USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 61 GLN : amide:sc= -0.112 K(o=-0.25,f=-8.3!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 143:sc= -0.141 (180deg=0) USER MOD Set 2.1: A 33 HIS : no HD1:sc= 0.0111 K(o=-0.2,f=-0.95) USER MOD Set 2.2: A 37 ASN : amide:sc= -0.208 K(o=-0.2,f=-4.7!) USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= 0.22! (180deg=-0.413!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 15:sc= 0.859 USER MOD Single : A 7 TYR OH : rot 107:sc= 0.891 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -41:sc= 0.264 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -39:sc= 1.15 USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.03 (180deg=1.02) USER MOD Single : A 30 MET CE :methyl -167:sc= -0.048 (180deg=-0.304) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.17! C(o=-1.2!,f=-6.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= -0.0218 (180deg=-0.063) USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= -0.72 (180deg=-0.728) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.314 USER MOD Single : A 58 THR OG1 : rot 8:sc= 0.875 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.121 K(o=-0.12,f=0.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -0.647 15.267 -3.411 1.00 12.87 N ATOM 2 CA ALA A 2 -1.729 14.396 -3.894 1.00 13.14 C ATOM 3 C ALA A 2 -2.054 13.191 -3.001 1.00 11.83 C ATOM 4 O ALA A 2 -3.000 12.465 -3.313 1.00 12.64 O ATOM 5 CB ALA A 2 -1.504 13.974 -5.352 1.00 14.48 C ATOM 0 HA ALA A 2 -2.622 15.019 -3.841 1.00 13.14 H new ATOM 0 HB1 ALA A 2 -2.323 13.331 -5.675 1.00 14.48 H new ATOM 0 HB2 ALA A 2 -1.466 14.860 -5.986 1.00 14.48 H new ATOM 0 HB3 ALA A 2 -0.563 13.430 -5.432 1.00 14.48 H new ATOM 13 N LYS A 3 -1.333 12.954 -1.899 1.00 10.14 N ATOM 14 CA LYS A 3 -1.698 11.919 -0.940 1.00 9.11 C ATOM 15 C LYS A 3 -0.930 12.139 0.361 1.00 7.05 C ATOM 16 O LYS A 3 0.170 12.696 0.349 1.00 6.42 O ATOM 17 CB LYS A 3 -1.375 10.530 -1.518 1.00 9.62 C ATOM 18 CG LYS A 3 -2.089 9.331 -0.874 1.00 10.57 C ATOM 19 CD LYS A 3 -3.561 9.163 -1.296 1.00 12.17 C ATOM 20 CE LYS A 3 -4.572 9.844 -0.360 1.00 12.70 C ATOM 21 NZ LYS A 3 -5.925 9.278 -0.505 1.00 14.01 N ATOM 0 H LYS A 3 -0.489 13.472 -1.653 1.00 10.14 H new ATOM 0 HA LYS A 3 -2.768 11.973 -0.738 1.00 9.11 H new ATOM 0 HB2 LYS A 3 -1.617 10.539 -2.581 1.00 9.62 H new ATOM 0 HB3 LYS A 3 -0.300 10.369 -1.437 1.00 9.62 H new ATOM 0 HG2 LYS A 3 -1.545 8.421 -1.128 1.00 10.57 H new ATOM 0 HG3 LYS A 3 -2.045 9.437 0.210 1.00 10.57 H new ATOM 0 HD2 LYS A 3 -3.686 9.566 -2.301 1.00 12.17 H new ATOM 0 HD3 LYS A 3 -3.792 8.099 -1.348 1.00 12.17 H new ATOM 0 HE2 LYS A 3 -4.241 9.734 0.673 1.00 12.70 H new ATOM 0 HE3 LYS A 3 -4.601 10.913 -0.573 1.00 12.70 H new ATOM 0 HZ1 LYS A 3 -6.431 9.352 0.401 1.00 14.01 H new ATOM 0 HZ2 LYS A 3 -6.445 9.804 -1.236 1.00 14.01 H new ATOM 0 HZ3 LYS A 3 -5.855 8.278 -0.782 1.00 14.01 H new ATOM 35 N GLN A 4 -1.486 11.654 1.467 1.00 6.68 N ATOM 36 CA GLN A 4 -0.781 11.362 2.687 1.00 5.43 C ATOM 37 C GLN A 4 0.276 10.304 2.352 1.00 4.06 C ATOM 38 O GLN A 4 0.224 9.711 1.270 1.00 4.49 O ATOM 39 CB GLN A 4 -1.815 10.883 3.724 1.00 6.86 C ATOM 40 CG GLN A 4 -3.012 10.047 3.235 1.00 7.82 C ATOM 41 CD GLN A 4 -3.861 9.506 4.386 1.00 9.09 C ATOM 42 OE1 GLN A 4 -3.544 8.480 4.977 1.00 9.59 O ATOM 43 NE2 GLN A 4 -4.971 10.164 4.713 1.00 10.11 N ATOM 0 H GLN A 4 -2.483 11.449 1.529 1.00 6.68 H new ATOM 0 HA GLN A 4 -0.271 12.226 3.113 1.00 5.43 H new ATOM 0 HB2 GLN A 4 -1.285 10.296 4.474 1.00 6.86 H new ATOM 0 HB3 GLN A 4 -2.210 11.764 4.230 1.00 6.86 H new ATOM 0 HG2 GLN A 4 -3.636 10.659 2.584 1.00 7.82 H new ATOM 0 HG3 GLN A 4 -2.647 9.214 2.635 1.00 7.82 H new ATOM 0 HE21 GLN A 4 -5.224 11.017 4.214 1.00 10.11 H new ATOM 0 HE22 GLN A 4 -5.568 9.815 5.463 1.00 10.11 H new ATOM 52 N ASP A 5 1.269 10.096 3.218 1.00 3.00 N ATOM 53 CA ASP A 5 2.312 9.131 2.878 1.00 2.05 C ATOM 54 C ASP A 5 1.711 7.760 2.598 1.00 2.08 C ATOM 55 O ASP A 5 0.721 7.378 3.211 1.00 3.46 O ATOM 56 CB ASP A 5 3.441 9.012 3.900 1.00 2.70 C ATOM 57 CG ASP A 5 4.464 8.007 3.395 1.00 3.31 C ATOM 58 OD1 ASP A 5 4.807 8.060 2.191 1.00 3.50 O ATOM 59 OD2 ASP A 5 4.892 7.157 4.196 1.00 4.52 O ATOM 0 H ASP A 5 1.372 10.560 4.121 1.00 3.00 H new ATOM 0 HA ASP A 5 2.776 9.530 1.976 1.00 2.05 H new