USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 797 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 114 MET CE :methyl -160:sc= -2.01 (180deg=-3.62!) USER MOD Set 1.2: A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 TYR OH : rot -30:sc= 0.43 USER MOD Set 2.2: A 96 TYR OH : rot -171:sc= 0.463 USER MOD Single : A 23 MET CE :methyl -179:sc= 0 (180deg=-0.00154) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 142:sc= 0.063 USER MOD Single : A 38 SER OG : rot 159:sc= -1.23 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 43:sc= 0.116 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 135:sc=0.000317 USER MOD Single : A 70 LYS NZ :NH3+ 141:sc= -0.714 (180deg=-1.97!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -5.42! C(o=-5.4!,f=-19!) USER MOD Single : A 80 THR OG1 : rot 180:sc=0.000599 USER MOD Single : A 83 TYR OH : rot -70:sc= 0.085 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0902 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.15) USER MOD Single : A 102 LYS NZ :NH3+ 137:sc= 0.408 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -77:sc= -0.854! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -170:sc= 0.465 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -77:sc= -0.34 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.431 8.680 -5.001 1.00 0.00 N ATOM 2 CA MET A 23 6.337 7.233 -4.901 1.00 0.00 C ATOM 3 C MET A 23 7.011 6.726 -3.624 1.00 0.00 C ATOM 4 O MET A 23 8.210 6.923 -3.429 1.00 0.00 O ATOM 5 CB MET A 23 7.005 6.593 -6.120 1.00 0.00 C ATOM 6 CG MET A 23 6.417 5.210 -6.403 1.00 0.00 C ATOM 7 SD MET A 23 7.728 4.010 -6.564 1.00 0.00 S ATOM 8 CE MET A 23 8.379 4.473 -8.160 1.00 0.00 C ATOM 0 HA MET A 23 5.283 6.958 -4.866 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.871 7.234 -6.991 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.078 6.508 -5.949 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.744 4.920 -5.596 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.824 5.238 -7.317 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.200 3.807 -8.425 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.592 4.395 -8.910 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.742 5.500 -8.121 1.00 0.00 H new ATOM 18 N ARG A 24 6.211 6.084 -2.785 1.00 0.00 N ATOM 19 CA ARG A 24 6.715 5.547 -1.533 1.00 0.00 C ATOM 20 C ARG A 24 6.855 4.028 -1.624 1.00 0.00 C ATOM 21 O ARG A 24 5.913 3.336 -2.011 1.00 0.00 O ATOM 22 CB ARG A 24 5.786 5.900 -0.370 1.00 0.00 C ATOM 23 CG ARG A 24 6.418 6.957 0.537 1.00 0.00 C ATOM 24 CD ARG A 24 5.561 7.198 1.782 1.00 0.00 C ATOM 25 NE ARG A 24 5.876 8.520 2.365 1.00 0.00 N ATOM 26 CZ ARG A 24 5.506 9.687 1.821 1.00 0.00 C ATOM 27 NH1 ARG A 24 4.806 9.704 0.679 1.00 0.00 N ATOM 28 NH2 ARG A 24 5.835 10.840 2.423 1.00 0.00 N ATOM 0 H ARG A 24 5.217 5.924 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 24 7.693 5.993 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.837 6.269 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.566 5.003 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.416 6.635 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.535 7.890 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.504 7.149 1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.744 6.414 2.517 1.00 0.00 H new ATOM 0 HE ARG A 24 6.408 8.545 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.554 8.828 0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.525 10.593 0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.366 10.827 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.554 11.729 2.010 1.00 0.00 H new ATOM 42 N GLU A 25 8.036 3.550 -1.260 1.00 0.00 N ATOM 43 CA GLU A 25 8.310 2.123 -1.296 1.00 0.00 C ATOM 44 C GLU A 25 8.130 1.513 0.096 1.00 0.00 C ATOM 45 O GLU A 25 8.696 2.003 1.070 1.00 0.00 O ATOM 46 CB GLU A 25 9.714 1.848 -1.838 1.00 0.00 C ATOM 47 CG GLU A 25 9.880 0.373 -2.206 1.00 0.00 C ATOM 48 CD GLU A 25 11.334 -0.075 -2.036 1.00 0.00 C ATOM 49 OE1 GLU A 25 12.190 0.502 -2.740 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.555 -0.984 -1.206 1.00 0.00 O ATOM 0 H GLU A 25 8.814 4.126 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 25 7.597 1.652 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.897 2.468 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.457 2.126 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.232 -0.237 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.565 0.214 -3.237 1.00 0.00 H new ATOM 57 N TYR A 26 7.338 0.451 0.143 1.00 0.00 N ATOM 58 CA TYR A 26 7.076 -0.231 1.400 1.00 0.00 C ATOM 59 C TYR A 26 7.596 -1.669 1.360 1.00 0.00 C ATOM 60 O TYR A 26 7.623 -2.295 0.302 1.00 0.00 O ATOM 61 CB TYR A 26 5.554 -0.255 1.556 1.00 0.00 C ATOM 62 CG TYR A 26 4.900 1.126 1.491 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.386 2.156 2.270 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.825 1.342 0.654 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.769 3.457 2.209 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.208 2.641 0.593 1.00 0.00 C ATOM 67 CZ TYR A 26 3.711 3.636 1.374 1.00 0.00 C ATOM 68 OH TYR A 26 3.129 4.864 1.316 1.00 0.00 O ATOM 0 H TYR A 26 6.870 0.047 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 26 7.573 0.278 2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.129 -0.884 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.304 -0.719 2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.228 1.987 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.446 0.536 0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.139 4.272 2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.365 2.822 -0.058 1.00 0.00 H new ATOM 0 HH TYR A 26 3.222 5.311 2.183 1.00 0.00 H new ATOM 78 N PRO A 27 8.005 -2.166 2.559 1.00 0.00 N ATOM 79 CA PRO A 27 8.523 -3.517 2.672 1.00 0.00 C ATOM 80 C PRO A 27 7.392 -4.546 2.594 1.00 0.00 C ATOM 81 O PRO A 27 6.216 -4.185 2.647 1.00 0.00 O ATOM 82 CB PRO A 27 9.263 -3.547 3.999 1.00 0.00 C ATOM 83 CG PRO A 27 8.742 -2.358 4.792 1.00 0.00 C ATOM 84 CD PRO A 27 7.988 -1.453 3.833 1.00 0.00 C ATOM 0 HA PRO A 27 9.193 -3.780 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.078 -4.481 4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.340 -3.474 3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.087 -2.693 5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.567 -1.818 5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.968 -1.277 4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.469 -0.478 3.748 1.00 0.00 H new ATOM 92 N VAL A 28 7.787 -5.805 2.472 1.00 0.00 N ATOM 93 CA VAL A 28 6.820 -6.887 2.388 1.00 0.00 C ATOM 94 C VAL A 28 7.191 -7.975 3.398 1.00 0.00 C ATOM 95 O VAL A 28 8.331 -8.434 3.430 1.00 0.00 O ATOM 96 CB VAL A 28 6.742 -7.407 0.951 1.00 0.00 C ATOM 97 CG1 VAL A 28 6.103 -8.795 0.905 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.985 -6.425 0.053 1.00 0.00 C ATOM 0 H VAL A 28 8.762 -6.100 2.429 1.00 0.00 H new ATOM 0 HA VAL A 28 5.823 -6.530 2.646 1.00 0.00 H new ATOM 0 HB VAL A 28 7.760 -7.494 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.060 -9.141 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.699 -9.490 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.094 -8.745 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.944 -6.818 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.972 -6.292 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.500 -5.464 0.049 1.00 0.00 H new ATOM 108 N LYS A 29 6.205 -8.354 4.198 1.00 0.00 N ATOM 109 CA LYS A 29 6.413 -9.379 5.206 1.00 0.00 C ATOM 110 C LYS A 29 6.595 -10.735 4.520 1.00 0.00 C ATOM 111 O LYS A 29 5.967 -11.006 3.497 1.00 0.00 O ATOM 112 CB LYS A 29 5.280 -9.357 6.233 1.00 0.00 C ATOM 113 CG LYS A 29 5.486 -10.435 7.301 1.00 0.00 C ATOM 114 CD LYS A 29 6.004 -9.824 8.605 1.00 0.00 C ATOM 115 CE LYS A 29 7.526 -9.672 8.572 1.00 0.00 C ATOM 116 NZ LYS A 29 8.018 -9.106 9.849 1.00 0.00 N ATOM 0 H LYS A 29 5.261 -7.970 4.168 1.00 0.00 H new ATOM 0 HA LYS A 29 7.326 -9.181 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.232 -8.376 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.326 -9.516 5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.545 -10.953 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.194 -11.181 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.541 -8.850 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.716 -10.455 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.991 -10.642 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.815 -9.024 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.053 -9.009 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.588 -8.171 10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.759 -9.739 10.632 1.00 0.00 H new ATOM 130 N LYS A 30 7.457 -11.550 5.109 1.00 0.00 N ATOM 131 CA LYS A 30 7.729 -12.870 4.567 1.00 0.00 C ATOM 132 C LYS A 30 6.479 -13.741 4.706 1.00 0.00 C ATOM 133 O LYS A 30 6.151 -14.193 5.803 1.00 0.00 O ATOM 134 CB LYS A 30 8.973 -13.472 5.222 1.00 0.00 C ATOM 135 CG LYS A 30 10.249 -12.964 4.546 1.00 0.00 C ATOM 136 CD LYS A 30 11.455 -13.820 4.939 1.00 0.00 C ATOM 137 CE LYS A 30 12.492 -13.856 3.813 1.00 0.00 C ATOM 138 NZ LYS A 30 13.853 -13.649 4.355 1.00 0.00 N ATOM 0 H LYS A 30 7.976 -11.322 5.957 1.00 0.00 H new ATOM 0 HA LYS A 30 7.957 -12.805 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.991 -13.215 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.932 -14.559 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.123 -12.982 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.427 -11.927 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.910 -13.419 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.127 -14.834 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.442 -14.814 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.266 -13.084 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.544 -13.676 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.901 -12.724 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.072 -14.401 5.040 1.00 0.00 H new ATOM 152 N GLY A 31 5.817 -13.953 3.578 1.00 0.00 N ATOM 153 CA GLY A 31 4.609 -14.762 3.560 1.00 0.00 C ATOM 154 C GLY A 31 3.425 -13.967 3.008 1.00 0.00 C ATOM 155 O GLY A 31 2.651 -14.479 2.200 1.00 0.00 O ATOM 0 H GLY A 31 6.094 -13.579 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.771 -15.650 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.382 -15.106 4.569 1.00 0.00 H new ATOM 159 N PHE A 32 3.319 -12.727 3.466 1.00 0.00 N ATOM 160 CA PHE A 32 2.240 -11.857 3.028 1.00 0.00 C ATOM 161 C PHE A 32 2.015 -11.981 1.520 1.00 0.00 C ATOM 162 O PHE A 32 2.850 -12.532 0.806 1.00 0.00 O ATOM 163 CB PHE A 32 2.665 -10.422 3.352 1.00 0.00 C ATOM 164 CG PHE A 32 2.072 -9.877 4.652 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.244 -10.558 5.816 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.373 -8.709 4.643 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.693 -10.051 7.024 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.822 -8.204 5.850 1.00 0.00 C ATOM 169 CZ PHE A 32 0.994 -8.885 7.014 1.00 0.00 C ATOM 0 H PHE A 32 3.962 -12.305 4.135 1.00 0.00 H new ATOM 0 HA PHE A 32 1.312 -12.131 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.752 -10.381 3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.369 -9.772 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.799 -11.484 5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.238 -8.167 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.829 -10.591 7.949 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.266 -7.278 5.844 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.575 -8.499 7.932 1.00 0.00 H new ATOM 179 N PRO A 33 0.848 -11.447 1.069 1.00 0.00 N ATOM 180 CA PRO A 33 0.500 -11.492 -0.342 1.00 0.00 C ATOM 181 C PRO A 33 1.317 -10.474 -1.140 1.00 0.00 C ATOM 182 O PRO A 33 1.414 -9.311 -0.755 1.00 0.00 O ATOM 183 CB PRO A 33 -0.994 -11.221 -0.387 1.00 0.00 C ATOM 184 CG PRO A 33 -1.341 -10.577 0.945 1.00 0.00 C ATOM 185 CD