USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot -120:sc= -0.168 USER MOD Set 1.2: A 18 THR OG1 : rot 144:sc= 0.983 USER MOD Set 2.1: A 2 THR OG1 : rot -176:sc= 1.11 USER MOD Set 2.2: A 4 THR OG1 : rot -91:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 150:sc= -0.0362 USER MOD Single : A 8 MET CE :methyl 150:sc= -0.344 (180deg=-1.31!) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -0.161 (180deg=-0.678) USER MOD Single : A 13 CYS SG : rot -81:sc= -0.361! USER MOD Single : A 14 THR OG1 : rot 95:sc= -1.78! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -10.7! C(o=-11!,f=-8.7!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.169 (180deg=-0.808) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.129 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.646 K(o=-0.65,f=-1.4) USER MOD Single : A 50 THR OG1 : rot 75:sc= 0.907 USER MOD Single : A 51 MET CE :methyl -151:sc= -0.134 (180deg=-1.42) USER MOD Single : A 52 ASN : amide:sc= -3.27! C(o=-3.3!,f=-11!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 42:sc= 1.44 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00429 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 65 HIS : no HE2:sc= 0.181 K(o=0.18,f=-0.86) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.702) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 HIS : no HE2:sc= 0.962 K(o=0.96,f=-5.5!) USER MOD Single : A 70 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-3!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-2.5) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.104 -10.073 1.538 1.00 1.00 N ATOM 2 CA GLY A 1 72.641 -9.130 0.481 1.00 1.00 C ATOM 3 C GLY A 1 72.829 -7.696 0.960 1.00 1.00 C ATOM 4 O GLY A 1 71.858 -6.994 1.245 1.00 1.00 O ATOM 0 H1 GLY A 1 72.975 -11.052 1.211 1.00 1.00 H new ATOM 0 H2 GLY A 1 74.111 -9.904 1.737 1.00 1.00 H new ATOM 0 H3 GLY A 1 72.549 -9.922 2.405 1.00 1.00 H new ATOM 0 HA2 GLY A 1 73.203 -9.294 -0.439 1.00 1.00 H new ATOM 0 HA3 GLY A 1 71.591 -9.313 0.250 1.00 1.00 H new ATOM 10 N THR A 2 74.086 -7.265 1.047 1.00 1.00 N ATOM 11 CA THR A 2 74.396 -5.909 1.495 1.00 1.00 C ATOM 12 C THR A 2 74.130 -4.903 0.381 1.00 1.00 C ATOM 13 O THR A 2 74.006 -5.270 -0.786 1.00 1.00 O ATOM 14 CB THR A 2 75.861 -5.823 1.924 1.00 1.00 C ATOM 15 OG1 THR A 2 76.689 -6.295 0.870 1.00 1.00 O ATOM 16 CG2 THR A 2 76.081 -6.680 3.172 1.00 1.00 C ATOM 0 H THR A 2 74.902 -7.831 0.815 1.00 1.00 H new ATOM 0 HA THR A 2 73.755 -5.671 2.344 1.00 1.00 H new ATOM 0 HB THR A 2 76.114 -4.787 2.150 1.00 1.00 H new ATOM 0 HG1 THR A 2 77.624 -6.299 1.165 1.00 1.00 H new ATOM 0 HG21 THR A 2 77.126 -6.618 3.477 1.00 1.00 H new ATOM 0 HG22 THR A 2 75.445 -6.317 3.979 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.829 -7.717 2.950 1.00 1.00 H new ATOM 24 N LYS A 3 74.038 -3.627 0.762 1.00 1.00 N ATOM 25 CA LYS A 3 73.775 -2.537 -0.190 1.00 1.00 C ATOM 26 C LYS A 3 74.925 -2.385 -1.203 1.00 1.00 C ATOM 27 O LYS A 3 74.738 -1.771 -2.250 1.00 1.00 O ATOM 28 CB LYS A 3 73.397 -1.220 0.515 1.00 1.00 C ATOM 29 CG LYS A 3 72.425 -0.385 -0.339 1.00 1.00 C ATOM 30 CD LYS A 3 72.193 1.015 0.289 1.00 1.00 C ATOM 31 CE LYS A 3 71.221 0.921 1.471 1.00 1.00 C ATOM 32 NZ LYS A 3 70.879 2.294 1.936 1.00 1.00 N ATOM 0 H LYS A 3 74.142 -3.318 1.729 1.00 1.00 H new ATOM 0 HA LYS A 3 72.894 -2.812 -0.769 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.939 -1.440 1.480 1.00 1.00 H new ATOM 0 HB3 LYS A 3 74.298 -0.641 0.715 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.825 -0.273 -1.347 1.00 1.00 H new ATOM 0 HG3 LYS A 3 71.473 -0.909 -0.430 1.00 1.00 H new ATOM 0 HD2 LYS A 3 73.143 1.431 0.624 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.795 1.696 -0.463 1.00 1.00 H new ATOM 0 HE2 LYS A 3 70.317 0.390 1.172 1.00 1.00 H new ATOM 0 HE3 LYS A 3 71.672 0.351 2.283 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 70.220 2.235 2.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 71.745 2.785 2.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 70.433 2.822 1.159 1.00 1.00 H new ATOM 46 N THR A 4 76.085 -2.972 -0.950 1.00 1.00 N ATOM 47 CA THR A 4 77.166 -2.897 -1.944 1.00 1.00 C ATOM 48 C THR A 4 76.624 -3.344 -3.325 1.00 1.00 C ATOM 49 O THR A 4 76.697 -2.599 -4.303 1.00 1.00 O ATOM 50 CB THR A 4 78.256 -3.877 -1.511 1.00 1.00 C ATOM 51 OG1 THR A 4 77.674 -5.144 -1.242 1.00 1.00 O ATOM 52 CG2 THR A 4 78.946 -3.352 -0.250 1.00 1.00 C ATOM 0 H THR A 4 76.307 -3.490 -0.100 1.00 1.00 H new ATOM 0 HA THR A 4 77.552 -1.880 -2.015 1.00 1.00 H new ATOM 0 HB THR A 4 78.991 -3.978 -2.310 1.00 1.00 H new ATOM 0 HG1 THR A 4 77.424 -5.195 -0.296 1.00 1.00 H new ATOM 0 HG21 THR A 4 79.723 -4.052 0.058 1.00 1.00 H new ATOM 0 HG22 THR A 4 79.394 -2.381 -0.458 1.00 1.00 H new ATOM 0 HG23 THR A 4 78.213 -3.249 0.550 1.00 1.00 H new ATOM 60 N ASP A 5 76.079 -4.555 -3.376 1.00 1.00 N ATOM 61 CA ASP A 5 75.503 -5.136 -4.606 1.00 1.00 C ATOM 62 C ASP A 5 74.472 -4.227 -5.277 1.00 1.00 C ATOM 63 O ASP A 5 74.420 -4.117 -6.502 1.00 1.00 O ATOM 64 CB ASP A 5 74.757 -6.407 -4.208 1.00 1.00 C ATOM 65 CG ASP A 5 75.703 -7.369 -3.501 1.00 1.00 C ATOM 66 OD1 ASP A 5 76.873 -7.379 -3.845 1.00 1.00 O ATOM 67 OD2 ASP A 5 75.244 -8.084 -2.625 1.00 1.00 O ATOM 0 H ASP A 5 76.019 -5.172 -2.566 1.00 1.00 H new ATOM 0 HA ASP A 5 76.325 -5.301 -5.302 1.00 1.00 H new ATOM 0 HB2 ASP A 5 73.922 -6.158 -3.553 1.00 1.00 H new ATOM 0 HB3 ASP A 5 74.336 -6.883 -5.093 1.00 1.00 H new ATOM 72 N TYR A 6 73.662 -3.586 -4.457 1.00 1.00 N ATOM 73 CA TYR A 6 72.620 -2.676 -4.924 1.00 1.00 C ATOM 74 C TYR A 6 73.207 -1.447 -5.590 1.00 1.00 C ATOM 75 O TYR A 6 72.920 -1.153 -6.748 1.00 1.00 O ATOM 76 CB TYR A 6 71.808 -2.215 -3.694 1.00 1.00 C ATOM 77 CG TYR A 6 70.904 -3.346 -3.206 1.00 1.00 C ATOM 78 CD1 TYR A 6 71.465 -4.485 -2.622 1.00 1.00 C ATOM 79 CD2 TYR A 6 69.513 -3.254 -3.348 1.00 1.00 C ATOM 80 CE1 TYR A 6 70.642 -5.528 -2.178 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.691 -4.295 -2.905 1.00 1.00 C ATOM 82 CZ TYR A 6 69.255 -5.433 -2.320 1.00 1.00 C ATOM 83 OH TYR A 6 68.445 -6.462 -1.886 1.00 1.00 O ATOM 0 H TYR A 6 73.704 -3.678 -3.442 1.00 1.00 H new ATOM 0 HA TYR A 6 72.001 -3.199 -5.653 1.00 1.00 H new ATOM 0 HB2 TYR A 6 72.485 -1.910 -2.896 1.00 1.00 H new ATOM 0 HB3 TYR A 6 71.206 -1.344 -3.952 1.00 1.00 H new ATOM 0 HD1 TYR A 6 72.537 -4.561 -2.513 1.00 1.00 H new ATOM 0 HD2 TYR A 6 69.075 -2.377 -3.801 1.00 1.00 H new ATOM 0 HE1 TYR A 6 71.080 -6.406 -1.726 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.619 -4.220 -3.015 1.00 1.00 H new ATOM 0 HH TYR A 6 67.578 -6.100 -1.607 1.00 1.00 H new ATOM 93 N LEU A 7 73.993 -0.707 -4.831 1.00 1.00 N ATOM 94 CA LEU A 7 74.570 0.516 -5.334 1.00 1.00 C ATOM 95 C LEU A 7 75.526 0.258 -6.474 1.00 1.00 C ATOM 96 O LEU A 7 75.560 1.024 -7.423 1.00 1.00 O ATOM 97 CB LEU A 7 75.330 1.236 -4.202 1.00 1.00 C ATOM 98 CG LEU A 7 74.342 1.826 -3.151 1.00 1.00 C ATOM 99 CD1 LEU A 7 75.032 1.955 -1.784 1.00 1.00 C ATOM 100 CD2 LEU A 7 73.862 3.221 -3.580 1.00 1.00 C ATOM 0 H LEU A 7 74.243 -0.934 -3.868 1.00 1.00 H new ATOM 0 HA LEU A 7 73.753 1.136 -5.703 1.00 1.00 H new ATOM 0 HB2 LEU A 7 76.010 0.537 -3.715 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.941 2.036 -4.621 1.00 1.00 H new ATOM 0 HG LEU A 7 73.491 1.149 -3.080 1.00 1.00 H new ATOM 0 HD11 LEU A 7 74.330 2.368 -1.060 1.00 1.00 H new ATOM 0 HD12 LEU A 7 75.362 0.972 -1.449 1.00 1.00 H new ATOM 0 HD13 LEU A 7 75.894 2.616 -1.872 1.00 1.00 H new ATOM 0 HD21 LEU A 7 73.173 3.615 -2.832 1.00 1.00 H new ATOM 0 HD22 LEU A 7 74.719 3.889 -3.671 1.00 1.00 H new ATOM 0 HD23 LEU A 7 73.353 3.151 -4.541 1.00 1.00 H new ATOM 112 N MET A 8 76.349 -0.795 -6.380 1.00 1.00 N ATOM 113 CA MET A 8 77.321 -0.999 -7.462 1.00 1.00 C ATOM 114 C MET A 8 76.536 -1.350 -8.719 1.00 1.00 C ATOM 115 O MET A 8 76.657 -0.685 -9.746 1.00 1.00 O ATOM 116 CB MET A 8 78.336 -2.090 -7.106 1.00 1.00 C ATOM 117 CG MET A 8 79.324 -1.583 -6.032 1.00 1.00 C ATOM 118 SD MET A 8 80.737 -2.718 -5.921 1.00 1.00 S ATOM 119 CE MET A 8 81.474 -2.399 -7.547 1.00 1.00 C ATOM 0 H MET A 8 76.367 -1.477 -5.622 1.00 1.00 H new ATOM 0 HA MET A 8 77.902 -0.091 -7.624 1.00 1.00 H new ATOM 0 HB2 MET A 8 77.814 -2.974 -6.740 1.00 1.00 H new ATOM 0 HB3 MET A 8 78.884 -2.390 -7.999 1.00 1.00 H new ATOM 0 HG2 MET A 8 79.669 -0.580 -6.285 1.00 1.00 H new ATOM 0 HG3 MET A 8 78.823 -1.514 -5.066 1.00 1.00 H new ATOM 0 HE1 MET A 8 82.553 -2.546 -7.493 1.00 1.00 H new ATOM 0 HE2 MET A 8 81.050 -3.086 -8.280 1.00 1.00 H new ATOM 0 HE3 MET A 8 81.262 -1.373 -7.847 1.00 1.00 H new ATOM 129 N ARG A 9 75.782 -2.440 -8.651 1.00 1.00 N ATOM 130 CA ARG A 9 75.045 -2.921 -9.812 1.00 1.00 C ATOM 131 C ARG A 9 74.242 -1.784 -10.455 1.00 1.00 C ATOM 132 O ARG A 9 74.303 -1.594 -11.669 1.00 1.00 O ATOM 133 CB ARG A 9 74.115 -4.042 -9.331 1.00 1.00 C ATOM 134 CG ARG A 9 73.408 -4.736 -10.506 1.00 1.00 C ATOM 135 CD ARG A 9 72.245 -5.595 -9.978 1.00 1.00 C ATOM 136 NE ARG A 9 71.773 -6.499 -11.020 1.00 1.00 N ATOM 137 CZ ARG A 9 72.495 -7.549 -11.397 1.00 1.00 C ATOM 138 NH1 ARG A 9 73.644 -7.789 -10.827 1.00 1.00 N ATOM 139 NH2 ARG A 9 72.053 -8.342 -12.335 1.00 1.00 N ATOM 0 H ARG A 9 75.665 -3.005 -7.810 1.00 1.00 H new ATOM 0 HA ARG A 9 75.731 -3.296 -10.572 1.00 1.00 H new ATOM 0 HB2 ARG A 9 74.691 -4.776 -8.768 1.00 1.00 H new ATOM 0 HB3 ARG A 9 73.370 -3.630 -8.650 1.00 1.00 H new ATOM 0 HG2 ARG A 9 73.033 -3.991 -11.208 1.00 1.00 H new ATOM 0 HG3 ARG A 9 74.116 -5.361 -11.051 1.00 1.00 H new ATOM 0 HD2 ARG A 9 72.571 -6.168 -9.110 1.00 1.00 H new ATOM 0 HD3 ARG A 9 71.429 -4.952 -9.647 1.00 1.00 H new ATOM 0 HE ARG A 9 70.873 -6.322 -11.467 1.00 1.00 H new ATOM 0 HH11 ARG A 9 73.988 -7.171 -10.092 1.00 1.00 H new ATOM 0 HH12 ARG A 9 74.198 -8.595 -11.116 1.00 1.00 H new ATOM 0 HH21 ARG A 9 71.154 -8.156 -12.778 1.00 1.00 H new ATOM 0 HH22 ARG A 9 72.607 -9.148 -12.624 1.00 1.00 H new ATOM 153 N LEU A 10 73.520 -1.017 -9.655 1.00 1.00 N ATOM 154 CA LEU A 10 72.753 0.107 -10.192 1.00 1.00 C ATOM 155 C LEU A 10 73.678 1.194 -10.749 1.00 1.00 C ATOM 156 O LEU A 10 73.490 1.696 -11.856 1.00 1.00 O ATOM 157 CB LEU A 10 71.951 0.736 -9.029 1.00 1.00 C ATOM 158 CG LEU A 10 70.806 -0.199 -8.591 1.00 1.00 C ATOM 159 CD1 LEU A 10 70.195 0.361 -7.288 1.00 1.00 C ATOM 160 CD2 LEU A 10 69.713 -0.301 -9.698 1.00 1.00 C ATOM 0 H LEU A 10 73.445 -1.144 -8.646 1.00 1.00 H new ATOM 0 HA LEU A 10 72.109 -0.261 -10.991 1.00 1.00 H new ATOM 0 HB2 LEU A 10 72.614 0.928 -8.185 1.00 1.00 H new ATOM 0 HB3 LEU A 10 71.543 1.698 -9.340 1.00 1.00 H new ATOM 0 HG LEU A 10 71.199 -1.202 -8.424 1.00 1.00 H new ATOM 0 HD11 LEU A 10 69.382 -0.286 -6.960 1.00 1.00 H new ATOM 0 HD12 LEU A 10 70.962 0.401 -6.514 1.00 1.00 H new ATOM 0 HD13 LEU A 10 69.810 1.364 -7.469 1.00 1.00 H new ATOM 0 HD21 LEU A 10 68.917 -0.967 -9.363 1.00 1.00 H new ATOM 0 HD22 LEU A 10 69.300 0.689 -9.894 1.00 1.00 H new ATOM 0 HD23 LEU A 10 70.156 -0.696 -10.612 1.00 1.00 H new ATOM 172 N ARG A 11 74.577 1.634 -9.881 1.00 1.00 N ATOM 173 CA ARG A 11 75.436 2.780 -10.203 1.00 1.00 C ATOM 174 C ARG A 11 76.191 2.591 -11.531 1.00 1.00 C ATOM 175 O ARG A 11 76.588 3.570 -12.152 1.00 1.00 O ATOM 176 CB ARG A 11 76.381 3.108 -9.016 1.00 1.00 C ATOM 177 CG ARG A 11 77.289 4.389 -9.274 1.00 1.00 C ATOM 178 CD ARG A 11 77.020 5.487 -8.189 1.00 1.00 C ATOM 179 NE ARG A 11 77.316 4.957 -6.862 1.00 1.00 N ATOM 180 CZ ARG A 11 78.565 4.719 -6.476 1.00 1.00 C ATOM 181 NH1 ARG A 11 79.557 4.954 -7.290 1.00 1.00 N ATOM 182 NH2 ARG A 11 78.799 4.247 -5.281 1.00 1.00 N ATOM 0 H ARG A 11 74.735 1.227 -8.959 1.00 1.00 H new ATOM 0 HA ARG A 11 74.792 3.647 -10.355 1.00 1.00 H new ATOM 0 HB2 ARG A 11 75.784 3.268 -8.118 1.00 1.00 H new ATOM 0 HB3 ARG A 11 77.023 2.249 -8.823 1.00 1.00 H new ATOM 0 HG2 ARG A 11 78.341 4.104 -9.257 1.00 1.00 H new ATOM 0 HG3 ARG A 11 77.084 4.793 -10.265 1.00 1.00 H new ATOM 0 HD2 ARG A 11 77.637 6.364 -8.386 1.00 1.00 H new ATOM 0 HD3 ARG A 11 75.980 5.811 -8.237 1.00 1.00 H new ATOM 0 HE ARG A 11 76.549 4.765 -6.218 1.00 1.00 H new ATOM 0 HH11 ARG A 11 79.374 5.321 -8.224 1.00 1.00 H new ATOM 0 HH12 ARG A 11 80.515 4.771 -6.992 1.00 1.00 H new ATOM 0 HH21 ARG A 11 78.023 4.061 -4.645 1.00 1.00 H new ATOM 0 HH22 ARG A 11 79.757 4.064 -4.984 1.00 1.00 H new ATOM 196 N LYS A 12 76.356 1.346 -12.016 1.00 1.00 N ATOM 197 CA LYS A 12 77.046 1.126 -13.321 1.00 1.00 C ATOM 198 C LYS A 12 76.011 1.043 -14.452 1.00 1.00 C ATOM 199 O LYS A 12 76.379 0.855 -15.610 1.00 1.00 O ATOM 200 CB LYS A 12 77.936 -0.147 -13.266 1.00 1.00 C ATOM 201 CG LYS A 12 79.349 0.198 -12.734 1.00 1.00 C ATOM 202 CD LYS A 12 79.243 0.766 -11.309 1.00 1.00 C ATOM 203 CE LYS A 12 80.652 1.010 -10.720 1.00 1.00 C ATOM 204 NZ LYS A 12 81.580 1.448 -11.802 1.00 1.00 N ATOM 0 H LYS A 12 76.037 0.497 -11.550 1.00 1.00 H new ATOM 0 HA LYS A 12 77.703 1.972 -13.523 1.00 1.00 H new ATOM 0 HB2 LYS A 12 77.472 -0.894 -12.622 1.00 1.00 H new ATOM 0 HB3 LYS A 12 78.013 -0.586 -14.260 1.00 1.00 H new ATOM 0 HG2 LYS A 12 79.976 -0.694 -12.734 1.00 1.00 H new ATOM 0 HG3 LYS A 12 79.828 0.925 -13.391 1.00 1.00 H new ATOM 0 HD2 LYS A 12 78.681 1.700 -11.324 1.00 1.00 H new ATOM 0 HD3 LYS A 12 78.692 0.072 -10.674 1.00 1.00 H new ATOM 0 HE2 LYS A 12 80.604 1.769 -9.939 1.00 1.00 H new ATOM 0 HE3 LYS A 12 81.025 0.098 -10.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 82.448 1.836 -11.379 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 81.821 0.634 -12.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 81.119 2.180 -12.379 1.00 1.00 H new ATOM 218 N CYS A 13 74.718 1.201 -14.128 1.00 1.00 N ATOM 219 CA CYS A 13 73.665 1.158 -15.162 1.00 1.00 C ATOM 220 C CYS A 13 74.084 2.006 -16.367 1.00 1.00 C ATOM 221 O CYS A 13 74.094 1.534 -17.504 1.00 1.00 O ATOM 222 CB CYS A 13 72.346 1.691 -14.592 1.00 1.00 C ATOM 223 SG CYS A 13 72.580 3.392 -14.023 1.00 1.00 S ATOM 0 H CYS A 13 74.378 1.357 -13.179 1.00 1.00 H new ATOM 0 HA CYS A 13 73.525 0.125 -15.479 1.00 1.00 H new ATOM 0 HB2 CYS A 13 71.567 1.655 -15.354 1.00 1.00 H new ATOM 0 HB3 CYS A 13 72.014 1.062 -13.766 1.00 1.00 H new ATOM 0 HG CYS A 13 73.119 3.384 -12.840 1.00 1.00 H new ATOM 229 N THR A 14 74.490 3.248 -16.083 1.00 1.00 N ATOM 230 CA THR A 14 74.990 4.178 -17.109 1.00 1.00 C ATOM 231 C THR A 14 73.881 4.968 -17.826 1.00 1.00 C ATOM 232 O THR A 14 74.186 5.943 -18.515 1.00 1.00 O ATOM 233 CB THR A 14 75.863 3.411 -18.149 1.00 1.00 C ATOM 234 OG1 THR A 14 76.483 2.309 -17.507 1.00 1.00 O ATOM 235 CG2 THR A 14 76.956 4.321 -18.735 1.00 1.00 C ATOM 0 H THR A 14 74.483 3.639 -15.141 1.00 1.00 H new ATOM 0 HA THR A 14 75.595 4.916 -16.582 1.00 1.00 H new ATOM 0 HB THR A 14 75.217 3.075 -18.960 1.00 1.00 H new ATOM 0 HG1 THR A 14 75.937 1.506 -17.636 1.00 1.00 H new ATOM 0 HG21 THR A 14 77.549 3.759 -19.457 1.00 1.00 H new ATOM 0 HG22 THR A 14 76.492 5.173 -19.231 1.00 1.00 H new ATOM 0 HG23 THR A 14 77.603 4.676 -17.933 1.00 1.00 H new ATOM 243 N THR A 15 72.601 4.571 -17.692 1.00 1.00 N ATOM 244 CA THR A 15 71.503 5.298 -18.374 1.00 1.00 C ATOM 245 C THR A 15 70.250 5.391 -17.495 1.00 1.00 C ATOM 246 O THR A 15 69.856 4.428 -16.837 1.00 1.00 O ATOM 247 CB THR A 15 71.165 4.580 -19.705 1.00 1.00 C ATOM 248 OG1 THR A 15 71.186 3.181 -19.489 1.00 1.00 O ATOM 249 CG2 THR A 15 72.207 4.922 -20.784 1.00 1.00 C ATOM 0 H THR A 15 72.302 3.772 -17.133 1.00 1.00 H new ATOM 0 HA THR A 15 71.839 6.316 -18.573 1.00 1.00 H new ATOM 0 HB THR A 15 70.181 4.907 -20.040 1.00 1.00 H new ATOM 0 HG1 THR A 15 71.858 2.770 -20.072 1.00 1.00 H new ATOM 0 HG21 THR A 15 71.953 4.409 -21.711 1.00 1.00 H new ATOM 0 HG22 THR A 15 72.213 5.998 -20.955 1.00 1.00 H new ATOM 0 HG23 THR A 15 73.194 4.602 -20.451 1.00 1.00 H new ATOM 257 N ILE A 16 69.635 6.565 -17.520 1.00 1.00 N ATOM 258 CA ILE A 16 68.420 6.772 -16.736 1.00 1.00 C ATOM 259 C ILE A 16 67.281 5.936 -17.331 1.00 1.00 C ATOM 260 O ILE A 16 66.667 5.134 -16.627 1.00 1.00 O ATOM 261 CB ILE A 16 68.016 8.262 -16.741 1.00 1.00 C ATOM 262 CG1 ILE A 16 69.091 9.105 -16.030 1.00 1.00 C ATOM 263 CG2 ILE A 16 66.668 8.439 -16.020 1.00 1.00 C ATOM 264 CD1 ILE A 16 68.878 10.592 -16.346 1.00 1.00 C ATOM 0 H ILE A 16 69.946 7.373 -18.060 1.00 1.00 H new ATOM 0 HA ILE A 16 68.611 6.464 -15.708 1.00 1.00 H new ATOM 0 HB ILE A 16 67.923 8.597 -17.774 1.00 1.00 H new ATOM 0 HG12 ILE A 16 69.041 8.942 -14.953 1.00 1.00 H new ATOM 0 HG13 ILE A 16 70.084 8.793 -16.354 1.00 1.00 H new ATOM 0 HG21 ILE A 16 66.388 9.492 -16.026 1.00 1.00 H new ATOM 0 HG22 ILE A 16 65.902 7.856 -16.532 1.00 1.00 H new ATOM 0 HG23 ILE A 16 66.758 8.094 -14.990 1.00 1.00 H new ATOM 0 HD11 ILE A 16 69.641 11.184 -15.841 1.00 1.00 H new ATOM 0 HD12 ILE A 16 68.950 10.749 -17.422 1.00 1.00 H new ATOM 0 HD13 ILE A 16 67.891 10.900 -16.000 1.00 1.00 H new ATOM 276 N ASP A 17 66.941 6.186 -18.586 1.00 1.00 N ATOM 277 CA ASP A 17 65.800 5.508 -19.199 1.00 1.00 C ATOM 278 C ASP A 17 65.890 3.987 -19.047 1.00 1.00 C ATOM 279 O ASP A 17 64.885 3.277 -19.053 1.00 1.00 O ATOM 280 CB ASP A 17 65.696 5.877 -20.682 1.00 1.00 C ATOM 281 CG ASP A 17 66.899 5.329 -21.443 1.00 1.00 C ATOM 282 OD1 ASP A 17 67.979 5.321 -20.877 1.00 1.00 O ATOM 283 OD2 ASP A 17 66.721 4.926 -22.580 1.00 1.00 O ATOM 0 H ASP A 17 67.428 6.843 -19.196 1.00 1.00 H new ATOM 0 HA ASP A 17 64.904 5.843 -18.677 1.00 1.00 H new ATOM 0 HB2 ASP A 17 64.775 5.473 -21.102 1.00 1.00 H new ATOM 0 HB3 ASP A 17 65.648 6.960 -20.793 1.00 1.00 H new ATOM 288 N THR A 18 67.130 3.521 -18.860 1.00 1.00 N ATOM 289 CA THR A 18 67.387 2.080 -18.641 1.00 1.00 C ATOM 290 C THR A 18 67.032 1.725 -17.204 1.00 1.00 C ATOM 291 O