ATOM 0 HB2 ASP A 5 3.912 9.983 4.055 1.00 2.70 H new ATOM 0 HB3 ASP A 5 3.044 8.693 4.864 1.00 2.70 H new ATOM 64 N TYR A 6 2.325 7.063 1.655 1.00 1.00 N ATOM 65 CA TYR A 6 2.004 5.723 1.218 1.00 0.81 C ATOM 66 C TYR A 6 3.195 4.810 1.482 1.00 0.89 C ATOM 67 O TYR A 6 3.028 3.630 1.788 1.00 1.25 O ATOM 68 CB TYR A 6 1.675 5.764 -0.280 1.00 0.88 C ATOM 69 CG TYR A 6 2.577 6.642 -1.137 1.00 2.46 C ATOM 70 CD1 TYR A 6 3.735 6.118 -1.745 1.00 4.45 C ATOM 71 CD2 TYR A 6 2.160 7.943 -1.464 1.00 2.93 C ATOM 72 CE1 TYR A 6 4.394 6.844 -2.754 1.00 6.25 C ATOM 73 CE2 TYR A 6 2.870 8.696 -2.413 1.00 4.64 C ATOM 74 CZ TYR A 6 3.990 8.153 -3.063 1.00 6.19 C ATOM 75 OH TYR A 6 4.662 8.906 -3.983 1.00 8.00 O ATOM 0 H TYR A 6 3.116 7.451 1.142 1.00 1.00 H new ATOM 0 HA TYR A 6 1.143 5.336 1.764 1.00 0.81 H new ATOM 0 HB2 TYR A 6 1.716 4.747 -0.669 1.00 0.88 H new ATOM 0 HB3 TYR A 6 0.648 6.109 -0.397 1.00 0.88 H new ATOM 0 HD1 TYR A 6 4.118 5.157 -1.436 1.00 4.45 H new ATOM 0 HD2 TYR A 6 1.290 8.366 -0.984 1.00 2.93 H new ATOM 0 HE1 TYR A 6 5.214 6.393 -3.293 1.00 6.25 H new ATOM 0 HE2 TYR A 6 2.552 9.702 -2.645 1.00 4.64 H new ATOM 0 HH TYR A 6 5.250 8.328 -4.512 1.00 8.00 H new ATOM 85 N TYR A 7 4.412 5.332 1.327 1.00 0.94 N ATOM 86 CA TYR A 7 5.576 4.479 1.260 1.00 1.00 C ATOM 87 C TYR A 7 5.775 3.749 2.581 1.00 0.93 C ATOM 88 O TYR A 7 6.153 2.581 2.565 1.00 1.01 O ATOM 89 CB TYR A 7 6.829 5.293 0.949 1.00 1.23 C ATOM 90 CG TYR A 7 6.948 5.769 -0.482 1.00 1.50 C ATOM 91 CD1 TYR A 7 7.291 4.841 -1.482 1.00 2.31 C ATOM 92 CD2 TYR A 7 6.940 7.145 -0.777 1.00 2.73 C ATOM 93 CE1 TYR A 7 7.730 5.292 -2.736 1.00 3.34 C ATOM 94 CE2 TYR A 7 7.383 7.596 -2.033 1.00 3.43 C ATOM 95 CZ TYR A 7 7.807 6.668 -2.998 1.00 3.52 C ATOM 96 OH TYR A 7 8.218 7.078 -4.223 1.00 4.63 O ATOM 0 H TYR A 7 4.606 6.330 1.247 1.00 0.94 H new ATOM 0 HA TYR A 7 5.412 3.755 0.462 1.00 1.00 H new ATOM 0 HB2 TYR A 7 6.851 6.162 1.607 1.00 1.23 H new ATOM 0 HB3 TYR A 7 7.704 4.689 1.188 1.00 1.23 H new ATOM 0 HD1 TYR A 7 7.216 3.782 -1.285 1.00 2.31 H new ATOM 0 HD2 TYR A 7 6.594 7.854 -0.039 1.00 2.73 H new ATOM 0 HE1 TYR A 7 8.008 4.580 -3.499 1.00 3.34 H new ATOM 0 HE2 TYR A 7 7.397 8.653 -2.255 1.00 3.43 H new ATOM 0 HH TYR A 7 7.451 7.419 -4.728 1.00 4.63 H new ATOM 106 N GLU A 8 5.562 4.412 3.722 1.00 0.95 N ATOM 107 CA GLU A 8 5.797 3.806 5.004 1.00 0.97 C ATOM 108 C GLU A 8 4.604 2.941 5.386 1.00 0.87 C ATOM 109 O GLU A 8 4.766 1.922 6.053 1.00 0.89 O ATOM 110 CB GLU A 8 6.095 4.900 6.033 1.00 1.16 C ATOM 111 CG GLU A 8 7.435 4.606 6.685 1.00 1.39 C ATOM 112 CD GLU A 8 7.731 5.517 7.852 1.00 2.05 C ATOM 113 OE1 GLU A 8 6.831 6.282 8.255 1.00 3.38 O ATOM 114 OE2 GLU A 8 8.864 5.403 8.368 1.00 2.53 O ATOM 0 H GLU A 8 5.225 5.374 3.767 1.00 0.95 H new ATOM 0 HA GLU A 8 6.667 3.150 4.968 1.00 0.97 H new ATOM 0 HB2 GLU A 8 6.116 5.877 5.550 1.00 1.16 H new ATOM 0 HB3 GLU A 8 5.308 4.934 6.786 1.00 1.16 H new ATOM 0 HG2 GLU A 8 7.449 3.571 7.026 1.00 1.39 H new ATOM 0 HG3 GLU A 8 8.226 4.707 5.941 1.00 1.39 H new ATOM 121 N ILE A 9 3.408 3.341 4.958 1.00 0.85 N ATOM 122 CA ILE A 9 2.206 2.552 5.112 1.00 0.81 C ATOM 123 C ILE A 9 2.432 1.163 4.516 1.00 0.84 C ATOM 124 O ILE A 9 2.067 0.173 5.151 1.00 1.01 O ATOM 125 CB ILE A 9 0.993 3.283 4.509 1.00 0.84 C ATOM 126 CG1 ILE A 9 0.821 4.617 5.255 1.00 1.02 C ATOM 127 CG2 ILE A 9 -0.278 2.426 4.598 1.00 0.89 C ATOM 128 CD1 ILE A 9 -0.486 5.318 4.904 1.00 1.11 C ATOM 0 H ILE A 9 3.254 4.234 4.490 1.00 0.85 H new ATOM 0 HA ILE A 9 1.978 2.419 6.170 1.00 0.81 H new ATOM 0 HB ILE A 9 1.165 3.471 3.449 1.00 0.84 H new ATOM 0 HG12 ILE A 9 0.855 4.436 6.329 1.00 1.02 H new ATOM 0 HG13 ILE A 9 1.657 5.274 5.016 1.00 1.02 H new ATOM 0 HG21 ILE A 9 -1.116 2.971 4.164 1.00 0.89 H new ATOM 0 HG22 ILE A 9 -0.128 1.495 4.051 1.00 0.89 H new ATOM 0 HG23 ILE A 9 -0.493 2.202 5.643 1.00 0.89 H new ATOM 0 HD11 ILE A 9 -0.557 6.254 5.458 1.00 1.11 H new ATOM 0 HD12 ILE A 9 -0.511 5.526 3.834 1.00 1.11 H new ATOM 0 HD13 ILE A 9 -1.326 4.675 5.168 1.00 1.11 H new ATOM 140 N LEU A 10 3.029 1.093 3.320 1.00 0.87 N ATOM 141 CA LEU A 10 3.388 -0.175 2.703 1.00 1.09 C ATOM 142 C LEU A 10 4.651 -0.761 3.349 1.00 1.15 C ATOM 143 O LEU A 10 4.748 -1.966 3.568 1.00 1.42 O ATOM 144 CB LEU A 10 3.533 -0.012 1.187 1.00 1.38 C ATOM 145 CG