USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLN : amide:sc= 0.677 K(o=0.68,f=-5.1!) USER MOD Single : A 1 GLN N :NH3+ 137:sc= -0.657 (180deg=-0.931) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -27:sc= 1.06 USER MOD Single : A 9 SER OG : rot -177:sc= -0.854 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.938 X(o=-0.94,f=-0.73) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.515 K(o=0.51,f=-2.9!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0591 USER MOD Single : A 39 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.7!) USER MOD Single : A 44 MET CE :methyl 140:sc= -5.62! (180deg=-9.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0388 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.16! C(o=-2.2!,f=-2.9!) USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= -2.13 (180deg=-4.48!) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= -0.0666 (180deg=-0.112) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.262 0.085 0.202 1.00 23.41 N ATOM 2 CA GLN A 1 2.172 -0.007 -0.934 1.00 4.15 C ATOM 3 C GLN A 1 1.904 -1.270 -1.746 1.00 3.25 C ATOM 4 O GLN A 1 1.876 -1.234 -2.976 1.00 31.31 O ATOM 5 CB GLN A 1 3.624 0.006 -0.453 1.00 24.13 C ATOM 6 CG GLN A 1 3.935 -1.072 0.573 1.00 63.43 C ATOM 7 CD GLN A 1 5.182 -0.768 1.380 1.00 61.33 C ATOM 8 OE1 GLN A 1 5.860 0.233 1.144 1.00 75.53 O ATOM 9 NE2 GLN A 1 5.492 -1.632 2.339 1.00 30.41 N ATOM 0 H1 GLN A 1 1.789 0.390 1.045 1.00 23.41 H new ATOM 0 H2 GLN A 1 0.514 0.777 -0.007 1.00 23.41 H new ATOM 0 H3 GLN A 1 0.833 -0.846 0.379 1.00 23.41 H new ATOM 0 HA GLN A 1 2.001 0.858 -1.575 1.00 4.15 H new ATOM 0 HB2 GLN A 1 4.284 -0.120 -1.312 1.00 24.13 H new ATOM 0 HB3 GLN A 1 3.846 0.982 -0.021 1.00 24.13 H new ATOM 0 HG2 GLN A 1 3.087 -1.180 1.249 1.00 63.43 H new ATOM 0 HG3 GLN A 1 4.061 -2.027 0.064 1.00 63.43 H new ATOM 0 HE21 GLN A 1 4.902 -2.448 2.500 1.00 30.41 H new ATOM 0 HE22 GLN A 1 6.320 -1.480 2.915 1.00 30.41 H new ATOM 18 N TYR A 2 1.709 -2.384 -1.049 1.00 73.15 N ATOM 19 CA TYR A 2 1.446 -3.659 -1.706 1.00 73.10 C ATOM 20 C TYR A 2 0.410 -4.467 -0.931 1.00 75.51 C ATOM 21 O TYR A 2 -0.075 -4.038 0.116 1.00 52.51 O ATOM 22 CB TYR A 2 2.740 -4.464 -1.841 1.00 54.40 C ATOM 23 CG TYR A 2 3.636 -3.985 -2.960 1.00 44.32 C ATOM 24 CD1 TYR A 2 3.492 -4.476 -4.252 1.00 14.13 C ATOM 25 CD2 TYR A 2 4.628 -3.040 -2.726 1.00 41.10 C ATOM 26 CE1 TYR A 2 4.309 -4.042 -5.277 1.00 3.41 C ATOM 27 CE2 TYR A 2 5.449 -2.599 -3.746 1.00 4.25 C ATOM 28 CZ TYR A 2 5.286 -3.103 -5.019 1.00 5.10 C ATOM 29 OH TYR A 2 6.102 -2.667 -6.038 1.00 1.31 O ATOM 0 H TYR A 2 1.728 -2.430 -0.030 1.00 73.15 H new ATOM 0 HA TYR A 2 1.050 -3.452 -2.700 1.00 73.10 H new ATOM 0 HB2 TYR A 2 3.289 -4.414 -0.901 1.00 54.40 H new ATOM 0 HB3 TYR A 2 2.491 -5.512 -2.010 1.00 54.40 H new ATOM 0 HD1 TYR A 2 2.727 -5.210 -4.458 1.00 14.13 H new ATOM 0 HD2 TYR A 2 4.759 -2.644 -1.730 1.00 41.10 H new ATOM 0 HE1 TYR A 2 4.184 -4.435 -6.275 1.00 3.41 H new ATOM 0 HE2 TYR A 2 6.214 -1.863 -3.547 1.00 4.25 H new ATOM 0 HH TYR A 2 6.735 -2.005 -5.690 1.00 1.31 H new ATOM 39 N LYS A 3 0.075 -5.643 -1.453 1.00 55.50 N ATOM 40 CA LYS A 3 -0.902 -6.515 -0.812 1.00 12.43 C ATOM 41 C LYS A 3 -0.214 -7.517 0.109 1.00 34.42 C ATOM 42 O LYS A 3 0.546 -8.372 -0.346 1.00 73.43 O ATOM 43 CB LYS A 3 -1.725 -7.257 -1.867 1.00 41.44 C ATOM 44 CG LYS A 3 -3.066 -7.754 -1.355 1.00 44.21 C ATOM 45 CD LYS A 3 -3.854 -8.457 -2.447 1.00 40.02 C ATOM 46 CE LYS A 3 -5.269 -8.780 -1.993 1.00 72.10 C ATOM 47 NZ LYS A 3 -5.894 -9.837 -2.835 1.00 73.14 N ATOM 0 H LYS A 3 0.466 -6.014 -2.319 1.00 55.50 H new ATOM 0 HA LYS A 3 -1.568 -5.894 -0.213 1.00 12.43 H new ATOM 0 HB2 LYS A 3 -1.893 -6.595 -2.716 1.00 41.44 H new ATOM 0 HB3 LYS A 3 -1.149 -8.106 -2.234 1.00 41.44 H new ATOM 0 HG2 LYS A 3 -2.907 -8.438 -0.522 1.00 44.21 H new ATOM 0 HG3 LYS A 3 -3.644 -6.913 -0.971 1.00 44.21 H new ATOM 0 HD2 LYS A 3 -3.891 -7.825 -3.335 1.00 40.02 H new ATOM 0 HD3 LYS A 3 -3.343 -9.377 -2.731 1.00 40.02 H new ATOM 0 HE2 LYS A 3 -5.251 -9.107 -0.953 1.00 72.10 H new ATOM 0 HE3 LYS A 3 -5.878 -7.877 -2.032 1.00 72.10 H new ATOM 0 HZ1 LYS A 3 -6.857 -10.028 -2.493 1.00 73.14 H new ATOM 0 HZ2 LYS A 3 -5.935 -9.515 -3.823 1.00 73.14 H new ATOM 0 HZ3 LYS A 3 -5.327 -10.707 -2.778 1.00 73.14 H new ATOM 61 N ILE A 4 -0.487 -7.407 1.405 1.00 31.50 N ATOM 62 CA ILE A 4 0.104 -8.307 2.388 1.00 12.54 C ATOM 63 C ILE A 4 -0.356 -9.743 2.166 1.00 35.23 C ATOM 64 O ILE A 4 -1.458 -10.122 2.566 1.00 62.13 O ATOM 65 CB ILE A 4 -0.252 -7.882 3.825 1.00 12.43 C ATOM 66 CG1 ILE A 4 0.135 -6.420 4.059 1.00 41.11 C ATOM 67 CG2 ILE A 4 0.441 -8.787 4.833 1.00 44.55 C ATOM 68 CD1 ILE A 4 1.621 -6.162 3.940 1.00 31.24 C ATOM 0 H ILE A 4 -1.113 -6.704 1.798 1.00 31.50 H new ATOM 0 HA ILE A 4 1.185 -8.251 2.258 1.00 12.54 H new ATOM 0 HB ILE A 4 -1.329 -7.979 3.960 1.00 12.43 H new ATOM 0 HG12 ILE A 4 -0.393 -5.793 3.340 1.00 41.11 H new ATOM 0 HG13 ILE A 4 -0.200 -6.118 5.052 1.00 41.11 H new ATOM 0 HG21 ILE A 4 0.179 -8.474 5.844 1.00 44.55 H new ATOM 0 HG22 ILE A 4 0.120 -9.817 4.678 1.00 44.55 H new ATOM 0 HG23 ILE A 4 1.521 -8.720 4.700 1.00 44.55 H new ATOM 0 HD11 ILE A 4 1.822 -5.106 4.118 1.00 31.24 H new ATOM 0 HD12 ILE A 4 2.155 -6.762 4.677 1.00 31.24 H new ATOM 0 HD13 ILE A 4 1.958 -6.432 2.939 1.00 31.24 H new ATOM 80 N TYR A 5 0.494 -10.539 1.529 1.00 64.25 N ATOM 81 CA TYR A 5 0.175 -11.935 1.253 1.00 42.14 C ATOM 82 C TYR A 5 0.682 -12.841 2.370 1.00 2.04 C ATOM 83 O TYR A 5 1.557 -12.473 3.154 1.00 3.23 O ATOM 84 CB TYR A 5 0.784 -12.365 -0.083 1.00 41.32 C ATOM 85 CG TYR A 5 -0.113 -12.099 -1.271 1.00 30.11 C ATOM 86 CD1 TYR A 5 -1.426 -12.552 -1.290 1.00 14.22 C ATOM 87 CD2 TYR A 5 0.353 -11.394 -2.374 1.00 72.21 C ATOM 88 CE1 TYR A 5 -2.249 -12.312 -2.373 1.00 71.03 C ATOM 89 CE2 TYR A 5 -0.463 -11.148 -3.461 1.00 73.54 C ATOM 90 CZ TYR A 5 -1.763 -11.610 -3.456 1.00 52.24 C ATOM 91 OH TYR A 5 -2.580 -11.368 -4.537 1.00 50.40 O ATOM 0 H TYR A 5 1.410 -10.242 1.193 1.00 64.25 H new ATOM 0 HA TYR A 5 -0.910 -12.029 1.198 1.00 42.14 H new ATOM 0 HB2 TYR A 5 1.729 -11.841 -0.227 1.00 41.32 H new ATOM 0 HB3 TYR A 5 1.013 -13.430 -0.042 1.00 41.32 H new ATOM 0 HD1 TYR A 5 -1.810 -13.101 -0.443 1.00 14.22 H new ATOM 0 HD2 TYR A 5 1.371 -11.032 -2.382 1.00 72.21 H new ATOM 0 HE1 TYR A 5 -3.267 -12.672 -2.372 1.00 71.03 H new ATOM 0 HE2 TYR A 5 -0.086 -10.597 -4.310 1.00 73.54 H new ATOM 0 HH TYR A 5 -3.511 -11.305 -4.236 1.00 50.40 H new ATOM 101 N PRO A 6 0.120 -14.056 2.446 1.00 20.41 N ATOM 102 CA PRO A 6 0.499 -15.042 3.463 1.00 63.13 C ATOM 103 C PRO A 6 1.902 -15.597 3.237 1.00 34.04 C ATOM 104 O PRO A 6 2.316 -15.819 2.100 1.00 45.15 O ATOM 105 CB PRO A 6 -0.547 -16.147 3.293 1.00 5.13 C ATOM 106 CG PRO A 6 -0.999 -16.027 1.879 1.00 43.31 C ATOM 107 CD PRO A 6 -0.929 -14.562 1.545 1.00 62.32 C ATOM 0 HA PRO A 6 0.522 -14.608 4.463 1.00 63.13 H new ATOM 0 HB2 PRO A 6 -0.120 -17.130 3.490 1.00 5.13 H new ATOM 0 HB3 PRO A 6 -1.378 -16.016 3.987 1.00 5.13 H new ATOM 0 HG2 PRO A 6 -0.361 -16.610 1.215 1.00 43.31 H new ATOM 0 HG3 PRO A 6 -2.014 -16.406 1.760 1.00 43.31 H new ATOM 0 HD2 PRO A 6 -0.672 -14.400 0.498 1.00 62.32 H new ATOM 0 HD3 PRO A 6 -1.883 -14.064 1.719 1.00 62.32 H new ATOM 115 N TYR A 7 2.627 -15.820 4.328 1.00 51.53 N ATOM 116 CA TYR A 7 3.984 -16.347 4.248 1.00 10.05 C ATOM 117 C TYR A 7 3.971 -17.841 3.940 1.00 34.12 C ATOM 118 O TYR A 7 4.885 -18.363 3.303 1.00 64.11 O ATOM 119 CB TYR A 7 4.730 -16.092 5.559 1.00 0.02 C ATOM 120 CG TYR A 7 6.074 -16.780 5.635 1.00 61.52 C ATOM 121 CD1 TYR A 7 7.173 -16.279 4.948 1.00 21.54 C ATOM 122 CD2 TYR A 7 6.245 -17.932 6.394 1.00 51.13 C ATOM 123 CE1 TYR A 7 8.403 -16.906 5.014 1.00 14.20 C ATOM 124 CE2 TYR A 7 7.471 -18.564 6.466 1.00 21.14 C ATOM 125 CZ TYR A 7 8.547 -18.048 5.774 1.00 13.44 C ATOM 126 OH TYR A 7 9.770 -18.674 5.844 1.00 41.45 O ATOM 0 H TYR A 7 2.298 -15.644 5.277 1.00 51.53 H new ATOM 0 HA TYR A 7 4.500 -15.832 3.438 1.00 10.05 H new ATOM 0 HB2 TYR A 7 4.873 -15.019 5.683 1.00 0.02 H new ATOM 0 HB3 TYR A 7 4.111 -16.429 6.391 1.00 0.02 H new ATOM 0 HD1 TYR A 7 7.064 -15.385 4.352 1.00 21.54 H new ATOM 0 HD2 TYR A 7 5.405 -18.340 6.937 1.00 51.13 H new ATOM 0 HE1 TYR A 7 9.247 -16.504 4.473 1.00 14.20 H new ATOM 0 HE2 TYR A 7 7.587 -19.458 7.061 1.00 21.14 H new ATOM 0 HH TYR A 7 10.278 -18.491 5.026 1.00 