THR A 18 66.408 0.697 -16.940 1.00 1.00 O ATOM 292 CB THR A 18 68.827 1.693 -18.961 1.00 1.00 C ATOM 293 OG1 THR A 18 69.164 2.159 -20.261 1.00 1.00 O ATOM 294 CG2 THR A 18 68.981 0.173 -18.904 1.00 1.00 C ATOM 0 H THR A 18 67.966 4.106 -18.854 1.00 1.00 H new ATOM 0 HA THR A 18 66.759 1.511 -19.326 1.00 1.00 H new ATOM 0 HB THR A 18 69.494 2.147 -18.227 1.00 1.00 H new ATOM 0 HG1 THR A 18 70.100 2.448 -20.272 1.00 1.00 H new ATOM 0 HG21 THR A 18 70.012 -0.097 -19.134 1.00 1.00 H new ATOM 0 HG22 THR A 18 68.727 -0.181 -17.905 1.00 1.00 H new ATOM 0 HG23 THR A 18 68.314 -0.288 -19.633 1.00 1.00 H new ATOM 302 N LEU A 19 67.480 2.563 -16.273 1.00 1.00 N ATOM 303 CA LEU A 19 67.259 2.316 -14.845 1.00 1.00 C ATOM 304 C LEU A 19 65.817 1.855 -14.604 1.00 1.00 C ATOM 305 O LEU A 19 65.557 0.993 -13.784 1.00 1.00 O ATOM 306 CB LEU A 19 67.516 3.614 -14.055 1.00 1.00 C ATOM 307 CG LEU A 19 67.561 3.323 -12.519 1.00 1.00 C ATOM 308 CD1 LEU A 19 68.963 2.856 -12.089 1.00 1.00 C ATOM 309 CD2 LEU A 19 67.210 4.594 -11.723 1.00 1.00 C ATOM 0 H LEU A 19 67.997 3.418 -16.478 1.00 1.00 H new ATOM 0 HA LEU A 19 67.943 1.536 -14.511 1.00 1.00 H new ATOM 0 HB2 LEU A 19 68.458 4.060 -14.374 1.00 1.00 H new ATOM 0 HB3 LEU A 19 66.731 4.339 -14.271 1.00 1.00 H new ATOM 0 HG LEU A 19 66.835 2.537 -12.313 1.00 1.00 H new ATOM 0 HD11 LEU A 19 68.968 2.660 -11.017 1.00 1.00 H new ATOM 0 HD12 LEU A 19 69.223 1.944 -12.626 1.00 1.00 H new ATOM 0 HD13 LEU A 19 69.692 3.633 -12.319 1.00 1.00 H new ATOM 0 HD21 LEU A 19 67.245 4.376 -10.656 1.00 1.00 H new ATOM 0 HD22 LEU A 19 67.928 5.380 -11.957 1.00 1.00 H new ATOM 0 HD23 LEU A 19 66.208 4.927 -11.992 1.00 1.00 H new ATOM 321 N GLU A 20 64.914 2.377 -15.412 1.00 1.00 N ATOM 322 CA GLU A 20 63.515 1.963 -15.355 1.00 1.00 C ATOM 323 C GLU A 20 63.412 0.497 -15.777 1.00 1.00 C ATOM 324 O GLU A 20 62.789 -0.316 -15.095 1.00 1.00 O ATOM 325 CB GLU A 20 62.708 2.836 -16.316 1.00 1.00 C ATOM 326 CG GLU A 20 62.622 4.271 -15.768 1.00 1.00 C ATOM 327 CD GLU A 20 61.629 4.337 -14.609 1.00 1.00 C ATOM 328 OE1 GLU A 20 60.563 3.757 -14.735 1.00 1.00 O ATOM 329 OE2 GLU A 20 61.950 4.967 -13.615 1.00 1.00 O ATOM 0 H GLU A 20 65.118 3.087 -16.116 1.00 1.00 H new ATOM 0 HA GLU A 20 63.126 2.075 -14.343 1.00 1.00 H new ATOM 0 HB2 GLU A 20 63.177 2.840 -17.300 1.00 1.00 H new ATOM 0 HB3 GLU A 20 61.707 2.424 -16.442 1.00 1.00 H new ATOM 0 HG2 GLU A 20 63.606 4.599 -15.432 1.00 1.00 H new ATOM 0 HG3 GLU A 20 62.312 4.952 -16.560 1.00 1.00 H new ATOM 336 N ARG A 21 63.955 0.197 -16.945 1.00 1.00 N ATOM 337 CA ARG A 21 63.829 -1.161 -17.488 1.00 1.00 C ATOM 338 C ARG A 21 64.219 -2.201 -16.425 1.00 1.00 C ATOM 339 O ARG A 21 63.482 -3.163 -16.205 1.00 1.00 O ATOM 340 CB ARG A 21 64.722 -1.333 -18.722 1.00 1.00 C ATOM 341 CG ARG A 21 64.402 -2.682 -19.389 1.00 1.00 C ATOM 342 CD ARG A 21 65.226 -2.871 -20.671 1.00 1.00 C ATOM 343 NE ARG A 21 64.901 -4.156 -21.283 1.00 1.00 N ATOM 344 CZ ARG A 21 65.578 -4.613 -22.332 1.00 1.00 C ATOM 345 NH1 ARG A 21 66.546 -3.904 -22.845 1.00 1.00 N ATOM 346 NH2 ARG A 21 65.272 -5.771 -22.851 1.00 1.00 N ATOM 0 H ARG A 21 64.476 0.851 -17.529 1.00 1.00 H new ATOM 0 HA ARG A 21 62.789 -1.315 -17.777 1.00 1.00 H new ATOM 0 HB2 ARG A 21 64.554 -0.517 -19.425 1.00 1.00 H new ATOM 0 HB3 ARG A 21 65.773 -1.295 -18.434 1.00 1.00 H new ATOM 0 HG2 ARG A 21 64.613 -3.495 -18.694 1.00 1.00 H new ATOM 0 HG3 ARG A 21 63.339 -2.732 -19.625 1.00 1.00 H new ATOM 0 HD2 ARG A 21 65.018 -2.062 -21.371 1.00 1.00 H new ATOM 0 HD3 ARG A 21 66.290 -2.827 -20.440 1.00 1.00 H new ATOM 0 HE ARG A 21 64.139 -4.714 -20.898 1.00 1.00 H new ATOM 0 HH11 ARG A 21 66.784 -2.998 -22.441 1.00 1.00 H new ATOM 0 HH12 ARG A 21 67.065 -4.256 -23.650 1.00 1.00 H new ATOM 0 HH21 ARG A 21 64.514 -6.325 -22.452 1.00 1.00 H new ATOM 0 HH22 ARG A 21 65.791 -6.122 -23.656 1.00 1.00 H new ATOM 360 N VAL A 22 65.356 -2.016 -15.766 1.00 1.00 N ATOM 361 CA VAL A 22 65.790 -2.961 -14.733 1.00 1.00 C ATOM 362 C VAL A 22 64.826 -2.948 -13.521 1.00 1.00 C ATOM 363 O VAL A 22 64.440 -3.997 -13.010 1.00 1.00 O ATOM 364 CB VAL A 22 67.227 -2.574 -14.309 1.00 1.00 C ATOM 365 CG1 VAL A 22 67.643 -3.310 -13.023 1.00 1.00 C ATOM 366 CG2 VAL A 22 68.203 -2.928 -15.443 1.00 1.00 C ATOM 0 H VAL A 22 65.990 -1.233 -15.922 1.00 1.00 H new ATOM 0 HA VAL A 22 65.779 -3.977 -15.129 1.00 1.00 H new ATOM 0 HB VAL A 22 67.253 -1.502 -14.112 1.00 1.00 H new ATOM 0 HG11 VAL A 22 68.657 -3.019 -12.749 1.00 1.00 H new ATOM 0 HG12 VAL A 22 66.959 -3.047 -12.216 1.00 1.00 H new ATOM 0 HG13 VAL A 22 67.608 -4.386 -13.192 1.00 1.00 H new ATOM 0 HG21 VAL A 22 69.217 -2.657 -15.148 1.00 1.00 H new ATOM 0 HG22 VAL A 22 68.157 -3.999 -15.642 1.00 1.00 H new ATOM 0 HG23 VAL A 22 67.928 -2.380 -16.344 1.00 1.00 H new ATOM 376 N ILE A 23 64.538 -1.753 -13.019 1.00 1.00 N ATOM 377 CA ILE A 23 63.721 -1.632 -11.792 1.00 1.00 C ATOM 378 C ILE A 23 62.480 -2.564 -11.869 1.00 1.00 C ATOM 379 O ILE A 23 62.219 -3.311 -10.927 1.00 1.00 O ATOM 380 CB ILE A 23 63.307 -0.151 -11.534 1.00 1.00 C ATOM 381 CG1 ILE A 23 64.533 0.668 -11.032 1.00 1.00 C ATOM 382 CG2 ILE A 23 62.200 -0.079 -10.457 1.00 1.00 C ATOM 383 CD1 ILE A 23 64.292 2.168 -11.249 1.00 1.00 C ATOM 0 H ILE A 23 64.844 -0.867 -13.422 1.00 1.00 H new ATOM 0 HA ILE A 23 64.328 -1.950 -10.945 1.00 1.00 H new ATOM 0 HB ILE A 23 62.937 0.264 -12.472 1.00 1.00 H new ATOM 0 HG12 ILE A 23 64.704 0.469 -9.974 1.00 1.00 H new ATOM 0 HG13 ILE A 23 65.431 0.356 -11.565 1.00 1.00 H new ATOM 0 HG21 ILE A 23 61.923 0.962 -10.289 1.00 1.00 H new ATOM 0 HG22 ILE A 23 61.327 -0.637 -10.795 1.00 1.00 H new ATOM 0 HG23 ILE A 23 62.569 -0.511 -9.527 1.00 1.00 H new ATOM 0 HD11 ILE A 23 65.156 2.730 -10.894 1.00 1.00 H new ATOM 0 HD12 ILE A 23 64.143 2.363 -12.311 1.00 1.00 H new ATOM 0 HD13 ILE A 23 63.405 2.478 -10.696 1.00 1.00 H new ATOM 395 N GLU A 24 61.729 -2.535 -12.967 1.00 1.00 N ATOM 396 CA GLU A 24 60.545 -3.405 -13.101 1.00 1.00 C ATOM 397 C GLU A 24 60.935 -4.895 -12.954 1.00 1.00 C ATOM 398 O GLU A 24 60.159 -5.724 -12.482 1.00 1.00 O ATOM 399 CB GLU A 24 59.873 -3.158 -14.460 1.00 1.00 C ATOM 400 CG GLU A 24 58.721 -4.147 -14.672 1.00 1.00 C ATOM 401 CD GLU A 24 57.866 -3.716 -15.861 1.00 1.00 C ATOM 402 OE1 GLU A 24 58.202 -2.717 -16.477 1.00 1.00 O ATOM 403 OE2 GLU A 24 56.888 -4.391 -16.139 1.00 1.00 O ATOM 0 H GLU A 24 61.908 -1.932 -13.770 1.00 1.00 H new ATOM 0 HA GLU A 24 59.842 -3.163 -12.304 1.00 1.00 H new ATOM 0 HB2 GLU A 24 59.497 -2.136 -14.507 1.00 1.00 H new ATOM 0 HB3 GLU A 24 60.605 -3.265 -15.260 1.00 1.00 H new ATOM 0 HG2 GLU A 24 59.118 -5.147 -14.844 1.00 1.00 H new ATOM 0 HG3 GLU A 24 58.107 -4.199 -13.773 1.00 1.00 H new ATOM 410 N LYS A 25 62.163 -5.178 -13.357 1.00 1.00 N ATOM 411 CA LYS A 25 62.670 -6.560 -13.248 1.00 1.00 C ATOM 412 C LYS A 25 62.766 -6.906 -11.747 1.00 1.00 C ATOM 413 O LYS A 25 62.179 -7.885 -11.284 1.00 1.00 O ATOM 414 CB LYS A 25 64.030 -6.751 -13.984 1.00 1.00 C ATOM 415 CG LYS A 25 64.304 -8.266 -14.161 1.00 1.00 C ATOM 416 CD LYS A 25 65.638 -8.526 -14.908 1.00 1.00 C ATOM 417 CE LYS A 25 65.661 -7.807 -16.273 1.00 1.00 C ATOM 418 NZ LYS A 25 66.623 -8.503 -17.176 1.00 1.00 N ATOM 0 H LYS A 25 62.818 -4.503 -13.752 1.00 1.00 H new ATOM 0 HA LYS A 25 61.982 -7.245 -13.744 1.00 1.00 H new ATOM 0 HB2 LYS A 25 64.004 -6.258 -14.956 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.835 -6.288 -13.413 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.335 -8.746 -13.183 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.483 -8.722 -14.714 1.00 1.00 H new ATOM 0 HD2 LYS A 25 66.473 -8.181 -14.298 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.772 -9.598 -15.056 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.664 -7.806 -16.714 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.953 -6.765 -16.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.643 -8.023 -18.