PRO A 33 -0.166 -10.787 1.885 1.00 0.00 C ATOM 0 HA PRO A 33 0.731 -12.453 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.246 -10.561 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.554 -12.145 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.540 -9.513 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.246 -11.022 1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.199 -9.839 2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.448 -11.402 2.740 1.00 0.00 H new ATOM 193 N THR A 34 1.883 -10.950 -2.241 1.00 0.00 N ATOM 194 CA THR A 34 2.688 -10.096 -3.097 1.00 0.00 C ATOM 195 C THR A 34 2.325 -10.321 -4.566 1.00 0.00 C ATOM 196 O THR A 34 3.153 -10.119 -5.453 1.00 0.00 O ATOM 197 CB THR A 34 4.160 -10.369 -2.788 1.00 0.00 C ATOM 198 OG1 THR A 34 4.375 -11.696 -3.260 1.00 0.00 O ATOM 199 CG2 THR A 34 4.436 -10.460 -1.286 1.00 0.00 C ATOM 0 H THR A 34 1.799 -11.916 -2.559 1.00 0.00 H new ATOM 0 HA THR A 34 2.490 -9.042 -2.902 1.00 0.00 H new ATOM 0 HB THR A 34 4.773 -9.580 -3.223 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.307 -11.953 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.496 -10.655 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.162 -9.520 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.847 -11.270 -0.856 1.00 0.00 H new ATOM 207 N ASP A 35 1.085 -10.735 -4.779 1.00 0.00 N ATOM 208 CA ASP A 35 0.601 -10.989 -6.125 1.00 0.00 C ATOM 209 C ASP A 35 -0.614 -10.101 -6.403 1.00 0.00 C ATOM 210 O ASP A 35 -1.380 -9.789 -5.492 1.00 0.00 O ATOM 211 CB ASP A 35 0.167 -12.447 -6.289 1.00 0.00 C ATOM 212 CG ASP A 35 1.301 -13.429 -6.591 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.094 -13.118 -7.506 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.350 -14.470 -5.900 1.00 0.00 O ATOM 0 H ASP A 35 0.400 -10.901 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 35 1.412 -10.773 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.336 -12.766 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.567 -12.504 -7.093 1.00 0.00 H new ATOM 219 N TYR A 36 -0.753 -9.719 -7.664 1.00 0.00 N ATOM 220 CA TYR A 36 -1.861 -8.873 -8.072 1.00 0.00 C ATOM 221 C TYR A 36 -3.202 -9.502 -7.687 1.00 0.00 C ATOM 222 O TYR A 36 -4.033 -8.857 -7.050 1.00 0.00 O ATOM 223 CB TYR A 36 -1.777 -8.775 -9.597 1.00 0.00 C ATOM 224 CG TYR A 36 -0.843 -7.672 -10.100 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.505 -7.727 -9.814 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.350 -6.623 -10.837 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.385 -6.690 -10.286 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.471 -5.584 -11.311 1.00 0.00 C ATOM 229 CZ TYR A 36 0.853 -5.669 -11.012 1.00 0.00 C ATOM 230 OH TYR A 36 1.683 -4.689 -11.458 1.00 0.00 O ATOM 0 H TYR A 36 -0.116 -9.980 -8.417 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.800 -7.899 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.439 -9.732 -9.994 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.776 -8.600 -9.995 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.901 -8.549 -9.235 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.406 -6.580 -11.059 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.443 -6.721 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.855 -4.757 -11.890 1.00 0.00 H new ATOM 0 HH TYR A 36 1.409 -4.412 -12.357 1.00 0.00 H new ATOM 240 N ASP A 37 -3.370 -10.753 -8.089 1.00 0.00 N ATOM 241 CA ASP A 37 -4.595 -11.476 -7.794 1.00 0.00 C ATOM 242 C ASP A 37 -4.806 -11.515 -6.277 1.00 0.00 C ATOM 243 O ASP A 37 -5.899 -11.226 -5.792 1.00 0.00 O ATOM 244 CB ASP A 37 -4.519 -12.918 -8.297 1.00 0.00 C ATOM 245 CG ASP A 37 -5.107 -13.149 -9.691 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.314 -12.863 -9.851 1.00 0.00 O ATOM 247 OD2 ASP A 37 -4.338 -13.605 -10.564 1.00 0.00 O ATOM 0 H ASP A 37 -2.678 -11.285 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.417 -10.963 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.475 -13.230 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.040 -13.562 -7.588 1.00 0.00 H new ATOM 252 N SER A 38 -3.743 -11.876 -5.575 1.00 0.00 N ATOM 253 CA SER A 38 -3.798 -11.956 -4.124 1.00 0.00 C ATOM 254 C SER A 38 -4.244 -10.614 -3.541 1.00 0.00 C ATOM 255 O SER A 38 -5.192 -10.557 -2.760 1.00 0.00 O ATOM 256 CB SER A 38 -2.443 -12.363 -3.544 1.00 0.00 C ATOM 257 OG SER A 38 -2.573 -12.998 -2.274 1.00 0.00 O ATOM 0 H SER A 38 -2.839 -12.116 -5.982 1.00 0.00 H new ATOM 0 HA SER A 38 -4.525 -12.721 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.940 -13.038 -4.237 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.812 -11.480 -3.445 1.00 0.00 H new ATOM 0 HG SER A 38 -1.771 -13.531 -2.091 1.00 0.00 H new ATOM 263 N ILE A 39 -3.540 -9.567 -3.945 1.00 0.00 N ATOM 264 CA ILE A 39 -3.852 -8.228 -3.473 1.00 0.00 C ATOM 265 C ILE A 39 -5.246 -7.832 -3.962 1.00 0.00 C ATOM 266 O ILE A 39 -6.010 -7.204 -3.230 1.00 0.00 O ATOM 267 CB ILE A 39 -2.754 -7.245 -3.884 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.402 -7.656 -3.295 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.132 -5.812 -3.509 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.248 -7.037 -4.086 1.00 0.00 C ATOM 0 H ILE A 39 -2.755 -9.618 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.877 -8.204 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.655 -7.277 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.344 -7.340 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.312 -8.742 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.334 -5.134 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.056 -5.535 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.275 -5.744 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.701 -7.345 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.295 -7.374 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.327 -5.950 -4.054 1.00 0.00 H new ATOM 282 N LYS A 40 -5.536 -8.214 -5.198 1.00 0.00 N ATOM 283 CA LYS A 40 -6.826 -7.907 -5.793 1.00 0.00 C ATOM 284 C LYS A 40 -7.940 -8.338 -4.837 1.00 0.00 C ATOM 285 O LYS A 40 -8.864 -7.572 -4.569 1.00 0.00 O ATOM 286 CB LYS A 40 -6.935 -8.529 -7.185 1.00 0.00 C ATOM 287 CG LYS A 40 -8.165 -8.001 -7.928 1.00 0.00 C ATOM 288 CD LYS A 40 -8.297 -8.656 -9.304 1.00 0.00 C ATOM 289 CE LYS A 40 -7.664 -7.784 -10.389 1.00 0.00 C ATOM 290 NZ LYS A 40 -6.372 -8.359 -10.828 1.00 0.00 N ATOM 0 H LYS A 40 -4.900 -8.733 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.931 -6.832 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.036 -8.305 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.996 -9.614 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.062 -8.198 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.089 -6.920 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.817 -9.634 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.350 -8.820 -9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.341 -7.703 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.509 -6.775 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.956 -7.755 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.723 -8.414 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.529 -9.313 -11.211 1.00 0.00 H new ATOM 304 N ARG A 41 -7.816 -9.564 -4.349 1.00 0.00 N ATOM 305 CA ARG A 41 -8.801 -10.106 -3.430 1.00 0.00 C ATOM 306 C ARG A 41 -8.595 -9.528 -2.028 1.00 0.00 C ATOM 307 O ARG A 41 -9.548 -9.390 -1.264 1.00 0.00 O ATOM 308 CB ARG A 41 -8.709 -11.633 -3.362 1.00 0.00 C ATOM 309 CG ARG A 41 -9.403 -12.277 -4.563 1.00 0.00 C ATOM 310 CD ARG A 41 -8.430 -12.450 -5.731 1.00 0.00 C ATOM 311 NE ARG A 41 -8.930 -13.488 -6.658 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.982 -13.325 -7.473 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.648 -12.162 -7.481 1.00 0.00 N ATOM 314 NH2 ARG A 41 -10.365 -14.322 -8.280 1.00 0.00 N ATOM 0 H ARG A 41 -7.048 -10.197 -4.573 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.788 -9.828 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.663 -11.937 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.167 -11.988 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.808 -13.247 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.245 -11.659 -4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.313 -11.504 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.445 -12.730 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.444 -14.384 -6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.354 -11.402 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.448 -12.037 -8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.856 -15.206 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.165 -14.198 -8.900 1.00 0.00 H new ATOM 328 N LYS A 42 -7.343 -9.204 -1.734 1.00 0.00 N ATOM 329 CA LYS A 42 -7.000 -8.643 -0.439 1.00 0.00 C ATOM 330 C LYS A 42 -7.652 -7.266 -0.296 1.00 0.00 C ATOM 331 O LYS A 42 -8.130 -6.910 0.781 1.00 0.00 O ATOM 332 CB LYS A 42 -5.482 -8.628 -0.246 1.00 0.00 C ATOM 333 CG LYS A 42 -5.114 -8.815 1.226 1.00 0.00 C ATOM 334 CD LYS A 42 -4.816 -10.284 1.533 1.00 0.00 C ATOM 335 CE LYS A 42 -6.076 -11.014 2.002 1.00 0.00 C ATOM 336 NZ LYS A 42 -5.824 -11.711 3.284 1.00 0.00 N ATOM 0 H LYS A 42 -6.555 -9.320 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.393 -9.268 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.029 -9.421 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.075 -7.684 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.243 -8.205 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.932 -8.466 1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.419 -10.772 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.046 -10.349 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.892 -10.302 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.390 -11.733 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.689 -12.201 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.059 -12.404 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.546 -11.017 4.008 1.00 0.00 H new ATOM 350 N ILE A 43 -7.650 -6.528 -1.396 1.00 0.00 N ATOM 351 CA ILE A 43 -8.235 -5.198 -1.406 1.00 0.00 C ATOM 352 C ILE A 43 -9.749 -5.310 -1.212 1.00 0.00 C ATOM 353 O ILE A 43 -10.314 -4.671 -0.326 1.00 0.00 O ATOM 354 CB ILE A 43 -7.831 -4.446 -2.675 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.310 -4.392 -2.822 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.459 -3.050 -2.707 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.898 -4.457 -4.294 1.00 0.00 C ATOM 0 H ILE A 43 -7.252 -6.826 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.850 -4.605 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.217 -4.995 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.930 -3.473 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.859 -5.222 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.156 -2.536 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.545 -3.139 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.123 -2.480 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.811 -4.417 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.258 -5.388 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.331 -3.613 -4.831 1.00 0.00 H new ATOM 369 N SER A 44 -10.363 -6.127 -2.055 1.00 0.00 N ATOM 370 CA SER A 44 -11.799 -6.331 -1.988 1.00 0.00 C ATOM 371 C SER A 44 -12.163 -7.070 -0.699 1.00 0.00 C ATOM 372 O SER A 44 -13.277 -6.933 -0.192 1.00 0.00 O ATOM 373 CB SER A 44 -12.303 -7.109 -3.204 1.00 0.00 C ATOM 374 OG SER A 44 -13.720 -7.023 -3.344 1.00 0.00 O ATOM 0 H SER A 44 -9.891 -6.656 -2.789 1.00 0.00 H new ATOM 0 HA SER A 44 -12.283 -5.354 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.826 -6.723 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.011 -8.155 -3.112 1.00 0.00 H new ATOM 0 HG SER A 44 -14.002 -7.532 -4.133 1.00 0.00 H new ATOM 380 N GLU A 45 -11.203 -7.836 -0.202 1.00 0.00 N ATOM 381 CA GLU A 45 -11.408 -8.596 1.019 1.00 0.00 C ATOM 382 C GLU A 45 -11.609 -7.651 2.206 1.00 0.00 C ATOM 