41.45 H new ATOM 136 N ASP A 8 2.926 -18.523 4.397 1.00 61.11 N ATOM 137 CA ASP A 8 2.791 -19.957 4.169 1.00 34.24 C ATOM 138 C ASP A 8 2.543 -20.252 2.693 1.00 23.33 C ATOM 139 O ASP A 8 2.960 -21.290 2.179 1.00 23.22 O ATOM 140 CB ASP A 8 1.648 -20.523 5.014 1.00 61.51 C ATOM 141 CG ASP A 8 0.395 -19.673 4.938 1.00 62.35 C ATOM 142 OD1 ASP A 8 -0.402 -19.875 3.998 1.00 55.53 O ATOM 143 OD2 ASP A 8 0.212 -18.807 5.818 1.00 31.20 O ATOM 0 H ASP A 8 2.161 -18.106 4.927 1.00 61.11 H new ATOM 0 HA ASP A 8 3.724 -20.437 4.465 1.00 34.24 H new ATOM 0 HB2 ASP A 8 1.418 -21.534 4.678 1.00 61.51 H new ATOM 0 HB3 ASP A 8 1.970 -20.597 6.053 1.00 61.51 H new ATOM 148 N SER A 9 1.862 -19.333 2.017 1.00 35.14 N ATOM 149 CA SER A 9 1.554 -19.497 0.601 1.00 2.14 C ATOM 150 C SER A 9 2.591 -18.789 -0.265 1.00 41.31 C ATOM 151 O SER A 9 2.636 -18.980 -1.481 1.00 44.11 O ATOM 152 CB SER A 9 0.158 -18.951 0.294 1.00 22.54 C ATOM 153 OG SER A 9 -0.632 -18.883 1.469 1.00 74.55 O ATOM 0 H SER A 9 1.513 -18.467 2.427 1.00 35.14 H new ATOM 0 HA SER A 9 1.578 -20.562 0.370 1.00 2.14 H new ATOM 0 HB2 SER A 9 0.241 -17.959 -0.150 1.00 22.54 H new ATOM 0 HB3 SER A 9 -0.332 -19.589 -0.441 1.00 22.54 H new ATOM 0 HG SER A 9 -1.534 -18.575 1.240 1.00 74.55 H new ATOM 159 N LEU A 10 3.423 -17.970 0.369 1.00 31.03 N ATOM 160 CA LEU A 10 4.461 -17.232 -0.342 1.00 51.11 C ATOM 161 C LEU A 10 5.761 -18.028 -0.388 1.00 71.33 C ATOM 162 O LEU A 10 6.514 -17.950 -1.360 1.00 31.15 O ATOM 163 CB LEU A 10 4.702 -15.878 0.328 1.00 21.33 C ATOM 164 CG LEU A 10 3.861 -14.712 -0.192 1.00 64.04 C ATOM 165 CD1 LEU A 10 4.159 -13.446 0.596 1.00 50.23 C ATOM 166 CD2 LEU A 10 4.117 -14.491 -1.676 1.00 75.32 C ATOM 0 H LEU A 10 3.399 -17.800 1.374 1.00 31.03 H new ATOM 0 HA LEU A 10 4.120 -17.069 -1.364 1.00 51.11 H new ATOM 0 HB2 LEU A 10 4.516 -15.986 1.397 1.00 21.33 H new ATOM 0 HB3 LEU A 10 5.755 -15.620 0.212 1.00 21.33 H new ATOM 0 HG LEU A 10 2.808 -14.960 -0.058 1.00 64.04 H new ATOM 0 HD11 LEU A 10 3.551 -12.627 0.212 1.00 50.23 H new ATOM 0 HD12 LEU A 10 3.925 -13.609 1.648 1.00 50.23 H new ATOM 0 HD13 LEU A 10 5.214 -13.194 0.494 1.00 50.23 H new ATOM 0 HD21 LEU A 10 3.510 -13.657 -2.030 1.00 75.32 H new ATOM 0 HD22 LEU A 10 5.172 -14.265 -1.834 1.00 75.32 H new ATOM 0 HD23 LEU A 10 3.853 -15.392 -2.229 1.00 75.32 H new ATOM 178 N ILE A 11 6.017 -18.795 0.666 1.00 33.12 N ATOM 179 CA ILE A 11 7.224 -19.608 0.744 1.00 71.30 C ATOM 180 C ILE A 11 7.385 -20.474 -0.501 1.00 33.11 C ATOM 181 O ILE A 11 6.526 -21.300 -0.811 1.00 23.42 O ATOM 182 CB ILE A 11 7.212 -20.515 1.989 1.00 64.45 C ATOM 183 CG1 ILE A 11 5.847 -21.187 2.144 1.00 34.32 C ATOM 184 CG2 ILE A 11 7.558 -19.712 3.233 1.00 3.31 C ATOM 185 CD1 ILE A 11 5.840 -22.317 3.150 1.00 62.55 C ATOM 0 H ILE A 11 5.404 -18.870 1.478 1.00 33.12 H new ATOM 0 HA ILE A 11 8.065 -18.918 0.815 1.00 71.30 H new ATOM 0 HB ILE A 11 7.966 -21.292 1.861 1.00 64.45 H new ATOM 0 HG12 ILE A 11 5.115 -20.438 2.446 1.00 34.32 H new ATOM 0 HG13 ILE A 11 5.529 -21.572 1.175 1.00 34.32 H new ATOM 0 HG21 ILE A 11 7.545 -20.367 4.104 1.00 3.31 H new ATOM 0 HG22 ILE A 11 8.551 -19.277 3.121 1.00 3.31 H new ATOM 0 HG23 ILE A 11 6.826 -18.916 3.367 1.00 3.31 H new ATOM 0 HD11 ILE A 11 4.840 -22.747 3.208 1.00 62.55 H new ATOM 0 HD12 ILE A 11 6.548 -23.085 2.839 1.00 62.55 H new ATOM 0 HD13 ILE A 11 6.127 -21.934 4.129 1.00 62.55 H new ATOM 197 N VAL A 12 8.492 -20.280 -1.211 1.00 75.21 N ATOM 198 CA VAL A 12 8.767 -21.045 -2.421 1.00 62.32 C ATOM 199 C VAL A 12 8.852 -22.537 -2.121 1.00 20.54 C ATOM 200 O VAL A 12 8.568 -23.373 -2.980 1.00 14.14 O ATOM 201 CB VAL A 12 10.081 -20.591 -3.085 1.00 73.13 C ATOM 202 CG1 VAL A 12 10.098 -19.080 -3.256 1.00 41.31 C ATOM 203 CG2 VAL A 12 11.278 -21.058 -2.271 1.00 50.22 C ATOM 0 H VAL A 12 9.213 -19.600 -0.969 1.00 75.21 H new ATOM 0 HA VAL A 12 7.939 -20.862 -3.106 1.00 62.32 H new ATOM 0 HB VAL A 12 10.144 -21.045 -4.074 1.00 73.13 H new ATOM 0 HG11 VAL A 12 11.034 -18.778 -3.726 1.00 41.31 H new ATOM 0 HG12 VAL A 12 9.261 -18.775 -3.884 1.00 41.31 H new ATOM 0 HG13 VAL A 12 10.012 -18.602 -2.280 1.00 41.31 H new ATOM 0 HG21 VAL A 12 12.198 -20.729 -2.755 1.00 50.22 H new ATOM 0 HG22 VAL A 12 11.224 -20.635 -1.268 1.00 50.22 H new ATOM 0 HG23 VAL A 12 11.272 -22.146 -2.206 1.00 50.22 H new ATOM 213 N THR A 13 9.245 -22.867 -0.894 1.00 61.21 N ATOM 214 CA THR A 13 9.368 -24.259 -0.479 1.00 42.12 C ATOM 215 C THR A 13 8.038 -24.992 -0.612 1.00 64.04 C ATOM 216 O THR A 13 8.001 -26.219 -0.694 1.00 11.12 O ATOM 217 CB THR A 13 9.859 -24.370 0.977 1.00 41.24 C ATOM 218 OG1 THR A 13 10.050 -25.745 1.326 1.00 62.33 O ATOM 219 CG2 THR A 13 8.863 -23.732 1.933 1.00 3.05 C ATOM 0 H THR A 13 9.483 -22.189 -0.170 1.00 61.21 H new ATOM 0 HA THR A 13 10.102 -24.722 -1.139 1.00 42.12 H new ATOM 0 HB THR A 13 10.808 -23.840 1.059 1.00 41.24 H new ATOM 0 HG1 THR A 13 10.364 -25.807 2.252 1.00 62.33 H new ATOM 0 HG21 THR A 13 9.231 -23.822 2.955 1.00 3.05 H new ATOM 0 HG22 THR A 13 8.742 -22.678 1.683 1.00 3.05 H new ATOM 0 HG23 THR A 13 7.901 -24.238 1.847 1.00 3.05 H new ATOM 227 N ASN A 14 6.948 -24.232 -0.634 1.00 44.25 N ATOM 228 CA ASN A 14 5.615 -24.810 -0.758 1.00 64.31 C ATOM 229 C ASN A 14 5.109 -24.708 -2.194 1.00 12.45 C ATOM 230 O ASN A 14 3.931 -24.942 -2.465 1.00 62.32 O ATOM 231 CB ASN A 14 4.642 -24.107 0.190 1.00 73.22 C ATOM 232 CG ASN A 14 3.790 -25.086 0.975 1.00 62.44 C ATOM 233 OD1 ASN A 14 4.295 -26.071 1.515 1.00 51.21 O ATOM 234 ND2 ASN A 14 2.491 -24.820 1.041 1.00 50.25 N ATOM 0 H ASN A 14 6.962 -23.214 -0.568 1.00 44.25 H new ATOM 0 HA ASN A 14 5.676 -25.864 -0.488 1.00 64.31 H new ATOM 0 HB2 ASN A 14 5.203 -23.481 0.884 1.00 73.22 H new ATOM 0 HB3 ASN A 14 3.994 -23.445 -0.384 1.00 73.22 H new ATOM 0 HD21 ASN A 14 1.868 -25.444 1.555 1.00 50.25 H new ATOM 0 HD22 ASN A 14 2.116 -23.992 0.578 1.00 50.25 H new ATOM 241 N ARG A 15 6.007 -24.356 -3.108 1.00 75.03 N ATOM 242 CA ARG A 15 5.651 -24.222 -4.516 1.00 12.33 C ATOM 243 C ARG A 15 4.929 -25.470 -5.016 1.00 3.23 C ATOM 244 O ARG A 15 4.104 -25.399 -5.927 1.00 44.42 O ATOM 245 CB ARG A 15 6.903 -23.971 -5.359 1.00 33.35 C ATOM 246 CG ARG A 15 7.285 -22.504 -5.459 1.00 45.24 C ATOM 247 CD ARG A 15 8.749 -22.334 -5.838 1.00 34.44 C ATOM 248 NE ARG A 15 9.112 -23.148 -6.995 1.00 5.23 N ATOM 249 CZ ARG A 15 10.365 -23.343 -7.391 1.00 42.23 C ATOM 250 NH1 ARG A 15 11.369 -22.786 -6.727 1.00 34.21 N ATOM 251 NH2 ARG A 15 10.616 -24.096 -8.454 1.00 62.32 N ATOM 0 H ARG A 15 6.986 -24.159 -2.899 1.00 75.03 H new ATOM 0 HA ARG A 15 4.978 -23.370 -4.615 1.00 12.33 H new ATOM 0 HB2 ARG A 15 7.737 -24.527 -4.930 1.00 33.35 H new ATOM 0 HB3 ARG A 15 6.740 -24.365 -6.362 1.00 33.35 H new ATOM 0 HG2 ARG A 15 6.656 -22.013 -6.202 1.00 45.24 H new ATOM 0 HG3 ARG A 15 7.095 -22.012 -4.505 1.00 45.24 H new ATOM 0 HD2 ARG A 15 8.948 -21.285 -6.056 1.00 34.44 H new ATOM 0 HD3 ARG A 15 9.377 -22.608 -4.990 1.00 34.44 H new ATOM 0 HE ARG A 15 8.363 -23.591 -7.528 1.00 5.23 H new ATOM 0 HH11 ARG A 15 11.180 -22.206 -5.910 1.00 34.21 H new ATOM 0 HH12 ARG A 15 12.330 -22.938 -7.034 1.00 34.21 H new ATOM 0 HH21 ARG A 15 9.847 -24.526 -8.968 1.00 62.32 H new ATOM 0 HH22 ARG A 15 11.578 -24.245 -8.758 1.00 62.32 H new ATOM 265 N ILE A 16 5.246 -26.611 -4.414 1.00 22.14 N ATOM 266 CA ILE A 16 4.628 -27.874 -4.797 1.00 70.15 C ATOM 267 C ILE A 16 3.173 -27.934 -4.345 1.00 1.14 C ATOM 268 O ILE A 16 2.319 -28.486 -5.038 1.00 32.20 O ATOM 269 CB ILE A 16 5.388 -29.076 -4.206 1.00 11.24 C ATOM 270 CG1 ILE A 16 4.733 -30.387 -4.644 1.00 61.30 C ATOM 271 CG2 ILE A 16 5.430 -28.980 -2.688 1.00 24.12 C ATOM 272 CD1 ILE A 16 4.689 -30.568 -6.145 1.00 70.31 C ATOM 0 H ILE A 16 5.927 -26.687 -3.659 1.00 22.14 H new ATOM 0 HA ILE A 16 4.670 -27.928 -5.885 1.00 70.15 H new ATOM 0 HB ILE A 16 6.411 -29.061 -4.581 1.00 11.24 H new ATOM 0 HG12 ILE A 16 5.277 -31.221 -4.201 1.00 61.30 H new ATOM 0 HG13 ILE A 16 3.717 -30.425 -4.252 1.00 61.30 H new ATOM 0 HG21 ILE A 16 5.970 -29.836 -2.284 1.00 24.12 H new ATOM 0 HG22 ILE A 16 5.937 -28.060 -2.395 1.00 24.12 H new ATOM 0 HG23 ILE A 16 4.413 -28.975 -2.295 1.00 24.12 H new ATOM 0 HD11 ILE A 16 4.212 -31.519 -6.383 1.00 70.31 H new ATOM 0 HD12 ILE A 16 4.120 -29.754 -6.593 1.00 70.31 H new ATOM 0 HD13 ILE A 16 5.704 -30.562 -6.542 1.00 70.31 H new ATOM 284 N ARG A 17 2.898 -27.360 -3.178 1.00 22.22 N ATOM 285 CA ARG A 17 1.546 -27.348 -2.632 1.00 42.53 C ATOM 286 C ARG A 17 0.706 -26.255 -3.287 1.00 1.33 C ATOM 287 O ARG A 17 -0.307 -26.536 -3.928 1.00 3.52 O ATOM 288 CB ARG A 17 1.586 -27.137 -1.118 1.00 5.43 C ATOM 289 CG ARG A 17 2.665 -27.948 -0.418 1.00 51.32 C ATOM 290 CD ARG A 17 2.568 -29.424 -0.770 1.00 41.13 C ATOM 291 NE ARG A 17 3.563 -30.223 -0.059 1.00 52.52 N ATOM 292 CZ ARG A 17 3.496 -30.493 1.240 1.00 60.24 C ATOM 293 NH1 ARG A 17 2.487 -30.032 1.965 1.00 33.02 N ATOM 294 NH2 ARG A 17 4.440 -31.227 1.815 1.00 71.20 N ATOM 0 H ARG A 17 3.593 -26.897 -2.593 1.00 22.22 H new ATOM 0 HA ARG A 17 1.086 -28.313 -2.845 1.00 42.53 H new ATOM 0 HB2 ARG A 17 1.747 -26.079 -0.911 1.00 5.43 H new ATOM 0 HB3 ARG A 17 0.615 -27.400 -0.697 1.00 5.43 H new ATOM 0 HG2 ARG A 17 3.647 -27.569 -0.700 1.00 51.32 H new ATOM 0 HG3 ARG A 17 2.573 -27.823 0.661 1.00 51.32 H new ATOM 0 HD2 ARG A 17 1.570 -29.789 -0.528 1.00 41.13 H new ATOM 0 HD3 ARG A 17 2.702 -29.550 -1.844 1.00 41.13 H new ATOM 0 HE ARG A 17 4.352 -30.594 -0.589 1.00 52.52 H new ATOM 0 HH11 ARG A 17 1.759 -29.468 1.526 1.00 33.02 H new ATOM 0 HH12 ARG A 17 2.438 -30.241 2.962 1.00 33.02 H new ATOM 0 HH21 ARG A 17 5.217 -31.584 1.260 1.00 71.20 H new ATOM 0 HH22 ARG A 17 4.388 -31.434 2.812 1.00 71.20 H new ATOM 308 N VAL A 18 1.134 -25.007 -3.120 1.00 34.10 N ATOM 309 CA VAL A 18 0.422 -23.872 -3.694 1.00 53.25 C ATOM 310 C VAL A 18 1.386 -22.904 -4.371 1.00 53.03 C ATOM 311 O VAL A 18 2.495 -22.676 -3.889 1.00 24.10 O ATOM 312 CB VAL A 18 -0.382 -23.113 -2.622 1.00 53.53 C ATOM 313 CG1 VAL A 18 0.536 -22.625 -1.512 1.00 12.01 C ATOM 314 CG2 VAL A 18 -1.139 -21.951 -3.248 1.00 15.11 C ATOM 0 H VAL A 18 1.970 -24.757 -2.592 1.00 34.10 H new ATOM 0 HA VAL A 18 -0.267 -24.274 -4.437 1.00 53.25 H new ATOM 0 HB VAL A 18 -1.109 -23.798 -2.185 1.00 53.53 H new ATOM 0 HG11 VAL A 18 -0.050 -22.091 -0.764 1.00 12.01 H new ATOM 0 HG12 VAL A 18 1.029 -23.478 -1.046 1.00 12.01 H new ATOM 0 HG13 VAL A 18 1.288 -21.955 -1.930 1.00 12.01 H new ATOM 0 HG21 VAL A 18 -1.702 -21.426 -2.476 1.00 15.11 H new ATOM 0 HG22 VAL A 18 -0.432 -21.264 -3.713 1.00 15.11 H new ATOM 0 HG23 VAL A 18 -1.827 -22.330 -4.004 1.00 15.11 H new ATOM 324 N LYS A 19 0.955 -22.336 -5.493 1.00 10.25 N ATOM 325 CA LYS A 19 1.778 -21.390 -6.237 1.00 2.02 C ATOM 326 C LYS A 19 1.381 -19.953 -5.915 1.00 42.33 C ATOM 327 O LYS A 19 0.269 -19.693 -5.455 1.00 34.32 O ATOM 328 CB LYS A 19 1.648 -21.642 -7.741 1.00 31.14 C ATOM 329 CG LYS A 19 0.211 -21.663 -8.232 1.00 13.34 C ATOM 330 CD LYS A 19 -0.252 -23.076 -8.542 1.00 34.33 C ATOM 331 CE LYS A 19 -1.627 -23.355 -7.952 1.00 44.40 C ATOM 332 NZ LYS A 19 -1.925 -24.813 -7.906 1.00 14.32 N ATOM 0 H LYS A 19 0.040 -22.515 -5.907 1.00 10.25 H new ATOM 0 HA LYS A 19 2.816 -21.537 -5.939 1.00 2.02 H new ATOM 0 HB2 LYS A 19 2.196 -20.868 -8.279 1.00 31.14 H new ATOM 0 HB3 LYS A 19 2.120 -22.594 -7.984 1.00 31.14 H new ATOM 0 HG2 LYS A 19 -0.439 -21.224 -7.475 1.00 13.34 H new ATOM 0 HG3 LYS A 19 0.122 -21.046 -9.126 1.00 13.34 H new ATOM 0 HD2 LYS A 19 -0.282 -23.221 -9.622 1.00 34.33 H new ATOM 0 HD3 LYS A 19 0.468 -23.791 -8.144 1.00 34.33 H new ATOM 0 HE2 LYS A 19 -1.681 -22.941 -6.945 1.00 44.40 H new ATOM 0 HE3 LYS A 19 -2.387 -22.848 -8.546 1.00 44.40 H new ATOM 0 HZ1 LYS A 19 -2.870 -24.961 -7.498 1.00 14.32 H new ATOM 0 HZ2 LYS A 19 -1.899 -25.203 -8.870 1.00 14.32 H new ATOM 0 HZ3 LYS A 19 -1.215 -25.294 -7.318 1.00 14.32 H new ATOM 346 N LEU A 20 2.296 -19.022 -6.162 1.00 3.10 N ATOM 347 CA LEU A 20 2.041 -17.610 -5.900 1.00 50.42 C ATOM 348 C LEU A 20 1.010 -17.053 -6.877 1.00 11.45 C ATOM 349 O LEU A 20 0.861 -17.531 -8.001 1.00 64.40 O ATOM 350 CB LEU A 20 3.340 -16.809 -6.001 1.00 44.12 C ATOM 351 CG LEU A 20 4.573 -17.447 -5.360 1.00 44.22 C ATOM 352 CD1 LEU A 20 5.806 -16.591 -5.606 1.00 1.42 C ATOM 353 CD2 LEU A 20 4.353 -17.652 -3.869 1.00 21.25 C ATOM 0 H LEU A 20 3.221 -19.220 -6.543 1.00 3.10 H new ATOM 0 HA LEU A 20 1.644 -17.520 -4.889 1.00 50.42 H new ATOM 0 HB2 LEU A 20 3.553 -16.632 -7.055 1.00 44.12 H new ATOM 0 HB3 LEU A 20 3.179 -15.834 -5.541 1.00 44.12 H new ATOM 0 HG LEU A 20 4.735 -18.422 -5.820 1.00 44.22 H new ATOM 0 HD11 LEU A 20 6.673 -17.061 -5.143 1.00 1.42 H new ATOM 0 HD12 LEU A 20 5.975 -16.496 -6.679 1.00 1.42 H new ATOM 0 HD13 LEU A 20 5.655 -15.602 -5.173 1.00 1.42 H new ATOM 0 HD21 LEU A 20 5.241 -18.107 -3.429 1.00 21.25 H new ATOM 0 HD22 LEU A 20 4.165 -16.689 -3.393 1.00 21.25 H new ATOM 0 HD23 LEU A 20 3.495 -18.307 -3.714 1.00 21.25 H new ATOM 365 N PRO A 21 0.281 -16.015 -6.440 1.00 11.15 N ATOM 366 CA PRO A 21 -0.747 -15.368 -7.260 1.00 60.14 C ATOM 367 C PRO A 21 -0.151 -14.585 -8.425 1.00 42.01 C ATOM 368 O PRO A 21 1.044 -14.684 -8.707 1.00 14.12 O ATOM 369 CB PRO A 21 -1.441 -14.421 -6.278 1.00 41.25 C ATOM 370 CG PRO A 21 -0.415 -14.138 -5.236 1.00 32.44 C ATOM 371 CD PRO A 21 0.404 -15.393 -5.111 1.00 5.24 C ATOM 0 HA PRO A 21 -1.418 -16.094 -7.719 1.00 60.14 H new ATOM 0 HB2 PRO A 21 -1.766 -13.506 -6.773 1.00 41.25 H new ATOM 0 HB3 PRO A 21 -2.329 -14.881 -5.845 1.00 41.25 H new ATOM 0 HG2 PRO A 21 0.209 -13.291 -5.522 1.00 32.44 H new ATOM 0 HG3 PRO A 21 -0.884 -13.881 -4.286 1.00 32.44 H new ATOM 0 HD2 PRO A 21 1.443 -15.172 -4.865 1.00 5.24 H new ATOM 0 HD3 PRO A 21 0.022 -16.045 -4.325 1.00 5.24 H new ATOM 379 N LYS A 22 -0.990 -13.806 -9.099 1.00 41.03 N ATOM 380 CA LYS A 22 -0.546 -13.004 -10.233 1.00 53.41 C ATOM 381 C LYS A 22 -0.179 -11.591 -9.790 1.00 32.15 C ATOM 382 O LYS A 22 0.750 -10.984 -10.323 1.00 74.44 O ATOM 383 CB LYS A 22 -1.640 -12.946 -11.302 1.00 44.13 C ATOM 384 CG LYS A 22 -2.784 -12.010 -10.953 1.00 4.15 C ATOM 385 CD LYS A 22 -3.815 -11.950 -12.067 1.00 12.55 C ATOM 386 CE LYS A 22 -3.189 -11.514 -13.383 1.00 33.13 C ATOM 387 NZ LYS A 22 -4.211 -11.340 -14.452 1.00 71.51 N ATOM 0 H LYS A 22 -1.982 -13.713 -8.880 1.00 41.03 H new ATOM 0 HA LYS A 22 0.342 -13.476 -10.654 1.00 53.41 H new ATOM 0 HB2 LYS A 22 -1.197 -12.628 -12.246 1.00 44.13 H new ATOM 0 HB3 LYS A 22 -2.037 -13.949 -11.458 1.00 44.13 H new ATOM 0 HG2 LYS A 22 -3.261 -12.345 -10.032 1.00 4.15 H new ATOM 0 HG3 LYS A 22 -2.393 -11.010 -10.764 1.00 4.15 H new ATOM 0 HD2 LYS A 22 -4.277 -12.930 -12.190 1.00 12.55 H new ATOM 0 HD3 LYS A 22 -4.609 -11.255 -11.793 1.00 12.55 H new ATOM 0 HE2 LYS A 22 -2.653 -10.576 -13.237 1.00 33.13 H new ATOM 0 HE3 LYS A 22 -2.455 -12.255 -13.699 1.00 33.13 H new ATOM 0 HZ1 LYS A 22 -3.745 -11.043 -15.333 1.00 71.51 H new ATOM 0 HZ2 LYS A 22 -4.706 -12.241 -14.609 1.00 71.51 H new ATOM 0 HZ3 LYS A 22 -4.897 -10.614 -14.161 1.00 71.51 H new ATOM 401 N ASP A 23 -0.913 -11.074 -8.810 1.00 24.20 N ATOM 402 CA ASP A 23 -0.662 -9.734 -8.293 1.00 13.11 C ATOM 403 C ASP A 23 0.417 -9.760 -7.216 1.00 5.14 C ATOM 404 O ASP A 23 0.231 -9.227 -6.122 1.00 33.24 O ATOM 405 CB ASP A 23 -1.950 -9.134 -7.727 1.00 53.41 C ATOM 406 CG ASP A 23 -3.021 -8.957 -8.786 1.00 44.11 C ATOM 407 OD1 ASP A 23 -2.701 -8.423 -9.869 1.00 31.13 O ATOM 408 OD2 ASP A 23 -4.178 -9.352 -8.532 1.00 51.40 O ATOM 0 H ASP A 23 -1.686 -11.563 -8.358 1.00 24.20 H new ATOM 0 HA ASP A 23 -0.312 -9.113 -9.117 1.00 13.11 H new ATOM 0 HB2 ASP A 23 -2.330 -9.779 -6.934 1.00 53.41 H new ATOM 0 HB3 ASP A 23 -1.729 -8.168 -7.273 1.00 53.41 H new ATOM 413 N VAL A 24 1.547 -10.384 -7.532 1.00 65.34 N ATOM 414 CA VAL A 24 2.658 -10.480 -6.592 1.00 35.11 C ATOM 415 C VAL A 24 3.998 -10.426 -7.316 1.00 52.44 C ATOM 416 O VAL A 24 4.177 -11.053 -8.360 1.00 53.05 O ATOM 417 CB VAL A 24 2.584 -11.779 -5.768 1.00 23.32 C ATOM 418 CG1 VAL A 24 2.867 -12.987 -6.648 1.00 43.02 C ATOM 419 CG2 VAL A 24 3.555 -11.723 -4.598 1.00 11.12 C ATOM 0 H VAL A 24 1.718 -10.831 -8.433 1.00 65.34 H new ATOM 0 HA VAL A 24 2.578 -9.626 -5.919 1.00 35.11 H new ATOM 0 HB VAL A 24 1.574 -11.879 -5.369 1.00 23.32 H new ATOM 0 HG11 VAL A 24 2.810 -13.895 -6.048 1.00 43.02 H new ATOM 0 HG12 VAL A 24 2.129 -13.034 -7.449 1.00 43.02 H new ATOM 0 HG13 VAL A 24 3.865 -12.898 -7.078 1.00 43.02 H new ATOM 0 HG21 VAL A 24 3.490 -12.649 -4.026 1.00 11.12 H new ATOM 0 HG22 VAL A 24 4.571 -11.599 -4.974 1.00 11.12 H new ATOM 0 HG23 VAL A 24 3.301 -10.881 -3.955 1.00 11.12 H new ATOM 429 N ASP A 25 4.937 -9.672 -6.755 1.00 70.13 N ATOM 430 CA ASP A 25 6.263 -9.536 -7.347 1.00 30.42 C ATOM 431 C ASP A 25 7.221 -10.577 -6.777 1.00 24.43 C ATOM 432 O ASP A 25 6.992 -11.120 -5.696 1.00 24.23 O ATOM 433 CB ASP A 25 6.813 -8.130 -7.102 1.00 32.45 C ATOM 434 CG ASP A 25 7.875 -7.740 -8.110 1.00 24.30 C ATOM 435 OD1 ASP A 25 7.538 -7.600 -9.304 1.00 55.32 O ATOM 436 OD2 ASP A 25 9.045 -7.575 -7.705 1.00 12.41 O ATOM 0 H ASP A 25 4.805 -9.146 -5.891 1.00 70.13 H new ATOM 0 HA ASP A 25 6.173 -9.700 -8.421 1.00 30.42 H new ATOM 0 HB2 ASP A 25 5.995 -7.411 -7.144 1.00 32.45 H new ATOM 0 HB3 ASP A 25 7.233 -8.077 -6.097 1.00 32.45 H new ATOM 441 N ARG A 26 8.294 -10.852 -7.511 1.00 44.44 N ATOM 442 CA ARG A 26 9.286 -11.829 -7.080 1.00 22.10 C ATOM 443 C ARG A 26 10.597 -11.144 -6.705 1.00 21.34 C ATOM 444 O ARG A 26 11.385 -11.674 -5.920 1.00 41.22 O ATOM 445 CB ARG A 26 9.534 -12.858 -8.185 1.00 50.40 C ATOM 446 CG ARG A 26 8.261 -13.360 -8.846 1.00 32.32 C ATOM 447 CD ARG A 26 7.371 -14.095 -7.855 1.00 5.22 C ATOM 448 NE ARG A 26 6.288 -14.814 -8.520 1.00 10.50 N ATOM 449 CZ ARG A 26 6.465 -15.933 -9.213 1.00 3.11 C ATOM 450 NH1 ARG A 26 7.677 -16.459 -9.330 1.00 53.14 N ATOM 451 NH2 ARG A 26 5.429 -16.529 -9.790 1.00 4.24 N ATOM 0 H ARG A 26 8.499 -10.411 -8.408 1.00 44.44 H new ATOM 0 HA ARG A 26 8.897 -12.339 -6.199 1.00 22.10 H new ATOM 0 HB2 ARG A 26 10.177 -12.415 -8.945 1.00 50.40 H new ATOM 0 HB3 ARG A 26 10.074 -13.706 -7.765 1.00 50.40 H new ATOM 0 HG2 ARG A 26 7.715 -12.519 -9.272 1.00 32.32 H new ATOM 0 HG3 ARG A 26 8.516 -14.025 -9.671 1.00 32.32 H new ATOM 0 HD2 ARG A 26 7.973 -14.798 -7.280 1.00 5.22 H new ATOM 0 HD3 ARG A 26 6.951 -13.381 -7.147 1.00 5.22 H new ATOM 0 HE ARG A 26 5.343 -14.436 -8.448 1.00 10.50 H new ATOM 0 HH11 ARG A 26 8.475 -16.004 -8.887 1.00 53.14 H new ATOM 0 HH12 ARG A 26 7.811 -17.319 -9.863 1.00 53.14 H new ATOM 0 HH21 ARG A 26 4.495 -16.128 -9.701 1.00 4.24 H new ATOM 0 HH22 ARG A 26 5.566 -17.388 -10.322 1.00 4.24 H new ATOM 465 N THR A 27 10.825 -9.963 -7.271 1.00 22.14 N ATOM 466 CA THR A 27 12.040 -9.206 -6.997 1.00 64.53 C ATOM 467 C THR A 27 12.021 -8.626 -5.588 1.00 24.11 C ATOM 468 O THR A 27 13.013 -8.701 -4.862 1.00 42.44 O ATOM 469 CB THR A 27 12.228 -8.061 -8.010 1.00 4.24 C ATOM 470 OG1 THR A 27 12.124 -8.565 -9.346 1.00 30.44 O ATOM 471 CG2 THR A 27 13.580 -7.388 -7.820 1.00 54.15 C ATOM 0 H THR A 27 10.184 -9.510 -7.922 1.00 22.14 H new ATOM 0 HA THR A 27 12.874 -9.902 -7.088 1.00 64.53 H new ATOM 0 HB THR A 27 11.444 -7.323 -7.840 1.00 4.24 H new ATOM 0 HG1 THR A 27 12.243 -7.830 -9.983 1.00 30.44 H new ATOM 0 HG21 THR A 27 13.691 -6.583 -8.546 1.00 54.15 H new ATOM 0 HG22 THR A 27 13.644 -6.979 -6.812 1.00 54.15 H new ATOM 0 HG23 THR A 27 14.374 -8.120 -7.966 1.00 54.15 H new ATOM 479 N ARG A 28 10.887 -8.049 -5.206 1.00 50.40 N ATOM 480 CA ARG A 28 10.740 -7.455 -3.883 1.00 13.14 C ATOM 481 C ARG A 28 9.518 -8.022 -3.165 1.00 51.44 C ATOM 482 O ARG A 28 8.551 -7.305 -2.903 1.00 31.12 O ATOM 483 CB ARG A 28 10.620 -5.934 -3.993 1.00 55.22 C ATOM 484 CG ARG A 28 11.751 -5.289 -4.777 1.00 10.22 C ATOM 485 CD ARG A 28 13.018 -5.186 -3.943 1.00 24.23 C ATOM 486 NE ARG A 28 13.869 -4.080 -4.373 1.00 53.50 N ATOM 487 CZ ARG A 28 13.640 -2.810 -4.055 1.00 72.20 C ATOM 488 NH1 ARG A 28 12.593 -2.489 -3.307 1.00 40.05 N ATOM 489 NH2 ARG A 28 14.459 -1.859 -4.485 1.00 24.23 N ATOM 0 H ARG A 28 10.056 -7.980 -5.794 1.00 50.40 H new ATOM 0 HA ARG A 28 11.629 -7.701 -3.302 1.00 13.14 H new ATOM 0 HB2 ARG A 28 9.672 -5.686 -4.470 1.00 55.22 H new ATOM 0 HB3 ARG A 28 10.594 -5.507 -2.991 1.00 55.22 H new ATOM 0 HG2 ARG A 28 11.952 -5.873 -5.675 1.00 10.22 H new ATOM 0 HG3 ARG A 28 11.448 -4.295 -5.104 1.00 10.22 H new ATOM 0 HD2 ARG A 28 12.752 -5.052 -2.895 1.00 24.23 H new ATOM 0 HD3 ARG A 28 13.575 -6.120 -4.013 1.00 24.23 H new ATOM 0 HE ARG A 28 14.683 -4.294 -4.949 1.00 53.50 H new ATOM 0 HH11 ARG A 28 11.961 -3.218 -2.974 1.00 40.05 H new ATOM 0 HH12 ARG A 28 12.419 -1.514 -3.064 1.00 40.05 H new ATOM 0 HH21 ARG A 28 15.265 -2.102 -5.060 1.00 24.23 H new ATOM 0 HH22 ARG A 28 14.282 -0.885 -4.240 1.00 24.23 H new ATOM 503 N LEU A 29 9.568 -9.311 -2.852 1.00 21.52 N ATOM 504 CA LEU A 29 8.465 -9.975 -2.165 1.00 63.32 C ATOM 505 C LEU A 29 8.413 -9.566 -0.697 1.00 14.32 C ATOM 506 O LEU A 29 7.421 -9.811 -0.010 1.00 44.50 O ATOM 507 CB LEU A 29 8.609 -11.494 -2.278 1.00 32.11 C ATOM 508 CG LEU A 29 7.374 -12.315 -1.905 1.00 55.50 C ATOM 509 CD1 LEU A 29 6.221 -12.002 -2.846 1.00 51.35 C ATOM 510 CD2 LEU A 29 7.694 -13.802 -1.928 1.00 4.14 C ATOM 0 H LEU A 29 10.360 -9.918 -3.063 1.00 21.52 H new ATOM 0 HA LEU A 29 7.534 -9.668 -2.642 1.00 63.32 H new ATOM 0 HB2 LEU A 29 8.886 -11.737 -3.304 1.00 32.11 H new ATOM 0 HB3 LEU A 29 9.436 -11.809 -1.641 1.00 32.11 H new ATOM 0 HG LEU A 29 7.074 -12.044 -0.893 1.00 55.50 H new ATOM 0 HD11 LEU A 29 5.351 -12.595 -2.565 1.00 51.35 H new ATOM 0 HD12 LEU A 29 5.974 -10.942 -2.779 1.00 51.35 H new ATOM 0 HD13 LEU A 29 6.510 -12.244 -3.869 1.00 51.35 H new ATOM 0 HD21 LEU A 29 6.803 -14.370 -1.660 1.00 4.14 H new ATOM 0 HD22 LEU A 29 8.020 -14.089 -2.928 1.00 4.14 H new ATOM 0 HD23 LEU A 29 8.489 -14.014 -1.213 1.00 4.14 H new ATOM 522 N GLU A 30 9.485 -8.939 -0.224 1.00 23.24 N ATOM 523 CA GLU A 30 9.560 -8.494 1.163 1.00 34.41 C ATOM 524 C GLU A 30 8.429 -7.521 1.484 1.00 74.43 C ATOM 525 O GLU A 30 7.850 -7.562 2.570 1.00 52.14 O ATOM 526 CB GLU A 30 10.911 -7.831 1.438 1.00 71.14 C ATOM 527 CG GLU A 30 11.054 -6.457 0.806 1.00 52.32 C ATOM 528 CD GLU A 30 10.496 -5.351 1.681 1.00 24.34 C ATOM 529 OE1 GLU A 30 10.045 -5.656 2.805 1.00 20.33 O ATOM 530 OE2 GLU A 30 10.511 -4.182 1.243 1.00 23.14 O ATOM 0 H GLU A 30 10.313 -8.728 -0.780 1.00 23.24 H new ATOM 0 HA GLU A 30 9.456 -9.369 1.804 1.00 34.41 H new ATOM 0 HB2 GLU A 30 11.050 -7.742 2.515 1.00 71.14 H new ATOM 0 HB3 GLU A 30 11.706 -8.477 1.066 1.00 71.14 H new ATOM 0 HG2 GLU A 30 12.108 -6.261 0.607 1.00 52.32 H new ATOM 0 HG3 GLU A 30 10.541 -6.448 -0.156 1.00 52.32 H new ATOM 537 N ARG A 31 8.120 -6.648 0.531 1.00 0.52 N ATOM 538 CA ARG A 31 7.060 -5.663 0.712 1.00 42.20 C ATOM 539 C ARG A 31 5.691 -6.337 0.741 1.00 43.52 C ATOM 540 O ARG A 31 4.695 -5.726 1.130 1.00 41.25 O ATOM 541 CB ARG A 31 7.105 -4.622 -0.409 1.00 31.44 C ATOM 542 CG ARG A 31 7.973 -3.417 -0.086 1.00 55.21 C ATOM 543 CD ARG A 31 7.442 -2.155 -0.749 1.00 60.31 C ATOM 544 NE ARG A 31 8.008 -0.946 -0.157 1.00 63.32 N ATOM 545 CZ ARG A 31 9.269 -0.564 -0.330 1.00 73.14 C ATOM 546 NH1 ARG A 31 10.089 -1.292 -1.075 1.00 24.43 N ATOM 547 NH2 ARG A 31 9.710 0.549 0.241 1.00 2.10 N ATOM 0 H ARG A 31 8.588 -6.603 -0.374 1.00 0.52 H new ATOM 0 HA ARG A 31 7.221 -5.164 1.668 1.00 42.20 H new ATOM 0 HB2 ARG A 31 7.478 -5.095 -1.318 1.00 31.44 H new ATOM 0 HB3 ARG A 31 6.091 -4.283 -0.619 1.00 31.44 H new ATOM 0 HG2 ARG A 31 8.011 -3.274 0.994 1.00 55.21 H new ATOM 0 HG3 ARG A 31 8.994 -3.603 -0.419 1.00 55.21 H new ATOM 0 HD2 ARG A 31 7.674 -2.180 -1.814 1.00 60.31 H new ATOM 0 HD3 ARG A 31 6.356 -2.128 -0.660 1.00 60.31 H new ATOM 0 HE ARG A 31 7.402 -0.363 0.421 1.00 63.32 H new ATOM 0 HH11 ARG A 31 9.752 -2.147 -1.517 1.00 24.43 H new ATOM 0 HH12 ARG A 31 11.056 -0.997 -1.206 1.00 24.43 H new ATOM 0 HH21 ARG A 31 9.081 1.112 0.813 1.00 2.10 H new ATOM 0 HH22 ARG A 31 10.678 0.842 0.108 1.00 2.10 H new ATOM 561 N HIS A 32 5.650 -7.599 0.326 1.00 12.22 N ATOM 562 CA HIS A 32 4.403 -8.356 0.305 1.00 42.24 C ATOM 563 C HIS A 32 4.226 -9.148 1.597 1.00 51.34 C ATOM 564 O HIS A 32 3.201 -9.799 1.802 1.00 14.34 O ATOM 565 CB HIS A 32 4.378 -9.303 -0.895 1.00 51.14 C ATOM 566 CG HIS A 32 3.920 -8.651 -2.164 1.00 1.24 C ATOM 567 ND1 HIS A 32 2.594 -8.395 -2.442 1.00 60.23 N ATOM 568 CD2 HIS A 32 4.621 -8.200 -3.230 1.00 52.13 C ATOM 569 CE1 HIS A 32 2.499 -7.817 -3.626 1.00 52.12 C ATOM 570 NE2 HIS A 32 3.715 -7.687 -4.125 1.00 53.53 N ATOM 0 H HIS A 32 6.465 -8.119 -0.000 1.00 12.22 H new ATOM 0 HA HIS A 32 3.578 -7.649 0.218 1.00 42.24 H new ATOM 0 HB2 HIS A 32 5.377 -9.711 -1.046 1.00 51.14 H new ATOM 0 HB3 HIS A 32 3.721 -10.143 -0.670 1.00 51.14 H new ATOM 0 HD1 HIS A 32 1.809 -8.617 -1.829 1.00 60.23 H new ATOM 0 HD2 HIS A 32 5.693 -8.237 -3.354 1.00 52.13 H new ATOM 0 HE1 HIS A 32 1.583 -7.504 -4.105 1.00 52.12 H new ATOM 578 N LEU A 33 5.231 -9.089 2.463 1.00 13.44 N ATOM 579 CA LEU A 33 5.186 -9.801 3.736 1.00 45.12 C ATOM 580 C LEU A 33 5.187 -8.824 4.907 1.00 1.11 C ATOM 581 O LEU A 33 6.037 -7.937 4.989 1.00 64.54 O ATOM 582 CB LEU A 33 6.377 -10.754 3.851 1.00 5.20 C ATOM 583 CG LEU A 33 6.107 -12.085 4.554 1.00 51.50 C ATOM 584 CD1 LEU A 33 5.390 -13.046 3.619 1.00 14.11 C ATOM 585 CD2 LEU A 33 7.406 -12.696 5.056 1.00 25.25 C ATOM 0 H LEU A 33 6.087 -8.556 2.308 1.00 13.44 H new ATOM 0 HA LEU A 33 4.262 -10.378 3.769 1.00 45.12 H new ATOM 0 HB2 LEU A 33 6.746 -10.965 2.847 1.00 5.20 H new ATOM 0 HB3 LEU A 33 7.177 -10.241 4.384 1.00 5.20 H new ATOM 0 HG LEU A 33 5.462 -11.897 5.412 1.00 51.50 H new ATOM 0 HD11 LEU A 33 5.206 -13.988 4.136 1.00 14.11 H new ATOM 0 HD12 LEU A 33 4.440 -12.611 3.309 1.00 14.11 H new ATOM 0 HD13 LEU A 33 6.009 -13.229 2.741 1.00 14.11 H new ATOM 0 HD21 LEU A 33 7.195 -13.643 5.553 1.00 25.25 H new ATOM 0 HD22 LEU A 33 8.075 -12.870 4.214 1.00 25.25 H new ATOM 0 HD23 LEU A 33 7.880 -12.014 5.761 1.00 25.25 H new ATOM 597 N SER A 34 4.230 -8.994 5.813 1.00 14.33 N ATOM 598 CA SER A 34 4.119 -8.126 6.980 1.00 54.11 C ATOM 599 C SER A 34 5.460 -8.006 7.698 1.00 74.54 C ATOM 600 O SER A 34 6.373 -8.807 7.498 1.00 62.22 O ATOM 601 CB SER A 34 3.058 -8.663 7.943 1.00 61.53 C ATOM 602 OG SER A 34 3.654 -9.381 9.009 1.00 5.14 O ATOM 0 H SER A 34 3.520 -9.725 5.762 1.00 14.33 H new ATOM 0 HA SER A 34 3.820 -7.135 6.638 1.00 54.11 H new ATOM 0 HB2 SER A 34 2.471 -7.835 8.341 1.00 61.53 H new ATOM 0 HB3 SER A 34 2.368 -9.312 7.404 1.00 61.53 H new ATOM 0 HG SER A 34 2.955 -9.712 9.611 1.00 5.14 H new ATOM 608 N PRO A 35 5.582 -6.982 8.554 1.00 11.25 N ATOM 609 CA PRO A 35 6.807 -6.732 9.320 1.00 33.23 C ATOM 610 C PRO A 35 7.043 -7.787 10.396 1.00 62.25 C ATOM 611 O PRO A 35 8.164 -8.261 10.576 1.00 23.12 O ATOM 612 CB PRO A 35 6.553 -5.365 9.960 1.00 53.33 C ATOM 613 CG PRO A 35 5.069 -5.254 10.040 1.00 43.42 C ATOM 614 CD PRO A 35 4.534 -5.988 8.842 1.00 33.31 C ATOM 0 HA PRO A 35 7.695 -6.764 8.689 1.00 33.23 H new ATOM 0 HB2 PRO A 35 7.009 -5.300 10.948 1.00 53.33 H new ATOM 0 HB3 PRO A 35 6.978 -4.561 9.359 1.00 53.33 H new ATOM 0 HG2 PRO A 35 4.694 -5.692 10.965 1.00 43.42 H new ATOM 0 HG3 PRO A 35 4.755 -4.210 10.031 1.00 43.42 H new ATOM 0 HD2 PRO A 35 3.577 -6.464 9.057 1.00 33.31 H new ATOM 0 HD3 PRO A 35 4.374 -5.317 7.998 1.00 33.31 H new ATOM 622 N GLU A 36 5.980 -8.150 11.106 1.00 71.50 N ATOM 623 CA GLU A 36 6.074 -9.150 12.164 1.00 52.13 C ATOM 624 C GLU A 36 6.446 -10.514 11.591 1.00 24.53 C ATOM 625 O GLU A 36 7.175 -11.283 12.218 1.00 61.15 O ATOM 626 CB GLU A 36 4.749 -9.247 12.923 1.00 72.54 C ATOM 627 CG GLU A 36 4.598 -8.207 14.020 1.00 74.04 C ATOM 628 CD GLU A 36 3.388 -8.458 14.899 1.00 25.45 C ATOM 629 OE1 GLU A 36 2.402 -9.039 14.400 1.00 63.34 O ATOM 630 OE2 GLU A 36 3.428 -8.074 16.087 1.00 71.41 O ATOM 0 H GLU A 36 5.045 -7.767 10.968 1.00 71.50 H new ATOM 0 HA GLU A 36 6.858 -8.839 12.855 1.00 52.13 H new ATOM 0 HB2 GLU A 36 3.926 -9.139 12.216 1.00 72.54 H new ATOM 0 HB3 GLU A 36 4.664 -10.241 13.362 1.00 72.54 H new ATOM 0 HG2 GLU A 36 5.496 -8.202 14.637 1.00 74.04 H new ATOM 0 HG3 GLU A 36 4.516 -7.218 13.569 1.00 74.04 H new ATOM 637 N GLU A 37 5.940 -10.807 10.398 1.00 72.45 N ATOM 638 CA GLU A 37 6.218 -12.080 9.742 1.00 43.54 C ATOM 639 C GLU A 37 7.653 -12.122 9.224 1.00 41.04 C ATOM 640 O GLU A 37 8.329 -13.147 9.318 1.00 51.23 O ATOM 641 CB GLU A 37 5.241 -12.308 8.587 1.00 74.11 C ATOM 642 CG GLU A 37 4.222 -13.402 8.860 1.00 53.34 C ATOM 643 CD GLU A 37 3.019 -12.898 9.633 1.00 34.44 C ATOM 644 OE1 GLU A 37 3.153 -12.667 10.853 1.00 20.44 O ATOM 645 OE2 GLU A 37 1.943 -12.736 9.020 1.00 44.33 O ATOM 0 H GLU A 37 5.336 -10.181 9.866 1.00 72.45 H new ATOM 0 HA GLU A 37 6.091 -12.874 10.478 1.00 43.54 H new ATOM 0 HB2 GLU A 37 4.715 -11.377 8.378 1.00 74.11 H new ATOM 0 HB3 GLU A 37 5.805 -12.564 7.690 1.00 74.11 H new ATOM 0 HG2 GLU A 37 3.889 -13.828 7.913 1.00 53.34 H new ATOM 0 HG3 GLU A 37 4.699 -14.206 9.421 1.00 53.34 H new ATOM 652 N PHE A 38 8.111 -11.001 8.676 1.00 65.42 N ATOM 653 CA PHE A 38 9.465 -10.910 8.141 1.00 41.10 C ATOM 654 C PHE A 38 10.500 -11.133 9.240 1.00 42.33 C ATOM 655 O PHE A 38 11.475 -11.859 9.049 1.00 31.44 O ATOM 656 CB PHE A 38 9.686 -9.545 7.486 1.00 61.14 C ATOM 657 CG PHE A 38 10.472 -9.614 6.207 1.00 33.13 C ATOM 658 CD1 PHE A 38 9.932 -10.208 5.078 1.00 54.20 C ATOM 659 CD2 PHE A 38 11.751 -9.086 6.135 1.00 15.43 C ATOM 660 CE1 PHE A 38 10.652 -10.273 3.900 1.00 54.41 C ATOM 661 CE2 PHE A 38 12.475 -9.147 4.960 1.00 61.10 C ATOM 662 CZ PHE A 38 11.926 -9.742 3.841 1.00 35.43 C ATOM 0 H PHE A 38 7.565 -10.144 8.591 1.00 65.42 H new ATOM 0 HA PHE A 38 9.585 -11.690 7.389 1.00 41.10 H new ATOM 0 HB2 PHE A 38 8.718 -9.087 7.284 1.00 61.14 H new ATOM 0 HB3 PHE A 38 10.206 -8.894 8.188 1.00 61.14 H new ATOM 0 HD1 PHE A 38 8.937 -10.625 5.119 1.00 54.20 H new ATOM 0 HD2 PHE A 38 12.187 -8.622 7.007 1.00 15.43 H new ATOM 0 HE1 PHE A 38 10.219 -10.738 3.027 1.00 54.41 H new ATOM 0 HE2 PHE A 38 13.470 -8.730 4.916 1.00 61.10 H new ATOM 0 HZ PHE A 38 12.491 -9.792 2.922 1.00 35.43 H new ATOM 672 N GLN A 39 10.280 -10.501 10.388 1.00 22.55 N ATOM 673 CA GLN A 39 11.194 -10.630 11.517 1.00 3.42 C ATOM 674 C GLN A 39 11.001 -11.967 12.225 1.00 2.41 C ATOM 675 O GLN A 39 11.904 -12.457 12.902 1.00 43.31 O ATOM 676 CB GLN A 39 10.983 -9.481 12.505 1.00 52.11 C ATOM 677 CG GLN A 39 9.604 -9.474 13.144 1.00 34.41 C ATOM 678 CD GLN A 39 9.506 -10.413 14.330 1.00 33.23 C ATOM 679 OE1 GLN A 39 10.516 -10.786 14.927 1.00 64.02 O ATOM 680 NE2 GLN A 39 8.285 -10.801 14.680 1.00 73.15 N ATOM 0 H GLN A 39 9.478 -9.895 10.561 1.00 22.55 H new ATOM 0 HA GLN A 39 12.213 -10.587 11.133 1.00 3.42 H new ATOM 0 HB2 GLN A 39 11.737 -9.544 13.289 1.00 52.11 H new ATOM 0 HB3 GLN A 39 11.139 -8.534 11.988 1.00 52.11 H new ATOM 0 HG2 GLN A 39 9.362 -8.461 13.466 1.00 34.41 H new ATOM 0 HG3 GLN A 39 8.861 -9.757 12.399 1.00 34.41 H new ATOM 0 HE21 GLN A 39 7.475 -10.468 14.158 1.00 73.15 H new ATOM 0 HE22 GLN A 39 8.158 -11.432 15.471 1.00 73.15 H new ATOM 689 N GLU A 40 9.818 -12.551 12.064 1.00 51.42 N ATOM 690 CA GLU A 40 9.507 -13.831 12.689 1.00 10.31 C ATOM 691 C GLU A 40 10.021 -14.990 11.840 1.00 3.05 C ATOM 692 O GLU A 40 10.400 -16.037 12.365 1.00 62.54 O ATOM 693 CB GLU A 40 7.997 -13.968 12.898 1.00 5.15 C ATOM 694 CG GLU A 40 7.585 -15.300 13.502 1.00 3.02 C ATOM 695 CD GLU A 40 8.076 -15.472 14.927 1.00 42.34 C ATOM 696 OE1 GLU A 40 9.228 -15.918 15.108 1.00 43.30 O ATOM 697 OE2 GLU A 40 7.307 -15.160 15.860 1.00 4.51 O ATOM 0 H GLU A 40 9.060 -12.158 11.506 1.00 51.42 H new ATOM 0 HA GLU A 40 10.005 -13.864 13.658 1.00 10.31 H new ATOM 0 HB2 GLU A 40 7.654 -13.162 13.547 1.00 5.15 H new ATOM 0 HB3 GLU A 40 7.493 -13.842 11.940 1.00 5.15 H new ATOM 0 HG2 GLU A 40 6.498 -15.382 13.484 1.00 3.02 H new ATOM 0 HG3 GLU A 40 7.976 -16.110 12.887 1.00 3.02 H new ATOM 704 N VAL A 41 10.031 -14.795 10.526 1.00 52.53 N ATOM 705 CA VAL A 41 10.499 -15.822 9.603 1.00 34.34 C ATOM 706 C VAL A 41 12.007 -15.733 9.400 1.00 31.23 C ATOM 707 O VAL A 41 12.650 -16.707 9.009 1.00 61.32 O ATOM 708 CB VAL A 41 9.800 -15.709 8.235 1.00 11.04 C ATOM 709 CG1 VAL A 41 8.294 -15.853 8.391 1.00 33.34 C ATOM 710 CG2 VAL A 41 10.151 -14.389 7.566 1.00 12.21 C ATOM 0 H VAL A 41 9.720 -13.934 10.076 1.00 52.53 H new ATOM 0 HA VAL A 41 10.252 -16.785 10.050 1.00 34.34 H new ATOM 0 HB VAL A 41 10.154 -16.519 7.597 1.00 11.04 H new ATOM 0 HG11 VAL A 41 7.817 -15.770 7.414 1.00 33.34 H new ATOM 0 HG12 VAL A 41 8.065 -16.826 8.826 1.00 33.34 H new ATOM 0 HG13 VAL A 41 7.919 -15.066 9.045 1.00 33.34 H new ATOM 0 HG21 VAL A 41 9.649 -14.326 6.601 1.00 12.21 H new ATOM 0 HG22 VAL A 41 9.827 -13.563 8.199 1.00 12.21 H new ATOM 0 HG23 VAL A 41 11.229 -14.331 7.418 1.00 12.21 H new ATOM 720 N PHE A 42 12.566 -14.558 9.669 1.00 22.15 N ATOM 721 CA PHE A 42 14.000 -14.341 9.516 1.00 50.20 C ATOM 722 C PHE A 42 14.740 -14.658 10.812 1.00 10.22 C ATOM 723 O PHE A 42 15.761 -15.343 10.805 1.00 24.41 O ATOM 724 CB PHE A 42 14.276 -12.895 9.098 1.00 23.01 C ATOM 725 CG PHE A 42 14.134 -12.660 7.621 1.00 21.25 C ATOM 726 CD1 PHE A 42 13.187 -13.353 6.884 1.00 1.24 C ATOM 727 CD2 PHE A 42 14.948 -11.747 6.970 1.00 31.23 C ATOM 728 CE1 PHE A 42 13.053 -13.139 5.525 1.00 3.24 C ATOM 729 CE2 PHE A 42 14.818 -11.529 5.612 1.00 44.32 C ATOM 730 CZ PHE A 42 13.871 -12.226 4.888 1.00 31.22 C ATOM 0 H PHE A 42 12.048 -13.742 9.994 1.00 22.15 H new ATOM 