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.573 -8.482 -16.754 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.324 -9.491 -17.306 1.00 1.00 H new ATOM 432 N ASN A 26 63.499 -6.082 -11.007 1.00 1.00 N ATOM 433 CA ASN A 26 63.695 -6.235 -9.565 1.00 1.00 C ATOM 434 C ASN A 26 62.384 -6.362 -8.805 1.00 1.00 C ATOM 435 O ASN A 26 62.343 -6.816 -7.667 1.00 1.00 O ATOM 436 CB ASN A 26 64.400 -4.974 -9.072 1.00 1.00 C ATOM 437 CG ASN A 26 65.779 -4.904 -9.713 1.00 1.00 C ATOM 438 OD1 ASN A 26 66.768 -5.320 -9.108 1.00 1.00 O ATOM 439 ND2 ASN A 26 65.897 -4.440 -10.917 1.00 1.00 N ATOM 0 H ASN A 26 63.984 -5.273 -11.397 1.00 1.00 H new ATOM 0 HA ASN A 26 64.269 -7.145 -9.390 1.00 1.00 H new ATOM 0 HB2 ASN A 26 63.818 -4.090 -9.331 1.00 1.00 H new ATOM 0 HB3 ASN A 26 64.489 -4.991 -7.986 1.00 1.00 H new ATOM 0 HD21 ASN A 26 66.812 -4.418 -11.368 1.00 1.00 H new ATOM 0 HD22 ASN A 26 65.075 -4.097 -11.414 1.00 1.00 H new ATOM 446 N LYS A 27 61.352 -5.812 -9.409 1.00 1.00 N ATOM 447 CA LYS A 27 60.062 -5.705 -8.744 1.00 1.00 C ATOM 448 C LYS A 27 59.597 -7.008 -8.090 1.00 1.00 C ATOM 449 O LYS A 27 59.256 -6.976 -6.908 1.00 1.00 O ATOM 450 CB LYS A 27 59.018 -5.246 -9.757 1.00 1.00 C ATOM 451 CG LYS A 27 57.671 -4.953 -9.061 1.00 1.00 C ATOM 452 CD LYS A 27 56.749 -4.267 -10.070 1.00 1.00 C ATOM 453 CE LYS A 27 55.395 -3.976 -9.422 1.00 1.00 C ATOM 454 NZ LYS A 27 55.603 -3.287 -8.116 1.00 1.00 N ATOM 0 H LYS A 27 61.376 -5.432 -10.355 1.00 1.00 H new ATOM 0 HA LYS A 27 60.180 -4.980 -7.938 1.00 1.00 H new ATOM 0 HB2 LYS A 27 59.370 -4.351 -10.269 1.00 1.00 H new ATOM 0 HB3 LYS A 27 58.880 -6.015 -10.518 1.00 1.00 H new ATOM 0 HG2 LYS A 27 57.220 -5.878 -8.702 1.00 1.00 H new ATOM 0 HG3 LYS A 27 57.824 -4.314 -8.191 1.00 1.00 H new ATOM 0 HD2 LYS A 27 57.203 -3.339 -10.418 1.00 1.00 H new ATOM 0 HD3 LYS A 27 56.614 -4.904 -10.944 1.00 1.00 H new ATOM 0 HE2 LYS A 27 54.791 -3.352 -10.082 1.00 1.00 H new ATOM 0 HE3 LYS A 27 54.846 -4.905 -9.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 54.729 -2.795 -7.840 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 55.850 -3.988 -7.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 56.375 -2.596 -8.207 1.00 1.00 H new ATOM 468 N TYR A 28 59.528 -8.153 -8.794 1.00 1.00 N ATOM 469 CA TYR A 28 59.037 -9.393 -8.154 1.00 1.00 C ATOM 470 C TYR A 28 60.175 -10.297 -7.654 1.00 1.00 C ATOM 471 O TYR A 28 60.005 -11.001 -6.659 1.00 1.00 O ATOM 472 CB TYR A 28 58.210 -10.176 -9.194 1.00 1.00 C ATOM 473 CG TYR A 28 56.913 -9.450 -9.482 1.00 1.00 C ATOM 474 CD1 TYR A 28 55.773 -9.721 -8.713 1.00 1.00 C ATOM 475 CD2 TYR A 28 56.847 -8.512 -10.521 1.00 1.00 C ATOM 476 CE1 TYR A 28 54.571 -9.055 -8.982 1.00 1.00 C ATOM 477 CE2 TYR A 28 55.643 -7.846 -10.789 1.00 1.00 C ATOM 478 CZ TYR A 28 54.506 -8.119 -10.019 1.00 1.00 C ATOM 479 OH TYR A 28 53.320 -7.463 -10.283 1.00 1.00 O ATOM 0 H TYR A 28 59.796 -8.249 -9.774 1.00 1.00 H new ATOM 0 HA TYR A 28 58.442 -9.107 -7.287 1.00 1.00 H new ATOM 0 HB2 TYR A 28 58.783 -10.291 -10.114 1.00 1.00 H new ATOM 0 HB3 TYR A 28 58.000 -11.179 -8.822 1.00 1.00 H new ATOM 0 HD1 TYR A 28 55.822 -10.444 -7.912 1.00 1.00 H new ATOM 0 HD2 TYR A 28 57.724 -8.302 -11.115 1.00 1.00 H new ATOM 0 HE1 TYR A 28 53.694 -9.264 -8.388 1.00 1.00 H new ATOM 0 HE2 TYR A 28 55.592 -7.122 -11.589 1.00 1.00 H new ATOM 0 HH TYR A 28 53.447 -6.846 -11.034 1.00 1.00 H new ATOM 489 N GLU A 29 61.319 -10.308 -8.346 1.00 1.00 N ATOM 490 CA GLU A 29 62.432 -11.185 -7.934 1.00 1.00 C ATOM 491 C GLU A 29 63.098 -10.684 -6.652 1.00 1.00 C ATOM 492 O GLU A 29 63.964 -11.357 -6.093 1.00 1.00 O ATOM 493 CB GLU A 29 63.469 -11.328 -9.058 1.00 1.00 C ATOM 494 CG GLU A 29 64.205 -10.005 -9.263 1.00 1.00 C ATOM 495 CD GLU A 29 65.058 -10.068 -10.527 1.00 1.00 C ATOM 496 OE1 GLU A 29 64.893 -11.010 -11.283 1.00 1.00 O ATOM 497 OE2 GLU A 29 65.865 -9.171 -10.719 1.00 1.00 O ATOM 0 H GLU A 29 61.502 -9.738 -9.172 1.00 1.00 H new ATOM 0 HA GLU A 29 62.009 -12.168 -7.729 1.00 1.00 H new ATOM 0 HB2 GLU A 29 64.181 -12.115 -8.809 1.00 1.00 H new ATOM 0 HB3 GLU A 29 62.976 -11.626 -9.983 1.00 1.00 H new ATOM 0 HG2 GLU A 29 63.487 -9.189 -9.340 1.00 1.00 H new ATOM 0 HG3 GLU A 29 64.836 -9.794 -8.400 1.00 1.00 H new ATOM 504 N LEU A 30 62.658 -9.519 -6.161 1.00 1.00 N ATOM 505 CA LEU A 30 63.168 -8.932 -4.908 1.00 1.00 C ATOM 506 C LEU A 30 61.971 -8.918 -3.970 1.00 1.00 C ATOM 507 O LEU A 30 61.268 -9.927 -3.912 1.00 1.00 O ATOM 508 CB LEU A 30 63.727 -7.527 -5.195 1.00 1.00 C ATOM 509 CG LEU A 30 64.575 -6.980 -4.036 1.00 1.00 C ATOM 510 CD1 LEU A 30 65.824 -7.865 -3.775 1.00 1.00 C ATOM 511 CD2 LEU A 30 65.011 -5.550 -4.402 1.00 1.00 C ATOM 0 H LEU A 30 61.941 -8.955 -6.617 1.00 1.00 H new ATOM 0 HA LEU A 30 63.990 -9.491 -4.460 1.00 1.00 H new ATOM 0 HB2 LEU A 30 64.333 -7.559 -6.100 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.900 -6.844 -5.389 1.00 1.00 H new ATOM 0 HG LEU A 30 63.981 -6.984 -3.122 1.00 1.00 H new ATOM 0 HD11 LEU A 30 66.400 -7.447 -2.949 1.00 1.00 H new ATOM 0 HD12 LEU A 30 65.507 -8.877 -3.522 1.00 1.00 H new ATOM 0 HD13 LEU A 30 66.444 -7.893 -4.671 1.00 1.00 H new ATOM 0 HD21 LEU A 30 65.616 -5.136 -3.595 1.00 1.00 H new ATOM 0 HD22 LEU A 30 65.598 -5.572 -5.320 1.00 1.00 H new ATOM 0 HD23 LEU A 30 64.129 -4.927 -4.550 1.00 1.00 H new ATOM 523 N SER A 31 61.648 -7.810 -3.277 1.00 1.00 N ATOM 524 CA SER A 31 60.446 -7.819 -2.438 1.00 1.00 C ATOM 525 C SER A 31 60.141 -6.415 -1.952 1.00 1.00 C ATOM 526 O SER A 31 61.022 -5.564 -1.907 1.00 1.00 O ATOM 527 CB SER A 31 60.635 -8.756 -1.246 1.00 1.00 C ATOM 528 OG SER A 31 61.387 -8.091 -0.240 1.00 1.00 O ATOM 0 H SER A 31 62.177 -6.938 -3.281 1.00 1.00 H new ATOM 0 HA SER A 31 59.608 -8.179 -3.034 1.00 1.00 H new ATOM 0 HB2 SER A 31 59.666 -9.060 -0.850 1.00 1.00 H new ATOM 0 HB3 SER A 31 61.150 -9.664 -1.561 1.00 1.00 H new ATOM 0 HG SER A 31 61.509 -8.689 0.527 1.00 1.00 H new ATOM 534 N ASP A 32 58.908 -6.169 -1.592 1.00 1.00 N ATOM 535 CA ASP A 32 58.553 -4.836 -1.120 1.00 1.00 C ATOM 536 C ASP A 32 59.515 -4.389 0.011 1.00 1.00 C ATOM 537 O ASP A 32 60.101 -3.309 -0.046 1.00 1.00 O ATOM 538 CB ASP A 32 57.132 -4.890 -0.578 1.00 1.00 C ATOM 539 CG ASP A 32 56.691 -3.512 -0.094 1.00 1.00 C ATOM 540 OD1 ASP A 32 57.046 -2.537 -0.736 1.00 1.00 O ATOM 541 OD2 ASP A 32 56.001 -3.453 0.910 1.00 1.00 O ATOM 0 H ASP A 32 58.145 -6.846 -1.611 1.00 1.00 H new ATOM 0 HA ASP A 32 58.628 -4.123 -1.941 1.00 1.00 H new ATOM 0 HB2 ASP A 32 56.454 -5.243 -1.355 1.00 1.00 H new ATOM 0 HB3 ASP A 32 57.077 -5.605 0.243 1.00 1.00 H new ATOM 546 N ASP A 33 59.562 -5.186 1.082 1.00 1.00 N ATOM 547 CA ASP A 33 60.323 -4.853 2.301 1.00 1.00 C ATOM 548 C ASP A 33 61.750 -4.374 1.994 1.00 1.00 C ATOM 549 O ASP A 33 62.380 -3.559 2.667 1.00 1.00 O ATOM 550 CB ASP A 33 60.507 -6.177 3.062 1.00 1.00 C ATOM 551 CG ASP A 33 61.197 -5.922 4.398 1.00 1.00 C ATOM 552 OD1 ASP A 33 61.312 -4.767 4.774 1.00 1.00 O ATOM 553 OD2 ASP A 33 61.603 -6.886 5.026 1.00 1.00 O ATOM 0 H ASP A 33 59.076 -6.081 1.134 1.00 1.00 H new ATOM 0 HA ASP A 33 59.785 -4.071 2.837 1.00 1.00 H new ATOM 0 HB2 ASP A 33 59.538 -6.648 3.228 1.00 1.00 H new ATOM 0 HB3 ASP A 33 61.099 -6.870 2.464 1.00 1.00 H new ATOM 558 N GLU A 34 62.165 -5.007 0.911 1.00 1.00 N ATOM 559 CA GLU A 34 63.483 -4.845 0.301 1.00 1.00 C ATOM 560 C GLU A 34 63.535 -3.596 -0.581 1.00 1.00 C ATOM 561 O GLU A 34 64.511 -2.851 -0.557 1.00 1.00 O ATOM 562 CB GLU A 34 63.873 -6.119 -0.478 1.00 1.00 C ATOM 563 CG GLU A 34 64.321 -7.226 0.488 1.00 1.00 C ATOM 564 CD GLU A 34 64.644 -8.499 -0.288 1.00 1.00 C ATOM 565 OE1 GLU A 34 63.961 -8.765 -1.264 1.00 1.00 O ATOM 566 OE2 GLU A 34 65.570 -9.191 0.106 1.00 1.00 O ATOM 0 H GLU A 34 61.576 -5.673 0.411 1.00 1.00 H new ATOM 0 HA GLU A 34 64.218 -4.702 1.094 1.00 1.00 H new ATOM 0 HB2 GLU A 34 63.025 -6.465 -1.068 1.00 1.00 H new ATOM 0 HB3 GLU A 34 64.677 -5.892 -1.178 1.00 1.00 H new ATOM 0 HG2 GLU A 34 65.198 -6.899 1.047 1.00 1.00 H new ATOM 0 HG3 GLU A 34 63.535 -7.424 1.216 1.00 1.00 H new ATOM 573 N LEU A 35 62.533 -3.438 -1.434 1.00 1.00 N ATOM 574 CA LEU A 35 62.529 -2.355 -2.417 1.00 1.00 C ATOM 575 C LEU A 35 63.028 -1.028 -1.811 1.00 1.00 C ATOM 576 O LEU A 35 63.459 -0.150 -2.558 1.00 1.00 O ATOM 577 CB LEU A 35 61.071 -2.187 -2.985 1.00 1.00 C ATOM 578 CG LEU A 35 60.896 -2.767 -4.418 1.00 1.00 C ATOM 579 CD1 LEU A 35 61.853 -2.092 -5.434 1.00 1.00 C ATOM 580 CD2 LEU A 35 61.092 -4.296 -4.418 1.00 1.00 C ATOM 0 H LEU A 35 61.712 -4.043 -1.468 1.00 1.00 H new ATOM 0 HA LEU A 35 63.216 -2.615 -3.223 1.00 1.00 H new ATOM 0 HB2 LEU A 35 60.368 -2.680 -2.313 1.00 1.00 H new ATOM 0 HB3 LEU A 35 60.813 -1.128 -2.996 1.00 1.00 H new ATOM 0 HG LEU A 35 59.876 -2.548 -4.734 1.00 1.00 H new ATOM 0 HD11 LEU A 35 61.699 -2.525 -6.422 1.00 1.00 H new ATOM 0 HD12 LEU A 35 61.648 -1.022 -5.471 1.00 1.00 H new ATOM 0 HD13 LEU A 35 62.885 -2.253 -5.124 1.00 1.00 H new ATOM 0 HD21 LEU A 35 60.965 -4.679 -5.431 1.00 1.00 H new ATOM 0 HD22 LEU A 35 62.095 -4.534 -4.063 1.00 1.00 H new ATOM 0 HD23 LEU A 35 60.355 -4.757 -3.760 1.00 1.00 H new ATOM 592 N GLU A 36 62.971 -0.853 -0.484 1.00 1.00 N ATOM 593 CA GLU A 36 63.435 0.420 0.080 1.00 1.00 C ATOM 594 C GLU A 36 64.901 0.610 -0.341 1.00 1.00 C ATOM 595 O GLU A 36 65.383 1.695 -0.630 1.00 1.00 O ATOM 596 CB GLU A 36 63.318 0.416 1.609 1.00 1.00 C ATOM 597 CG GLU A 36 61.843 0.404 2.027 1.00 1.00 C ATOM 598 CD GLU A 36 61.736 0.540 3.542 1.00 1.00 C ATOM 599 OE1 GLU A 36 62.209 1.537 4.063 1.00 1.00 O ATOM 600 OE2 GLU A 36 61.185 -0.356 4.160 1.00 1.00 O ATOM 0 H GLU A 36 62.627 -1.538 0.189 1.00 1.00 H new ATOM 0 HA GLU A 36 62.819 1.239 -0.292 1.00 1.00 H new ATOM 0 HB2 GLU A 