LEU A 10 2.167 -0.118 0.486 1.00 1.16 C ATOM 146 CD1 LEU A 10 1.357 1.174 0.540 1.00 2.44 C ATOM 147 CD2 LEU A 10 2.373 -0.472 -0.978 1.00 2.02 C ATOM 0 H LEU A 10 3.272 1.911 2.762 1.00 0.87 H new ATOM 0 HA LEU A 10 2.584 -0.890 2.877 1.00 1.09 H new ATOM 0 HB2 LEU A 10 3.986 0.954 0.964 1.00 1.38 H new ATOM 0 HB3 LEU A 10 4.205 -0.777 0.798 1.00 1.38 H new ATOM 0 HG LEU A 10 1.611 -0.889 1.019 1.00 1.16 H new ATOM 0 HD11 LEU A 10 0.406 1.029 0.027 1.00 2.44 H new ATOM 0 HD12 LEU A 10 1.171 1.444 1.580 1.00 2.44 H new ATOM 0 HD13 LEU A 10 1.914 1.973 0.052 1.00 2.44 H new ATOM 0 HD21 LEU A 10 1.405 -0.547 -1.474 1.00 2.02 H new ATOM 0 HD22 LEU A 10 2.968 0.304 -1.460 1.00 2.02 H new ATOM 0 HD23 LEU A 10 2.893 -1.427 -1.052 1.00 2.02 H new ATOM 159 N GLY A 11 5.640 0.074 3.646 1.00 1.07 N ATOM 160 CA GLY A 11 6.831 -0.346 4.354 1.00 1.16 C ATOM 161 C GLY A 11 7.776 -0.896 3.305 1.00 1.20 C ATOM 162 O GLY A 11 7.835 -2.105 3.066 1.00 1.47 O ATOM 0 H GLY A 11 5.633 1.064 3.399 1.00 1.07 H new ATOM 0 HA2 GLY A 11 7.284 0.492 4.885 1.00 1.16 H new ATOM 0 HA3 GLY A 11 6.593 -1.105 5.100 1.00 1.16 H new ATOM 166 N VAL A 12 8.452 0.001 2.600 1.00 1.11 N ATOM 167 CA VAL A 12 9.228 -0.353 1.433 1.00 1.13 C ATOM 168 C VAL A 12 10.188 0.786 1.129 1.00 1.24 C ATOM 169 O VAL A 12 9.935 1.933 1.501 1.00 1.44 O ATOM 170 CB VAL A 12 8.262 -0.668 0.284 1.00 1.10 C ATOM 171 CG1 VAL A 12 7.300 0.478 -0.031 1.00 1.13 C ATOM 172 CG2 VAL A 12 8.974 -1.095 -0.988 1.00 1.31 C ATOM 0 H VAL A 12 8.474 0.995 2.827 1.00 1.11 H new ATOM 0 HA VAL A 12 9.833 -1.245 1.593 1.00 1.13 H new ATOM 0 HB VAL A 12 7.675 -1.510 0.652 1.00 1.10 H new ATOM 0 HG11 VAL A 12 6.645 0.188 -0.853 1.00 1.13 H new ATOM 0 HG12 VAL A 12 6.699 0.701 0.850 1.00 1.13 H new ATOM 0 HG13 VAL A 12 7.869 1.363 -0.315 1.00 1.13 H new ATOM 0 HG21 VAL A 12 8.238 -1.304 -1.764 1.00 1.31 H new ATOM 0 HG22 VAL A 12 9.635 -0.295 -1.321 1.00 1.31 H new ATOM 0 HG23 VAL A 12 9.561 -1.993 -0.793 1.00 1.31 H new ATOM 182 N SER A 13 11.307 0.465 0.487 1.00 1.22 N ATOM 183 CA SER A 13 12.270 1.470 0.070 1.00 1.49 C ATOM 184 C SER A 13 11.573 2.411 -0.915 1.00 1.71 C ATOM 185 O SER A 13 10.808 1.955 -1.764 1.00 1.99 O ATOM 186 CB SER A 13 13.499 0.792 -0.549 1.00 1.57 C ATOM 187 OG SER A 13 14.604 1.674 -0.541 1.00 2.16 O ATOM 0 H SER A 13 11.567 -0.491 0.244 1.00 1.22 H new ATOM 0 HA SER A 13 12.625 2.051 0.921 1.00 1.49 H new ATOM 0 HB2 SER A 13 13.743 -0.112 0.009 1.00 1.57 H new ATOM 0 HB3 SER A 13 13.277 0.486 -1.571 1.00 1.57 H new ATOM 0 HG SER A 13 15.381 1.228 -0.937 1.00 2.16 H new ATOM 193 N LYS A 14 11.823 3.718 -0.822 1.00 1.92 N ATOM 194 CA LYS A 14 11.048 4.699 -1.575 1.00 2.29 C ATOM 195 C LYS A 14 11.346 4.685 -3.082 1.00 2.50 C ATOM 196 O LYS A 14 10.774 5.475 -3.829 1.00 3.33 O ATOM 197 CB LYS A 14 11.180 6.092 -0.940 1.00 2.50 C ATOM 198 CG LYS A 14 10.543 6.070 0.456 1.00 3.24 C ATOM 199 CD LYS A 14 10.696 7.378 1.232 1.00 4.10 C ATOM 200 CE LYS A 14 10.140 8.614 0.509 1.00 5.51 C ATOM 201 NZ LYS A 14 9.643 9.603 1.483 1.00 6.59 N ATOM 0 H LYS A 14 12.554 4.118 -0.234 1.00 1.92 H new ATOM 0 HA LYS A 14 10.000 4.408 -1.508 1.00 2.29 H new ATOM 0 HB2 LYS A 14 12.230 6.375 -0.870 1.00 2.50 H new ATOM 0 HB3 LYS A 14 10.690 6.838 -1.565 1.00 2.50 H new ATOM 0 HG2 LYS A 14 9.482 5.841 0.356 1.00 3.24 H new ATOM 0 HG3 LYS A 14 10.990 5.262 1.035 1.00 3.24 H new ATOM 0 HD2 LYS A 14 10.192 7.277 2.193 1.00 4.10 H new ATOM 0 HD3 LYS A 14 11.753 7.540 1.442 1.00 4.10 H new ATOM 0 HE2 LYS A 14 10.919 9.062 -0.108 1.00 5.51 H new ATOM 0 HE3 LYS A 14 9.333 8.318 -0.161 1.00 5.51 H new ATOM 0 HZ1 LYS A 14 9.271 10.432 0.977 1.00 6.59 H new ATOM 0 HZ2 LYS A 14 8.885 9.177 2.054 1.00 6.59 H new ATOM 0 HZ3 LYS A 14 10.422 9.899 2.106 1.00 6.59 H new ATOM 215 N THR A 15 12.188 3.761 -3.544 1.00 2.31 N ATOM 216 CA THR A 15 12.478 3.541 -4.948 1.00 2.91 C ATOM 217 C THR A 15 11.978 2.165 -5.414 1.00 2.47 C ATOM 218 O THR A 15 12.634 1.478 -6.198 1.00 2.94 O ATOM 219 CB THR A 15 13.906 3.948 -5.265 1.00 3.69 C ATOM 220 OG1 THR A 15 14.226 3.840 -6.635 1.00 4.07 O ATOM 221 CG2 THR A 15 14.811 3.083 -4.451 1.00 5.59 C ATOM 0 H THR A 15 12.699 3.129 -2.927 1.00 2.31 H new ATOM 0 HA THR A 15 11.897 4.207 -5.586 1.00 2.91 H new ATOM 0 HB THR A 15 14.029 5.002 -5.017 1.00 3.69 H new