383 O GLU A 45 -12.135 -8.054 3.241 1.00 0.00 O ATOM 384 CB GLU A 45 -10.242 -9.554 1.271 1.00 0.00 C ATOM 385 CG GLU A 45 -10.492 -10.910 0.607 1.00 0.00 C ATOM 386 CD GLU A 45 -10.749 -11.994 1.654 1.00 0.00 C ATOM 387 OE1 GLU A 45 -10.102 -11.919 2.720 1.00 0.00 O ATOM 388 OE2 GLU A 45 -11.587 -12.874 1.364 1.00 0.00 O ATOM 0 H GLU A 45 -10.281 -7.947 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.310 -9.197 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.320 -9.120 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.104 -9.690 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.348 -10.838 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.631 -11.185 -0.002 1.00 0.00 H new ATOM 395 N LEU A 46 -11.178 -6.414 2.014 1.00 0.00 N ATOM 396 CA LEU A 46 -11.302 -5.408 3.056 1.00 0.00 C ATOM 397 C LEU A 46 -12.565 -4.580 2.810 1.00 0.00 C ATOM 398 O LEU A 46 -13.090 -3.953 3.729 1.00 0.00 O ATOM 399 CB LEU A 46 -10.026 -4.571 3.148 1.00 0.00 C ATOM 400 CG LEU A 46 -9.922 -3.396 2.173 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.040 -2.060 2.909 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.638 -3.482 1.346 1.00 0.00 C ATOM 0 H LEU A 46 -10.742 -6.085 1.153 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.415 -5.881 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.942 -4.183 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.172 -5.228 2.986 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.759 -3.455 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.963 -1.242 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.003 -2.008 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.238 -1.977 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.589 -2.635 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.775 -3.461 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.634 -4.411 0.775 1.00 0.00 H new ATOM 414 N GLY A 47 -13.018 -4.603 1.564 1.00 0.00 N ATOM 415 CA GLY A 47 -14.208 -3.862 1.186 1.00 0.00 C ATOM 416 C GLY A 47 -13.863 -2.725 0.222 1.00 0.00 C ATOM 417 O GLY A 47 -14.505 -1.675 0.239 1.00 0.00 O ATOM 0 H GLY A 47 -12.581 -5.124 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.926 -4.535 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.686 -3.455 2.077 1.00 0.00 H new ATOM 421 N PHE A 48 -12.849 -2.972 -0.595 1.00 0.00 N ATOM 422 CA PHE A 48 -12.412 -1.981 -1.564 1.00 0.00 C ATOM 423 C PHE A 48 -12.553 -2.513 -2.993 1.00 0.00 C ATOM 424 O PHE A 48 -12.947 -3.659 -3.196 1.00 0.00 O ATOM 425 CB PHE A 48 -10.935 -1.701 -1.281 1.00 0.00 C ATOM 426 CG PHE A 48 -10.694 -0.794 -0.072 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.748 -0.207 0.557 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.428 -0.575 0.372 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.523 0.634 1.679 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.204 0.268 1.493 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.258 0.853 2.123 1.00 0.00 C ATOM 0 H PHE A 48 -12.318 -3.843 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.021 -1.081 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.421 -2.648 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.488 -1.241 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.754 -0.380 0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.592 -1.042 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.359 1.100 2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.198 0.444 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.089 1.492 2.977 1.00 0.00 H new ATOM 441 N ASP A 49 -12.222 -1.652 -3.946 1.00 0.00 N ATOM 442 CA ASP A 49 -12.307 -2.020 -5.348 1.00 0.00 C ATOM 443 C ASP A 49 -10.906 -1.994 -5.964 1.00 0.00 C ATOM 444 O ASP A 49 -9.989 -1.398 -5.401 1.00 0.00 O ATOM 445 CB ASP A 49 -13.183 -1.034 -6.124 1.00 0.00 C ATOM 446 CG ASP A 49 -14.451 -1.636 -6.732 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.413 -1.832 -5.958 1.00 0.00 O ATOM 448 OD2 ASP A 49 -14.430 -1.884 -7.957 1.00 0.00 O ATOM 0 H ASP A 49 -11.895 -0.701 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.744 -3.017 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.469 -0.222 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.588 -0.594 -6.924 1.00 0.00 H new ATOM 453 N VAL A 50 -10.786 -2.648 -7.110 1.00 0.00 N ATOM 454 CA VAL A 50 -9.514 -2.706 -7.807 1.00 0.00 C ATOM 455 C VAL A 50 -9.751 -2.537 -9.309 1.00 0.00 C ATOM 456 O VAL A 50 -10.586 -3.230 -9.891 1.00 0.00 O ATOM 457 CB VAL A 50 -8.786 -4.006 -7.460 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.713 -5.214 -7.623 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.521 -4.169 -8.304 1.00 0.00 C ATOM 0 H VAL A 50 -11.549 -3.142 -7.573 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.866 -1.890 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.486 -3.952 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.171 -6.125 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.571 -5.106 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.058 -5.271 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.023 -5.101 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.789 -4.190 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.848 -3.332 -8.117 1.00 0.00 H new ATOM 469 N LYS A 51 -9.004 -1.612 -9.894 1.00 0.00 N ATOM 470 CA LYS A 51 -9.124 -1.344 -11.317 1.00 0.00 C ATOM 471 C LYS A 51 -7.820 -1.735 -12.016 1.00 0.00 C ATOM 472 O LYS A 51 -6.737 -1.574 -11.455 1.00 0.00 O ATOM 473 CB LYS A 51 -9.536 0.111 -11.555 1.00 0.00 C ATOM 474 CG LYS A 51 -10.652 0.527 -10.595 1.00 0.00 C ATOM 475 CD LYS A 51 -11.948 -0.225 -10.901 1.00 0.00 C ATOM 476 CE LYS A 51 -13.137 0.736 -10.970 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.065 0.337 -12.052 1.00 0.00 N ATOM 0 H LYS A 51 -8.314 -1.039 -9.409 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.916 -1.952 -11.754 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.673 0.764 -11.421 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.872 0.234 -12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.346 0.328 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.823 1.601 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.850 -0.756 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.127 -0.976 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.663 0.742 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.782 1.752 -11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.866 1.000 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.564 0.354 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.418 -0.624 -11.870 1.00 0.00 H new ATOM 491 N SER A 52 -7.967 -2.240 -13.232 1.00 0.00 N ATOM 492 CA SER A 52 -6.814 -2.656 -14.015 1.00 0.00 C ATOM 493 C SER A 52 -6.497 -1.602 -15.077 1.00 0.00 C ATOM 494 O SER A 52 -7.302 -1.356 -15.974 1.00 0.00 O ATOM 495 CB SER A 52 -7.057 -4.016 -14.671 1.00 0.00 C ATOM 496 OG SER A 52 -8.316 -4.071 -15.336 1.00 0.00 O ATOM 0 H SER A 52 -8.866 -2.371 -13.695 1.00 0.00 H new ATOM 0 HA SER A 52 -5.960 -2.754 -13.344 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.260 -4.221 -15.386 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.013 -4.797 -13.912 1.00 0.00 H new ATOM 0 HG SER A 52 -8.458 -3.240 -15.836 1.00 0.00 H new ATOM 502 N GLU A 53 -5.320 -1.007 -14.941 1.00 0.00 N ATOM 503 CA GLU A 53 -4.885 0.014 -15.878 1.00 0.00 C ATOM 504 C GLU A 53 -3.621 -0.440 -16.610 1.00 0.00 C ATOM 505 O GLU A 53 -2.508 -0.202 -16.142 1.00 0.00 O ATOM 506 CB GLU A 53 -4.657 1.349 -15.166 1.00 0.00 C ATOM 507 CG GLU A 53 -5.897 2.239 -15.260 1.00 0.00 C ATOM 508 CD GLU A 53 -5.727 3.303 -16.348 1.00 0.00 C ATOM 509 OE1 GLU A 53 -4.802 4.129 -16.194 1.00 0.00 O ATOM 510 OE2 GLU A 53 -6.528 3.265 -17.307 1.00 0.00 O ATOM 0 H GLU A 53 -4.655 -1.213 -14.196 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.674 0.163 -16.615 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.412 1.170 -14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.803 1.861 -15.610 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.772 1.627 -15.478 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.077 2.721 -14.299 1.00 0.00 H new ATOM 517 N GLY A 54 -3.834 -1.087 -17.745 1.00 0.00 N ATOM 518 CA GLY A 54 -2.725 -1.577 -18.548 1.00 0.00 C ATOM 519 C GLY A 54 -2.071 -2.795 -17.891 1.00 0.00 C ATOM 520 O GLY A 54 -2.636 -3.888 -17.901 1.00 0.00 O ATOM 0 H GLY A 54 -4.758 -1.284 -18.129 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.081 -1.843 -19.543 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.985 -0.786 -18.675 1.00 0.00 H new ATOM 524 N ASP A 55 -0.890 -2.566 -17.338 1.00 0.00 N ATOM 525 CA ASP A 55 -0.152 -3.632 -16.679 1.00 0.00 C ATOM 526 C ASP A 55 0.041 -3.274 -15.203 1.00 0.00 C ATOM 527 O ASP A 55 0.632 -4.044 -14.447 1.00 0.00 O ATOM 528 CB ASP A 55 1.230 -3.814 -17.307 1.00 0.00 C ATOM 529 CG ASP A 55 1.228 -4.066 -18.815 1.00 0.00 C ATOM 530 OD1 ASP A 55 1.195 -3.060 -19.558 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.257 -5.257 -19.193 1.00 0.00 O ATOM 0 H ASP A 55 -0.425 -1.658 -17.332 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.721 -4.555 -16.788 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.825 -2.923 -17.104 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.729 -4.649 -16.815 1.00 0.00 H new ATOM 536 N LEU A 56 -0.468 -2.106 -14.838 1.00 0.00 N ATOM 537 CA LEU A 56 -0.358 -1.639 -13.467 1.00 0.00 C ATOM 538 C LEU A 56 -1.647 -1.974 -12.714 1.00 0.00 C ATOM 539 O LEU A 56 -2.686 -2.210 -13.328 1.00 0.00 O ATOM 540 CB LEU A 56 0.003 -0.152 -13.436 1.00 0.00 C ATOM 541 CG LEU A 56 1.281 0.244 -14.179 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.940 1.460 -13.525 1.00 0.00 C ATOM 543 CD2 LEU A 56 2.243 -0.941 -14.284 1.00 0.00 C ATOM 0 H LEU A 56 -0.957 -1.470 -15.468 1.00 0.00 H new ATOM 0 HA LEU A 56 0.455 -2.152 -12.953 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.829 0.412 -13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.101 0.156 -12.395 1.00 0.00 H new ATOM 0 HG LEU A 56 1.011 0.531 -15.195 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.846 1.721 -14.072 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.249 2.303 -13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.195 1.224 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.143 -0.633 -14.816 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.511 -1.281 -13.284 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.761 -1.754 -14.827 1.00 0.00 H new ATOM 555 N ILE A 57 -1.538 -1.984 -11.394 1.00 0.00 N ATOM 556 CA ILE A 57 -2.680 -2.288 -10.549 1.00 0.00 C ATOM 557 C ILE A 57 -3.188 -0.997 -9.903 1.00 0.00 C ATOM 558 O ILE A 57 -2.394 -0.154 -9.486 1.00 0.00 O ATOM 559 CB ILE A 57 -2.327 -3.382 -9.542 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.457 -4.409 -9.428 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.961 -2.781 -8.184 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.228 -5.347 -8.242 1.00 0.00 C ATOM 0 H ILE A 57 -0.675 -1.786 -10.888 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.499 -2.691 -11.146 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.447 -3.911 -9.908 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.410 -3.894 -9.310 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.520 -4.989 -10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.714 -3.581 -7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.101 -2.121 -8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.807 -2.212 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.045 -6.066 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.286 -5.878 -8.375 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.190 -4.766 -7.321 1.00 0.00 H new ATOM 574 N ILE A 58 -4.505 -0.882 -9.841 1.00 0.00 N ATOM 575 CA ILE A 58 -5.129 0.291 -9.252 1.00 0.00 C ATOM 576 C ILE A 58 -5.993 -0.137 -8.064 1.00 0.00 C ATOM 577 O ILE A 58 -6.773 -1.082 -8.169 1.00 0.00 O ATOM 578 CB ILE A 58 -5.892 1.082 -10.315 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.042 