0 HA PHE A 42 14.363 -15.013 8.738 1.00 50.20 H new ATOM 0 HB2 PHE A 42 13.592 -12.234 9.630 1.00 23.01 H new ATOM 0 HB3 PHE A 42 15.286 -12.623 9.406 1.00 23.01 H new ATOM 0 HD1 PHE A 42 12.546 -14.069 7.377 1.00 1.24 H new ATOM 0 HD2 PHE A 42 15.692 -11.200 7.530 1.00 31.23 H new ATOM 0 HE1 PHE A 42 12.310 -13.685 4.962 1.00 3.24 H new ATOM 0 HE2 PHE A 42 15.457 -10.813 5.117 1.00 44.32 H new ATOM 0 HZ PHE A 42 13.770 -12.058 3.826 1.00 31.22 H new ATOM 740 N GLY A 43 14.216 -14.152 11.925 1.00 60.12 N ATOM 741 CA GLY A 43 14.839 -14.391 13.213 1.00 3.14 C ATOM 742 C GLY A 43 15.209 -13.105 13.926 1.00 43.03 C ATOM 743 O GLY A 43 15.037 -12.988 15.139 1.00 64.14 O ATOM 0 H GLY A 43 13.371 -13.581 11.957 1.00 60.12 H new ATOM 0 HA2 GLY A 43 14.160 -14.968 13.840 1.00 3.14 H new ATOM 0 HA3 GLY A 43 15.735 -14.996 13.073 1.00 3.14 H new ATOM 747 N MET A 44 15.720 -12.138 13.171 1.00 63.14 N ATOM 748 CA MET A 44 16.116 -10.854 13.738 1.00 61.30 C ATOM 749 C MET A 44 14.906 -9.942 13.915 1.00 44.02 C ATOM 750 O MET A 44 13.765 -10.368 13.741 1.00 31.41 O ATOM 751 CB MET A 44 17.155 -10.176 12.843 1.00 10.42 C ATOM 752 CG MET A 44 16.772 -10.159 11.372 1.00 22.12 C ATOM 753 SD MET A 44 17.592 -11.458 10.427 1.00 54.52 S ATOM 754 CE MET A 44 18.429 -10.488 9.175 1.00 54.22 C ATOM 0 H MET A 44 15.870 -12.219 12.165 1.00 63.14 H new ATOM 0 HA MET A 44 16.556 -11.038 14.718 1.00 61.30 H new ATOM 0 HB2 MET A 44 17.302 -9.151 13.183 1.00 10.42 H new ATOM 0 HB3 MET A 44 18.110 -10.690 12.955 1.00 10.42 H new ATOM 0 HG2 MET A 44 15.692 -10.275 11.280 1.00 22.12 H new ATOM 0 HG3 MET A 44 17.026 -9.189 10.945 1.00 22.12 H new ATOM 0 HE1 MET A 44 19.422 -10.901 8.998 1.00 54.22 H new ATOM 0 HE2 MET A 44 17.855 -10.515 8.249 1.00 54.22 H new ATOM 0 HE3 MET A 44 18.520 -9.456 9.515 1.00 54.22 H new ATOM 764 N SER A 45 15.164 -8.685 14.262 1.00 44.05 N ATOM 765 CA SER A 45 14.096 -7.714 14.466 1.00 41.21 C ATOM 766 C SER A 45 13.805 -6.947 13.179 1.00 21.52 C ATOM 767 O SER A 45 14.696 -6.735 12.356 1.00 52.41 O ATOM 768 CB SER A 45 14.473 -6.736 15.581 1.00 61.32 C ATOM 769 OG SER A 45 14.753 -5.449 15.058 1.00 60.42 O ATOM 0 H SER A 45 16.103 -8.315 14.408 1.00 44.05 H new ATOM 0 HA SER A 45 13.196 -8.257 14.757 1.00 41.21 H new ATOM 0 HB2 SER A 45 13.658 -6.670 16.302 1.00 61.32 H new ATOM 0 HB3 SER A 45 15.344 -7.111 16.119 1.00 61.32 H new ATOM 0 HG SER A 45 14.990 -4.843 15.791 1.00 60.42 H new ATOM 775 N ILE A 46 12.553 -6.536 13.014 1.00 53.15 N ATOM 776 CA ILE A 46 12.144 -5.793 11.828 1.00 12.43 C ATOM 777 C ILE A 46 13.010 -4.553 11.630 1.00 22.45 C ATOM 778 O ILE A 46 13.245 -4.122 10.502 1.00 35.11 O ATOM 779 CB ILE A 46 10.667 -5.364 11.914 1.00 31.12 C ATOM 780 CG1 ILE A 46 10.109 -5.095 10.515 1.00 20.30 C ATOM 781 CG2 ILE A 46 10.524 -4.131 12.793 1.00 15.15 C ATOM 782 CD1 ILE A 46 10.282 -3.663 10.060 1.00 21.04 C ATOM 0 H ILE A 46 11.804 -6.704 13.686 1.00 53.15 H new ATOM 0 HA ILE A 46 12.271 -6.462 10.977 1.00 12.43 H new ATOM 0 HB ILE A 46 10.094 -6.175 12.363 1.00 31.12 H new ATOM 0 HG12 ILE A 46 10.603 -5.756 9.803 1.00 20.30 H new ATOM 0 HG13 ILE A 46 9.048 -5.346 10.501 1.00 20.30 H new ATOM 0 HG21 ILE A 46 9.475 -3.840 12.844 1.00 15.15 H new ATOM 0 HG22 ILE A 46 10.888 -4.355 13.796 1.00 15.15 H new ATOM 0 HG23 ILE A 46 11.107 -3.313 12.370 1.00 15.15 H new ATOM 0 HD11 ILE A 46 9.864 -3.546 9.060 1.00 21.04 H new ATOM 0 HD12 ILE A 46 9.765 -2.997 10.750 1.00 21.04 H new ATOM 0 HD13 ILE A 46 11.343 -3.413 10.041 1.00 21.04 H new ATOM 794 N GLU A 47 13.485 -3.987 12.736 1.00 55.03 N ATOM 795 CA GLU A 47 14.326 -2.798 12.683 1.00 45.42 C ATOM 796 C GLU A 47 15.641 -3.093 11.967 1.00 62.13 C ATOM 797 O GLU A 47 16.152 -2.261 11.218 1.00 3.23 O ATOM 798 CB GLU A 47 14.607 -2.281 14.095 1.00 23.25 C ATOM 799 CG GLU A 47 13.375 -2.238 14.984 1.00 44.32 C ATOM 800 CD GLU A 47 13.596 -1.430 16.248 1.00 52.32 C ATOM 801 OE1 GLU A 47 14.461 -0.529 16.232 1.00 20.11 O ATOM 802 OE2 GLU A 47 12.904 -1.698 17.252 1.00 0.42 O ATOM 0 H GLU A 47 13.301 -4.333 13.678 1.00 55.03 H new ATOM 0 HA GLU A 47 13.791 -2.031 12.123 1.00 45.42 H new ATOM 0 HB2 GLU A 47 15.360 -2.916 14.562 1.00 23.25 H new ATOM 0 HB3 GLU A 47 15.032 -1.279 14.028 1.00 23.25 H new ATOM 0 HG2 GLU A 47 12.543 -1.811 14.425 1.00 44.32 H new ATOM 0 HG3 GLU A 47 13.090 -3.255 15.253 1.00 44.32 H new ATOM 809 N GLU A 48 16.183 -4.284 12.203 1.00 35.03 N ATOM 810 CA GLU A 48 17.438 -4.689 11.582 1.00 2.42 C ATOM 811 C GLU A 48 17.340 -4.620 10.061 1.00 74.01 C ATOM 812 O GLU A 48 18.259 -4.154 9.388 1.00 5.13 O ATOM 813 CB GLU A 48 17.814 -6.107 12.016 1.00 0.14 C ATOM 814 CG GLU A 48 19.299 -6.406 11.898 1.00 71.41 C ATOM 815 CD GLU A 48 20.114 -5.760 13.001 1.00 43.21 C ATOM 816 OE1 GLU A 48 19.591 -4.841 13.666 1.00 63.25 O ATOM 817 OE2 GLU A 48 21.276 -6.173 13.199 1.00 20.32 O ATOM 0 H GLU A 48 15.772 -4.985 12.820 1.00 35.03 H new ATOM 0 HA GLU A 48 18.215 -3.999 11.910 1.00 2.42 H new ATOM 0 HB2 GLU A 48 17.503 -6.256 13.050 1.00 0.14 H new ATOM 0 HB3 GLU A 48 17.259 -6.823 11.410 1.00 0.14 H new ATOM 0 HG2 GLU A 48 19.452 -7.485 11.923 1.00 71.41 H new ATOM 0 HG3 GLU A 48 19.661 -6.055 10.931 1.00 71.41 H new ATOM 824 N PHE A 49 16.217 -5.088 9.525 1.00 64.40 N ATOM 825 CA PHE A 49 15.998 -5.082 8.083 1.00 30.23 C ATOM 826 C PHE A 49 16.113 -3.668 7.522 1.00 71.13 C ATOM 827 O PHE A 49 16.900 -3.413 6.610 1.00 54.23 O ATOM 828 CB PHE A 49 14.622 -5.664 7.753 1.00 51.00 C ATOM 829 CG PHE A 49 14.376 -7.010 8.372 1.00 13.14 C ATOM 830 CD1 PHE A 49 15.377 -7.967 8.402 1.00 32.21 C ATOM 831 CD2 PHE A 49 13.143 -7.318 8.925 1.00 73.04 C ATOM 832 CE1 PHE A 49 15.154 -9.207 8.972 1.00 53.33 C ATOM 833 CE2 PHE A 49 12.914 -8.555 9.496 1.00 71.51 C ATOM 834 CZ PHE A 49 13.920 -9.501 9.518 1.00 22.44 C ATOM 0 H PHE A 49 15.445 -5.476 10.067 1.00 64.40 H new ATOM 0 HA PHE A 49 16.767 -5.701 7.621 1.00 30.23 H new ATOM 0 HB2 PHE A 49 13.852 -4.971 8.092 1.00 51.00 H new ATOM 0 HB3 PHE A 49 14.522 -5.747 6.671 1.00 51.00 H new ATOM 0 HD1 PHE A 49 16.343 -7.742 7.975 1.00 32.21 H new ATOM 0 HD2 PHE A 49 12.352 -6.583 8.909 1.00 73.04 H new ATOM 0 HE1 PHE A 49 15.943 -9.944 8.990 1.00 53.33 H new ATOM 0 HE2 PHE A 49 11.949 -8.782 9.925 1.00 71.51 H new ATOM 0 HZ PHE A 49 13.742 -10.469 9.962 1.00 22.44 H new ATOM 844 N ASP A 50 15.323 -2.753 8.073 1.00 73.44 N ATOM 845 CA ASP A 50 15.335 -1.365 7.628 1.00 1.51 C ATOM 846 C ASP A 50 16.740 -0.777 7.720 1.00 71.10 C ATOM 847 O ASP A 50 17.152 0.007 6.866 1.00 45.45 O ATOM 848 CB ASP A 50 14.364 -0.530 8.465 1.00 62.10 C ATOM 849 CG ASP A 50 14.152 0.858 7.893 1.00 72.30 C ATOM 850 OD1 ASP A 50 14.596 1.104 6.752 1.00 62.01 O ATOM 851 OD2 ASP A 50 13.540 1.697 8.586 1.00 45.41 O ATOM 0 H ASP A 50 14.666 -2.948 8.829 1.00 73.44 H new ATOM 0 HA ASP A 50 15.018 -1.341 6.586 1.00 1.51 H new ATOM 0 HB2 ASP A 50 13.405 -1.045 8.525 1.00 62.10 H new ATOM 0 HB3 ASP A 50 14.746 -0.446 9.483 1.00 62.10 H new ATOM 856 N ARG A 51 17.469 -1.161 8.762 1.00 24.24 N ATOM 857 CA ARG A 51 18.827 -0.671 8.967 1.00 10.32 C ATOM 858 C ARG A 51 19.797 -1.335 7.995 1.00 44.22 C ATOM 859 O ARG A 51 20.842 -0.773 7.663 1.00 23.20 O ATOM 860 CB ARG A 51 19.274 -0.930 10.407 1.00 11.21 C ATOM 861 CG ARG A 51 18.994 0.229 11.350 1.00 45.55 C ATOM 862 CD ARG A 51 17.698 0.023 12.117 1.00 10.50 C ATOM 863 NE ARG A 51 17.584 0.934 13.253 1.00 53.31 N ATOM 864 CZ ARG A 51 18.176 0.727 14.424 1.00 71.22 C ATOM 865 NH1 ARG A 51 18.920 -0.354 14.612 1.00 62.24 N ATOM 866 NH2 ARG A 51 18.024 1.602 15.410 1.00 64.14 N ATOM 0 H ARG A 51 17.142 -1.810 9.478 1.00 24.24 H new ATOM 0 HA ARG A 51 18.831 0.403 8.780 1.00 10.32 H new ATOM 0 HB2 ARG A 51 18.769 -1.821 10.780 1.00 11.21 H new ATOM 0 HB3 ARG A 51 20.343 -1.143 10.414 1.00 11.21 H new ATOM 0 HG2 ARG A 51 19.821 0.336 12.052 1.00 45.55 H new ATOM 0 HG3 ARG A 51 18.938 1.157 10.781 1.00 45.55 H new ATOM 0 HD2 ARG A 51 16.852 0.172 11.446 1.00 10.50 H new ATOM 0 HD3 ARG A 51 17.646 -1.007 12.471 1.00 10.50 H new ATOM 0 HE ARG A 51 17.019 1.776 13.141 1.00 53.31 H new ATOM 0 HH11 ARG A 51 19.039 -1.029 13.857 1.00 62.24 H new ATOM 0 HH12 ARG A 51 19.374 -0.511 15.512 1.00 62.24 H new ATOM 0 HH21 ARG A 51 17.452 2.435 15.269 1.00 64.14 H new ATOM 0 HH22 ARG A 51 18.479 1.442 16.309 1.00 64.14 H new ATOM 880 N LEU A 52 19.446 -2.533 7.542 1.00 55.02 N ATOM 881 CA LEU A 