ATOM 0 HG1 THR A 15 13.838 3.016 -6.998 1.00 4.07 H new ATOM 0 HG21 THR A 15 15.848 3.349 -4.654 1.00 5.59 H new ATOM 0 HG22 THR A 15 14.600 3.230 -3.392 1.00 5.59 H new ATOM 0 HG23 THR A 15 14.647 2.037 -4.712 1.00 5.59 H new ATOM 229 N ALA A 16 10.822 1.730 -4.908 1.00 1.91 N ATOM 230 CA ALA A 16 10.137 0.531 -5.336 1.00 1.82 C ATOM 231 C ALA A 16 9.082 0.862 -6.391 1.00 1.70 C ATOM 232 O ALA A 16 8.259 1.754 -6.177 1.00 1.49 O ATOM 233 CB ALA A 16 9.505 -0.157 -4.130 1.00 1.68 C ATOM 0 H ALA A 16 10.329 2.226 -4.165 1.00 1.91 H new ATOM 0 HA ALA A 16 10.858 -0.149 -5.789 1.00 1.82 H new ATOM 0 HB1 ALA A 16 8.989 -1.060 -4.455 1.00 1.68 H new ATOM 0 HB2 ALA A 16 10.282 -0.421 -3.413 1.00 1.68 H new ATOM 0 HB3 ALA A 16 8.791 0.518 -3.659 1.00 1.68 H new ATOM 239 N GLU A 17 9.091 0.144 -7.517 1.00 2.11 N ATOM 240 CA GLU A 17 7.972 0.102 -8.444 1.00 2.33 C ATOM 241 C GLU A 17 6.902 -0.857 -7.906 1.00 2.01 C ATOM 242 O GLU A 17 7.166 -1.654 -7.003 1.00 1.74 O ATOM 243 CB GLU A 17 8.458 -0.365 -9.829 1.00 3.05 C ATOM 244 CG GLU A 17 7.973 0.594 -10.922 1.00 3.49 C ATOM 245 CD GLU A 17 8.177 0.047 -12.317 1.00 3.94 C ATOM 246 OE1 GLU A 17 9.086 -0.784 -12.509 1.00 3.71 O ATOM 247 OE2 GLU A 17 7.397 0.422 -13.218 1.00 5.10 O ATOM 0 H GLU A 17 9.885 -0.427 -7.808 1.00 2.11 H new ATOM 0 HA GLU A 17 7.542 1.099 -8.543 1.00 2.33 H new ATOM 0 HB2 GLU A 17 9.547 -0.417 -9.840 1.00 3.05 H new ATOM 0 HB3 GLU A 17 8.089 -1.371 -10.030 1.00 3.05 H new ATOM 0 HG2 GLU A 17 6.914 0.804 -10.771 1.00 3.49 H new ATOM 0 HG3 GLU A 17 8.503 1.542 -10.828 1.00 3.49 H new ATOM 254 N GLU A 18 5.732 -0.833 -8.539 1.00 2.12 N ATOM 255 CA GLU A 18 4.513 -1.501 -8.090 1.00 2.00 C ATOM 256 C GLU A 18 4.724 -2.991 -7.828 1.00 1.91 C ATOM 257 O GLU A 18 4.142 -3.582 -6.921 1.00 1.74 O ATOM 258 CB GLU A 18 3.405 -1.307 -9.116 1.00 2.30 C ATOM 259 CG GLU A 18 3.330 0.162 -9.562 1.00 2.39 C ATOM 260 CD GLU A 18 3.618 1.165 -8.456 1.00 3.53 C ATOM 261 OE1 GLU A 18 2.921 1.088 -7.429 1.00 4.58 O ATOM 262 OE2 GLU A 18 4.606 1.919 -8.603 1.00 4.45 O ATOM 0 H GLU A 18 5.602 -0.327 -9.415 1.00 2.12 H new ATOM 0 HA GLU A 18 4.227 -1.044 -7.143 1.00 2.00 H new ATOM 0 HB2 GLU A 18 3.587 -1.946 -9.980 1.00 2.30 H new ATOM 0 HB3 GLU A 18 2.450 -1.612 -8.689 1.00 2.30 H new ATOM 0 HG2 GLU A 18 4.040 0.320 -10.374 1.00 2.39 H new ATOM 0 HG3 GLU A 18 2.336 0.357 -9.965 1.00 2.39 H new ATOM 269 N ARG A 19 5.572 -3.604 -8.642 1.00 2.07 N ATOM 270 CA ARG A 19 5.935 -4.996 -8.517 1.00 2.03 C ATOM 271 C ARG A 19 6.532 -5.297 -7.137 1.00 1.65 C ATOM 272 O ARG A 19 6.104 -6.241 -6.472 1.00 1.60 O ATOM 273 CB ARG A 19 6.911 -5.306 -9.648 1.00 2.40 C ATOM 274 CG ARG A 19 7.471 -6.718 -9.524 1.00 2.11 C ATOM 275 CD ARG A 19 8.117 -7.189 -10.826 1.00 2.48 C ATOM 276 NE ARG A 19 8.858 -6.127 -11.536 1.00 2.92 N ATOM 277 CZ ARG A 19 9.993 -6.304 -12.227 1.00 3.49 C ATOM 278 NH1 ARG A 19 10.487 -7.525 -12.385 1.00 3.56 N ATOM 279 NH2 ARG A 19 10.618 -5.250 -12.741 1.00 4.75 N ATOM 0 H ARG A 19 6.032 -3.133 -9.421 1.00 2.07 H new ATOM 0 HA ARG A 19 5.055 -5.635 -8.599 1.00 2.03 H new ATOM 0 HB2 ARG A 19 6.406 -5.196 -10.608 1.00 2.40 H new ATOM 0 HB3 ARG A 19 7.729 -4.585 -9.633 1.00 2.40 H new ATOM 0 HG2 ARG A 19 8.208 -6.748 -8.721 1.00 2.11 H new ATOM 0 HG3 ARG A 19 6.670 -7.404 -9.247 1.00 2.11 H new ATOM 0 HD2 ARG A 19 8.798 -8.012 -10.607 1.00 2.48 H new ATOM 0 HD3 ARG A 19 7.343 -7.583 -11.484 1.00 2.48 H new ATOM 0 HE ARG A 19 8.475 -5.182 -11.497 1.00 2.92 H new ATOM 0 HH11 ARG A 19 10.003 -8.327 -11.981 1.00 3.56 H new ATOM 0 HH12 ARG A 19 11.350 -7.662 -12.910 1.00 3.56 H new ATOM 0 HH21 ARG A 19 10.234 -4.315 -12.608 1.00 4.75 H new ATOM 0 HH22 ARG A 19 11.482 -5.376 -13.268 1.00 4.75 H new ATOM 293 N GLU A 20 7.542 -4.528 -6.728 1.00 1.51 N ATOM 294 CA GLU A 20 8.220 -4.706 -5.450 1.00 1.28 C ATOM 295 C GLU A 20 7.318 -4.179 -4.334 1.00 0.89 C ATOM 296 O GLU A 20 7.229 -4.753 -3.252 1.00 0.74 O ATOM 297 CB GLU A 20 9.572 -3.982 -5.504 1.00 1.64 C ATOM 298 CG GLU A 20 10.407 -4.118 -4.222 1.00 1.68 C ATOM 299 CD GLU A 20 10.758 -5.554 -3.887 1.00 2.67 C ATOM 300 OE1 GLU A 20 10.811 -6.378 -4.824 1.00 4.49 O ATOM 301 OE2 GLU A 20 11.079 -5.807 -2.708 1.00 2.80 O ATOM 0 H GLU A 20 7.914 -3.757 -7.283 1.00 1.51 H new ATOM 0 HA GLU A 20 8.415 -5.759 -5.246 1.00 