36 63.826 -0.457 2.018 1.00 1.00 H new ATOM 0 HB3 GLU A 36 63.813 1.295 2.021 1.00 1.00 H new ATOM 0 HG2 GLU A 36 61.311 1.221 1.541 1.00 1.00 H new ATOM 0 HG3 GLU A 36 61.370 -0.523 1.701 1.00 1.00 H new ATOM 607 N LEU A 37 65.558 -0.546 -0.333 1.00 1.00 N ATOM 608 CA LEU A 37 66.979 -0.645 -0.690 1.00 1.00 C ATOM 609 C LEU A 37 67.156 -0.033 -2.080 1.00 1.00 C ATOM 610 O LEU A 37 67.979 0.854 -2.279 1.00 1.00 O ATOM 611 CB LEU A 37 67.425 -2.129 -0.747 1.00 1.00 C ATOM 612 CG LEU A 37 67.459 -2.759 0.678 1.00 1.00 C ATOM 613 CD1 LEU A 37 67.333 -4.289 0.582 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.783 -2.429 1.393 1.00 1.00 C ATOM 0 H LEU A 37 65.129 -1.437 -0.082 1.00 1.00 H new ATOM 0 HA LEU A 37 67.579 -0.125 0.057 1.00 1.00 H new ATOM 0 HB2 LEU A 37 66.742 -2.693 -1.381 1.00 1.00 H new ATOM 0 HB3 LEU A 37 68.413 -2.198 -1.202 1.00 1.00 H new ATOM 0 HG LEU A 37 66.625 -2.344 1.244 1.00 1.00 H new ATOM 0 HD11 LEU A 37 67.358 -4.720 1.583 1.00 1.00 H new ATOM 0 HD12 LEU A 37 66.390 -4.547 0.099 1.00 1.00 H new ATOM 0 HD13 LEU A 37 68.161 -4.686 -0.004 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.783 -2.880 2.385 1.00 1.00 H new ATOM 0 HD22 LEU A 37 69.617 -2.826 0.815 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.887 -1.348 1.485 1.00 1.00 H new ATOM 626 N PHE A 38 66.395 -0.542 -3.030 1.00 1.00 N ATOM 627 CA PHE A 38 66.453 -0.107 -4.427 1.00 1.00 C ATOM 628 C PHE A 38 66.063 1.379 -4.600 1.00 1.00 C ATOM 629 O PHE A 38 66.632 2.098 -5.414 1.00 1.00 O ATOM 630 CB PHE A 38 65.479 -1.041 -5.243 1.00 1.00 C ATOM 631 CG PHE A 38 66.171 -1.667 -6.438 1.00 1.00 C ATOM 632 CD1 PHE A 38 67.100 -2.688 -6.233 1.00 1.00 C ATOM 633 CD2 PHE A 38 65.889 -1.225 -7.729 1.00 1.00 C ATOM 634 CE1 PHE A 38 67.754 -3.268 -7.318 1.00 1.00 C ATOM 635 CE2 PHE A 38 66.535 -1.802 -8.819 1.00 1.00 C ATOM 636 CZ PHE A 38 67.473 -2.823 -8.618 1.00 1.00 C ATOM 0 H PHE A 38 65.709 -1.278 -2.859 1.00 1.00 H new ATOM 0 HA PHE A 38 67.477 -0.188 -4.792 1.00 1.00 H new ATOM 0 HB2 PHE A 38 65.097 -1.827 -4.591 1.00 1.00 H new ATOM 0 HB3 PHE A 38 64.620 -0.463 -5.582 1.00 1.00 H new ATOM 0 HD1 PHE A 38 67.313 -3.029 -5.231 1.00 1.00 H new ATOM 0 HD2 PHE A 38 65.169 -0.435 -7.884 1.00 1.00 H new ATOM 0 HE1 PHE A 38 68.474 -4.057 -7.159 1.00 1.00 H new ATOM 0 HE2 PHE A 38 66.313 -1.462 -9.820 1.00 1.00 H new ATOM 0 HZ PHE A 38 67.979 -3.267 -9.463 1.00 1.00 H new ATOM 646 N TYR A 39 65.105 1.806 -3.793 1.00 1.00 N ATOM 647 CA TYR A 39 64.658 3.216 -3.835 1.00 1.00 C ATOM 648 C TYR A 39 65.660 4.110 -3.116 1.00 1.00 C ATOM 649 O TYR A 39 66.203 5.046 -3.706 1.00 1.00 O ATOM 650 CB TYR A 39 63.220 3.375 -3.315 1.00 1.00 C ATOM 651 CG TYR A 39 62.254 2.933 -4.406 1.00 1.00 C ATOM 652 CD1 TYR A 39 62.179 3.669 -5.600 1.00 1.00 C ATOM 653 CD2 TYR A 39 61.469 1.781 -4.244 1.00 1.00 C ATOM 654 CE1 TYR A 39 61.316 3.252 -6.625 1.00 1.00 C ATOM 655 CE2 TYR A 39 60.611 1.367 -5.271 1.00 1.00 C ATOM 656 CZ TYR A 39 60.536 2.102 -6.460 1.00 1.00 C ATOM 657 OH TYR A 39 59.690 1.692 -7.471 1.00 1.00 O ATOM 0 H TYR A 39 64.622 1.222 -3.110 1.00 1.00 H new ATOM 0 HA TYR A 39 64.628 3.541 -4.875 1.00 1.00 H new ATOM 0 HB2 TYR A 39 63.075 2.775 -2.416 1.00 1.00 H new ATOM 0 HB3 TYR A 39 63.030 4.413 -3.040 1.00 1.00 H new ATOM 0 HD1 TYR A 39 62.784 4.554 -5.729 1.00 1.00 H new ATOM 0 HD2 TYR A 39 61.526 1.213 -3.327 1.00 1.00 H new ATOM 0 HE1 TYR A 39 61.254 3.819 -7.542 1.00 1.00 H new ATOM 0 HE2 TYR A 39 60.007 0.480 -5.145 1.00 1.00 H new ATOM 0 HH TYR A 39 59.222 0.876 -7.195 1.00 1.00 H new ATOM 667 N SER A 40 65.906 3.825 -1.868 1.00 1.00 N ATOM 668 CA SER A 40 66.847 4.603 -1.083 1.00 1.00 C ATOM 669 C SER A 40 68.240 4.615 -1.728 1.00 1.00 C ATOM 670 O SER A 40 68.984 5.589 -1.612 1.00 1.00 O ATOM 671 CB SER A 40 66.930 3.979 0.306 1.00 1.00 C ATOM 672 OG SER A 40 67.591 4.873 1.191 1.00 1.00 O ATOM 0 H SER A 40 65.468 3.055 -1.362 1.00 1.00 H new ATOM 0 HA SER A 40 66.502 5.635 -1.028 1.00 1.00 H new ATOM 0 HB2 SER A 40 65.929 3.758 0.677 1.00 1.00 H new ATOM 0 HB3 SER A 40 67.469 3.033 0.259 1.00 1.00 H new ATOM 0 HG SER A 40 67.642 4.472 2.084 1.00 1.00 H new ATOM 678 N ALA A 41 68.586 3.501 -2.388 1.00 1.00 N ATOM 679 CA ALA A 41 69.921 3.385 -3.032 1.00 1.00 C ATOM 680 C ALA A 41 69.956 4.113 -4.381 1.00 1.00 C ATOM 681 O ALA A 41 70.816 4.961 -4.620 1.00 1.00 O ATOM 682 CB ALA A 41 70.312 1.920 -3.223 1.00 1.00 C ATOM 0 H ALA A 41 67.986 2.683 -2.494 1.00 1.00 H new ATOM 0 HA ALA A 41 70.643 3.858 -2.366 1.00 1.00 H new ATOM 0 HB1 ALA A 41 71.292 1.864 -3.696 1.00 1.00 H new ATOM 0 HB2 ALA A 41 70.348 1.424 -2.253 1.00 1.00 H new ATOM 0 HB3 ALA A 41 69.575 1.426 -3.856 1.00 1.00 H new ATOM 688 N ALA A 42 69.077 3.698 -5.284 1.00 1.00 N ATOM 689 CA ALA A 42 69.060 4.219 -6.654 1.00 1.00 C ATOM 690 C ALA A 42 69.082 5.750 -6.747 1.00 1.00 C ATOM 691 O ALA A 42 69.661 6.304 -7.677 1.00 1.00 O ATOM 692 CB ALA A 42 67.775 3.737 -7.337 1.00 1.00 C ATOM 0 H ALA A 42 68.360 2.998 -5.095 1.00 1.00 H new ATOM 0 HA ALA A 42 69.968 3.852 -7.133 1.00 1.00 H new ATOM 0 HB1 ALA A 42 67.743 4.114 -8.359 1.00 1.00 H new ATOM 0 HB2 ALA A 42 67.758 2.647 -7.352 1.00 1.00 H new ATOM 0 HB3 ALA A 42 66.910 4.106 -6.786 1.00 1.00 H new ATOM 698 N ASP A 43 68.431 6.436 -5.814 1.00 1.00 N ATOM 699 CA ASP A 43 68.387 7.901 -5.868 1.00 1.00 C ATOM 700 C ASP A 43 69.809 8.460 -5.975 1.00 1.00 C ATOM 701 O ASP A 43 70.088 9.335 -6.787 1.00 1.00 O ATOM 702 CB ASP A 43 67.670 8.447 -4.622 1.00 1.00 C ATOM 703 CG ASP A 43 67.187 9.879 -4.852 1.00 1.00 C ATOM 704 OD1 ASP A 43 67.344 10.369 -5.958 1.00 1.00 O ATOM 705 OD2 ASP A 43 66.661 10.461 -3.917 1.00 1.00 O ATOM 0 H ASP A 43 67.936 6.018 -5.027 1.00 1.00 H new ATOM 0 HA ASP A 43 67.829 8.217 -6.749 1.00 1.00 H new ATOM 0 HB2 ASP A 43 66.822 7.808 -4.377 1.00 1.00 H new ATOM 0 HB3 ASP A 43 68.346 8.420 -3.768 1.00 1.00 H new ATOM 710 N HIS A 44 70.677 7.962 -5.107 1.00 1.00 N ATOM 711 CA HIS A 44 72.071 8.417 -5.048 1.00 1.00 C ATOM 712 C HIS A 44 72.648 8.553 -6.470 1.00 1.00 C ATOM 713 O HIS A 44 73.335 9.522 -6.795 1.00 1.00 O ATOM 714 CB HIS A 44 72.876 7.384 -4.266 1.00 1.00 C ATOM 715 CG HIS A 44 72.411 7.363 -2.834 1.00 1.00 C ATOM 716 ND1 HIS A 44 71.966 6.204 -2.219 1.00 1.00 N ATOM 717 CD2 HIS A 44 72.310 8.352 -1.886 1.00 1.00 C ATOM 718 CE1 HIS A 44 71.622 6.519 -0.957 1.00 1.00 C ATOM 719 NE2 HIS A 44 71.812 7.816 -0.702 1.00 1.00 N ATOM 0 H HIS A 44 70.445 7.238 -4.427 1.00 1.00 H new ATOM 0 HA HIS A 44 72.123 9.390 -4.560 1.00 1.00 H new ATOM 0 HB2 HIS A 44 72.754 6.398 -4.714 1.00 1.00 H new ATOM 0 HB3 HIS A 44 73.938 7.625 -4.311 1.00 1.00 H new ATOM 0 HD2 HIS A 44 72.576 9.388 -2.037 1.00 1.00 H new ATOM 0 HE1 HIS A 44 71.239 5.810 -0.238 1.00 1.00 H new ATOM 0 HE2 HIS A 44 71.631 8.308 0.173 1.00 1.00 H new ATOM 728 N ARG A 45 72.350 7.562 -7.288 1.00 1.00 N ATOM 729 CA ARG A 45 72.794 7.476 -8.687 1.00 1.00 C ATOM 730 C ARG A 45 72.047 8.462 -9.633 1.00 1.00 C ATOM 731 O ARG A 45 72.443 8.653 -10.771 1.00 1.00 O ATOM 732 CB ARG A 45 72.600 6.011 -9.153 1.00 1.00 C ATOM 733 CG ARG A 45 72.855 5.821 -10.672 1.00 1.00 C ATOM 734 CD ARG A 45 74.270 6.291 -11.133 1.00 1.00 C ATOM 735 NE ARG A 45 74.518 5.818 -12.488 1.00 1.00 N ATOM 736 CZ ARG A 45 75.725 5.898 -13.035 1.00 1.00 C ATOM 737 NH1 ARG A 45 76.721 6.392 -12.352 1.00 1.00 N ATOM 738 NH2 ARG A 45 75.917 5.471 -14.252 1.00 1.00 N ATOM 0 H ARG A 45 71.778 6.768 -7.001 1.00 1.00 H new ATOM 0 HA ARG A 45 73.843 7.769 -8.737 1.00 1.00 H new ATOM 0 HB2 ARG A 45 73.276 5.365 -8.593 1.00 1.00 H new ATOM 0 HB3 ARG A 45 71.585 5.692 -8.918 1.00 1.00 H new ATOM 0 HG2 ARG A 45 72.732 4.768 -10.923 1.00 1.00 H new ATOM 0 HG3 ARG A 45 72.099 6.373 -11.230 1.00 1.00 H new ATOM 0 HD2 ARG A 45 74.334 7.379 -11.098 1.00 1.00 H new ATOM 0 HD3 ARG A 45 75.032 5.905 -10.456 1.00 1.00 H new ATOM 0 HE ARG A 45 73.750 5.418 -13.027 1.00 1.00 H new ATOM 0 HH11 ARG A 45 76.573 6.717 -11.397 1.00 1.00 H new ATOM 0 HH12 ARG A 45 77.648 6.453 -12.773 1.00 1.00 H new ATOM 0 HH21 ARG A 45 75.140 5.076 -14.782 1.00 1.00 H new ATOM 0 HH22 ARG A 45 76.844 5.532 -14.674 1.00 1.00 H new ATOM 752 N LEU A 46 70.958 9.085 -9.191 1.00 1.00 N ATOM 753 CA LEU A 46 70.221 10.016 -10.085 1.00 1.00 C ATOM 754 C LEU A 46 70.906 11.405 -10.260 1.00 1.00 C ATOM 755 O LEU A 46 71.037 11.886 -11.384 1.00 1.00 O ATOM 756 CB LEU A 46 68.772 10.169 -9.578 1.00 1.00 C ATOM 757 CG LEU A 46 67.869 10.940 -10.624 1.00 1.00 C ATOM 758 CD1 LEU A 46 66.448 10.347 -10.674 1.00 1.00 C ATOM 759 CD2 LEU A 46 67.755 12.431 -10.254 1.00 1.00 C ATOM 0 H LEU A 46 70.565 8.978 -8.256 1.00 1.00 H new ATOM 0 HA LEU A 46 70.226 9.573 -11.081 1.00 1.00 H new ATOM 0 HB2 LEU A 46 68.347 9.184 -9.386 1.00 1.00 H new ATOM 0 HB3 LEU A 46 68.772 10.707 -8.630 1.00 1.00 H new ATOM 0 HG LEU A 46 