C LEU A 94 -2.414 3.960 -7.871 1.00 0.00 C ATOM 768 O LEU A 94 -1.331 4.479 -7.610 1.00 0.00 O ATOM 769 CB LEU A 94 -4.719 4.304 -6.764 1.00 0.00 C ATOM 770 CG LEU A 94 -4.178 4.030 -5.349 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.202 5.097 -4.846 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.311 3.999 -4.328 1.00 0.00 C ATOM 0 H LEU A 94 -5.331 4.633 -9.080 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.377 5.788 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.513 5.047 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.175 3.388 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.666 3.072 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.863 4.837 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.344 5.150 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.703 6.065 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.902 3.804 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.825 4.960 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.016 3.211 -4.591 1.00 0.00 H new ATOM 773 N ILE A 95 -2.509 2.684 -8.241 1.00 0.00 N ATOM 774 CA ILE A 95 -1.365 1.797 -8.347 1.00 0.00 C ATOM 775 C ILE A 95 -0.301 2.381 -9.275 1.00 0.00 C ATOM 776 O ILE A 95 0.875 2.292 -8.947 1.00 0.00 O ATOM 777 CB ILE A 95 -1.799 0.375 -8.753 1.00 0.00 C ATOM 778 CG1 ILE A 95 -2.725 -0.258 -7.690 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.532 -0.480 -8.916 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.431 -1.505 -8.228 1.00 0.00 C ATOM 0 H ILE A 95 -3.395 2.237 -8.477 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.904 1.710 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.359 0.423 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.141 -0.522 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.468 0.473 -7.373 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.812 -1.493 -9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.103 -0.046 -9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.012 -0.508 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.073 -1.923 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.036 -1.236 -9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.687 -2.246 -8.521 1.00 0.00 H new ATOM 781 N THR A 96 -0.664 2.991 -10.406 1.00 0.00 N ATOM 782 CA THR A 96 0.326 3.616 -11.280 1.00 0.00 C ATOM 783 C THR A 96 1.067 4.718 -10.534 1.00 0.00 C ATOM 784 O THR A 96 2.298 4.734 -10.493 1.00 0.00 O ATOM 785 CB THR A 96 -0.323 4.185 -12.546 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.095 3.193 -13.173 1.00 0.00 O ATOM 787 CG2 THR A 96 0.760 4.642 -13.526 1.00 0.00 C ATOM 0 H THR A 96 -1.627 3.064 -10.734 1.00 0.00 H new ATOM 0 HA THR A 96 1.036 2.846 -11.582 1.00 0.00 H new ATOM 0 HB THR A 96 -0.953 5.029 -12.264 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.913 3.040 -12.656 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.292 5.045 -14.424 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.372 5.413 -13.058 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.389 3.793 -13.795 1.00 0.00 H new ATOM 788 N TYR A 97 0.308 5.656 -9.967 1.00 0.00 N ATOM 789 CA TYR A 97 0.878 6.761 -9.228 1.00 0.00 C ATOM 790 C TYR A 97 1.829 6.227 -8.160 1.00 0.00 C ATOM 791 O TYR A 97 2.966 6.679 -8.062 1.00 0.00 O ATOM 792 CB TYR A 97 -0.242 7.598 -8.599 1.00 0.00 C ATOM 793 CG TYR A 97 0.263 8.680 -7.669 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.928 9.800 -8.196 1.00 0.00 C ATOM 795 CD2 TYR A 97 0.177 8.507 -6.274 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.481 10.760 -7.332 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.728 9.470 -5.410 1.00 