1.28 H new ATOM 0 HB2 GLU A 20 10.148 -4.372 -6.343 1.00 1.64 H new ATOM 0 HB3 GLU A 20 9.398 -2.924 -5.701 1.00 1.64 H new ATOM 0 HG2 GLU A 20 11.326 -3.542 -4.332 1.00 1.68 H new ATOM 0 HG3 GLU A 20 9.856 -3.682 -3.389 1.00 1.68 H new ATOM 308 N ILE A 21 6.563 -3.126 -4.628 1.00 0.84 N ATOM 309 CA ILE A 21 5.545 -2.599 -3.736 1.00 0.66 C ATOM 310 C ILE A 21 4.599 -3.738 -3.350 1.00 0.70 C ATOM 311 O ILE A 21 4.213 -3.870 -2.189 1.00 0.84 O ATOM 312 CB ILE A 21 4.830 -1.484 -4.514 1.00 0.73 C ATOM 313 CG1 ILE A 21 5.575 -0.153 -4.423 1.00 0.81 C ATOM 314 CG2 ILE A 21 3.331 -1.343 -4.271 1.00 0.80 C ATOM 315 CD1 ILE A 21 5.187 0.553 -3.134 1.00 0.98 C ATOM 0 H ILE A 21 6.644 -2.610 -5.504 1.00 0.84 H new ATOM 0 HA ILE A 21 5.953 -2.193 -2.811 1.00 0.66 H new ATOM 0 HB ILE A 21 4.873 -1.823 -5.549 1.00 0.73 H new ATOM 0 HG12 ILE A 21 6.651 -0.323 -4.448 1.00 0.81 H new ATOM 0 HG13 ILE A 21 5.331 0.473 -5.281 1.00 0.81 H new ATOM 0 HG21 ILE A 21 2.940 -0.524 -4.875 1.00 0.80 H new ATOM 0 HG22 ILE A 21 2.829 -2.270 -4.548 1.00 0.80 H new ATOM 0 HG23 ILE A 21 3.151 -1.134 -3.216 1.00 0.80 H new ATOM 0 HD11 ILE A 21 5.717 1.503 -3.066 1.00 0.98 H new ATOM 0 HD12 ILE A 21 4.112 0.736 -3.128 1.00 0.98 H new ATOM 0 HD13 ILE A 21 5.453 -0.073 -2.282 1.00 0.98 H new ATOM 327 N ARG A 22 4.259 -4.603 -4.299 1.00 0.89 N ATOM 328 CA ARG A 22 3.374 -5.721 -4.045 1.00 1.19 C ATOM 329 C ARG A 22 3.992 -6.708 -3.050 1.00 0.97 C ATOM 330 O ARG A 22 3.259 -7.378 -2.328 1.00 1.04 O ATOM 331 CB ARG A 22 2.995 -6.397 -5.367 1.00 1.65 C ATOM 332 CG ARG A 22 1.473 -6.411 -5.499 1.00 2.24 C ATOM 333 CD ARG A 22 1.083 -6.766 -6.931 1.00 2.05 C ATOM 334 NE ARG A 22 -0.331 -6.469 -7.191 1.00 2.55 N ATOM 335 CZ ARG A 22 -1.374 -7.269 -6.931 1.00 3.59 C ATOM 336 NH1 ARG A 22 -1.245 -8.363 -6.185 1.00 4.95 N ATOM 337 NH2 ARG A 22 -2.583 -6.985 -7.407 1.00 3.97 N ATOM 0 H ARG A 22 4.591 -4.545 -5.262 1.00 0.89 H new ATOM 0 HA ARG A 22 2.460 -5.348 -3.582 1.00 1.19 H new ATOM 0 HB2 ARG A 22 3.441 -5.862 -6.205 1.00 1.65 H new ATOM 0 HB3 ARG A 22 3.385 -7.414 -5.395 1.00 1.65 H new ATOM 0 HG2 ARG A 22 1.045 -7.135 -4.805 1.00 2.24 H new ATOM 0 HG3 ARG A 22 1.066 -5.435 -5.233 1.00 2.24 H new ATOM 0 HD2 ARG A 22 1.708 -6.208 -7.629 1.00 2.05 H new ATOM 0 HD3 ARG A 22 1.273 -7.824 -7.110 1.00 2.05 H new ATOM 0 HE ARG A 22 -0.540 -5.564 -7.611 1.00 2.55 H new ATOM 0 HH11 ARG A 22 -0.335 -8.610 -5.795 1.00 4.95 H new ATOM 0 HH12 ARG A 22 -2.056 -8.954 -6.003 1.00 4.95 H new ATOM 0 HH21 ARG A 22 -2.724 -6.151 -7.977 1.00 3.97 H new ATOM 0 HH22 ARG A 22 -3.369 -7.602 -7.202 1.00 3.97 H new ATOM 351 N LYS A 23 5.322 -6.809 -2.984 1.00 0.82 N ATOM 352 CA LYS A 23 6.010 -7.591 -1.984 1.00 0.73 C ATOM 353 C LYS A 23 5.730 -7.020 -0.592 1.00 0.76 C ATOM 354 O LYS A 23 5.361 -7.760 0.324 1.00 0.92 O ATOM 355 CB LYS A 23 7.514 -7.697 -2.291 1.00 0.65 C ATOM 356 CG LYS A 23 7.813 -8.219 -3.704 1.00 1.29 C ATOM 357 CD LYS A 23 7.225 -9.616 -3.913 1.00 1.25 C ATOM 358 CE LYS A 23 7.690 -10.235 -5.233 1.00 1.63 C ATOM 359 NZ LYS A 23 6.983 -11.498 -5.505 1.00 3.19 N ATOM 0 H LYS A 23 5.949 -6.339 -3.637 1.00 0.82 H new ATOM 0 HA LYS A 23 5.626 -8.611 -2.005 1.00 0.73 H new ATOM 0 HB2 LYS A 23 7.972 -6.715 -2.170 1.00 0.65 H new ATOM 0 HB3 LYS A 23 7.980 -8.359 -1.561 1.00 0.65 H new ATOM 0 HG2 LYS A 23 7.399 -7.533 -4.443 1.00 1.29 H new ATOM 0 HG3 LYS A 23 8.891 -8.247 -3.864 1.00 1.29 H new ATOM 0 HD2 LYS A 23 7.518 -10.262 -3.085 1.00 1.25 H new ATOM 0 HD3 LYS A 23 6.137 -9.558 -3.902 1.00 1.25 H new ATOM 0 HE2 LYS A 23 7.515 -9.534 -6.049 1.00 1.63 H new ATOM 0 HE3 LYS A 23 8.764 -10.417 -5.194 1.00 1.63 H new ATOM 0 HZ1 LYS A 23 7.317 -11.896 -6.406 1.00 3.19 H new ATOM 0 HZ2 LYS A 23 7.171 -12.173 -4.737 1.00 3.19 H new ATOM 0 HZ3 LYS A 23 5.961 -11.318 -5.565 1.00 3.19 H new ATOM 373 N ALA A 24 5.860 -5.698 -0.450 1.00 0.69 N ATOM 374 CA ALA A 24 5.475 -4.997 0.767 1.00 0.74 C ATOM 375 C ALA A 24 4.022 -5.320 1.107 1.00 0.74 C ATOM 376 O ALA A 24 3.706 -5.738 2.221 1.00 0.87 O ATOM 377 CB ALA A 24 5.670 -3.491 0.579 1.00 0.74 C ATOM 0 H ALA A 24 6.235 -5.089 -1.177 1.00 0.69 H new ATOM 0 HA ALA A 24 6.104 -5.325 1.594 1.00 0.74 H new ATOM 0 HB1 ALA A 24 5.381 -2.970 1.492 1.00 0.74 H new ATOM 0 HB2 ALA A 24 6.717 -3.284 0.359 1.00 0.74 H new ATOM 