1.274 -11.573 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.393 2.414 -9.753 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.758 2.044 -11.254 1.00 0.00 C ATOM 0 H ILE A 58 -5.159 -1.583 -10.189 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.371 0.972 -8.865 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.770 0.504 -10.605 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.792 0.302 -11.999 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.617 1.814 -12.326 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.932 2.957 -10.529 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.060 2.226 -8.912 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.544 3.009 -9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.172 2.167 -12.165 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.012 3.024 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.174 1.490 -10.519 1.00 0.00 H new ATOM 593 N ALA A 59 -5.825 0.581 -6.962 1.00 0.00 N ATOM 594 CA ALA A 59 -6.580 0.286 -5.756 1.00 0.00 C ATOM 595 C ALA A 59 -7.617 1.387 -5.529 1.00 0.00 C ATOM 596 O ALA A 59 -7.332 2.566 -5.732 1.00 0.00 O ATOM 597 CB ALA A 59 -5.618 0.138 -4.575 1.00 0.00 C ATOM 0 H ALA A 59 -5.178 1.365 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.117 -0.657 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.184 -0.083 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.920 -0.675 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.064 1.067 -4.438 1.00 0.00 H new ATOM 603 N SER A 60 -8.802 0.963 -5.110 1.00 0.00 N ATOM 604 CA SER A 60 -9.884 1.898 -4.853 1.00 0.00 C ATOM 605 C SER A 60 -10.158 1.979 -3.350 1.00 0.00 C ATOM 606 O SER A 60 -10.809 1.100 -2.786 1.00 0.00 O ATOM 607 CB SER A 60 -11.153 1.493 -5.604 1.00 0.00 C ATOM 608 OG SER A 60 -11.902 2.624 -6.035 1.00 0.00 O ATOM 0 H SER A 60 -9.035 -0.016 -4.942 1.00 0.00 H new ATOM 0 HA SER A 60 -9.580 2.881 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.884 0.885 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.774 0.872 -4.958 1.00 0.00 H new ATOM 0 HG SER A 60 -12.704 2.323 -6.512 1.00 0.00 H new ATOM 614 N ILE A 61 -9.650 3.042 -2.744 1.00 0.00 N ATOM 615 CA ILE A 61 -9.832 3.250 -1.317 1.00 0.00 C ATOM 616 C ILE A 61 -10.513 4.601 -1.086 1.00 0.00 C ATOM 617 O ILE A 61 -10.384 5.512 -1.900 1.00 0.00 O ATOM 618 CB ILE A 61 -8.502 3.096 -0.578 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.603 4.313 -0.810 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.807 1.790 -0.965 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.317 4.209 0.014 1.00 0.00 C ATOM 0 H ILE A 61 -9.112 3.769 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.489 2.486 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.709 3.046 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.356 4.391 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.139 5.223 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.864 1.706 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.448 0.947 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.613 1.785 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.696 5.086 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.567 4.156 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.771 3.311 -0.275 1.00 0.00 H new ATOM 633 N PRO A 62 -11.241 4.689 0.060 1.00 0.00 N ATOM 634 CA PRO A 62 -11.942 5.913 0.409 1.00 0.00 C ATOM 635 C PRO A 62 -10.964 6.981 0.907 1.00 0.00 C ATOM 636 O PRO A 62 -10.090 6.695 1.724 1.00 0.00 O ATOM 637 CB PRO A 62 -12.956 5.500 1.462 1.00 0.00 C ATOM 638 CG PRO A 62 -12.476 4.161 2.000 1.00 0.00 C ATOM 639 CD PRO A 62 -11.416 3.629 1.049 1.00 0.00 C ATOM 0 HA PRO A 62 -12.440 6.371 -0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.016 6.242 2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.953 5.413 1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.065 4.278 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.307 3.460 2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.484 3.418 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.736 2.698 0.580 1.00 0.00 H new ATOM 647 N GLY A 63 -11.146 8.188 0.393 1.00 0.00 N ATOM 648 CA GLY A 63 -10.291 9.300 0.776 1.00 0.00 C ATOM 649 C GLY A 63 -9.224 9.561 -0.288 1.00 0.00 C ATOM 650 O GLY A 63 -8.722 10.678 -0.409 1.00 0.00 O ATOM 0 H GLY A 63 -11.872 8.421 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.895 10.196 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.812 9.084 1.731 1.00 0.00 H new ATOM 654 N ILE A 64 -8.907 8.512 -1.033 1.00 0.00 N ATOM 655 CA ILE A 64 -7.907 8.614 -2.083 1.00 0.00 C ATOM 656 C ILE A 64 -8.600 8.576 -3.446 1.00 0.00 C ATOM 657 O ILE A 64 -9.662 7.973 -3.590 1.00 0.00 O ATOM 658 CB ILE A 64 -6.834 7.539 -1.908 1.00 0.00 C ATOM 659 CG1 ILE A 64 -5.985 7.808 -0.663 1.00 0.00 C ATOM 660 CG2 ILE A 64 -5.977 7.409 -3.169 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.662 7.256 0.593 1.00 0.00 C ATOM 0 H ILE A 64 -9.325 7.587 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.382 9.567 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.332 6.581 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.003 7.350 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.825 8.881 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.222 6.638 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.611 7.136 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.487 8.361 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.038 7.461 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.633 7.734 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.798 6.180 0.490 1.00 0.00 H new ATOM 673 N SER A 65 -7.970 9.227 -4.413 1.00 0.00 N ATOM 674 CA SER A 65 -8.513 9.275 -5.760 1.00 0.00 C ATOM 675 C SER A 65 -8.053 8.050 -6.553 1.00 0.00 C ATOM 676 O SER A 65 -8.872 7.235 -6.975 1.00 0.00 O ATOM 677 CB SER A 65 -8.094 10.560 -6.478 1.00 0.00 C ATOM 678 OG SER A 65 -9.057 11.598 -6.318 1.00 0.00 O ATOM 0 H SER A 65 -7.089 9.726 -4.290 1.00 0.00 H new ATOM 0 HA SER A 65 -9.601 9.268 -5.691 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.132 10.895 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.956 10.354 -7.539 1.00 0.00 H new ATOM 0 HG SER A 65 -8.600 12.438 -6.105 1.00 0.00 H new ATOM 684 N ARG A 66 -6.743 7.959 -6.733 1.00 0.00 N ATOM 685 CA ARG A 66 -6.164 6.847 -7.469 1.00 0.00 C ATOM 686 C ARG A 66 -4.714 6.624 -7.038 1.00 0.00 C ATOM 687 O ARG A 66 -3.962 7.582 -6.852 1.00 0.00 O ATOM 688 CB ARG A 66 -6.206 7.102 -8.977 1.00 0.00 C ATOM 689 CG ARG A 66 -5.942 8.575 -9.291 1.00 0.00 C ATOM 690 CD ARG A 66 -6.157 8.867 -10.778 1.00 0.00 C ATOM 691 NE ARG A 66 -5.052 9.704 -11.295 1.00 0.00 N ATOM 692 CZ ARG A 66 -4.855 9.971 -12.594 1.00 0.00 C ATOM 693 NH1 ARG A 66 -5.689 9.469 -13.514 1.00 0.00 N ATOM 694 NH2 ARG A 66 -3.826 10.741 -12.971 1.00 0.00 N ATOM 0 H ARG A 66 -6.066 8.637 -6.382 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.755 5.959 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.461 6.481 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.179 6.811 -9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.605 9.202 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.921 8.833 -9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.208 7.932 -11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.109 9.378 -10.923 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.399 10.103 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.473 8.884 -13.226 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.540 9.672 -14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.192 11.124 -12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.676 10.944 -13.959 1.00 0.00 H new ATOM 708 N ILE A 67 -4.361 5.355 -6.889 1.00 0.00 N ATOM 709 CA ILE A 67 -3.014 4.994 -6.483 1.00 0.00 C ATOM 710 C ILE A 67 -2.567 3.755 -7.261 1.00 0.00 C ATOM 711 O ILE A 67 -3.373 2.870 -7.542 1.00 0.00 O ATOM 712 CB ILE A 67 -2.940 4.827 -4.964 1.00 0.00 C ATOM 713 CG1 ILE A 67 -3.930 3.767 -4.479 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.141 6.168 -4.254 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.253 4.407 -4.051 1.00 0.00 C ATOM 0 H ILE A 67 -4.986 4.564 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.314 5.793 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.941 4.474 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.112 3.044 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.499 3.218 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.084 6.021 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.364 6.865 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.119 6.574 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.939 3.631 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.071 5.112 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.693 4.934 -4.898 1.00 0.00 H new ATOM 727 N GLU A 68 -1.283 3.731 -7.587 1.00 0.00 N ATOM 728 CA GLU A 68 -0.718 2.616 -8.326 1.00 0.00 C ATOM 729 C GLU A 68 0.144 1.750 -7.405 1.00 0.00 C ATOM 730 O GLU A 68 0.918 2.272 -6.602 1.00 0.00 O ATOM 731 CB GLU A 68 0.088 3.108 -9.530 1.00 0.00 C ATOM 732 CG GLU A 68 -0.711 2.952 -10.825 1.00 0.00 C ATOM 733 CD GLU A 68 -0.135 3.835 -11.934 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.503 4.851 -11.578 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.346 3.477 -13.112 1.00 0.00 O ATOM 0 H GLU A 68 -0.617 4.467 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.537 2.004 -8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.358 4.155 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.019 2.546 -9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.697 1.909 -11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.753 3.218 -10.648 1.00 0.00 H new ATOM 742 N ILE A 69 -0.017 0.444 -7.551 1.00 0.00 N ATOM 743 CA ILE A 69 0.738 -0.499 -6.743 1.00 0.00 C ATOM 744 C ILE A 69 1.473 -1.477 -7.661 1.00 0.00 C ATOM 745 O ILE A 69 0.933 -1.901 -8.682 1.00 0.00 O ATOM 746 CB ILE A 69 -0.176 -1.182 -5.723 1.00 0.00 C ATOM 747 CG1 ILE A 69 -0.693 -0.176 -4.692 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.528 -2.368 -5.063 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.732 0.760 -5.312 1.00 0.00 C ATOM 0 H ILE A 69 -0.660 0.016 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 69 1.497 0.022 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.043 -1.577 -6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.135 -0.708 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.139 0.408 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.144 -2.835 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.806 -3.096 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.424 -2.020 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.083 1.465 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.280 1.308 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.574 0.175 -5.682 1.00 0.00 H new ATOM 761 N LYS A 70 2.694 -1.808 -7.265 1.00 0.00 N ATOM 762 CA LYS A 70 3.509 -2.728 -8.038 1.00 0.00 C ATOM 763 C LYS A 70 4.188 -3.721 -7.093 1.00 0.00 C ATOM 764 O LYS A 70 5.266 -3.445 -6.569 1.00 0.00 O ATOM 765 CB LYS A 70 4.486 -1.959 -8.929 1.00 0.00 C ATOM 766 CG LYS A 70 3.949 -1.837 -10.357 1.00 0.00 C ATOM 767 CD LYS A 70 3.047 -0.609 -10.501 1.00 0.00 C ATOM 768 CE LYS A 70 3.870 0.638 -10.829 1.00 0.00 C ATOM 769 NZ LYS A 70 3.318 1.821 -10.133 1.00 0.00 N ATOM 0 H LYS A 70 3.138 -1.454 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 70 2.886 -3.310 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.656 -0.965 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.450 -2.468 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.781 -1.765 -11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.390 -2.736 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.313 -0.782 -11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.492 -0.450 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.907 0.485 -10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.869 0.809 -11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.098 2.420 -9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.724 2.365 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.743 1.511 -9.324 1.00 0.00 H new ATOM 783 N PRO A 71 3.512 -4.884 -6.898 1.00 0.00 N ATOM 784 CA PRO A 71 4.040 -5.918 -6.024 1.00 0.00 C ATOM 785 C PRO A 71 5.198 -6.662 -6.693 1.00 0.00 C ATOM 786 O PRO A 71 5.073 -7.122 -7.826 1.00 0.00 O ATOM 787 CB PRO A 71 2.853 -6.819 -5.720 1.00 0.00 C ATOM 788 CG PRO A 71 1.821 -6.527 -6.797 1.00 0.00 C ATOM 789 CD PRO A 71 2.233 -5.245 -7.503 1.00 0.00 C ATOM 0 HA PRO A 71 4.465 -5.516 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.146 -7.869 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.451 -6.614 -4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.766 -7.353 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.830 -6.419 -6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.332 -5.399 -8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.492 -4.459 -7.361 1.00 0.00 H new ATOM 797 N ASP A 72 6.298 -6.758 -5.960 1.00 0.00 N ATOM 798 CA ASP A 72 7.478 -7.437 -6.468 1.00 0.00 C ATOM 799 C ASP A 72 7.994 -8.413 -5.408 1.00 0.00 C ATOM 800 O ASP A 72 7.834 -8.177 -4.212 1.00 0.00 O ATOM 801 CB ASP A 72 8.597 -6.441 -6.778 1.00 0.00 C ATOM 802 CG ASP A 72 9.278 -6.636 -8.134 1.00 0.00 C ATOM 803 OD1 ASP A 72 8.535 -6.843 -9.118 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.527 -6.572 -8.158 1.00 0.00 O ATOM 0 H ASP A 72 6.397 -6.377 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 72 7.199 -7.960 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.187 -5.432 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.352 -6.511 -5.995 1.00 0.00 H new ATOM 809 N LYS A 73 8.604 -9.487 -5.887 1.00 0.00 N ATOM 810 CA LYS A 73 9.145 -10.500 -4.996 1.00 0.00 C ATOM 811 C LYS A 73 10.066 -9.833 -3.972 1.00 0.00 C ATOM 812 O LYS A 73 10.221 -10.326 -2.856 1.00 0.00 O ATOM 813 CB LYS A 73 9.820 -11.614 -5.797 1.00 0.00 C ATOM 814 CG LYS A 73 8.914 -12.841 -5.903 1.00 0.00 C ATOM 815 CD LYS A 73 9.735 -14.132 -5.900 1.00 0.00 C ATOM 816 CE LYS A 73 9.005 -15.249 -6.648 1.00 0.00 C ATOM 817 NZ LYS A 73 9.769 -16.514 -6.564 1.00 0.00 N ATOM 0 H LYS A 73 8.736 -9.678 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 73 8.343 -10.983 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.065 -11.251 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.760 -11.892 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.211 -12.851 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.324 -12.784 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.704 -13.952 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.927 -14.443 -4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.011 -15.389 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.870 -14.968 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.260 -17.262 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.709 -16.381 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.876 -16.789 -5.567 1.00 0.00 H new ATOM 831 N ARG A 74 10.653 -8.721 -4.388 1.00 0.00 N ATOM 832 CA ARG A 74 11.555 -7.981 -3.521 1.00 0.00 C ATOM 833 C ARG A 74 10.758 -7.162 -2.502 1.00 0.00 C ATOM 834 O ARG A 74 10.798 -7.449 -1.306 1.00 0.00 O ATOM 835 CB ARG A 74 12.450 -7.041 -4.331 1.00 0.00 C ATOM 836 CG ARG A 74 13.824 -6.893 -3.676 1.00 0.00 C ATOM 837 CD ARG A 74 14.813 -6.213 -4.625 1.00 0.00 C ATOM 838 NE ARG A 74 15.609 -7.234 -5.343 1.00 0.00 N ATOM 839 CZ ARG A 74 16.562 -6.951 -6.241 1.00 0.00 C ATOM 840 NH1 ARG A 74 16.844 -5.675 -6.537 1.00 0.00 N ATOM 841 NH2 ARG A 74 17.232 -7.942 -6.843 1.00 0.00 N ATOM 0 H ARG A 74 10.522 -8.314 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 74 12.183 -8.704 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.566 -7.426 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.976 -6.063 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.733 -6.309 -2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.203 -7.875 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.275 -5.591 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.474 -5.553 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 74 15.420 -8.216 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.333 -4.920 -6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.569 -5.458 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.017 -8.913 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.957 -7.725 -7.527 1.00 0.00 H new ATOM 855 N LYS A 75 10.056 -6.163 -3.012 1.00 0.00 N ATOM 856 CA LYS A 75 9.252 -5.303 -2.162 1.00 0.00 C ATOM 857 C LYS A 75 8.091 -4.727 -2.975 1.00 0.00 C ATOM 858 O LYS A 75 7.872 -5.127 -4.117 1.00 0.00 O ATOM 859 CB LYS A 75 10.127 -4.237 -1.499 1.00 0.00 C ATOM 860 CG LYS A 75 10.960 -3.487 -2.539 1.00 0.00 C ATOM 861 CD LYS A 75 12.452 -3.569 -2.211 1.00 0.00 C ATOM 862 CE LYS A 75 13.303 -3.283 -3.451 1.00 0.00 C ATOM 863 NZ LYS A 75 14.275 -2.203 -3.174 1.00 0.00 N ATOM 0 H LYS A 75 10.027 -5.929 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 75 8.814 -5.877 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.498 -3.532 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.787 -4.706 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.778 -3.908 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.649 -2.443 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.695 -2.853 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.689 -4.560 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.831 -4.187 -3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.660 -2.997 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.844 -2.021 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.765 -1.337 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.900 -2.490 -2.394 1.00 0.00 H new ATOM 877 N ILE A 76 7.380 -3.798 -2.356 1.00 0.00 N ATOM 878 CA ILE A 76 6.248 -3.163 -3.008 1.00 0.00 C ATOM 879 C ILE A 76 6.398 -1.642 -2.916 1.00 0.00 C ATOM 880 O ILE A 76 7.167 -1.140 -2.100 1.00 0.00 O ATOM 881 CB ILE A 76 4.932 -3.687 -2.429 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.619 -3.019 -1.089 1.00 0.00 C ATOM 883 CG2 ILE A 76 4.950 -5.212 -2.319 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.174 -3.292 -0.664 1.00 0.00 C ATOM 0 H ILE A 76 7.566 -3.469 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 76 6.227 -3.418 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 76 4.128 -3.424 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.303 -3.390 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.782 -1.944 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.003 -5.558 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.094 -5.646 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.766 -5.520 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.978 -2.806 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.492 -2.898 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.021 -4.366 -0.563 1.00 0.00 H new ATOM 896 N LEU A 77 5.650 -0.953 -3.767 1.00 0.00 N ATOM 897 CA LEU A 77 5.690 0.498 -3.792 1.00 0.00 C ATOM 898 C LEU A 77 4.327 1.035 -4.233 1.00 0.00 C ATOM 899 O LEU A 77 3.605 0.370 -4.975 1.00 0.00 O ATOM 900 CB LEU A 77 6.852 0.987 -4.660 1.00 0.00 C ATOM 901 CG LEU A 77 7.264 0.066 -5.810 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.860 -1.239 -5.281 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.092 -0.182 -6.760 1.00 0.00 C ATOM 0 H LEU A 77 5.013 -1.374 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 77 5.880 0.890 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.585 1.958 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.719 1.143 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 77 8.044 0.565 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.144 -1.875 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.741 -1.019 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.120 -1.755 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.412 -0.840 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.273 -0.650 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.754 0.767 -7.176 1.00 0.00 H new ATOM 915 N VAL A 78 4.015 2.230 -3.755 1.00 0.00 N ATOM 916 CA VAL A 78 2.750 2.864 -4.090 1.00 0.00 C ATOM 917 C VAL A 78 3.003 4.320 -4.484 1.00 0.00 C ATOM 918 O VAL A 78 3.908 4.964 -3.950 1.00 0.00 O ATOM 919 CB VAL A 78 1.769 2.720 -2.926 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.327 2.630 -3.432 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.120 1.508 -2.059 1.00 0.00 C ATOM 0 H VAL A 78 4.616 2.777 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 78 2.290 2.372 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 78 1.853 3.612 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.350 2.528 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.079 3.534 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.224 1.763 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.407 1.429 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.078 0.603 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.125 1.628 -1.655 1.00 0.00 H new ATOM 931 N ASN A 79 2.188 4.800 -5.411 1.00 0.00 N ATOM 932 CA ASN A 79 2.311 6.170 -5.881 1.00 0.00 C ATOM 933 C ASN A 79 0.919 6.795 -5.987 1.00 0.00 C ATOM 934 O ASN A 79 0.000 6.187 -6.534 1.00 0.00 O ATOM 935 CB ASN A 79 2.957 6.221 -7.265 1.00 0.00 C ATOM 936 CG ASN A 79 2.373 5.146 -8.184 1.00 0.00 C ATOM 937 OD1 ASN A 79 1.964 4.081 -7.754 1.00 0.00 O ATOM 938 ND2 ASN A 79 2.357 5.485 -9.470 1.00 0.00 N ATOM 0 H ASN A 79 1.439 4.265 -5.850 1.00 0.00 H new ATOM 0 HA ASN A 79 2.934 6.715 -5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.801 7.205 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.034 6.080 -7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.986 4.836 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.716 6.394 -9.762 1.00 0.00 H new ATOM 945 N THR A 80 0.805 8.004 -5.453 1.00 0.00 N ATOM 946 CA THR A 80 -0.459 8.718 -5.480 1.00 0.00 C ATOM 947 C THR A 80 -0.404 9.862 -6.495 1.00 0.00 C ATOM 948 O THR A 80 0.674 10.235 -6.955 1.00 0.00 O ATOM 949 CB THR A 80 -0.770 9.184 -4.056 1.00 0.00 C ATOM 950 OG1 THR A 80 0.298 10.071 -3.740 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.636 8.056 -3.030 1.00 0.00 C ATOM 0 H THR A 80 1.568 8.506 -4.999 1.00 0.00 H new ATOM 0 HA THR A 80 -1.271 8.071 -5.810 1.00 0.00 H new ATOM 0 HB THR A 80 -1.781 9.590 -4.019 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.175 10.422 -2.833 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.867 8.439 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.329 7.253 -3.280 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.384 7.672 -3.043 1.00 0.00 H new ATOM 959 N GLY A 81 -1.578 10.384 -6.813 1.00 0.00 N ATOM 960 CA GLY A 81 -1.677 11.479 -7.765 1.00 0.00 C ATOM 961 C GLY A 81 -2.239 12.737 -7.099 1.00 0.00 C ATOM 962 O GLY A 81 -1.484 13.625 -6.705 1.00 0.00 O ATOM 0 H GLY A 81 -2.469 10.070 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.693 11.693 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.318 11.186 -8.596 1.00 0.00 H new ATOM 966 N ASP A 82 -3.559 12.771 -6.992 1.00 0.00 N ATOM 967 CA ASP A 82 -4.231 13.905 -6.380 1.00 0.00 C ATOM 968 C ASP A 82 -5.234 13.399 -5.343 1.00 0.00 C ATOM 969 O ASP A 82 -6.291 12.879 -5.698 1.00 0.00 O ATOM 970 CB ASP A 82 -4.999 14.718 -7.423 1.00 0.00 C ATOM 971 CG ASP A 82 -5.786 15.907 -6.866 1.00 0.00 C ATOM 972 OD1 ASP A 82 -6.799 15.646 -6.181 1.00 0.00 O ATOM 973 OD2 ASP A 82 -5.356 17.049 -7.137 1.00 0.00 O ATOM 0 H ASP A 82 -4.181 12.032 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.473 14.537 -5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.292 15.086 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.691 14.054 -7.941 1.00 0.00 H new ATOM 978 N TYR A 83 -4.868 13.566 -4.080 1.00 0.00 N ATOM 979 CA TYR A 83 -5.724 13.132 -2.990 1.00 0.00 C ATOM 980 C TYR A 83 -7.071 13.857 -3.027 1.00 0.00 C ATOM 981 O TYR A 83 -7.200 14.902 -3.663 1.00 0.00 O ATOM 982 CB TYR A 83 -4.990 13.511 -1.701 1.00 0.00 C ATOM 983 CG TYR A 83 -4.282 12.338 -1.020 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.503 11.477 -1.765 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.421 12.145 0.339 1.00 0.00 C ATOM 986 CE1 TYR A 83 -2.838 10.373 -1.123 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.755 11.040 0.981 1.00 0.00 C ATOM 988 CZ TYR A 83 -2.996 10.210 0.218 1.00 0.00 C ATOM 989 OH TYR A 83 -2.366 9.168 0.823 1.00 0.00 O ATOM 0 H TYR A 83 -3.990 13.996 -3.788 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.922 12.062 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.255 14.284 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.705 13.946 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.392 11.631 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.029 12.822 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.227 9.689 -1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.857 10.875 2.044 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.788 8.327 0.549 1.00 0.00 H new ATOM 999 N ASP A 84 -8.040 13.273 -2.336 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.372 13.851 -2.283 1.00 0.00 C ATOM 1001 C ASP A 84 -9.261 15.355 -2.026 1.00 0.00 C ATOM 1002 O ASP A 84 -8.174 15.865 -1.760 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.194 13.236 -1.148 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.268 12.243 -1.592 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -12.149 12.669 -2.369 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -11.185 11.079 -1.144 1.00 0.00 O ATOM 0 H ASP A 84 -7.929 12.407 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.865 13.651 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.515 12.731 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.673 14.040 -0.589 1.00 0.00 H new ATOM 1011 N SER A 85 -10.402 16.023 -2.114 1.00 0.00 N ATOM 1012 CA SER A 85 -10.447 17.459 -1.894 1.00 0.00 C ATOM 1013 C SER A 85 -11.132 17.763 -0.561 1.00 0.00 C ATOM 1014 O SER A 85 -10.512 18.312 0.349 1.00 0.00 O ATOM 1015 CB SER A 85 -11.174 18.169 -3.038 1.00 0.00 C ATOM 1016 OG SER A 85 -12.504 17.686 -3.207 1.00 0.00 O ATOM 0 H SER A 85 -11.302 15.597 -2.335 1.00 0.00 H new ATOM 0 HA SER A 85 -9.423 17.832 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.200 19.241 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.617 18.028 -3.964 1.00 0.00 H new ATOM 0 HG SER A 85 -12.935 18.165 -3.945 1.00 0.00 H new ATOM 1022 N ASP A 86 -12.403 17.394 -0.487 1.00 0.00 N ATOM 1023 CA ASP A 86 -13.180 17.620 0.720 1.00 0.00 C ATOM 1024 C ASP A 86 -12.733 16.632 1.800 1.00 0.00 C ATOM 1025 O ASP A 86 -12.847 16.917 2.992 1.00 0.00 O ATOM 1026 CB ASP A 86 -14.672 17.399 0.465 1.00 0.00 C ATOM 1027 CG ASP A 86 -15.507 18.677 0.369 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -15.439 19.474 1.332 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -16.195 18.829 -0.664 1.00 0.00 O ATOM 0 H ASP A 86 -12.914 16.940 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.018 18.650 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.788 16.837 -0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.074 16.779 1.266 1.00 0.00 H new ATOM 1034 N ALA A 87 -12.236 15.492 1.346 1.00 0.00 N ATOM 1035 CA ALA A 87 -11.772 14.461 2.259 1.00 0.00 C ATOM 1036 C ALA A 87 -10.499 14.939 2.959 1.00 0.00 C ATOM 1037 O ALA A 87 -9.533 15.326 2.300 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.559 13.156 1.490 1.00 0.00 C ATOM 0 H ALA A 87 -12.144 15.259 0.357 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.518 14.268 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.211 12.383 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.500 12.843 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.814 13.311 0.709 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.537 14.897 4.281 1.00 0.00 N ATOM 1045 CA ASP A 88 -9.397 15.322 5.077 1.00 0.00 C ATOM 1046 C ASP A 88 -8.196 14.428 4.757 1.00 0.00 C ATOM 1047 O ASP A 88 -8.159 13.265 5.154 1.00 0.00 O ATOM 1048 CB ASP A 88 -9.693 15.198 6.573 1.00 0.00 C ATOM 1049 CG ASP A 88 -10.197 16.481 7.241 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -9.400 17.442 7.295 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -11.367 16.468 7.680 1.00 0.00 O ATOM 0 H ASP A 88 -11.339 14.575 4.823 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.187 16.364 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.437 14.415 6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.785 14.873 7.082 1.00 0.00 H new ATOM 1056 N LYS A 89 -7.243 15.007 4.042 1.00 0.00 N ATOM 1057 CA LYS A 89 -6.045 14.279 3.664 1.00 0.00 C ATOM 1058 C LYS A 89 -5.456 13.597 4.901 1.00 0.00 C ATOM 1059 O LYS A 89 -4.760 12.589 4.787 1.00 0.00 O ATOM 1060 CB LYS A 89 -5.059 15.203 2.946 1.00 0.00 C ATOM 1061 CG LYS A 89 -5.557 15.549 1.540 1.00 0.00 C ATOM 1062 CD LYS A 89 -6.600 16.666 1.589 1.00 0.00 C ATOM 1063 CE LYS A 89 -6.506 17.558 0.349 1.00 0.00 C ATOM 1064 NZ LYS A 89 -6.259 18.965 0.740 1.00 0.00 N ATOM 0 H LYS A 89 -7.277 15.972 3.715 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.288 13.493 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.925 16.118 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.084 14.721 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.717 15.858 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.989 14.663 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.598 16.234 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.452 17.267 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.702 17.208 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.430 17.491 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.198 19.557 -0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.040 19.301 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.366 19.027 1.269 1.00 0.00 H new ATOM 1078 N LEU A 90 -5.758 14.174 6.055 1.00 0.00 N ATOM 1079 CA LEU A 90 -5.268 13.633 7.312 1.00 0.00 C ATOM 1080 C LEU A 90 -6.084 12.392 7.682 1.00 0.00 C ATOM 1081 O LEU A 90 -5.548 11.439 8.246 1.00 0.00 O ATOM 1082 CB LEU A 90 -5.268 14.714 8.395 1.00 0.00 C ATOM 1083 CG LEU A 90 -3.952 15.469 8.590 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -3.752 16.516 7.494 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -3.873 16.084 9.989 1.00 0.00 C ATOM 0 H LEU A 90 -6.335 15.010 6.146 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.231 13.314 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.047 15.438 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.542 14.251 9.343 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.134 14.753 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.809 17.038 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.732 16.025 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.573 17.233 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.927 16.615 10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.699 16.782 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.936 15.294 10.738 1.00 0.00 H new ATOM 1097 N ALA A 91 -7.365 12.445 7.349 1.00 0.00 N ATOM 1098 CA ALA A 91 -8.258 11.337 7.639 1.00 0.00 C ATOM 1099 C ALA A 91 -7.993 10.201 6.649 1.00 0.00 C ATOM 1100 O ALA A 91 -7.786 9.057 7.052 1.00 0.00 O ATOM 1101 CB ALA A 91 -9.708 11.825 7.593 1.00 0.00 C ATOM 0 H ALA A 91 -7.805 13.237 6.881 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.076 10.949 8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.379 10.994 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.851 12.611 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.928 12.219 6.601 1.00 0.00 H new ATOM 1107 N VAL A 92 -8.009 10.557 5.373 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.772 9.581 4.322 1.00 0.00 C ATOM 1109 C VAL A 92 -6.440 8.874 4.578 1.00 0.00 C ATOM 1110 O VAL A 92 -6.295 7.688 4.288 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.834 10.260 2.953 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.071 11.154 2.840 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.556 11.055 2.677 1.00 0.00 C ATOM 0 H VAL A 92 -8.182 11.506 5.043 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.551 8.819 4.328 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.914 9.480 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.091 11.625 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.969 10.551 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.035 11.924 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.626 11.528 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.432 11.822 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.698 10.383 2.695 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.498 9.632 5.122 1.00 0.00 N ATOM 1124 CA VAL A 93 -4.183 9.094 5.420 1.00 0.00 C ATOM 1125 C VAL A 93 -4.328 7.905 6.372 1.00 0.00 C ATOM 1126 O VAL A 93 -3.690 6.870 6.182 1.00 0.00 O ATOM 1127 CB VAL A 93 -3.279 10.197 5.974 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -2.174 9.610 6.854 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.689 11.043 4.844 1.00 0.00 C ATOM 0 H VAL A 93 -5.621 10.615 5.364 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.705 8.727 4.512 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.891 10.850 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.546 10.415 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.622 9.073 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.566 8.923 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.051 11.819 5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.099 10.407 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.496 11.506 4.276 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.168 8.093 7.379 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.404 7.050 8.363 1.00 0.00 C ATOM 1141 C ARG A 94 -6.038 5.827 7.695 1.00 0.00 C ATOM 1142 O ARG A 94 -5.813 4.696 8.123 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.322 7.544 9.482 1.00 0.00 C ATOM 1144 CG ARG A 94 -5.584 8.512 10.409 1.00 0.00 C ATOM 1145 CD ARG A 94 -5.012 7.780 11.623 1.00 0.00 C ATOM 1146 NE ARG A 94 -6.112 7.255 12.462 1.00 0.00 N ATOM 1147 CZ ARG A 94 -6.803 7.992 13.342 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -6.512 9.290 13.503 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -7.786 7.431 14.060 1.00 0.00 N ATOM 0 H ARG A 94 -5.694 8.953 7.535 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.441 6.777 8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.192 8.039 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.691 6.694 10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.778 9.002 9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.266 9.295 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.371 6.962 11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.390 8.458 12.207 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.360 6.270 12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.765 9.717 12.956 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.038 9.851 14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.008 6.443 13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.312 7.992 14.730 1.00 0.00 H new ATOM 1163 N THR A 95 -6.819 6.096 6.659 1.00 0.00 N ATOM 1164 CA THR A 95 -7.486 5.032 5.929 1.00 0.00 C ATOM 1165 C THR A 95 -6.559 4.456 4.857 1.00 0.00 C ATOM 1166 O THR A 95 -6.701 3.298 4.465 1.00 0.00 O ATOM 1167 CB THR A 95 -8.794 5.594 5.364 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.661 5.654 6.493 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.488 4.618 4.412 1.00 0.00 C ATOM 0 H THR A 95 -7.005 7.036 6.308 1.00 0.00 H new ATOM 0 HA THR A 95 -7.730 4.196 6.585 1.00 0.00 H new ATOM 0 HB THR A 95 -8.592 6.529 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.532 6.009 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.410 5.066 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.828 4.397 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.721 