0.00 C ATOM 798 CZ TYR A 97 1.383 10.595 -5.942 1.00 0.00 C ATOM 799 OH TYR A 97 1.885 11.557 -5.119 1.00 0.00 O ATOM 0 H TYR A 97 -0.711 5.664 -10.012 1.00 0.00 H new ATOM 0 HA TYR A 97 1.444 7.402 -9.904 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.831 8.058 -9.393 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.911 6.938 -8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.014 9.923 -9.266 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.312 7.634 -5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.982 11.626 -7.738 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.648 9.346 -4.340 1.00 0.00 H new ATOM 0 HH TYR A 97 1.537 11.426 -4.212 1.00 0.00 H new ATOM 800 N LEU A 98 1.368 5.247 -7.379 1.00 0.00 N ATOM 801 CA LEU A 98 2.155 4.656 -6.308 1.00 0.00 C ATOM 802 C LEU A 98 3.418 4.010 -6.872 1.00 0.00 C ATOM 803 O LEU A 98 4.519 4.256 -6.395 1.00 0.00 O ATOM 804 CB LEU A 98 1.305 3.632 -5.535 1.00 0.00 C ATOM 805 CG LEU A 98 1.278 3.915 -4.020 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.137 4.310 -3.620 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.685 2.704 -3.185 1.00 0.00 C ATOM 0 H LEU A 98 0.436 4.844 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 98 2.461 5.440 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.286 3.643 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.701 2.631 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 98 1.995 4.713 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.169 4.513 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.434 5.204 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.822 3.496 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.647 2.962 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.000 1.879 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.699 2.404 -3.449 1.00 0.00 H new ATOM 808 N LYS A 99 3.255 3.186 -7.904 1.00 0.00 N ATOM 809 CA LYS A 99 4.325 2.508 -8.607 1.00 0.00 C ATOM 810 C LYS A 99 5.409 3.484 -9.042 1.00 0.00 C ATOM 811 O LYS A 99 6.590 3.192 -8.867 1.00 0.00 O ATOM 812 CB LYS A 99 3.732 1.712 -9.776 1.00 0.00 C ATOM 813 CG LYS A 99 4.811 0.990 -10.580 1.00 0.00 C ATOM 814 CD LYS A 99 4.139 -0.057 -11.481 1.00 0.00 C ATOM 815 CE LYS A 99 5.131 -0.807 -12.378 1.00 0.00 C ATOM 816 NZ LYS A 99 6.111 -1.593 -11.599 1.00 0.00 N ATOM 0 H LYS A 99 2.334 2.968 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 99 4.818 1.804 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.017 0.984 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.181 2.386 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.372 1.703 -11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.523 0.510 -9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.607 -0.776 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.394 0.435 -12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.583 -1.473 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.661 -0.092 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.738 -2.108 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.677 -0.953 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.608 -2.272 -10.992 1.00 0.00 H new ATOM 817 N LYS A 100 5.025 4.633 -9.601 1.00 0.00 N ATOM 818 CA LYS A 100 5.992 5.640 -9.985 1.00 0.00 C ATOM 819 C LYS A 100 6.600 6.255 -8.726 1.00 0.00 C ATOM 820 O LYS A 100 7.812 6.260 -8.559 1.00 0.00 O ATOM 821 CB LYS A 100 5.322 6.679 -10.897 1.00 0.00 C ATOM 822 CG LYS A 100 6.258 7.092 -12.044 1.00 0.00 C ATOM 823 CD LYS A 100 7.417 7.983 -11.556 1.00 0.00 C ATOM 824 CE LYS A 100 8.652 7.947 -12.464 1.00 0.00 C ATOM 825 NZ LYS A 100 8.413 8.515 -13.802 1.00 0.00 