68.346 10.833 -11.598 1.00 1.00 H new ATOM 0 HD11 LEU A 46 65.850 10.896 -11.401 1.00 1.00 H new ATOM 0 HD12 LEU A 46 66.501 9.298 -10.966 1.00 1.00 H new ATOM 0 HD13 LEU A 46 65.986 10.426 -9.690 1.00 1.00 H new ATOM 0 HD21 LEU A 46 67.130 12.941 -10.987 1.00 1.00 H new ATOM 0 HD22 LEU A 46 67.307 12.527 -9.265 1.00 1.00 H new ATOM 0 HD23 LEU A 46 68.748 12.881 -10.248 1.00 1.00 H new ATOM 771 N ALA A 47 71.297 12.062 -9.160 1.00 1.00 N ATOM 772 CA ALA A 47 71.917 13.416 -9.238 1.00 1.00 C ATOM 773 C ALA A 47 73.197 13.435 -10.101 1.00 1.00 C ATOM 774 O ALA A 47 73.445 14.363 -10.864 1.00 1.00 O ATOM 775 CB ALA A 47 72.264 13.923 -7.837 1.00 1.00 C ATOM 0 H ALA A 47 71.202 11.695 -8.213 1.00 1.00 H new ATOM 0 HA ALA A 47 71.180 14.066 -9.709 1.00 1.00 H new ATOM 0 HB1 ALA A 47 72.716 14.912 -7.910 1.00 1.00 H new ATOM 0 HB2 ALA A 47 71.356 13.982 -7.236 1.00 1.00 H new ATOM 0 HB3 ALA A 47 72.967 13.237 -7.366 1.00 1.00 H new ATOM 781 N GLU A 48 73.955 12.367 -9.987 1.00 1.00 N ATOM 782 CA GLU A 48 75.173 12.248 -10.806 1.00 1.00 C ATOM 783 C GLU A 48 74.720 12.250 -12.273 1.00 1.00 C ATOM 784 O GLU A 48 75.189 13.054 -13.078 1.00 1.00 O ATOM 785 CB GLU A 48 76.070 11.040 -10.420 1.00 1.00 C ATOM 786 CG GLU A 48 75.589 9.731 -11.033 1.00 1.00 C ATOM 787 CD GLU A 48 76.025 9.604 -12.498 1.00 1.00 C ATOM 788 OE1 GLU A 48 76.585 10.552 -13.020 1.00 1.00 O ATOM 789 OE2 GLU A 48 75.815 8.549 -13.068 1.00 1.00 O ATOM 0 H GLU A 48 73.771 11.583 -9.360 1.00 1.00 H new ATOM 0 HA GLU A 48 75.835 13.094 -10.623 1.00 1.00 H new ATOM 0 HB2 GLU A 48 77.093 11.234 -10.744 1.00 1.00 H new ATOM 0 HB3 GLU A 48 76.093 10.942 -9.335 1.00 1.00 H new ATOM 0 HG2 GLU A 48 75.985 8.892 -10.460 1.00 1.00 H new ATOM 0 HG3 GLU A 48 74.502 9.676 -10.969 1.00 1.00 H new ATOM 796 N LEU A 49 73.802 11.354 -12.602 1.00 1.00 N ATOM 797 CA LEU A 49 73.269 11.249 -13.954 1.00 1.00 C ATOM 798 C LEU A 49 72.677 12.580 -14.407 1.00 1.00 C ATOM 799 O LEU A 49 72.782 12.947 -15.577 1.00 1.00 O ATOM 800 CB LEU A 49 72.162 10.174 -13.971 1.00 1.00 C ATOM 801 CG LEU A 49 72.781 8.757 -13.852 1.00 1.00 C ATOM 802 CD1 LEU A 49 71.664 7.743 -13.583 1.00 1.00 C ATOM 803 CD2 LEU A 49 73.554 8.361 -15.153 1.00 1.00 C ATOM 0 H LEU A 49 73.407 10.682 -11.944 1.00 1.00 H new ATOM 0 HA LEU A 49 74.078 10.978 -14.632 1.00 1.00 H new ATOM 0 HB2 LEU A 49 71.468 10.345 -13.148 1.00 1.00 H new ATOM 0 HB3 LEU A 49 71.587 10.250 -14.894 1.00 1.00 H new ATOM 0 HG LEU A 49 73.494 8.758 -13.028 1.00 1.00 H new ATOM 0 HD11 LEU A 49 72.092 6.744 -13.498 1.00 1.00 H new ATOM 0 HD12 LEU A 49 71.155 8.000 -12.654 1.00 1.00 H new ATOM 0 HD13 LEU A 49 70.949 7.763 -14.405 1.00 1.00 H new ATOM 0 HD21 LEU A 49 73.975 7.363 -15.036 1.00 1.00 H new ATOM 0 HD22 LEU A 49 72.868 8.369 -16.000 1.00 1.00 H new ATOM 0 HD23 LEU A 49 74.358 9.076 -15.330 1.00 1.00 H new ATOM 815 N THR A 50 72.030 13.286 -13.484 1.00 1.00 N ATOM 816 CA THR A 50 71.398 14.558 -13.823 1.00 1.00 C ATOM 817 C THR A 50 72.426 15.482 -14.472 1.00 1.00 C ATOM 818 O THR A 50 72.109 16.200 -15.420 1.00 1.00 O ATOM 819 CB THR A 50 70.769 15.174 -12.564 1.00 1.00 C ATOM 820 OG1 THR A 50 69.890 14.224 -11.978 1.00 1.00 O ATOM 821 CG2 THR A 50 69.981 16.453 -12.892 1.00 1.00 C ATOM 0 H THR A 50 71.930 13.005 -12.509 1.00 1.00 H new ATOM 0 HA THR A 50 70.596 14.403 -14.545 1.00 1.00 H new ATOM 0 HB THR A 50 71.571 15.438 -11.875 1.00 1.00 H new ATOM 0 HG1 THR A 50 70.413 13.533 -11.521 1.00 1.00 H new ATOM 0 HG21 THR A 50 69.551 16.860 -11.977 1.00 1.00 H new ATOM 0 HG22 THR A 50 70.651 17.189 -13.337 1.00 1.00 H new ATOM 0 HG23 THR A 50 69.182 16.218 -13.595 1.00 1.00 H new ATOM 829 N MET A 51 73.676 15.404 -14.014 1.00 1.00 N ATOM 830 CA MET A 51 74.781 16.176 -14.614 1.00 1.00 C ATOM 831 C MET A 51 75.532 15.169 -15.489 1.00 1.00 C ATOM 832 O MET A 51 75.047 14.842 -16.569 1.00 1.00 O ATOM 833 CB MET A 51 75.695 16.842 -13.523 1.00 1.00 C ATOM 834 CG MET A 51 75.422 16.256 -12.128 1.00 1.00 C ATOM 835 SD MET A 51 76.293 17.249 -10.888 1.00 1.00 S ATOM 836 CE MET A 51 77.985 16.917 -11.442 1.00 1.00 C ATOM 0 H MET A 51 73.955 14.815 -13.229 1.00 1.00 H new ATOM 0 HA MET A 51 74.421 17.019 -15.204 1.00 1.00 H new ATOM 0 HB2 MET A 51 76.743 16.692 -13.783 1.00 1.00 H new ATOM 0 HB3 MET A 51 75.521 17.918 -13.508 1.00 1.00 H new ATOM 0 HG2 MET A 51 74.351 16.254 -11.924 1.00 1.00 H new ATOM 0 HG3 MET A 51 75.757 15.220 -12.083 1.00 1.00 H new ATOM 0 HE1 MET A 51 78.664 16.975 -10.592 1.00 1.00 H new ATOM 0 HE2 MET A 51 78.036 15.920 -11.879 1.00 1.00 H new ATOM 0 HE3 MET A 51 78.275 17.656 -12.189 1.00 1.00 H new ATOM 846 N ASN A 52 76.644 14.610 -15.001 1.00 1.00 N ATOM 847 CA ASN A 52 77.343 13.569 -15.763 1.00 1.00 C ATOM 848 C ASN A 52 78.613 13.089 -15.041 1.00 1.00 C ATOM 849 O ASN A 52 79.497 12.512 -15.676 1.00 1.00 O ATOM 850 CB ASN A 52 77.693 14.042 -17.201 1.00 1.00 C ATOM 851 CG ASN A 52 78.204 15.483 -17.183 1.00 1.00 C ATOM 852 OD1 ASN A 52 77.744 16.303 -16.391 1.00 1.00 O ATOM 853 ND2 ASN A 52 79.136 15.841 -18.022 1.00 1.00 N ATOM 0 H ASN A 52 77.071 14.852 -14.107 1.00 1.00 H new ATOM 0 HA ASN A 52 76.654 12.728 -15.839 1.00 1.00 H new ATOM 0 HB2 ASN A 52 78.451 13.387 -17.631 1.00 1.00 H new ATOM 0 HB3 ASN A 52 76.811 13.971 -17.838 1.00 1.00 H new ATOM 0 HD21 ASN A 52 79.482 16.800 -18.021 1.00 1.00 H new ATOM 0 HD22 ASN A 52 79.519 15.162 -18.680 1.00 1.00 H new ATOM 860 N LYS A 53 78.715 13.324 -13.719 1.00 1.00 N ATOM 861 CA LYS A 53 79.903 12.905 -12.940 1.00 1.00 C ATOM 862 C LYS A 53 79.554 11.757 -11.992 1.00 1.00 C ATOM 863 O LYS A 53 78.868 10.815 -12.379 1.00 1.00 O ATOM 864 CB LYS A 53 80.473 14.094 -12.152 1.00 1.00 C ATOM 865 CG LYS A 53 80.771 15.262 -13.112 1.00 1.00 C ATOM 866 CD LYS A 53 81.626 16.337 -12.409 1.00 1.00 C ATOM 867 CE LYS A 53 81.872 17.498 -13.375 1.00 1.00 C ATOM 868 NZ LYS A 53 82.463 18.645 -12.631 1.00 1.00 N ATOM 0 H LYS A 53 77.998 13.797 -13.169 1.00 1.00 H new ATOM 0 HA LYS A 53 80.662 12.553 -13.639 1.00 1.00 H new ATOM 0 HB2 LYS A 53 79.762 14.411 -11.389 1.00 1.00 H new ATOM 0 HB3 LYS A 53 81.384 13.795 -11.634 1.00 1.00 H new ATOM 0 HG2 LYS A 53 81.295 14.891 -13.993 1.00 1.00 H new ATOM 0 HG3 LYS A 53 79.836 15.702 -13.459 1.00 1.00 H new ATOM 0 HD2 LYS A 53 81.117 16.695 -11.514 1.00 1.00 H new ATOM 0 HD3 LYS A 53 82.575 15.910 -12.087 1.00 1.00 H new ATOM 0 HE2 LYS A 53 82.543 17.184 -14.174 1.00 1.00 H new ATOM 0 HE3 LYS A 53 80.936 17.799 -13.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 82.631 19.435 -13.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 81.807 18.949 -11.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 83.365 18.353 -12.203 1.00 1.00 H new ATOM 882 N LEU A 54 80.090 11.803 -10.768 1.00 1.00 N ATOM 883 CA LEU A 54 79.897 10.727 -9.781 1.00 1.00 C ATOM 884 C LEU A 54 79.551 11.278 -8.395 1.00 1.00 C ATOM 885 O LEU A 54 80.434 11.816 -7.727 1.00 1.00 O ATOM 886 CB LEU A 54 81.249 9.990 -9.691 1.00 1.00 C ATOM 887 CG LEU A 54 81.288 8.981 -8.519 1.00 1.00 C ATOM 888 CD1 LEU A 54 80.034 8.094 -8.533 1.00 1.00 C ATOM 889 CD2 LEU A 54 82.541 8.108 -8.653 1.00 1.00 C ATOM 0 H LEU A 54 80.664 12.576 -10.433 1.00 1.00 H new ATOM 0 HA LEU A 54 79.074 10.082 -10.090 1.00 1.00 H new ATOM 0 HB2 LEU A 54 81.437 9.464 -10.627 1.00 1.00 H new ATOM 0 HB3 LEU A 54 82.050 10.718 -9.568 1.00 1.00 H new ATOM 0 HG LEU A 54 81.315 9.527 -7.576 1.00 1.00 H new ATOM 0 HD11 LEU A 54 80.077 7.390 -7.702 1.00 1.00 H new ATOM 0 HD12 LEU A 54 79.146 8.718 -8.434 1.00 1.00 H new ATOM 0 HD13 LEU A 54 79.988 7.544 -9.473 1.00 1.00 H new ATOM 0 HD21 LEU A 54 82.576 7.394 -7.830 1.00 1.00 H new ATOM 0 HD22 LEU A 54 82.510 7.570 -9.600 1.00 1.00 H new ATOM 0 HD23 LEU A 54 83.429 8.739 -8.624 1.00 1.00 H new ATOM 901 N TYR A 55 78.302 11.118 -7.914 1.00 1.00 N ATOM 902 CA TYR A 55 77.963 11.595 -6.546 1.00 1.00 C ATOM 903 C TYR A 55 78.404 10.484 -5.582 1.00 1.00 C ATOM 904 O TYR A 55 79.358 9.807 -5.940 1.00 1.00 O ATOM 905 CB TYR A 55 76.460 11.950 -6.448 1.00 1.00 C ATOM 906 CG TYR A 55 76.212 13.398 -6.879 1.00 1.00 C ATOM 907 CD1 TYR A 55 77.046 14.043 -7.817 1.00 1.00 C ATOM 908 CD2 TYR A 55 75.164 14.114 -6.289 1.00 1.00 C ATOM 909 CE1 TYR A 55 76.819 15.383 -8.148 1.00 1.00 C ATOM 910 CE2 TYR A 55 74.951 15.457 -6.612 1.00 1.00 C ATOM 911 CZ TYR A 55 75.778 16.093 -7.541 1.00 1.00 C ATOM 912 OH TYR A 55 75.567 17.419 -7.859 1.00 1.00 O ATOM 0 H TYR A 55 77.534 10.681 -8.424 1.00 1.00 H new ATOM 0 HA TYR A 55 78.480 12.519 -6.287 1.00 1.00 H new ATOM 0 HB2 TYR A 55 75.881 11.275 -7.078 1.00 1.00 H new ATOM 0 HB3 TYR A 55 76.114 11.807 -5.424 1.00 1.00 H new ATOM 0 HD1 TYR A 55 77.859 13.502 -8.279 1.00 1.00 H new ATOM 0 HD2 TYR A 55 74.515 13.625 -5.578 1.00 1.00 H new ATOM 0 HE1 TYR A 55 77.450 15.871 -8.875 1.00 1.00 H new ATOM 0 HE2 TYR A 55 