3.695 4.943 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.632 5.291 4.413 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.680 4.880 3.394 1.00 0.00 C ATOM 1179 C TYR A 96 -3.621 3.944 3.979 1.00 0.00 C ATOM 1180 O TYR A 96 -3.429 2.832 3.488 1.00 0.00 O ATOM 1181 CB TYR A 96 -4.000 6.161 2.909 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.757 5.920 2.053 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.881 5.734 0.691 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.508 5.891 2.641 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.711 5.506 -0.116 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.337 5.663 1.834 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.497 5.482 0.496 1.00 0.00 C ATOM 1188 OH TYR A 96 0.610 5.269 -0.266 1.00 0.00 O ATOM 0 H TYR A 96 -5.519 6.251 4.740 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.186 4.346 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.718 6.745 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.721 6.762 3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.857 5.760 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.409 6.039 3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.795 5.358 -1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.646 5.636 2.281 1.00 0.00 H new ATOM 0 HH TYR A 96 1.386 5.131 0.316 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.958 4.429 5.020 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.923 3.650 5.676 1.00 0.00 C ATOM 1200 C ASN A 97 -2.520 2.334 6.176 1.00 0.00 C ATOM 1201 O ASN A 97 -1.879 1.287 6.100 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.351 4.399 6.881 1.00 0.00 C ATOM 1203 CG ASN A 97 0.039 4.958 6.571 1.00 0.00 C ATOM 1204 OD1 ASN A 97 0.922 4.265 6.094 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.181 6.247 6.866 1.00 0.00 N ATOM 0 H ASN A 97 -3.118 5.352 5.424 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.128 3.470 4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.020 5.213 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.294 3.727 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.071 6.714 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.600 6.768 7.264 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.743 2.429 6.679 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.435 1.259 7.191 1.00 0.00 C ATOM 1214 C ASP A 98 -4.479 0.181 6.108 1.00 0.00 C ATOM 1215 O ASP A 98 -4.329 -1.005 6.399 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.875 1.597 7.581 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.611 0.500 8.351 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -6.027 0.011 9.342 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.743 0.173 7.931 1.00 0.00 O ATOM 0 H ASP A 98 -4.272 3.299 6.743 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.896 0.908 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.868 2.503 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.437 1.824 6.675 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.684 0.631 4.879 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.750 -0.279 3.749 1.00 0.00 C ATOM 1226 C PHE A 99 -3.353 -0.769 3.356 1.00 0.00 C ATOM 1227 O PHE A 99 -3.176 -1.934 3.008 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.350 0.501 2.579 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.133 -0.157 1.214 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.960 0.027 0.550 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.110 -0.924 0.666 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.758 -0.582 -0.716 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.910 -1.536 -0.600 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.737 -1.351 -1.265 1.00 0.00 C ATOM 0 H PHE A 99 -4.807 1.615 4.641 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.352 -1.150 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.420 0.621 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.916 1.501 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.182 0.637 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.041 -1.069 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.827 -0.435 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.687 -2.147 -1.034 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.583 -1.815 -2.228 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.399 0.148 3.427 1.00 0.00 N ATOM 1245 CA ILE A 100 -1.024 -0.175 3.084 1.00 0.00 C ATOM 1246 C ILE A 100 -0.449 -1.122 4.140 1.00 0.00 C ATOM 1247 O ILE A 100 0.080 -2.182 3.805 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.205 1.102 2.893 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.852 2.017 1.851 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.249 0.774 2.546 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.644 1.470 0.437 1.00 0.00 C ATOM 0 H ILE A 100 -2.551 1.114 3.717 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.983 -0.698 2.129 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.195 1.647 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.919 2.110 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.425 3.017 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.810 1.700 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.693 0.192 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.281 0.197 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.113 2.139 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.423 1.401 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.094 0.480 0.360 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.573 -0.707 5.392 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.072 -1.505 6.497 1.00 0.00 C ATOM 1265 C GLU A 101 -0.563 -2.949 6.376 1.00 0.00 C ATOM 1266 O GLU A 101 0.093 -3.874 6.853 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.482 -0.899 7.841 1.00 0.00 C ATOM 1268 CG GLU A 101 0.287 0.396 8.115 1.00 0.00 C ATOM 1269 CD GLU A 101 -0.376 1.200 9.236 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -1.346 0.669 9.817 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.105 2.326 9.486 1.00 0.00 O ATOM 0 H GLU A 101 -1.013 0.172 5.665 1.00 0.00 H new ATOM 0 HA GLU A 101 1.017 -1.507 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.553 -0.697 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.292 -1.615 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.315 0.161 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.329 0.997 7.207 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.713 -3.098 5.734 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.298 -4.414 5.542 1.00 0.00 C ATOM 1280 C LYS A 102 -1.721 -5.045 4.275 1.00 0.00 C ATOM 1281 O LYS A 102 -1.657 -6.268 4.161 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.826 -4.325 5.545 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.443 -5.508 6.293 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.479 -6.757 5.410 1.00 0.00 C ATOM 1285 CE LYS A 102 -4.145 -8.011 6.220 1.00 0.00 C ATOM 1286 NZ LYS A 102 -2.810 -8.528 5.848 1.00 0.00 N ATOM 0 H LYS A 102 -2.255 -2.329 5.340 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.038 -5.072 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.138 -3.391 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.195 -4.306 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.867 -5.713 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.454 -5.254 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.467 -6.862 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.768 -6.648 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.168 -7.780 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.900 -8.777 6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.292 -8.803 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.919 -9.357 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.279 -7.788 5.346 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.317 -4.183 3.354 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.746 -4.642 2.099 1.00 0.00 C ATOM 1302 C LEU A 103 0.767 -4.805 2.260 1.00 0.00 C ATOM 1303 O LEU A 103 1.418 -5.437 1.430 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.145 -3.706 0.956 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.250 -4.214 0.027 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.610 -4.184 0.726 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.262 -3.433 -1.288 1.00 0.00 C ATOM 0 H LEU A 103 -1.374 -3.169 3.451 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.146 -5.621 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.467 -2.757 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.259 -3.500 0.355 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.039 -5.255 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.378 -4.550 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.578 -4.819 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.845 -3.161 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.056 -3.814 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.436 -2.377 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.302 -3.551 -1.790 1.00 0.00 H new ATOM 1319 N THR A 104 1.281 -4.225 3.334 1.00 0.00 N ATOM 1320 CA THR A 104 2.704 -4.299 3.616 1.00 0.00 C ATOM 1321 C THR A 104 2.957 -5.126 4.877 1.00 0.00 C ATOM 1322 O THR A 104 3.966 -5.822 4.977 1.00 0.00 O ATOM 1323 CB THR A 104 3.244 -2.871 3.708 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.339 -2.214 4.590 1.00 0.00 O ATOM 1325 CG2 THR A 104 3.100 -2.105 2.390 1.00 0.00 C ATOM 0 H THR A 104 0.737 -3.701 4.020 1.00 0.00 H new ATOM 0 HA THR A 104 3.238 -4.813 2.816 1.00 0.00 H new ATOM 0 HB THR A 104 4.294 -2.898 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.514 -1.995 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.498 -1.097 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.652 -2.623 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.047 -2.049 2.115 1.00 0.00 H new ATOM 1333 N GLY A 105 2.022 -5.024 5.811 1.00 0.00 N ATOM 1334 CA GLY A 105 2.131 -5.752 7.063 1.00 0.00 C ATOM 1335 C GLY A 105 3.188 -5.125 7.973 1.00 0.00 C ATOM 1336 O GLY A 105 3.449 -5.627 9.065 1.00 0.00 O ATOM 0 H GLY A 105 1.185 -4.447 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.166 -5.756 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.390 -6.791 6.862 1.00 0.00 H new ATOM 1340 N TYR A 106 3.768 -4.036 7.490 1.00 0.00 N ATOM 1341 CA TYR A 106 4.791 -3.335 8.246 1.00 0.00 C ATOM 1342 C TYR A 106 4.251 -2.019 8.809 1.00 0.00 C ATOM 1343 O TYR A 106 3.686 -1.210 8.074 1.00 0.00 O ATOM 1344 CB TYR A 106 5.914 -3.029 7.254 1.00 0.00 C ATOM 1345 CG TYR A 106 7.068 -4.033 7.291 1.00 0.00 C ATOM 1346 CD1 TYR A 106 7.002 -5.189 6.540 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.176 -3.782 8.075 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.088 -6.134 6.575 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.262 -4.727 8.111 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.164 -5.856 7.359 1.00 0.00 C ATOM 1351 OH TYR A 106 10.191 -6.749 7.393 1.00 0.00 O ATOM 0 H TYR A 106 3.549 -3.622 6.584 1.00 0.00 H new ATOM 0 HA TYR A 106 5.130 -3.941 9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.499 -3.006 6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.306 -2.033 7.460 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.136 -5.385 5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.228 -2.877 8.662 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.049 -7.042 5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.134 -4.543 8.721 1.00 0.00 H new ATOM 0 HH TYR A 106 10.892 -6.419 7.994 1.00 0.00 H new ATOM 1361 N SER A 107 4.446 -1.843 10.108 1.00 0.00 N ATOM 1362 CA SER A 107 3.985 -0.638 10.777 1.00 0.00 C ATOM 1363 C SER A 107 5.101 0.407 10.797 1.00 0.00 C ATOM 1364 O SER A 107 6.243 0.110 10.448 1.00 0.00 O ATOM 1365 CB SER A 107 3.519 -0.944 12.202 1.00 0.00 C ATOM 1366 OG SER A 107 4.524 -0.651 13.168 1.00 0.00 O ATOM 0 H SER A 107 4.917 -2.514 10.715 1.00 