N ATOM 0 H LYS A 100 4.054 4.880 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 100 6.807 5.197 -10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.399 6.267 -11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.048 7.557 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.664 6.199 -12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.686 7.626 -12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.064 9.012 -11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.706 7.669 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.462 8.496 -11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.985 6.915 -12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.287 8.460 -14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.661 7.977 -14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.123 9.509 -13.710 1.00 0.00 H new ATOM 826 N ALA A 101 5.753 6.757 -7.831 1.00 0.00 N ATOM 827 CA ALA A 101 6.160 7.422 -6.595 1.00 0.00 C ATOM 828 C ALA A 101 6.981 6.520 -5.657 1.00 0.00 C ATOM 829 O ALA A 101 7.601 6.998 -4.710 1.00 0.00 O ATOM 830 CB ALA A 101 4.908 7.963 -5.909 1.00 0.00 C ATOM 0 H ALA A 101 4.741 6.712 -7.947 1.00 0.00 H new ATOM 0 HA ALA A 101 6.833 8.241 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.189 8.464 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.409 8.673 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.231 7.139 -5.685 1.00 0.00 H new ATOM 831 N SER A 102 6.991 5.211 -5.923 1.00 0.00 N ATOM 832 CA SER A 102 7.889 4.243 -5.317 1.00 0.00 C ATOM 833 C SER A 102 9.360 4.649 -5.522 1.00 0.00 C ATOM 834 O SER A 102 10.193 4.308 -4.684 1.00 0.00 O ATOM 835 CB SER A 102 7.589 2.851 -5.902 1.00 0.00 C ATOM 836 OG SER A 102 8.003 1.802 -5.043 1.00 0.00 O ATOM 0 H SER A 102 6.348 4.788 -6.592 1.00 0.00 H new ATOM 0 HA SER A 102 7.724 4.213 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.519 2.762 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.091 2.748 -6.864 1.00 0.00 H new ATOM 0 HG SER A 102 8.535 1.154 -5.551 1.00 0.00 H new ATOM 837 N GLU A 103 9.663 5.315 -6.643 1.00 0.00 N ATOM 838 CA GLU A 103 10.969 5.846 -7.022 1.00 0.00 C ATOM 839 C GLU A 103 11.458 6.871 -5.986 1.00 0.00 C ATOM 840 O GLU A 103 12.674 6.866 -5.682 1.00 0.00 O ATOM 841 CB GLU A 103 10.805 6.463 -8.425 1.00 0.00 C ATOM 842 CG GLU A 103 12.084 6.824 -9.188 1.00 0.00 C ATOM 843 CD GLU A 103 11.740 7.370 -10.574 1.00 0.00 C ATOM 844 OE1 GLU A 103 11.117 6.613 -11.352 1.00 0.00 O ATOM 845 OE2 GLU A 103 12.064 8.547 -10.838 1.00 0.00 O ATOM 846 OXT GLU A 103 10.608 7.646 -5.489 1.00 0.00 O ATOM 0 H GLU A 103 8.955 5.507 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 103 11.728 5.064 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.234 5.764 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.204 7.367 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.652 7.567 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.719 5.943 -9.284 1.00 0.00 H new TER 847 GLU A 103 HETATM 848 C CYN A 105 -3.507 -0.703 3.890 1.00 0.00 C HETATM 849 N CYN A 105 -4.337 -1.596 3.576 1.00 0.00 N HETATM 850 FE HEM A 104 -2.335 0.693 4.145 1.00 0.00 FE HETATM 851 CHA HEM A 104 0.062 -1.601 5.358 1.00 0.00 C HETATM 852 CHB HEM A 104 -1.067 0.342 0.955 1.00 0.00 C HETATM 853 CHC HEM A 104 -4.870 2.726 2.993 1.00 0.00 C HETATM 854 CHD HEM A 104 -3.364 1.262 7.411 1.00 0.00 C HETATM 855 NA HEM A 104 -0.806 -0.467 3.302 1.00 0.00 N HETATM 856 C1A HEM A 104 0.025 -1.333 3.986 1.00 0.00 C HETATM 857 C2A HEM A 104 0.922 -1.924 3.020 1.00 0.00 C HETATM 858 C3A HEM A 104 0.636 -1.349 1.802 1.00 0.00 C HETATM 859 C4A HEM A 104 -0.471 -0.429 1.977 1.00 