74.146 16.004 -6.143 1.00 1.00 H new ATOM 0 HH TYR A 55 75.661 17.542 -8.827 1.00 1.00 H new ATOM 922 N ASP A 56 77.722 10.269 -4.421 1.00 1.00 N ATOM 923 CA ASP A 56 78.077 9.180 -3.466 1.00 1.00 C ATOM 924 C ASP A 56 77.735 9.544 -1.998 1.00 1.00 C ATOM 925 O ASP A 56 78.633 9.674 -1.173 1.00 1.00 O ATOM 926 CB ASP A 56 79.577 8.723 -3.580 1.00 1.00 C ATOM 927 CG ASP A 56 80.033 7.864 -2.394 1.00 1.00 C ATOM 928 OD1 ASP A 56 79.697 6.692 -2.374 1.00 1.00 O ATOM 929 OD2 ASP A 56 80.711 8.394 -1.529 1.00 1.00 O ATOM 0 H ASP A 56 76.926 10.834 -4.125 1.00 1.00 H new ATOM 0 HA ASP A 56 77.455 8.334 -3.759 1.00 1.00 H new ATOM 0 HB2 ASP A 56 79.710 8.158 -4.503 1.00 1.00 H new ATOM 0 HB3 ASP A 56 80.215 9.604 -3.650 1.00 1.00 H new ATOM 934 N LYS A 57 76.426 9.632 -1.696 1.00 1.00 N ATOM 935 CA LYS A 57 75.815 9.866 -0.359 1.00 1.00 C ATOM 936 C LYS A 57 75.181 11.255 -0.402 1.00 1.00 C ATOM 937 O LYS A 57 75.976 12.186 -0.260 1.00 1.00 O ATOM 938 CB LYS A 57 76.807 9.824 0.831 1.00 1.00 C ATOM 939 CG LYS A 57 77.369 8.397 1.040 1.00 1.00 C ATOM 940 CD LYS A 57 78.615 8.457 1.932 1.00 1.00 C ATOM 941 CE LYS A 57 78.983 7.045 2.384 1.00 1.00 C ATOM 942 NZ LYS A 57 80.179 7.099 3.270 1.00 1.00 N ATOM 0 H LYS A 57 75.715 9.536 -2.421 1.00 1.00 H new ATOM 0 HA LYS A 57 75.106 9.057 -0.182 1.00 1.00 H new ATOM 0 HB2 LYS A 57 77.628 10.518 0.649 1.00 1.00 H new ATOM 0 HB3 LYS A 57 76.304 10.156 1.739 1.00 1.00 H new ATOM 0 HG2 LYS A 57 76.612 7.761 1.499 1.00 1.00 H new ATOM 0 HG3 LYS A 57 77.620 7.950 0.078 1.00 1.00 H new ATOM 0 HD2 LYS A 57 79.446 8.904 1.386 1.00 1.00 H new ATOM 0 HD3 LYS A 57 78.425 9.090 2.799 1.00 1.00 H new ATOM 0 HE2 LYS A 57 78.145 6.592 2.914 1.00 1.00 H new ATOM 0 HE3 LYS A 57 79.188 6.417 1.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 80.428 6.137 3.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 80.978 7.514 2.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 79.967 7.684 4.103 1.00 1.00 H new ATOM 956 N ILE A 58 73.862 11.509 -0.630 1.00 1.00 N ATOM 957 CA ILE A 58 73.367 12.932 -0.715 1.00 1.00 C ATOM 958 C ILE A 58 72.239 13.327 0.309 1.00 1.00 C ATOM 959 O ILE A 58 71.264 12.591 0.444 1.00 1.00 O ATOM 960 CB ILE A 58 72.945 13.201 -2.223 1.00 1.00 C ATOM 961 CG1 ILE A 58 73.825 14.319 -2.863 1.00 1.00 C ATOM 962 CG2 ILE A 58 71.468 13.613 -2.352 1.00 1.00 C ATOM 963 CD1 ILE A 58 75.270 13.822 -3.080 1.00 1.00 C ATOM 0 H ILE A 58 73.146 10.793 -0.754 1.00 1.00 H new ATOM 0 HA ILE A 58 74.185 13.586 -0.412 1.00 1.00 H new ATOM 0 HB ILE A 58 73.096 12.258 -2.749 1.00 1.00 H new ATOM 0 HG12 ILE A 58 73.394 14.626 -3.816 1.00 1.00 H new ATOM 0 HG13 ILE A 58 73.831 15.198 -2.218 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.229 13.786 -3.401 1.00 1.00 H new ATOM 0 HG22 ILE A 58 70.833 12.818 -1.961 1.00 1.00 H new ATOM 0 HG23 ILE A 58 71.295 14.528 -1.785 1.00 1.00 H new ATOM 0 HD11 ILE A 58 75.865 14.618 -3.527 1.00 1.00 H new ATOM 0 HD12 ILE A 58 75.705 13.538 -2.122 1.00 1.00 H new ATOM 0 HD13 ILE A 58 75.262 12.958 -3.745 1.00 1.00 H new ATOM 975 N PRO A 59 72.282 14.531 0.924 1.00 1.00 N ATOM 976 CA PRO A 59 71.154 15.038 1.795 1.00 1.00 C ATOM 977 C PRO A 59 69.780 14.968 1.081 1.00 1.00 C ATOM 978 O PRO A 59 69.719 14.983 -0.145 1.00 1.00 O ATOM 979 CB PRO A 59 71.526 16.533 1.993 1.00 1.00 C ATOM 980 CG PRO A 59 72.999 16.529 2.020 1.00 1.00 C ATOM 981 CD PRO A 59 73.395 15.541 0.917 1.00 1.00 C ATOM 0 HA PRO A 59 71.055 14.453 2.709 1.00 1.00 H new ATOM 0 HB2 PRO A 59 71.143 17.151 1.181 1.00 1.00 H new ATOM 0 HB3 PRO A 59 71.110 16.929 2.919 1.00 1.00 H new ATOM 0 HG2 PRO A 59 73.403 17.523 1.828 1.00 1.00 H new ATOM 0 HG3 PRO A 59 73.378 16.213 2.992 1.00 1.00 H new ATOM 0 HD2 PRO A 59 73.481 16.035 -0.051 1.00 1.00 H new ATOM 0 HD3 PRO A 59 74.359 15.076 1.124 1.00 1.00 H new ATOM 989 N PRO A 60 68.689 14.941 1.809 1.00 1.00 N ATOM 990 CA PRO A 60 67.316 14.923 1.198 1.00 1.00 C ATOM 991 C PRO A 60 67.034 16.233 0.430 1.00 1.00 C ATOM 992 O PRO A 60 66.084 16.329 -0.346 1.00 1.00 O ATOM 993 CB PRO A 60 66.382 14.750 2.420 1.00 1.00 C ATOM 994 CG PRO A 60 67.167 15.321 3.562 1.00 1.00 C ATOM 995 CD PRO A 60 68.622 14.932 3.282 1.00 1.00 C ATOM 0 HA PRO A 60 67.181 14.132 0.460 1.00 1.00 H new ATOM 0 HB2 PRO A 60 65.439 15.279 2.280 1.00 1.00 H new ATOM 0 HB3 PRO A 60 66.137 13.702 2.589 1.00 1.00 H new ATOM 0 HG2 PRO A 60 67.052 16.404 3.617 1.00 1.00 H new ATOM 0 HG3 PRO A 60 66.827 14.916 4.515 1.00 1.00 H new ATOM 0 HD2 PRO A 60 69.322 15.642 3.722 1.00 1.00 H new ATOM 0 HD3 PRO A 60 68.864 13.951 3.691 1.00 1.00 H new ATOM 1003 N THR A 61 67.881 17.226 0.681 1.00 1.00 N ATOM 1004 CA THR A 61 67.782 18.555 0.064 1.00 1.00 C ATOM 1005 C THR A 61 67.819 18.518 -1.467 1.00 1.00 C ATOM 1006 O THR A 61 67.045 19.198 -2.142 1.00 1.00 O ATOM 1007 CB THR A 61 68.977 19.379 0.542 1.00 1.00 C ATOM 1008 OG1 THR A 61 69.036 19.338 1.961 1.00 1.00 O ATOM 1009 CG2 THR A 61 68.842 20.833 0.078 1.00 1.00 C ATOM 0 H THR A 61 68.666 17.135 1.325 1.00 1.00 H new ATOM 0 HA THR A 61 66.823 18.983 0.357 1.00 1.00 H new ATOM 0 HB THR A 61 69.890 18.959 0.120 1.00 1.00 H new ATOM 0 HG1 THR A 61 69.802 19.864 2.272 1.00 1.00 H new ATOM 0 HG21 THR A 61 69.701 21.407 0.426 1.00 1.00 H new ATOM 0 HG22 THR A 61 68.801 20.865 -1.011 1.00 1.00 H new ATOM 0 HG23 THR A 61 67.928 21.262 0.488 1.00 1.00 H new ATOM 1017 N VAL A 62 68.759 17.751 -1.990 1.00 1.00 N ATOM 1018 CA VAL A 62 68.981 17.630 -3.429 1.00 1.00 C ATOM 1019 C VAL A 62 67.790 17.074 -4.218 1.00 1.00 C ATOM 1020 O VAL A 62 67.408 17.631 -5.244 1.00 1.00 O ATOM 1021 CB VAL A 62 70.149 16.666 -3.604 1.00 1.00 C ATOM 1022 CG1 VAL A 62 70.501 16.517 -5.094 1.00 1.00 C ATOM 1023 CG2 VAL A 62 71.368 17.199 -2.832 1.00 1.00 C ATOM 0 H VAL A 62 69.397 17.188 -1.428 1.00 1.00 H new ATOM 0 HA VAL A 62 69.160 18.632 -3.819 1.00 1.00 H new ATOM 0 HB VAL A 62 69.866 15.688 -3.214 1.00 1.00 H new ATOM 0 HG11 VAL A 62 71.337 15.826 -5.203 1.00 1.00 H new ATOM 0 HG12 VAL A 62 69.637 16.130 -5.635 1.00 1.00 H new ATOM 0 HG13 VAL A 62 70.779 17.489 -5.501 1.00 1.00 H new ATOM 0 HG21 VAL A 62 72.205 16.512 -2.955 1.00 1.00 H new ATOM 0 HG22 VAL A 62 71.644 18.180 -3.219 1.00 1.00 H new ATOM 0 HG23 VAL A 62 71.120 17.283 -1.774 1.00 1.00 H new ATOM 1033 N TRP A 63 67.257 15.943 -3.771 1.00 1.00 N ATOM 1034 CA TRP A 63 66.165 15.282 -4.493 1.00 1.00 C ATOM 1035 C TRP A 63 64.966 16.187 -4.723 1.00 1.00 C ATOM 1036 O TRP A 63 64.146 15.906 -5.599 1.00 1.00 O ATOM 1037 CB TRP A 63 65.732 13.963 -3.843 1.00 1.00 C ATOM 1038 CG TRP A 63 66.941 13.154 -3.481 1.00 1.00 C ATOM 1039 CD1 TRP A 63 67.210 12.702 -2.236 1.00 1.00 C ATOM 1040 CD2 TRP A 63 68.042 12.687 -4.331 1.00 1.00 C ATOM 1041 NE1 TRP A 63 68.406 12.018 -2.253 1.00 1.00 N ATOM 1042 CE2 TRP A 63 68.957 11.982 -3.515 1.00 1.00 C ATOM 1043 CE3 TRP A 63 68.352 12.806 -5.707 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 70.123 11.426 -4.031 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 69.522 12.245 -6.223 1.00 1.00 C ATOM 1046 CH2 TRP A 63 70.408 11.563 -5.393 1.00 1.00 C ATOM 0 H TRP A 63 67.556 15.465 -2.921 1.00 1.00 H new ATOM 0 HA TRP A 63 66.583 15.044 -5.471 1.00 1.00 H new ATOM 0 HB2 TRP A 63 65.138 14.164 -2.952 1.00 1.00 H new ATOM 0 HB3 TRP A 63 65.098 13.400 -4.528 1.00 1.00 H new ATOM 0 HD1 TRP A 63 66.587 12.853 -1.367 1.00 1.00 H new ATOM 0 HE1 TRP A 63 68.832 11.590 -1.431 1.00 1.00 H new ATOM 0 HE3 TRP A 63 67.678 13.335 -6.364 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 70.803 10.892 -3.384 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 69.742 12.341 -7.276 1.00 1.00 H new ATOM 0 HH2 TRP A 63 71.314 11.140 -5.801 1.00 1.00 H new ATOM 1057 N GLN A 64 64.926 17.335 -4.013 1.00 1.00 N ATOM 1058 CA GLN A 64 63.853 18.355 -4.258 1.00 1.00 C ATOM 1059 C GLN A 64 64.283 19.305 -5.387 1.00 1.00 C ATOM 1060 O GLN A 64 63.442 19.885 -6.073 1.00 1.00 O ATOM 1061 CB GLN A 64 63.403 19.087 -2.995 1.00 1.00 C ATOM 1062 CG GLN A 64 62.966 18.068 -1.942 1.00 1.00 C ATOM 1063 CD GLN A 64 62.646 18.777 -0.631 1.00 1.00 C ATOM 1064 OE1 GLN A 64 62.782 19.997 -0.536 1.00 1.00 O ATOM 1065 NE2 GLN A 64 62.227 18.083 0.391 1.00 1.00 N ATOM 0 H GLN A 64 65.596 17.585 -3.285 1.00 1.00 H new ATOM 0 HA GLN A 64 62.960 17.822 -4.584 1.00 1.00 H new ATOM 0 HB2 GLN A 64 64.217 19.700 -2.608 1.00 1.00 H new ATOM 0 HB3 GLN A 64 62.579 19.762 -3.227 1.00 1.00 H new ATOM 0 HG2 GLN A 64 62.090 17.523 -2.293 1.00 1.00 H new ATOM 0 HG3 GLN A 64 63.756 17.334 -1.784 1.00 1.00 H new ATOM 0 HE21 GLN A 64 62.115 17.072 0.310 1.00 1.00 H new ATOM 0 HE22 GLN A 64 62.011 18.551 1.271 1.00 1.00 H new ATOM 1074 N HIS A 65 65.604 19.478 -5.556 1.00 1.00 N ATOM 1075 CA HIS A 65 66.168 20.378 -6.582 1.00 1.00 C ATOM 1076 C HIS A 65 66.798 19.621 -7.750 1.00 1.00 C ATOM 1077 O HIS