0.00 H new ATOM 0 HA SER A 107 3.134 -0.242 10.222 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.624 -0.363 12.423 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.242 -1.996 12.275 1.00 0.00 H new ATOM 0 HG SER A 107 4.252 -1.004 14.041 1.00 0.00 H new ATOM 1372 N ALA A 108 4.734 1.612 11.212 1.00 0.00 N ATOM 1373 CA ALA A 108 5.689 2.703 11.283 1.00 0.00 C ATOM 1374 C ALA A 108 6.676 2.439 12.421 1.00 0.00 C ATOM 1375 O ALA A 108 7.782 2.976 12.427 1.00 0.00 O ATOM 1376 CB ALA A 108 4.942 4.027 11.454 1.00 0.00 C ATOM 0 H ALA A 108 3.787 1.855 11.502 1.00 0.00 H new ATOM 0 HA ALA A 108 6.263 2.770 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.660 4.846 11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.277 4.182 10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.356 3.998 12.373 1.00 0.00 H new ATOM 1382 N LYS A 109 6.239 1.613 13.360 1.00 0.00 N ATOM 1383 CA LYS A 109 7.069 1.270 14.502 1.00 0.00 C ATOM 1384 C LYS A 109 8.233 0.393 14.036 1.00 0.00 C ATOM 1385 O LYS A 109 9.390 0.678 14.341 1.00 0.00 O ATOM 1386 CB LYS A 109 6.224 0.636 15.608 1.00 0.00 C ATOM 1387 CG LYS A 109 6.283 1.468 16.891 1.00 0.00 C ATOM 1388 CD LYS A 109 5.279 0.954 17.924 1.00 0.00 C ATOM 1389 CE LYS A 109 5.541 1.576 19.297 1.00 0.00 C ATOM 1390 NZ LYS A 109 5.934 0.534 20.273 1.00 0.00 N ATOM 0 H LYS A 109 5.320 1.171 13.353 1.00 0.00 H new ATOM 0 HA LYS A 109 7.503 2.168 14.941 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.190 0.548 15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.581 -0.374 15.809 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.290 1.430 17.307 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.072 2.512 16.662 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.265 1.191 17.601 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.346 -0.132 17.993 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.329 2.325 19.219 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.646 2.090 19.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.108 0.974 21.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.170 -0.166 20.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.801 0.061 19.946 1.00 0.00 H new ATOM 1404 N GLU A 110 7.886 -0.657 13.306 1.00 0.00 N ATOM 1405 CA GLU A 110 8.888 -1.577 12.797 1.00 0.00 C ATOM 1406 C GLU A 110 9.620 -0.959 11.604 1.00 0.00 C ATOM 1407 O GLU A 110 10.834 -1.099 11.475 1.00 0.00 O ATOM 1408 CB GLU A 110 8.257 -2.918 12.416 1.00 0.00 C ATOM 1409 CG GLU A 110 7.203 -2.737 11.321 1.00 0.00 C ATOM 1410 CD GLU A 110 6.578 -4.079 10.933 1.00 0.00 C ATOM 1411 OE1 GLU A 110 7.258 -4.832 10.202 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.435 -4.323 11.377 1.00 0.00 O ATOM 0 H GLU A 110 6.925 -0.891 13.055 1.00 0.00 H new ATOM 0 HA GLU A 110 9.615 -1.765 13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.031 -3.603 12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.799 -3.371 13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.425 -2.057 11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.660 -2.278 10.444 1.00 0.00 H new ATOM 1419 N ARG A 111 8.849 -0.285 10.762 1.00 0.00 N ATOM 1420 CA ARG A 111 9.410 0.356 9.585 1.00 0.00 C ATOM 1421 C ARG A 111 10.616 1.215 9.971 1.00 0.00 C ATOM 1422 O ARG A 111 11.598 1.278 9.236 1.00 0.00 O ATOM 1423 CB ARG A 111 8.369 1.236 8.889 1.00 0.00 C ATOM 1424 CG ARG A 111 7.676 0.475 7.757 1.00 0.00 C ATOM 1425 CD ARG A 111 7.185 1.434 6.671 1.00 0.00 C ATOM 1426 NE ARG A 111 6.042 2.228 7.174 1.00 0.00 N ATOM 1427 CZ ARG A 111 5.530 3.291 6.541 1.00 0.00 C ATOM 1428 NH1 ARG A 111 6.055 3.697 5.378 1.00 0.00 N ATOM 1429 NH2 ARG A 111 4.490 3.951 7.072 1.00 0.00 N ATOM 0 H ARG A 111 7.842 -0.169 10.872 1.00 0.00 H new ATOM 0 HA ARG A 111 9.724 -0.430 8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.627 1.571 9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.851 2.129 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.367 -0.248 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.834 -0.090 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.994 2.098 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.886 0.872 5.786 1.00 0.00 H new ATOM 0 HE ARG A 111 5.618 1.948 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.846 3.196 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.664 4.507 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.089 3.643 7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.100 4.761 6.590 1.00 0.00 H new ATOM 1443 N LYS A 112 10.501 1.855 11.125 1.00 0.00 N ATOM 1444 CA LYS A 112 11.570 2.706 11.619 1.00 0.00 C ATOM 1445 C LYS A 112 12.859 1.889 11.724 1.00 0.00 C ATOM 1446 O LYS A 112 13.951 2.452 11.807 1.00 0.00 O ATOM 1447 CB LYS A 112 11.159 3.377 12.931 1.00 0.00 C ATOM 1448 CG LYS A 112 11.684 4.812 13.001 1.00 0.00 C ATOM 1449 CD LYS A 112 10.544 5.801 13.251 1.00 0.00 C ATOM 1450 CE LYS A 112 10.444 6.160 14.735 1.00 0.00 C ATOM 1451 NZ LYS A 112 9.934 7.540 14.902 1.00 0.00 N ATOM 0 H LYS A 112 9.683 1.801 11.733 1.00 0.00 H new ATOM 0 HA LYS A 112 11.763 3.519 10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.072 3.379 13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.545 2.803 13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.423 4.894 13.798 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.191 5.064 12.069 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.707 6.705 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.602 5.368 12.914 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.782 5.458 15.241 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.424 6.069 15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.872 7.767 15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.581 8.208 14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.990 7.616 14.472 1.00 0.00 H new ATOM 1465 N LYS A 113 12.692 0.576 11.716 1.00 0.00 N ATOM 1466 CA LYS A 113 13.829 -0.325 11.808 1.00 0.00 C ATOM 1467 C LYS A 113 14.823 -0.001 10.691 1.00 0.00 C ATOM 1468 O LYS A 113 16.035 -0.039 10.903 1.00 0.00 O ATOM 1469 CB LYS A 113 13.362 -1.781 11.812 1.00 0.00 C ATOM 1470 CG LYS A 113 12.582 -2.104 13.087 1.00 0.00 C ATOM 1471 CD LYS A 113 13.524 -2.538 14.212 1.00 0.00 C ATOM 1472 CE LYS A 113 13.124 -1.896 15.542 1.00 0.00 C ATOM 1473 NZ LYS A 113 13.114 -2.907 16.622 1.00 0.00 N ATOM 0 H LYS A 113 11.786 0.113 11.647 1.00 0.00 H new ATOM 0 HA LYS A 113 14.352 -0.181 12.753 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.734 -1.967 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.224 -2.443 11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.014 -1.229 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.861 -2.896 12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.505 -3.624 14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.547 -2.258 13.962 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.821 -1.096 15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.137 -1.442 15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.841 -2.455 17.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.431 -3.656 16.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 14.063 -3.321 16.719 1.00 0.00 H new ATOM 1487 N MET A 114 14.274 0.312 9.526 1.00 0.00 N ATOM 1488 CA MET A 114 15.097 0.643 8.375 1.00 0.00 C ATOM 1489 C MET A 114 15.541 2.106 8.420 1.00 0.00 C ATOM 1490 O MET A 114 16.272 2.565 7.545 1.00 0.00 O ATOM 1491 CB MET A 114 14.307 0.388 7.092 1.00 0.00 C ATOM 1492 CG MET A 114 13.115 1.342 6.983 1.00 0.00 C ATOM 1493 SD MET A 114 13.061 2.067 5.352 1.00 0.00 S ATOM 1494 CE MET A 114 14.463 3.168 5.456 1.00 0.00 C ATOM 0 H MET A 114 13.269 0.343 9.355 1.00 0.00 H new ATOM 0 HA MET A 114 15.986 0.013 8.395 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.959 0.515 6.228 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.955 -0.643 7.077 1.00 0.00 H new ATOM 0 HG2 MET A 114 12.188 0.804 7.182 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.196 2.126 7.736 1.00 0.00 H new ATOM 0 HE1 MET A 114 14.376 3.941 4.692 1.00 0.00 H new ATOM 0 HE2 MET A 114 14.488 3.633 6.442 1.00 0.00 H new ATOM 0 HE3 MET A 114 15.382 2.603 5.298 1.00 0.00 H new ATOM 1504 N MET A 115 15.079 2.800 9.450 1.00 0.00 N ATOM 1505 CA MET A 115 15.417 4.203 9.622 1.00 0.00 C ATOM 1506 C MET A 115 16.460 4.384 10.726 1.00 0.00 C ATOM 1507 O MET A 115 17.164 5.393 10.762 1.00 0.00 O ATOM 1508 CB MET A 115 14.156 4.994 9.974 1.00 0.00 C ATOM 1509 CG MET A 115 13.431 5.460 8.711 1.00 0.00 C ATOM 1510 SD MET A 115 13.615 7.224 8.517 1.00 0.00 S ATOM 1511 CE MET A 115 14.492 7.276 6.964 1.00 0.00 C ATOM 0 H MET A 115 14.473 2.416 10.175 1.00 0.00 H new ATOM 0 HA MET A 115 15.838 4.573 8.687 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.489 4.374 10.573 1.00 0.00 H new ATOM 0 HB3 MET A 115 14.422 5.857 10.584 1.00 0.00 H new ATOM 0 HG2 MET A 115 13.835 4.946 7.839 1.00 0.00 H new ATOM 0 HG3 MET A 115 12.374 5.201 8.772 1.00 0.00 H new ATOM 0 HE1 MET A 115 14.689 8.313 6.692 1.00 0.00 H new ATOM 0 HE2 MET A 115 15.436 6.741 7.061 1.00 0.00 H new ATOM 0 HE3 MET A 115 13.887 6.806 6.189 1.00 0.00 H new ATOM 1521 N THR A 116 16.526 3.393 11.602 1.00 0.00 N ATOM 1522 CA THR A 116 17.470 3.429 12.706 1.00 0.00 C ATOM 1523 C THR A 116 17.840 2.010 13.140 1.00 0.00 C ATOM 1524 O THR A 116 17.087 1.363 13.865 1.00 0.00 O ATOM 1525 CB THR A 116 16.853 4.267 13.828 1.00 0.00 C ATOM 1526 OG1 THR A 116 17.525 3.820 15.003 1.00 0.00 O ATOM 1527 CG2 THR A 116 15.386 3.918 14.081 1.00 0.00 C ATOM 0 H THR A 116 15.940 2.559 11.570 1.00 0.00 H new ATOM 0 HA THR A 116 18.408 3.898 12.408 1.00 0.00 H new ATOM 0 HB THR A 116 16.935 5.325 13.579 1.00 0.00 H new ATOM 0 HG1 THR A 116 17.155 2.957 15.283 1.00 0.00 H new ATOM 0 HG21 THR A 116 14.997 4.541 14.886 1.00 0.00 H new ATOM 0 HG22 THR A 116 14.808 4.095 13.174 1.00 0.00 H new ATOM 0 HG23 THR A 116 15.305 2.868 14.363 1.00 0.00 H new ATOM 1535 N LYS A 117 18.999 1.566 12.677 1.00 0.00 N ATOM 1536 CA LYS A 117 19.479 0.235 13.008 1.00 0.00 C ATOM 1537 C LYS A 117 20.330 0.305 14.278 1.00 0.00 C ATOM 1538 O LYS A 117 21.366 -0.348 14.370 1.00 0.00 O ATOM 1539 CB LYS A 117 20.205 -0.386 11.814 1.00 0.00 C ATOM 1540 CG LYS A 117 19.684 -1.796 11.528 1.00 0.00 C ATOM 1541 CD LYS A 117 20.701 -2.601 10.716 1.00 0.00 C ATOM 1542 CE LYS A 117 20.586 -4.096 11.018 1.00 0.00 C ATOM 1543 NZ LYS A 117 19.400 -4.671 10.347 1.00 0.00 N ATOM 0 H LYS A 117 19.621 2.105 12.074 1.00 0.00 H new ATOM 0 HA LYS A 117 18.642 -0.429 13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.068 0.242 10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.276 -0.424 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.476 -2.308 12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 117 18.743 -1.736 10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.540 -2.428 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.709 -2.257 10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 117 21.486 -4.611 10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 117 20.513 -4.251 12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 19.337 -5.686 10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 18.542 -4.191 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 19.485 -4.540 9.319 1.00 0.00 H new ATOM 1557 N ASP A 118 19.858 1.105 15.224 1.00 0.00 N ATOM 1558 CA ASP A 118 20.563 1.268 16.484 1.00 0.00 C ATOM 1559 C ASP A 118 19.697 2.082 17.446 1.00 0.00 C ATOM 1560 O ASP A 118 20.098 2.345 18.579 1.00 0.00 O ATOM 1561 CB ASP A 118 21.882 2.020 16.283 1.00 0.00 C ATOM 1562 CG ASP A 118 21.799 3.234 15.357 1.00 0.00 C ATOM 1563 OD1 ASP A 118 21.451 3.024 14.175 1.00 0.00 O ATOM 1564 OD2 ASP A 118 22.086 4.346 15.852 1.00 0.00 O ATOM 1565 OXT ASP A 118 18.437 2.527 17.029 1.00 0.00 O ATOM 0 H ASP A 118 18.997 1.646 15.143 1.00 0.00 H new ATOM 0 HA ASP A 118 20.770 0.276 16.886 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.248 2.348 17.256 1.00 0.00 H new ATOM 0 HB3 ASP A 118 22.621 1.326 15.882 1.00 0.00 H new TER 1570 ASP A 118