0.00 C HETATM 860 CMA HEM A 104 1.346 -1.688 0.521 1.00 0.00 C HETATM 861 CAA HEM A 104 1.960 -3.009 3.267 1.00 0.00 C HETATM 862 CBA HEM A 104 3.323 -2.512 3.778 1.00 0.00 C HETATM 863 CGA HEM A 104 4.373 -3.622 3.927 1.00 0.00 C HETATM 864 O1A HEM A 104 5.378 -3.383 4.631 1.00 0.00 O HETATM 865 O2A HEM A 104 4.172 -4.715 3.354 1.00 0.00 O HETATM 866 NB HEM A 104 -2.880 1.407 2.295 1.00 0.00 N HETATM 867 C1B HEM A 104 -2.190 1.175 1.140 1.00 0.00 C HETATM 868 C2B HEM A 104 -2.820 1.976 0.105 1.00 0.00 C HETATM 869 C3B HEM A 104 -3.913 2.602 0.671 1.00 0.00 C HETATM 870 C4B HEM A 104 -3.938 2.243 2.069 1.00 0.00 C HETATM 871 CMB HEM A 104 -2.309 2.178 -1.306 1.00 0.00 C HETATM 872 CAB HEM A 104 -4.911 3.508 -0.030 1.00 0.00 C HETATM 873 CBB HEM A 104 -5.824 2.748 -0.986 1.00 0.00 C HETATM 874 NC HEM A 104 -3.887 1.750 5.040 1.00 0.00 N HETATM 875 C1C HEM A 104 -4.786 2.508 4.361 1.00 0.00 C HETATM 876 C2C HEM A 104 -5.625 3.171 5.326 1.00 0.00 C HETATM 877 C3C HEM A 104 -5.173 2.813 6.578 1.00 0.00 C HETATM 878 C4C HEM A 104 -4.090 1.869 6.382 1.00 0.00 C HETATM 879 CMC HEM A 104 -6.620 4.257 4.997 1.00 0.00 C HETATM 880 CAC HEM A 104 -5.567 3.456 7.895 1.00 0.00 C HETATM 881 CBC HEM A 104 -6.985 3.127 8.373 1.00 0.00 C HETATM 882 ND HEM A 104 -1.745 -0.025 6.039 1.00 0.00 N HETATM 883 C1D HEM A 104 -2.300 0.384 7.211 1.00 0.00 C HETATM 884 C2D HEM A 104 -1.584 -0.258 8.288 1.00 0.00 C HETATM 885 C3D HEM A 104 -0.646 -1.096 7.723 1.00 0.00 C HETATM 886 C4D HEM A 104 -0.742 -0.933 6.287 1.00 0.00 C HETATM 887 CMD HEM A 104 -1.862 -0.062 9.759 1.00 0.00 C HETATM 888 CAD HEM A 104 0.220 -2.099 8.466 1.00 0.00 C HETATM 889 CBD HEM A 104 -0.363 -3.508 8.361 1.00 0.00 C HETATM 890 CGD HEM A 104 0.042 -4.463 9.484 1.00 0.00 C HETATM 891 O1D HEM A 104 0.543 -5.561 9.144 1.00 0.00 O HETATM 892 O2D HEM A 104 -0.310 -4.156 10.643 1.00 0.00 O HETATM 0 HMA1 HEM A 104 2.383 -1.944 0.737 1.00 0.00 H new HETATM 0 HMA2 HEM A 104 1.316 -0.829 -0.150 1.00 0.00 H new HETATM 0 HMA3 HEM A 104 0.854 -2.537 0.046 1.00 0.00 H new HETATM 0 HMB1 HEM A 104 -3.152 2.337 -1.979 1.00 0.00 H new HETATM 0 HMB2 HEM A 104 -1.754 1.294 -1.622 1.00 0.00 H new HETATM 0 HMB3 HEM A 104 -1.653 3.048 -1.334 1.00 0.00 H new HETATM 0 HMC1 HEM A 104 -7.448 4.218 5.705 1.00 0.00 H new HETATM 0 HMC2 HEM A 104 -7.000 4.109 3.986 1.00 0.00 H new HETATM 0 HMC3 HEM A 104 -6.132 5.229 5.062 1.00 0.00 H new HETATM 0 HMD1 HEM A 104 -2.252 0.942 9.925 1.00 0.00 H new HETATM 0 HMD2 HEM A 104 -0.939 -0.191 10.324 1.00 0.00 H new HETATM 0 HMD3 HEM A 104 -2.596 -0.796 10.091 1.00 0.00 H new HETATM 0 HBB1 HEM A 104 -6.586 3.283 -1.553 1.00 0.00 H new HETATM 0 HBB2 HEM A 104 -5.714 1.670 -1.103 1.00 0.00 H new HETATM 0 HBC1 HEM A 104 -7.355 3.544 9.309 1.00 0.00 H new HETATM 0 HBC2 HEM A 104 -7.624 2.475 7.777 1.00 0.00 H new HETATM 0 HBA1 HEM A 104 3.183 -2.026 4.743 1.00 0.00 H new HETATM 0 HBA2 HEM A 104 3.703 -1.755 3.092 1.00 0.00 H new HETATM 0 HAA1 HEM A 104 2.117 -3.557 2.338 1.00 0.00 H new HETATM 0 HAA2 HEM A 104 1.556 -3.717 3.990 1.00 0.00 H new HETATM 0 HBD1 HEM A 104 -0.057 -3.941 7.409 1.00 0.00 H new HETATM 0 HBD2 HEM A 104 -1.450 -3.434 8.343 1.00 0.00 H new HETATM 0 HAD1 HEM A 104 0.299 -1.811 9.514 1.00 0.00 H new HETATM 0 HAD2 HEM A 104 1.230 -2.088 8.056 1.00 0.00 H new HETATM 0 HHA HEM A 104 0.743 -2.359 5.717 1.00 0.00 H new HETATM 0 HHB HEM A 104 -0.634 0.290 -0.033 1.00 0.00 H new HETATM 0 HHC HEM A 104 -5.704 3.302 2.620 1.00 0.00 H new HETATM 0 HHD HEM A 104 -3.646 1.488 8.429 1.00 0.00 H new HETATM 0 HAB HEM A 104 -4.968 4.584 0.133 1.00 0.00 H new HETATM 0 HAC HEM A 104 -4.893 4.102 8.458 1.00 0.00 H new