A 65 66.452 19.853 -8.908 1.00 1.00 O ATOM 1078 CB HIS A 65 67.251 21.237 -5.923 1.00 1.00 C ATOM 1079 CG HIS A 65 66.641 22.032 -4.800 1.00 1.00 C ATOM 1080 ND1 HIS A 65 66.929 21.772 -3.469 1.00 1.00 N ATOM 1081 CD2 HIS A 65 65.756 23.082 -4.793 1.00 1.00 C ATOM 1082 CE1 HIS A 65 66.229 22.647 -2.723 1.00 1.00 C ATOM 1083 NE2 HIS A 65 65.498 23.468 -3.481 1.00 1.00 N ATOM 0 H HIS A 65 66.308 19.003 -4.991 1.00 1.00 H new ATOM 0 HA HIS A 65 65.352 20.980 -6.981 1.00 1.00 H new ATOM 0 HB2 HIS A 65 68.052 20.603 -5.542 1.00 1.00 H new ATOM 0 HB3 HIS A 65 67.697 21.907 -6.658 1.00 1.00 H new ATOM 0 HD1 HIS A 65 67.557 21.049 -3.119 1.00 1.00 H new ATOM 0 HD2 HIS A 65 65.326 23.539 -5.672 1.00 1.00 H new ATOM 0 HE1 HIS A 65 66.255 22.681 -1.644 1.00 1.00 H new ATOM 1092 N VAL A 66 67.739 18.740 -7.443 1.00 1.00 N ATOM 1093 CA VAL A 66 68.439 17.978 -8.468 1.00 1.00 C ATOM 1094 C VAL A 66 69.065 18.947 -9.486 1.00 1.00 C ATOM 1095 O VAL A 66 68.898 18.788 -10.693 1.00 1.00 O ATOM 1096 CB VAL A 66 67.464 16.966 -9.171 1.00 1.00 C ATOM 1097 CG1 VAL A 66 68.217 15.666 -9.560 1.00 1.00 C ATOM 1098 CG2 VAL A 66 66.285 16.614 -8.227 1.00 1.00 C ATOM 0 H VAL A 66 68.036 18.534 -6.489 1.00 1.00 H new ATOM 0 HA VAL A 66 69.234 17.395 -8.004 1.00 1.00 H new ATOM 0 HB VAL A 66 67.077 17.438 -10.074 1.00 1.00 H new ATOM 0 HG11 VAL A 66 67.526 14.977 -10.046 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.030 15.907 -10.245 1.00 1.00 H new ATOM 0 HG13 VAL A 66 68.625 15.199 -8.663 1.00 1.00 H new ATOM 0 HG21 VAL A 66 65.617 15.912 -8.726 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.672 16.160 -7.315 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.736 17.522 -7.976 1.00 1.00 H new ATOM 1108 N LYS A 67 69.780 19.959 -8.986 1.00 1.00 N ATOM 1109 CA LYS A 67 70.422 20.956 -9.858 1.00 1.00 C ATOM 1110 C LYS A 67 71.649 21.551 -9.173 1.00 1.00 C ATOM 1111 O LYS A 67 72.725 21.630 -9.764 1.00 1.00 O ATOM 1112 CB LYS A 67 69.435 22.092 -10.192 1.00 1.00 C ATOM 1113 CG LYS A 67 68.349 21.596 -11.155 1.00 1.00 C ATOM 1114 CD LYS A 67 67.519 22.794 -11.634 1.00 1.00 C ATOM 1115 CE LYS A 67 66.330 22.306 -12.465 1.00 1.00 C ATOM 1116 NZ LYS A 67 65.429 21.483 -11.610 1.00 1.00 N ATOM 0 H LYS A 67 69.930 20.112 -7.989 1.00 1.00 H new ATOM 0 HA LYS A 67 70.726 20.455 -10.777 1.00 1.00 H new ATOM 0 HB2 LYS A 67 68.975 22.463 -9.276 1.00 1.00 H new ATOM 0 HB3 LYS A 67 69.972 22.928 -10.640 1.00 1.00 H new ATOM 0 HG2 LYS A 67 68.804 21.089 -12.006 1.00 1.00 H new ATOM 0 HG3 LYS A 67 67.708 20.869 -10.657 1.00 1.00 H new ATOM 0 HD2 LYS A 67 67.164 23.367 -10.777 1.00 1.00 H new ATOM 0 HD3 LYS A 67 68.140 23.463 -12.230 1.00 1.00 H new ATOM 0 HE2 LYS A 67 65.784 23.157 -12.873 1.00 1.00 H new ATOM 0 HE3 LYS A 67 66.682 21.718 -13.312 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 64.481 21.450 -12.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 65.809 20.518 -11.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 65.368 21.906 -10.662 1.00 1.00 H new ATOM 1130 N HIS A 68 71.470 21.984 -7.934 1.00 1.00 N ATOM 1131 CA HIS A 68 72.563 22.592 -7.183 1.00 1.00 C ATOM 1132 C HIS A 68 73.768 21.655 -7.102 1.00 1.00 C ATOM 1133 O HIS A 68 73.621 20.433 -7.068 1.00 1.00 O ATOM 1134 CB HIS A 68 72.096 22.951 -5.768 1.00 1.00 C ATOM 1135 CG HIS A 68 71.065 24.047 -5.833 1.00 1.00 C ATOM 1136 ND1 HIS A 68 69.704 23.786 -5.819 1.00 1.00 N ATOM 1137 CD2 HIS A 68 71.183 25.414 -5.910 1.00 1.00 C ATOM 1138 CE1 HIS A 68 69.063 24.967 -5.887 1.00 1.00 C ATOM 1139 NE2 HIS A 68 69.917 25.992 -5.944 1.00 1.00 N ATOM 0 H HIS A 68 70.586 21.927 -7.429 1.00 1.00 H new ATOM 0 HA HIS A 68 72.865 23.498 -7.708 1.00 1.00 H new ATOM 0 HB2 HIS A 68 71.675 22.072 -5.280 1.00 1.00 H new ATOM 0 HB3 HIS A 68 72.945 23.274 -5.166 1.00 1.00 H new ATOM 0 HD2 HIS A 68 72.116 25.957 -5.940 1.00 1.00 H new ATOM 0 HE1 HIS A 68 67.988 25.073 -5.895 1.00 1.00 H new ATOM 0 HE2 HIS A 68 69.690 26.985 -6.000 1.00 1.00 H new ATOM 1148 N HIS A 69 74.959 22.248 -7.065 1.00 1.00 N ATOM 1149 CA HIS A 69 76.203 21.489 -6.979 1.00 1.00 C ATOM 1150 C HIS A 69 77.371 22.456 -6.813 1.00 1.00 C ATOM 1151 O HIS A 69 77.166 23.665 -6.708 1.00 1.00 O ATOM 1152 CB HIS A 69 76.404 20.641 -8.240 1.00 1.00 C ATOM 1153 CG HIS A 69 76.474 21.541 -9.444 1.00 1.00 C ATOM 1154 ND1 HIS A 69 75.337 22.049 -10.053 1.00 1.00 N ATOM 1155 CD2 HIS A 69 77.536 22.033 -10.162 1.00 1.00 C ATOM 1156 CE1 HIS A 69 75.737 22.809 -11.089 1.00 1.00 C ATOM 1157 NE2 HIS A 69 77.068 22.834 -11.200 1.00 1.00 N ATOM 0 H HIS A 69 75.088 23.259 -7.094 1.00 1.00 H new ATOM 0 HA HIS A 69 76.153 20.821 -6.119 1.00 1.00 H new ATOM 0 HB2 HIS A 69 77.320 20.057 -8.156 1.00 1.00 H new ATOM 0 HB3 HIS A 69 75.583 19.933 -8.349 1.00 1.00 H new ATOM 0 HD1 HIS A 69 74.373 21.878 -9.768 1.00 1.00 H new ATOM 0 HD2 HIS A 69 78.576 21.830 -9.953 1.00 1.00 H new ATOM 0 HE1 HIS A 69 75.064 23.335 -11.750 1.00 1.00 H new ATOM 1166 N HIS A 70 78.596 21.929 -6.786 1.00 1.00 N ATOM 1167 CA HIS A 70 79.782 22.778 -6.624 1.00 1.00 C ATOM 1168 C HIS A 70 81.033 22.072 -7.136 1.00 1.00 C ATOM 1169 O HIS A 70 81.231 20.882 -6.895 1.00 1.00 O ATOM 1170 CB HIS A 70 79.972 23.129 -5.145 1.00 1.00 C ATOM 1171 CG HIS A 70 78.846 24.015 -4.686 1.00 1.00 C ATOM 1172 ND1 HIS A 70 78.884 25.393 -4.830 1.00 1.00 N ATOM 1173 CD2 HIS A 70 77.643 23.734 -4.087 1.00 1.00 C ATOM 1174 CE1 HIS A 70 77.737 25.886 -4.329 1.00 1.00 C ATOM 1175 NE2 HIS A 70 76.944 24.917 -3.862 1.00 1.00 N ATOM 0 H HIS A 70 78.794 20.932 -6.873 1.00 1.00 H new ATOM 0 HA HIS A 70 79.630 23.687 -7.205 1.00 1.00 H new ATOM 0 HB2 HIS A 70 79.999 22.219 -4.546 1.00 1.00 H new ATOM 0 HB3 HIS A 70 80.927 23.634 -5.001 1.00 1.00 H new ATOM 0 HD2 HIS A 70 77.292 22.746 -3.829 1.00 1.00 H new ATOM 0 HE1 HIS A 70 77.487 26.937 -4.307 1.00 1.00 H new ATOM 0 HE2 HIS A 70 76.025 25.022 -3.433 1.00 1.00 H new ATOM 1184 N HIS A 71 81.878 22.823 -7.839 1.00 1.00 N ATOM 1185 CA HIS A 71 83.118 22.272 -8.378 1.00 1.00 C ATOM 1186 C HIS A 71 84.151 22.116 -7.268 1.00 1.00 C ATOM 1187 O HIS A 71 83.992 22.667 -6.179 1.00 1.00 O ATOM 1188 CB HIS A 71 83.675 23.199 -9.461 1.00 1.00 C ATOM 1189 CG HIS A 71 82.734 23.227 -10.634 1.00 1.00 C ATOM 1190 ND1 HIS A 71 81.799 24.235 -10.807 1.00 1.00 N ATOM 1191 CD2 HIS A 71 82.574 22.380 -11.703 1.00 1.00 C ATOM 1192 CE1 HIS A 71 81.125 23.973 -11.941 1.00 1.00 C ATOM 1193 NE2 HIS A 71 81.558 22.853 -12.527 1.00 1.00 N ATOM 0 H HIS A 71 81.727 23.810 -8.048 1.00 1.00 H new ATOM 0 HA HIS A 71 82.905 21.295 -8.811 1.00 1.00 H new ATOM 0 HB2 HIS A 71 83.804 24.205 -9.062 1.00 1.00 H new ATOM 0 HB3 HIS A 71 84.659 22.853 -9.779 1.00 1.00 H new ATOM 0 HD2 HIS A 71 83.150 21.483 -11.877 1.00 1.00 H new ATOM 0 HE1 HIS A 71 80.331 24.592 -12.330 1.00 1.00 H new ATOM 0 HE2 HIS A 71 81.217 22.435 -13.393 1.00 1.00 H new ATOM 1202 N HIS A 72 85.210 21.364 -7.549 1.00 1.00 N ATOM 1203 CA HIS A 72 86.261 21.148 -6.561 1.00 1.00 C ATOM 1204 C HIS A 72 87.436 20.399 -7.180 1.00 1.00 C ATOM 1205 O HIS A 72 87.284 19.706 -8.186 1.00 1.00 O ATOM 1206 CB HIS A 72 85.709 20.349 -5.379 1.00 1.00 C ATOM 1207 CG HIS A 72 85.054 19.093 -5.884 1.00 1.00 C ATOM 1208 ND1 HIS A 72 83.797 19.097 -6.468 1.00 1.00 N ATOM 1209 CD2 HIS A 72 85.472 17.785 -5.901 1.00 1.00 C ATOM 1210 CE1 HIS A 72 83.504 17.828 -6.809 1.00 1.00 C ATOM 1211 NE2 HIS A 72 84.491 16.988 -6.485 1.00 1.00 N ATOM 0 H HIS A 72 85.363 20.898 -8.443 1.00 1.00 H new ATOM 0 HA HIS A 72 86.610 22.120 -6.212 1.00 1.00 H new ATOM 0 HB2 HIS A 72 86.514 20.099 -4.688 1.00 1.00 H new ATOM 0 HB3 HIS A 72 84.988 20.950 -4.825 1.00 1.00 H new ATOM 0 HD2 HIS A 72 86.418 17.429 -5.520 1.00 1.00 H new ATOM 0 HE1 HIS A 72 82.583 17.526 -7.286 1.00 1.00 H new ATOM 0 HE2 HIS A 72 84.520 15.979 -6.634 1.00 1.00 H new ATOM 1220 N HIS A 73 88.608 20.542 -6.570 1.00 1.00 N ATOM 1221 CA HIS A 73 89.805 19.875 -7.068 1.00 1.00 C ATOM 1222 C HIS A 73 89.576 18.371 -7.174 1.00 1.00 C ATOM 1223 O HIS A 73 89.557 17.871 -8.287 1.00 1.00 O ATOM 1224 CB HIS A 73 90.981 20.149 -6.130 1.00 1.00 C ATOM 1225 CG HIS A 73 92.221 19.497 -6.678 1.00 1.00 C ATOM 1226 ND1 HIS A 73 92.831 19.932 -7.843 1.00 1.00 N ATOM 1227 CD2 HIS A 73 92.974 18.440 -6.231 1.00 1.00 C ATOM 1228 CE1 HIS A 73 93.903 19.147 -8.056 1.00 1.00 C ATOM 1229 NE2 HIS A 73 94.036 18.221 -7.103 1.00 1.00 N ATOM 1230 OXT HIS A 73 89.422 17.740 -6.141 1.00 1.00 O ATOM 0 H HIS A 73 88.754 21.110 -5.735 1.00 1.00 H new ATOM 0 HA HIS A 73 90.031 20.266 -8.060 1.00 1.00 H new ATOM 0 HB2 HIS A 73 91.136 21.223 -6.028 1.00 1.00 H new ATOM 0 HB3 HIS A 73 90.764 19.763 -5.134 1.00 1.00 H new ATOM 0 HD2 HIS A 73 92.773 17.866 -5.339 1.00 1.00 H new ATOM 0 HE1 HIS A 73 94.574 19.253 -8.895 1.00 1.00 H new ATOM 0 HE2 HIS A 73 94.760 17.507 -7.030 1.00 1.00 H new TER 1239 HIS A 73