0 HB3 ALA A 24 5.051 -3.144 -0.248 1.00 0.74 H new ATOM 383 N TYR A 25 3.140 -5.173 0.119 1.00 0.66 N ATOM 384 CA TYR A 25 1.730 -5.484 0.282 1.00 0.73 C ATOM 385 C TYR A 25 1.557 -6.917 0.800 1.00 0.89 C ATOM 386 O TYR A 25 0.806 -7.149 1.741 1.00 0.95 O ATOM 387 CB TYR A 25 0.977 -5.255 -1.037 1.00 0.78 C ATOM 388 CG TYR A 25 -0.481 -4.882 -0.849 1.00 1.23 C ATOM 389 CD1 TYR A 25 -1.360 -5.750 -0.176 1.00 2.20 C ATOM 390 CD2 TYR A 25 -0.927 -3.604 -1.230 1.00 2.37 C ATOM 391 CE1 TYR A 25 -2.637 -5.306 0.201 1.00 2.79 C ATOM 392 CE2 TYR A 25 -2.240 -3.203 -0.935 1.00 3.13 C ATOM 393 CZ TYR A 25 -3.081 -4.030 -0.177 1.00 2.94 C ATOM 394 OH TYR A 25 -4.339 -3.605 0.115 1.00 3.80 O ATOM 0 H TYR A 25 3.387 -4.836 -0.812 1.00 0.66 H new ATOM 0 HA TYR A 25 1.299 -4.813 1.025 1.00 0.73 H new ATOM 0 HB2 TYR A 25 1.476 -4.464 -1.598 1.00 0.78 H new ATOM 0 HB3 TYR A 25 1.036 -6.160 -1.641 1.00 0.78 H new ATOM 0 HD1 TYR A 25 -1.052 -6.760 0.051 1.00 2.20 H new ATOM 0 HD2 TYR A 25 -0.260 -2.931 -1.749 1.00 2.37 H new ATOM 0 HE1 TYR A 25 -3.280 -5.949 0.784 1.00 2.79 H new ATOM 0 HE2 TYR A 25 -2.604 -2.252 -1.294 1.00 3.13 H new ATOM 0 HH TYR A 25 -4.970 -4.346 -0.002 1.00 3.80 H new ATOM 404 N LYS A 26 2.237 -7.894 0.201 1.00 1.01 N ATOM 405 CA LYS A 26 2.133 -9.286 0.592 1.00 1.20 C ATOM 406 C LYS A 26 2.526 -9.455 2.058 1.00 1.27 C ATOM 407 O LYS A 26 1.786 -10.102 2.807 1.00 1.38 O ATOM 408 CB LYS A 26 2.985 -10.168 -0.331 1.00 1.41 C ATOM 409 CG LYS A 26 2.842 -11.671 -0.040 1.00 2.22 C ATOM 410 CD LYS A 26 1.461 -12.229 -0.430 1.00 2.82 C ATOM 411 CE LYS A 26 0.678 -12.873 0.732 1.00 4.17 C ATOM 412 NZ LYS A 26 0.031 -11.899 1.628 1.00 5.59 N ATOM 0 H LYS A 26 2.879 -7.733 -0.575 1.00 1.01 H new ATOM 0 HA LYS A 26 1.097 -9.608 0.488 1.00 1.20 H new ATOM 0 HB2 LYS A 26 2.703 -9.977 -1.366 1.00 1.41 H new ATOM 0 HB3 LYS A 26 4.032 -9.883 -0.229 1.00 1.41 H new ATOM 0 HG2 LYS A 26 3.615 -12.216 -0.582 1.00 2.22 H new ATOM 0 HG3 LYS A 26 3.013 -11.848 1.022 1.00 2.22 H new ATOM 0 HD2 LYS A 26 0.863 -11.421 -0.850 1.00 2.82 H new ATOM 0 HD3 LYS A 26 1.593 -12.971 -1.218 1.00 2.82 H new ATOM 0 HE2 LYS A 26 -0.084 -13.535 0.321 1.00 4.17 H new ATOM 0 HE3 LYS A 26 1.358 -13.493 1.316 1.00 4.17 H new ATOM 0 HZ1 LYS A 26 -0.447 -12.403 2.402 1.00 5.59 H new ATOM 0 HZ2 LYS A 26 0.750 -11.260 2.023 1.00 5.59 H new ATOM 0 HZ3 LYS A 26 -0.668 -11.345 1.092 1.00 5.59 H new ATOM 426 N ARG A 27 3.678 -8.895 2.439 1.00 1.24 N ATOM 427 CA ARG A 27 4.171 -8.871 3.814 1.00 1.45 C ATOM 428 C ARG A 27 3.053 -8.399 4.731 1.00 1.29 C ATOM 429 O ARG A 27 2.704 -9.054 5.712 1.00 1.42 O ATOM 430 CB ARG A 27 5.352 -7.886 3.938 1.00 1.68 C ATOM 431 CG ARG A 27 6.721 -8.544 4.107 1.00 1.87 C ATOM 432 CD ARG A 27 7.354 -8.186 5.453 1.00 2.56 C ATOM 433 NE ARG A 27 6.671 -8.849 6.573 1.00 3.16 N ATOM 434 CZ ARG A 27 7.047 -8.778 7.858 1.00 4.57 C ATOM 435 NH1 ARG A 27 8.076 -8.012 8.214 1.00 5.51 N ATOM 436 NH2 ARG A 27 6.360 -9.466 8.766 1.00 5.69 N ATOM 0 H ARG A 27 4.307 -8.435 1.781 1.00 1.24 H new ATOM 0 HA ARG A 27 4.501 -9.872 4.091 1.00 1.45 H new ATOM 0 HB2 ARG A 27 5.375 -7.255 3.050 1.00 1.68 H new ATOM 0 HB3 ARG A 27 5.172 -7.230 4.790 1.00 1.68 H new ATOM 0 HG2 ARG A 27 6.618 -9.626 4.029 1.00 1.87 H new ATOM 0 HG3 ARG A 27 7.380 -8.228 3.298 1.00 1.87 H new ATOM 0 HD2 ARG A 27 8.405 -8.473 5.448 1.00 2.56 H new ATOM 0 HD3 ARG A 27 7.319 -7.106 5.595 1.00 2.56 H new ATOM 0 HE ARG A 27 5.846 -9.407 6.355 1.00 3.16 H new ATOM 0 HH11 ARG A 27 8.581 -7.476 7.508 1.00 5.51 H new ATOM 0 HH12 ARG A 27 8.359 -7.961 9.193 1.00 5.51 H new ATOM 0 HH21 ARG A 27 5.563 -10.034 8.479 1.00 5.69 H new ATOM 0 HH22 ARG A 27 6.630 -9.425 9.749 1.00 5.69 H new ATOM 450 N LEU A 28 2.525 -7.226 4.408 1.00 1.07 N ATOM 451 CA LEU A 28 1.520 -6.557 5.198 1.00 1.01 C ATOM 452 C LEU A 28 0.279 -7.412 5.345 1.00 1.05 C ATOM 453 O LEU A 28 -0.157 -7.676 6.460 1.00 1.17 O ATOM 454 CB LEU A 28 1.192 -5.225 4.535 1.00 0.85 C ATOM 455 CG LEU A 28 2.067 -4.142 5.156 1.00 1.14 C ATOM 456 CD1 LEU A 28 2.051 -2.920 4.261 1.00 1.82 C ATOM 457 CD2 LEU A 28 1.525 -3.715 6.518 1.00 1.52 C ATOM 0 H LEU A 28 2.794 -6.709 3.571 1.00 1.07 H new ATOM 0 HA LEU A 28 1.904 -6.382 6.203 1.00 1.01 H new ATOM 0 HB2 LEU A 28 1.368 -5.284 3.461 1.00 0.85 H new ATOM 0 HB3 LEU A 28 0.138 -4.984 4.672 1.00 0.85 H new ATOM 0 HG LEU A 28 3.073 -4.545 5.270 1.00 1.14 H new ATOM 0 HD11 LEU A 28 2.675 -2.140 4.698 1.00 1.82 H new ATOM 0 HD12 LEU A 28 2.438 -3.185 3.277 1.00 1.82 H new ATOM 0 HD13 LEU A 28 1.029 -2.554 4.163 1.00 1.82 H new ATOM 0 HD21 LEU A 28 2.167 -2.942 6.939 1.00 1.52 H new ATOM 0 HD22 LEU A 28 0.515 -3.323 6.401 1.00 1.52 H new ATOM 0 HD23 LEU A 28 1.505 -4.575 7.188 1.00 1.52 H new ATOM 469 N ALA A 29 -0.275 -7.865 4.227 1.00 1.02 N ATOM 470 CA ALA A 29 -1.488 -8.653 4.237 1.00 1.14 C ATOM 471 C ALA A 29 -1.293 -9.844 5.168 1.00 1.35 C ATOM 472 O ALA A 29 -2.113 -10.081 6.045 1.00 1.66 O ATOM 473 CB ALA A 29 -1.841 -9.082 2.815 1.00 1.18 C ATOM 0 H ALA A 29 0.106 -7.695 3.296 1.00 1.02 H new ATOM 0 HA ALA A 29 -2.325 -8.063 4.610 1.00 1.14 H new ATOM 0 HB1 ALA A 29 -2.755 -9.675 2.830 1.00 1.18 H new ATOM 0 HB2 ALA A 29 -1.992 -8.198 2.195 1.00 1.18 H new ATOM 0 HB3 ALA A 29 -1.028 -9.680 2.403 1.00 1.18 H new ATOM 479 N MET A 30 -0.161 -10.533 5.025 1.00 1.34 N ATOM 480 CA MET A 30 0.208 -11.628 5.905 1.00 1.63 C ATOM 481 C MET A 30 0.236 -11.171 7.377 1.00 1.67 C ATOM 482 O MET A 30 -0.257 -11.874 8.256 1.00 1.85 O ATOM 483 CB MET A 30 1.543 -12.196 5.411 1.00 2.02 C ATOM 484 CG MET A 30 1.930 -13.514 6.083 1.00 2.79 C ATOM 485 SD MET A 30 3.583 -14.120 5.644 1.00 3.51 S ATOM 486 CE MET A 30 3.423 -14.271 3.850 1.00 3.07 C ATOM 0 H MET A 30 0.523 -10.343 4.293 1.00 1.34 H new ATOM 0 HA MET A 30 -0.536 -12.424 5.874 1.00 1.63 H new ATOM 0 HB2 MET A 30 1.487 -12.349 4.333 1.00 2.02 H new ATOM 0 HB3 MET A 30 2.329 -11.462 5.588 1.00 2.02 H new ATOM 0 HG2 MET A 30 1.878 -13.386 7.164 1.00 2.79 H new ATOM 0 HG3 MET A 30 1.195 -14.274 5.817 1.00 2.79 H new ATOM 0 HE1 MET A 30 4.263 -14.844 3.457 1.00 3.07 H new ATOM 0 HE2 MET A 30 2.491 -14.782 3.610 1.00 3.07 H new ATOM 0 HE3 MET A 30 3.419 -13.278 3.400 1.00 3.07 H new ATOM 496 N LYS A 31 0.806 -9.994 7.647 1.00 1.61 N ATOM 497 CA LYS A 31 0.939 -9.414 8.984 1.00 1.78 C ATOM 498 C LYS A 31 -0.401 -9.295 9.702 1.00 1.82 C ATOM 499 O LYS A 31 -0.461 -9.356 10.932 1.00 2.39 O ATOM 500 CB LYS A 31 1.574 -8.021 8.889 1.00 1.76 C ATOM 501 CG LYS A 31 2.306 -7.630 10.180 1.00 2.05 C ATOM 502 CD LYS A 31 2.948 -6.239 10.075 1.00 2.69 C ATOM 503 CE LYS A 31 4.063 -6.238 9.019 1.00 3.22 C ATOM 504 NZ LYS A 31 4.942 -5.058 9.106 1.00 4.70 N ATOM 0 H LYS A 31 1.200 -9.400 6.917 1.00 1.61 H new ATOM 0 HA LYS A 31 1.573 -10.087 9.560 1.00 1.78 H new ATOM 0 HB2 LYS A 31 2.275 -7.999 8.055 1.00 1.76 H new ATOM 0 HB3 LYS A 31 0.800 -7.284 8.675 1.00 1.76 H new ATOM 0 HG2 LYS A 31 1.604 -7.644 11.014 1.00 2.05 H new ATOM 0 HG3 LYS A 31 3.076 -8.370 10.399 1.00 2.05 H new ATOM 0 HD2 LYS A 31 2.190 -5.501 9.812 1.00 2.69 H new ATOM 0 HD3 LYS A 31 3.356 -5.946 11.043 1.00 2.69 H new ATOM 0 HE2 LYS A 31 4.664 -7.140 9.133 1.00 3.22 H new ATOM 0 HE3 LYS A 31 3.615 -6.277 8.026 1.00 3.22 H new ATOM 0 HZ1 LYS A 31 5.673 -5.115 8.369 1.00 4.70 H new ATOM 0 HZ2 LYS A 31 4.379 -4.195 8.969 1.00 4.70 H new ATOM 0 HZ3 LYS A 31 5.395 -5.031 10.042 1.00 4.70 H new ATOM 518 N TYR A 32 -1.462 -9.019 8.951 1.00 1.44 N ATOM 519 CA TYR A 32 -2.823 -9.040 9.440 1.00 1.61 C ATOM 520 C TYR A 32 -3.626 -10.125 8.725 1.00 1.70 C ATOM 521 O TYR A 32 -4.796 -9.933 8.398 1.00 2.13 O ATOM 522 CB TYR A 32 -3.446 -7.651 9.311 1.00 1.79 C ATOM 523 CG TYR A 32 -3.340 -6.977 7.963 1.00 1.55 C ATOM 524 CD1 TYR A 32 -4.294 -7.214 6.959 1.00 2.75 C ATOM 525 CD2 TYR A 32 -2.296 -6.071 7.727 1.00 2.45 C ATOM 526 CE1 TYR A 32 -4.144 -6.629 5.696 1.00 3.80 C ATOM 527 CE2 TYR A 32 -2.170 -5.456 6.474 1.00 3.29 C ATOM 528 CZ TYR A 32 -3.077 -5.760 5.444 1.00 3.76 C ATOM 529 OH TYR A 32 -2.835 -5.378 4.157 1.00 5.15 O ATOM 0 H TYR A 32 -1.391 -8.770 7.964 1.00 1.44 H new ATOM 0 HA TYR A 32 -2.832 -9.294 10.500 1.00 1.61 H new ATOM 0 HB2 TYR A 32 -4.502 -7.727 9.570 1.00 1.79 H new ATOM 0 HB3 TYR A 32 -2.982 -7.001 10.053 1.00 1.79 H new ATOM 0 HD1 TYR A 32 -5.144 -7.848 7.162 1.00 2.75 H new ATOM 0 HD2 TYR A 32 -1.588 -5.847 8.512 1.00 2.45 H new ATOM 0 HE1 TYR A 32 -4.855 -6.849 4.913 1.00 3.80 H new ATOM 0 HE2 TYR A 32 -1.374 -4.747 6.299 1.00 3.29 H new ATOM 0 HH TYR A 32 -3.676 -5.369 3.655 1.00 5.15 H new ATOM 539 N HIS A 33 -3.040 -11.305 8.548 1.00 1.78 N ATOM 540 CA HIS A 