52 20.285 -3.275 6.607 1.00 2.45 C ATOM 882 C LEU A 52 20.115 -2.748 5.186 1.00 3.32 C ATOM 883 O LEU A 52 19.250 -1.913 4.922 1.00 23.05 O ATOM 884 CB LEU A 52 19.943 -4.765 6.655 1.00 13.35 C ATOM 885 CG LEU A 52 20.511 -5.546 7.840 1.00 21.25 C ATOM 886 CD1 LEU A 52 19.879 -6.927 7.922 1.00 62.24 C ATOM 887 CD2 LEU A 52 22.025 -5.656 7.730 1.00 31.01 C ATOM 0 H LEU A 52 18.585 -3.012 7.807 1.00 55.02 H new ATOM 0 HA LEU A 52 21.325 -3.138 6.904 1.00 2.45 H new ATOM 0 HB2 LEU A 52 18.858 -4.868 6.664 1.00 13.35 H new ATOM 0 HB3 LEU A 52 20.300 -5.229 5.735 1.00 13.35 H new ATOM 0 HG LEU A 52 20.271 -5.005 8.755 1.00 21.25 H new ATOM 0 HD11 LEU A 52 20.296 -7.468 8.772 1.00 62.24 H new ATOM 0 HD12 LEU A 52 18.801 -6.827 8.049 1.00 62.24 H new ATOM 0 HD13 LEU A 52 20.087 -7.477 7.004 1.00 62.24 H new ATOM 0 HD21 LEU A 52 22.412 -6.215 8.582 1.00 31.01 H new ATOM 0 HD22 LEU A 52 22.286 -6.174 6.807 1.00 31.01 H new ATOM 0 HD23 LEU A 52 22.463 -4.658 7.722 1.00 31.01 H new ATOM 899 N ALA A 53 20.945 -3.243 4.274 1.00 43.41 N ATOM 900 CA ALA A 53 20.884 -2.825 2.879 1.00 41.12 C ATOM 901 C ALA A 53 20.043 -3.792 2.053 1.00 63.35 C ATOM 902 O ALA A 53 19.631 -4.846 2.540 1.00 2.43 O ATOM 903 CB ALA A 53 22.286 -2.714 2.299 1.00 4.41 C ATOM 0 H ALA A 53 21.668 -3.934 4.476 1.00 43.41 H new ATOM 0 HA ALA A 53 20.408 -1.845 2.840 1.00 41.12 H new ATOM 0 HB1 ALA A 53 22.225 -2.401 1.257 1.00 4.41 H new ATOM 0 HB2 ALA A 53 22.857 -1.979 2.866 1.00 4.41 H new ATOM 0 HB3 ALA A 53 22.782 -3.683 2.358 1.00 4.41 H new ATOM 909 N LEU A 54 19.791 -3.429 0.800 1.00 44.50 N ATOM 910 CA LEU A 54 18.998 -4.265 -0.095 1.00 5.52 C ATOM 911 C LEU A 54 19.643 -5.635 -0.273 1.00 62.33 C ATOM 912 O LEU A 54 19.020 -6.664 -0.011 1.00 41.01 O ATOM 913 CB LEU A 54 18.839 -3.582 -1.455 1.00 21.35 C ATOM 914 CG LEU A 54 17.509 -3.816 -2.171 1.00 74.20 C ATOM 915 CD1 LEU A 54 17.701 -3.780 -3.679 1.00 60.02 C ATOM 916 CD2 LEU A 54 16.897 -5.142 -1.741 1.00 43.22 C ATOM 0 H LEU A 54 20.124 -2.561 0.381 1.00 44.50 H new ATOM 0 HA LEU A 54 18.014 -4.403 0.352 1.00 5.52 H new ATOM 0 HB2 LEU A 54 18.971 -2.509 -1.318 1.00 21.35 H new ATOM 0 HB3 LEU A 54 19.644 -3.922 -2.106 1.00 21.35 H new ATOM 0 HG LEU A 54 16.823 -3.015 -1.893 1.00 74.20 H new ATOM 0 HD11 LEU A 54 16.743 -3.949 -4.172 1.00 60.02 H new ATOM 0 HD12 LEU A 54 18.094 -2.807 -3.973 1.00 60.02 H new ATOM 0 HD13 LEU A 54 18.403 -4.559 -3.975 1.00 60.02 H new ATOM 0 HD21 LEU A 54 15.951 -5.292 -2.261 1.00 43.22 H new ATOM 0 HD22 LEU A 54 17.580 -5.955 -1.989 1.00 43.22 H new ATOM 0 HD23 LEU A 54 16.722 -5.130 -0.665 1.00 43.22 H new ATOM 928 N TRP A 55 20.894 -5.641 -0.719 1.00 23.04 N ATOM 929 CA TRP A 55 21.625 -6.886 -0.930 1.00 15.11 C ATOM 930 C TRP A 55 21.407 -7.848 0.232 1.00 20.53 C ATOM 931 O TRP A 55 21.258 -9.054 0.033 1.00 31.35 O ATOM 932 CB TRP A 55 23.118 -6.602 -1.101 1.00 32.41 C ATOM 933 CG TRP A 55 23.786 -6.152 0.163 1.00 34.52 C ATOM 934 CD1 TRP A 55 23.938 -4.866 0.596 1.00 21.45 C ATOM 935 CD2 TRP A 55 24.392 -6.987 1.156 1.00 64.03 C ATOM 936 NE1 TRP A 55 24.603 -4.851 1.799 1.00 63.13 N ATOM 937 CE2 TRP A 55 24.892 -6.139 2.164 1.00 62.43 C ATOM 938 CE3 TRP A 55 24.560 -8.368 1.292 1.00 4.52 C ATOM 939 CZ2 TRP A 55 25.548 -6.629 3.290 1.00 65.12 C ATOM 940 CZ3 TRP A 55 25.212 -8.852 2.410 1.00 2.13 C ATOM 941 CH2 TRP A 55 25.699 -7.985 3.398 1.00 41.14 C ATOM 0 H TRP A 55 21.424 -4.798 -0.942 1.00 23.04 H new ATOM 0 HA TRP A 55 21.245 -7.352 -1.839 1.00 15.11 H new ATOM 0 HB2 TRP A 55 23.613 -7.503 -1.464 1.00 32.41 H new ATOM 0 HB3 TRP A 55 23.250 -5.836 -1.865 1.00 32.41 H new ATOM 0 HD1 TRP A 55 23.587 -3.990 0.071 1.00 21.45 H new ATOM 0 HE1 TRP A 55 24.842 -4.016 2.333 1.00 63.13 H new ATOM 0 HE3 TRP A 55 24.187 -9.044 0.537 1.00 4.52 H new ATOM 0 HZ2 TRP A 55 25.925 -5.962 4.052 1.00 65.12 H new ATOM 0 HZ3 TRP A 55 25.349 -9.917 2.525 1.00 2.13 H new ATOM 0 HH2 TRP A 55 26.203 -8.395 4.261 1.00 41.14 H new ATOM 952 N LYS A 56 21.390 -7.309 1.446 1.00 33.05 N ATOM 953 CA LYS A 56 21.189 -8.120 2.642 1.00 53.34 C ATOM 954 C LYS A 56 19.758 -8.645 2.709 1.00 41.51 C ATOM 955 O LYS A 56 19.534 -9.837 2.919 1.00 14.41 O ATOM 956 CB LYS A 56 21.503 -7.302 3.896 1.00 12.24 C ATOM 957 CG LYS A 56 21.666 -8.147 5.148 1.00 1.30 C ATOM 958 CD LYS A 56 23.060 -8.744 5.240 1.00 61.25 C ATOM 959 CE LYS A 56 23.281 -9.442 6.573 1.00 41.02 C ATOM 960 NZ LYS A 56 24.702 -9.365 7.010 1.00 4.14 N ATOM 0 H LYS A 56 21.513 -6.313 1.628 1.00 33.05 H new ATOM 0 HA LYS A 56 21.868 -8.972 2.592 1.00 53.34 H new ATOM 0 HB2 LYS A 56 22.418 -6.734 3.729 1.00 12.24 H new ATOM 0 HB3 LYS A 56 20.704 -6.579 4.057 1.00 12.24 H new ATOM 0 HG2 LYS A 56 21.472 -7.535 6.029 1.00 1.30 H new ATOM 0 HG3 LYS A 56 20.926 -8.947 5.147 1.00 1.30 H new ATOM 0 HD2 LYS A 56 23.207 -9.455 4.427 1.00 61.25 H new ATOM 0 HD3 LYS A 56 23.803 -7.957 5.113 1.00 61.25 H new ATOM 0 HE2 LYS A 56 22.643 -8.988 7.331 1.00 41.02 H new ATOM 0 HE3 LYS A 56 22.983 -10.487 6.490 1.00 41.02 H new ATOM 0 HZ1 LYS A 56 24.812 -9.852 7.922 1.00 4.14 H new ATOM 0 HZ2 LYS A 56 25.309 -9.821 6.299 1.00 4.14 H new ATOM 0 HZ3 LYS A 56 24.980 -8.368 7.114 1.00 4.14 H new ATOM 974 N ARG A 57 18.794 -7.747 2.528 1.00 64.52 N ATOM 975 CA ARG A 57 17.386 -8.121 2.568 1.00 53.12 C ATOM 976 C ARG A 57 17.089 -9.231 1.564 1.00 31.43 C ATOM 977 O ARG A 57 16.304 -10.137 1.841 1.00 60.45 O ATOM 978 CB ARG A 57 16.505 -6.905 2.274 1.00 3.21 C ATOM 979 CG ARG A 57 16.902 -5.663 3.055 1.00 42.41 C ATOM 980 CD ARG A 57 15.699 -5.017 3.723 1.00 12.53 C ATOM 981 NE ARG A 57 14.579 -4.858 2.799 1.00 30.33 N ATOM 982 CZ ARG A 57 14.555 -3.960 1.821 1.00 72.22 C ATOM 983 NH1 ARG A 57 15.584 -3.144 1.640 1.00 62.43 N ATOM 984 NH2 ARG A 57 13.500 -3.877 1.021 1.00 75.13 N ATOM 0 H ARG A 57 18.963 -6.757 2.352 1.00 64.52 H new ATOM 0 HA ARG A 57 17.163 -8.490 3.569 1.00 53.12 H new ATOM 0 HB2 ARG A 57 16.550 -6.683 1.208 1.00 3.21 H new ATOM 0 HB3 ARG A 57 15.469 -7.153 2.504 1.00 3.21 H new ATOM 0 HG2 ARG A 57 17.641 -5.928 3.811 1.00 42.41 H new ATOM 0 HG3 ARG A 57 17.376 -4.946 2.384 1.00 42.41 H new ATOM 0 HD2 ARG A 57 15.385 -5.625 4.571 1.00 12.53 H new ATOM 0 HD3 ARG A 57 15.984 -4.042 4.118 1.00 12.53 H new ATOM 0 HE ARG A 57 13.771 -5.470 2.911 1.00 30.33 H new ATOM 0 HH11 ARG A 57 16.397 -3.205 2.253 1.00 62.43 H new ATOM 0 HH12 ARG A 57 15.563 -2.455 0.888 1.00 62.43 H new ATOM 0 HH21 ARG A 57 12.706 -4.503 1.157 1.00 75.13 H new ATOM 0 HH22 ARG A 57 13.482 -3.187 0.270 1.00 75.13 H new ATOM 998 N ASN A 58 17.722 -9.153 0.398 1.00 21.03 N ATOM 999 CA ASN A 58 17.525 -10.151 -0.647 1.00 1.30 C ATOM 1000 C ASN A 58 18.086 -11.504 -0.220 1.00 52.11 C ATOM 1001 O ASN A 58 17.392 -12.520 -0.274 1.00 45.24 O ATOM 1002 CB ASN A 58 18.192 -9.697 -1.947 1.00 5.43 C ATOM 1003 CG ASN A 58 17.279 -8.833 -2.795 1.00 34.31 C ATOM 1004 OD1 ASN A 58 16.103 -9.150 -2.981 1.00 5.24 O ATOM 1005 ND2 ASN A 58 17.816 -7.736 -3.315 1.00 3.14 N ATOM 0 H ASN A 58 18.376 -8.409 0.153 1.00 21.03 H new ATOM 0 HA ASN A 58 16.453 -10.259 -0.815 1.00 1.30 H new ATOM 0 HB2 ASN A 58 19.099 -9.140 -1.711 1.00 5.43 H new ATOM 0 HB3 ASN A 58 18.496 -10.572 -2.521 1.00 5.43 H new ATOM 0 HD21 ASN A 58 17.250 -7.117 -3.895 1.00 3.14 H new ATOM 0 HD22 ASN A 58 18.795 -7.512 -3.135 1.00 3.14 H new ATOM 1012 N ASP A 59 19.344 -11.509 0.205 1.00 44.02 N ATOM 1013 CA ASP A 59 19.999 -12.736 0.643 1.00 74.51 C ATOM 1014 C ASP A 59 19.184 -13.427 1.732 1.00 22.23 C ATOM 1015 O ASP A 59 18.868 -14.613 1.628 1.00 32.12 O ATOM 1016 CB ASP A 59 21.407 -12.434 1.156 1.00 1.34 C ATOM 1017 CG ASP A 59 22.172 -13.690 1.524 1.00 32.12 C ATOM 1018 OD1 ASP A 59 21.764 -14.784 1.081 1.00 52.44 O ATOM 1019 OD2 ASP A 59 23.178 -13.580 2.256 1.00 13.03 O ATOM 0 H ASP A 59 19.931 -10.677 0.256 1.00 44.02 H new ATOM 0 HA ASP A 59 20.070 -13.406 -0.214 1.00 74.51 H new ATOM 0 HB2 ASP A 59 21.959 -11.887 0.392 1.00 1.34 H new ATOM 0 HB3 ASP A 59 21.341 -11.784 2.028 1.00 1.34 H new ATOM 1024 N LEU A 60 18.849 -12.679 2.777 1.00 15.32 N ATOM 1025 CA LEU A 60 18.071 -13.219 3.887 1.00 4.13 C ATOM 1026 C LEU A 60 16.743 -13.787 3.397 1.00 43.50 C ATOM 1027 O LEU A 60 16.279 -14.819 3.882 1.00 5.43 O ATOM 1028 CB LEU A 60 17.819 -12.133 4.935 1.00 24.31 C ATOM 1029 CG LEU A 60 19.064 -11.479 5.536 1.00 12.13 C ATOM 1030 CD1 LEU A 60 18.770 -10.042 5.939 1.00 74.21 C ATOM 1031 CD2 LEU A 60 19.562 -12.278 6.731 1.00 22.24 C ATOM 0 H LEU A 60 19.104 -11.697 2.879 1.00 15.32 H new ATOM 0 HA LEU A 60 18.645 -14.027 4.341 1.00 4.13 H new ATOM 0 HB2 LEU A 60 17.207 -11.354 4.482 1.00 24.31 H new ATOM 0 HB3 LEU A 60 17.234 -12.567 5.746 1.00 24.31 H new ATOM 0 HG LEU A 60 19.848 -11.470 4.778 1.00 12.13 H new ATOM 0 HD11 LEU A 60 19.667 -9.593 6.365 1.00 74.21 H new ATOM 0 HD12 LEU A 60 18.461 -9.474 5.062 1.00 74.21 H new ATOM 0 HD13 LEU A 60 17.971 -10.028 6.680 1.00 74.21 H new ATOM 0 HD21 LEU A 60 20.448 -11.798 7.146 1.00 22.24 H new ATOM 0 HD22 LEU A 60 18.782 -12.319 7.491 1.00 22.24 H new ATOM 0 HD23 LEU A 60 19.813 -13.290 6.413 1.00 22.24 H new ATOM 1043 N LYS A 61 16.136 -13.107 2.430 1.00 2.32 N ATOM 1044 CA LYS A 61 14.863 -13.544 1.870 1.00 11.22 C ATOM 1045 C LYS A 61 14.974 -14.955 1.302 1.00 21.24 C ATOM 1046 O LYS A 61 14.206 -15.845 1.668 1.00 22.34 O ATOM 1047 CB LYS A 61 14.405 -12.577 0.776 1.00 73.11 C ATOM 1048 CG LYS A 61 13.483 -11.480 1.280 1.00 22.12 C ATOM 1049 CD LYS A 61 12.710 -10.835 0.143 1.00 51.44 C ATOM 1050 CE LYS A 61 13.477 -9.669 -0.462 1.00 1.53 C ATOM 1051 NZ LYS A 61 12.604 -8.810 -1.309 1.00 1.31 N ATOM 0 H LYS A 61 16.506 -12.250 2.018 1.00 2.32 H new ATOM 0 HA LYS A 61 14.125 -13.551 2.672 1.00 11.22 H new ATOM 0 HB2 LYS A 61 15.282 -12.120 0.316 1.00 73.11 H new ATOM 0 HB3 LYS A 61 13.893 -13.140 -0.004 1.00 73.11 H new ATOM 0 HG2 LYS A 61 12.784 -11.896 2.006 1.00 22.12 H new ATOM 0 HG3 LYS A 61 14.069 -10.721 1.799 1.00 22.12 H new ATOM 0 HD2 LYS A 61 12.508 -11.578 -0.628 1.00 51.44 H new ATOM 0 HD3 LYS A 61 11.745 -10.486 0.510 1.00 51.44 H new ATOM 0 HE2 LYS A 61 13.913 -9.068 0.336 1.00 1.53 H new ATOM 0 HE3 LYS A 61 14.303 -10.050 -1.062 1.00 1.53 H new ATOM 0 HZ1 LYS A 61 13.120 -8.531 -2.168 1.00 1.31 H new ATOM 0 HZ2 LYS A 61 11.749 -9.339 -1.575 1.00 1.31 H new ATOM 0 HZ3 LYS A 61 12.332 -7.959 -0.776 1.00 1.31 H new ATOM 1065 N LYS A 62 15.936 -15.154 0.407 1.00 14.31 N ATOM 1066 CA LYS A 62 16.150 -16.457 -0.210 1.00 31.42 C ATOM 1067 C LYS A 62 16.346 -17.536 0.851 1.00 10.31 C ATOM 1068 O LYS A 62 15.819 -18.642 0.732 1.00 53.11 O ATOM 1069 CB LYS A 62 17.367 -16.412 -1.137 1.00 13.01 C ATOM 1070 CG LYS A 62 17.217 -15.433 -2.289 1.00 24.32 C ATOM 1071 CD LYS A 62 18.430 -14.526 -2.410 1.00 63.15 C ATOM 1072 CE LYS A 62 18.235 -13.476 -3.493 1.00 55.11 C ATOM 1073 NZ LYS A 62 19.478 -12.693 -3.738 1.00 74.31 N ATOM 0 H LYS A 62 16.580 -14.428 0.093 1.00 14.31 H new ATOM 0 HA LYS A 62 15.264 -16.704 -0.795 1.00 31.42 H new ATOM 0 HB2 LYS A 62 18.248 -16.142 -0.554 1.00 13.01 H new ATOM 0 HB3 LYS A 62 17.544 -17.409 -1.539 1.00 13.01 H new ATOM 0 HG2 LYS A 62 17.078 -15.983 -3.220 1.00 24.32 H new ATOM 0 HG3 LYS A 62 16.323 -14.828 -2.140 1.00 24.32 H new ATOM 0 HD2 LYS A 62 18.615 -14.035 -1.455 1.00 63.15 H new ATOM 0 HD3 LYS A 62 19.312 -15.125 -2.637 1.00 63.15 H new ATOM 0 HE2 LYS A 62 17.924 -13.962 -4.418 1.00 55.11 H new ATOM 0 HE3 LYS A 62 17.431 -12.800 -3.202 1.00 55.11 H new ATOM 0 HZ1 LYS A 62 19.285 -11.944 -4.433 1.00 74.31 H new ATOM 0 HZ2 LYS A 62 19.799 -12.264 -2.847 1.00 74.31 H new ATOM 0 HZ3 LYS A 62 20.219 -13.324 -4.105 1.00 74.31 H new ATOM 1087 N LYS A 63 17.106 -17.206 1.890 1.00 64.13 N ATOM 1088 CA LYS A 63 17.370 -18.145 2.974 1.00 42.31 C ATOM 1089 C LYS A 63 16.085 -18.488 3.721 1.00 64.32 C ATOM 1090 O LYS A 63 15.926 -19.601 4.221 1.00 72.43 O ATOM 1091 CB LYS A 63 18.396 -17.558 3.946 1.00 43.22 C ATOM 1092 CG LYS A 63 19.832 -17.695 3.470 1.00 3.12 C ATOM 1093 CD LYS A 63 20.736 -16.661 4.121 1.00 62.22 C ATOM 1094 CE LYS A 63 20.770 -16.823 5.633 1.00 62.32 C ATOM 1095 NZ LYS A 63 21.633 -15.798 6.281 1.00 2.53 N ATOM 0 H LYS A 63 17.550 -16.295 2.004 1.00 64.13 H new ATOM 0 HA LYS A 63 17.772 -19.060 2.539 1.00 42.31 H new ATOM 0 HB2 LYS A 63 18.173 -16.503 4.103 1.00 43.22 H new ATOM 0 HB3 LYS A 63 18.293 -18.052 4.912 1.00 43.22 H new ATOM 0 HG2 LYS A 63 20.198 -18.696 3.699 1.00 3.12 H new ATOM 0 HG3 LYS A 63 19.870 -17.582 2.387 1.00 3.12 H new ATOM 0 HD2 LYS A 63 21.746 -16.756 3.721 1.00 62.22 H new ATOM 0 HD3 LYS A 63 20.386 -15.660 3.869 1.00 62.22 H new ATOM 0 HE2 LYS A 63 19.757 -16.748 6.029 1.00 62.32 H new ATOM 0 HE3 LYS A 63 21.137 -17.818 5.883 1.00 62.32 H new ATOM 0 HZ1 LYS A 63 21.630 -15.942 7.311 1.00 2.53 H new ATOM 0 HZ2 LYS A 63 22.605 -15.886 5.922 1.00 2.53 H new ATOM 0 HZ3 LYS A 63 21.268 -14.849 6.063 1.00 2.53 H new ATOM 1109 N ALA A 64 15.172 -17.526 3.791 1.00 13.32 N ATOM 1110 CA ALA A 64 13.900 -17.728 4.474 1.00 72.22 C ATOM 1111 C ALA A 64 12.902 -18.449 3.574 1.00 63.25 C ATOM 1112 O ALA A 64 11.736 -18.618 3.932 1.00 51.52 O ATOM 1113 CB ALA A 64 13.330 -16.395 4.934 1.00 0.35 C ATOM 0 H ALA A 64 15.289 -16.598 3.383 1.00 13.32 H new ATOM 0 HA ALA A 64 14.081 -18.354 5.348 1.00 72.22 H new ATOM 0 HB1 ALA A 64 12.380 -16.561 5.442 1.00 0.35 H new ATOM 0 HB2 ALA A 64 14.030 -15.917 5.620 1.00 0.35 H new ATOM 0 HB3 ALA A 64 13.171 -15.750 4.070 1.00 0.35 H new ATOM 1119 N LEU A 65 13.367 -18.873 2.403 1.00 3.44 N ATOM 1120 CA LEU A 65 12.515 -19.576 1.451 1.00 41.44 C ATOM 1121 C LEU A 65 11.482 -18.631 0.844 1.00 30.42 C ATOM 1122 O LEU A 65 10.343 -19.023 0.586 1.00 61.22 O ATOM 1123 CB LEU A 65 11.811 -20.749 2.135 1.00 41.32 C ATOM 1124 CG LEU A 65 12.661 -21.566 3.108 1.00 21.21 C ATOM 1125 CD1 LEU A 65 11.813 -22.622 3.800 1.00 62.41 C ATOM 1126 CD2 LEU A 65 13.832 -22.212 2.381 1.00 0.44 C ATOM 0 H LEU A 65 14.329 -18.742 2.091 1.00 3.44 H new ATOM 0 HA LEU A 65 13.147 -19.958 0.649 1.00 41.44 H new ATOM 0 HB2 LEU A 65 10.946 -20.363 2.675 1.00 41.32 H new ATOM 0 HB3 LEU A 65 11.432 -21.419 1.364 1.00 41.32 H new ATOM 0 HG LEU A 65 13.058 -20.893 3.868 1.00 21.21 H new ATOM 0 HD11 LEU A 65 12.435 -23.194 4.489 1.00 62.41 H new ATOM 0 HD12 LEU A 65 11.009 -22.137 4.354 1.00 62.41 H new ATOM 0 HD13 LEU A 65 11.387 -23.293 3.054 1.00 62.41 H new ATOM 0 HD21 LEU A 65 14.426 -22.790 3.089 1.00 0.44 H new ATOM 0 HD22 LEU A 65 13.456 -22.872 1.600 1.00 0.44 H new ATOM 0 HD23 LEU A 65 14.454 -21.437 1.933 1.00 0.44 H new ATOM 1138 N LEU A 66 11.887 -17.387 0.617 1.00 0.34 N ATOM 1139 CA LEU A 66 10.997 -16.386 0.039 1.00 62.15 C ATOM 1140 C LEU A 66 11.173 -16.311 -1.475 1.00 33.52 C ATOM 1141 O LEU A 66 10.232 -15.998 -2.205 1.00 20.32 O ATOM 1142 CB LEU A 66 11.264 -15.015 0.663 1.00 64.34 C ATOM 1143 CG LEU A 66 10.310 -14.588 1.778 1.00 11.01 C ATOM 1144 CD1 LEU A 66 10.996 -13.614 2.724 1.00 72.51 C ATOM 1145 CD2 LEU A 66 9.050 -13.968 1.193 1.00 55.40 C ATOM 0 H LEU A 66 12.826 -17.047 0.824 1.00 0.34 H new ATOM 0 HA LEU A 66 9.970 -16.682 0.254 1.00 62.15 H new ATOM 0 HB2 LEU A 66 12.279 -15.010 1.059 1.00 64.34 H new ATOM 0 HB3 LEU A 66 11.226 -14.265 -0.127 1.00 64.34 H new ATOM 0 HG LEU A 66 10.025 -15.474 2.346 1.00 11.01 H new ATOM 0 HD11 LEU A 66 10.301 -13.321 3.511 1.00 72.51 H new ATOM 0 HD12 LEU A 66 11.868 -14.093 3.169 1.00 72.51 H new ATOM 0 HD13 LEU A 66 11.311 -12.729 2.170 1.00 72.51 H new ATOM 0 HD21 LEU A 66 8.382 -13.670 2.001 1.00 55.40 H new ATOM 0 HD22 LEU A 66 9.316 -13.093 0.601 1.00 55.40 H new ATOM 0 HD23 LEU A 66 8.547 -14.697 0.557 1.00 55.40 H new ATOM 1157 N PHE A 67 12.383 -16.603 -1.940 1.00 32.30 N ATOM 1158 CA PHE A 67 12.682 -16.571 -3.367 1.00 13.41 C ATOM 1159 C PHE A 67 12.917 -17.979 -3.906 1.00 4.34 C ATOM 1160 O PHE A 67 13.730 -18.731 -3.369 1.00 40.21 O ATOM 1161 CB PHE A 67 13.911 -15.699 -3.632 1.00 53.43 C ATOM 1162 CG PHE A 67 13.660 -14.232 -3.429 1.00 51.33 C ATOM 1163 CD1 PHE A 67 12.373 -13.755 -3.236 1.00 62.54 C ATOM 1164 CD2 PHE A 67 14.711 -13.329 -3.432 1.00 50.20 C ATOM 1165 CE1 PHE A 67 12.139 -12.406 -3.049 1.00 31.21 C ATOM 1166 CE2 PHE A 67 14.483 -11.979 -3.245 1.00 11.43 C ATOM 1167 CZ PHE A 67 13.195 -11.517 -3.054 1.00 43.41 C ATOM 0 H PHE A 67 13.173 -16.864 -1.349 1.00 32.30 H new ATOM 0 HA PHE A 67 11.823 -16.143 -3.883 1.00 13.41 H new ATOM 0 HB2 PHE A 67 14.720 -16.016 -2.974 1.00 53.43 H new ATOM 0 HB3 PHE A 67 14.250 -15.863 -4.655 1.00 53.43 H new ATOM 0 HD1 PHE A 67 11.543 -14.446 -3.232 1.00 62.54 H new ATOM 0 HD2 PHE A 67 15.720 -13.684 -3.582 1.00 50.20 H new ATOM 0 HE1 PHE A 67 11.131 -12.048 -2.899 1.00 31.21 H new ATOM 0 HE2 PHE A 67 15.311 -11.286 -3.248 1.00 11.43 H new ATOM 0 HZ PHE A 67 13.015 -10.462 -2.909 1.00 43.41 H new TER 1177 PHE A 67