33 -3.788 -12.483 8.149 1.00 2.14 C ATOM 541 C HIS A 33 -3.678 -13.558 9.220 1.00 3.58 C ATOM 542 O HIS A 33 -2.837 -14.447 9.106 1.00 4.29 O ATOM 543 CB HIS A 33 -3.308 -12.988 6.787 1.00 1.90 C ATOM 544 CG HIS A 33 -4.114 -14.140 6.254 1.00 2.20 C ATOM 545 ND1 HIS A 33 -5.264 -14.029 5.509 1.00 2.91 N ATOM 546 CD2 HIS A 33 -3.761 -15.462 6.282 1.00 3.09 C ATOM 547 CE1 HIS A 33 -5.592 -15.257 5.081 1.00 3.20 C ATOM 548 NE2 HIS A 33 -4.688 -16.163 5.498 1.00 3.34 N ATOM 0 H HIS A 33 -2.041 -11.467 8.677 1.00 1.78 H new ATOM 0 HA HIS A 33 -4.841 -12.220 8.046 1.00 2.14 H new ATOM 0 HB2 HIS A 33 -3.345 -12.167 6.071 1.00 1.90 H new ATOM 0 HB3 HIS A 33 -2.265 -13.293 6.869 1.00 1.90 H new ATOM 0 HD2 HIS A 33 -2.921 -15.888 6.812 1.00 3.09 H new ATOM 0 HE1 HIS A 33 -6.462 -15.487 4.484 1.00 3.20 H new ATOM 0 HE2 HIS A 33 -4.679 -17.161 5.286 1.00 3.34 H new ATOM 556 N PRO A 34 -4.541 -13.496 10.243 1.00 4.77 N ATOM 557 CA PRO A 34 -4.773 -14.632 11.102 1.00 6.13 C ATOM 558 C PRO A 34 -5.204 -15.866 10.308 1.00 5.75 C ATOM 559 O PRO A 34 -5.608 -15.776 9.148 1.00 5.43 O ATOM 560 CB PRO A 34 -5.742 -14.188 12.205 1.00 7.56 C ATOM 561 CG PRO A 34 -5.739 -12.655 12.118 1.00 7.66 C ATOM 562 CD PRO A 34 -5.260 -12.321 10.700 1.00 5.66 C ATOM 0 HA PRO A 34 -3.853 -14.962 11.585 1.00 6.13 H new ATOM 0 HB2 PRO A 34 -6.741 -14.594 12.044 1.00 7.56 H new ATOM 0 HB3 PRO A 34 -5.413 -14.531 13.186 1.00 7.56 H new ATOM 0 HG2 PRO A 34 -6.735 -12.251 12.300 1.00 7.66 H new ATOM 0 HG3 PRO A 34 -5.077 -12.222 12.867 1.00 7.66 H new ATOM 0 HD2 PRO A 34 -6.102 -12.097 10.045 1.00 5.66 H new ATOM 0 HD3 PRO A 34 -4.615 -11.443 10.701 1.00 5.66 H new ATOM 570 N ASP A 35 -5.101 -17.019 10.958 1.00 6.21 N ATOM 571 CA ASP A 35 -5.507 -18.311 10.433 1.00 6.17 C ATOM 572 C ASP A 35 -7.019 -18.323 10.268 1.00 5.63 C ATOM 573 O ASP A 35 -7.532 -18.417 9.153 1.00 6.02 O ATOM 574 CB ASP A 35 -5.021 -19.449 11.352 1.00 6.54 C ATOM 575 CG ASP A 35 -5.077 -19.179 12.845 1.00 6.75 C ATOM 576 OD1 ASP A 35 -5.794 -18.258 13.295 1.00 6.45 O ATOM 577 OD2 ASP A 35 -4.340 -19.870 13.577 1.00 7.84 O ATOM 0 H ASP A 35 -4.717 -17.079 11.901 1.00 6.21 H new ATOM 0 HA ASP A 35 -5.049 -18.476 9.458 1.00 6.17 H new ATOM 0 HB2 ASP A 35 -5.618 -20.337 11.142 1.00 6.54 H new ATOM 0 HB3 ASP A 35 -3.991 -19.687 11.086 1.00 6.54 H new ATOM 582 N ARG A 36 -7.738 -18.217 11.383 1.00 5.34 N ATOM 583 CA ARG A 36 -9.183 -18.109 11.374 1.00 4.94 C ATOM 584 C ARG A 36 -9.602 -16.900 10.540 1.00 4.62 C ATOM 585 O ARG A 36 -10.316 -17.054 9.552 1.00 5.43 O ATOM 586 CB ARG A 36 -9.762 -18.046 12.797 1.00 4.41 C ATOM 587 CG ARG A 36 -8.886 -17.372 13.866 1.00 4.39 C ATOM 588 CD ARG A 36 -9.789 -16.760 14.940 1.00 4.61 C ATOM 589 NE ARG A 36 -9.024 -16.274 16.096 1.00 5.80 N ATOM 590 CZ ARG A 36 -9.575 -15.641 17.145 1.00 6.76 C ATOM 591 NH1 ARG A 36 -10.891 -15.413 17.157 1.00 6.95 N ATOM 592 NH2 ARG A 36 -8.808 -15.254 18.163 1.00 8.10 N ATOM 0 H ARG A 36 -7.328 -18.204 12.317 1.00 5.34 H new ATOM 0 HA ARG A 36 -9.594 -19.009 10.916 1.00 4.94 H new ATOM 0 HB2 ARG A 36 -10.715 -17.518 12.754 1.00 4.41 H new ATOM 0 HB3 ARG A 36 -9.976 -19.064 13.123 1.00 4.41 H new ATOM 0 HG2 ARG A 36 -8.211 -18.101 14.313 1.00 4.39 H new ATOM 0 HG3 ARG A 36 -8.265 -16.600 13.412 1.00 4.39 H new ATOM 0 HD2 ARG A 36 -10.356 -15.935 14.509 1.00 4.61 H new ATOM 0 HD3 ARG A 36 -10.512 -17.505 15.272 1.00 4.61 H new ATOM 0 HE ARG A 36 -8.015 -16.426 16.103 1.00 5.80 H new ATOM 0 HH11 ARG A 36 -11.469 -15.719 16.374 1.00 6.95 H new ATOM 0 HH12 ARG A 36 -11.318 -14.933 17.949 1.00 6.95 H new ATOM 0 HH21 ARG A 36 -7.805 -15.438 18.145 1.00 8.10 H new ATOM 0 HH22 ARG A 36 -9.224 -14.773 18.961 1.00 8.10 H new ATOM 606 N ASN A 37 -9.183 -15.712 10.990 1.00 4.24 N ATOM 607 CA ASN A 37 -9.324 -14.401 10.363 1.00 4.28 C ATOM 608 C ASN A 37 -10.633 -14.343 9.586 1.00 5.09 C ATOM 609 O ASN A 37 -10.668 -14.477 8.363 1.00 6.53 O ATOM 610 CB ASN A 37 -8.109 -14.063 9.493 1.00 4.91 C ATOM 611 CG ASN A 37 -8.359 -12.864 8.580 1.00 5.43 C ATOM 612 OD1 ASN A 37 -9.222 -12.027 8.841 1.00 5.41 O ATOM 613 ND2 ASN A 37 -7.551 -12.734 7.539 1.00 6.60 N ATOM 0 H ASN A 37 -8.693 -15.642 11.882 1.00 4.24 H new ATOM 0 HA ASN A 37 -9.360 -13.636 11.139 1.00 4.28 H new ATOM 0 HB2 ASN A 37 -7.253 -13.855 10.135 1.00 4.91 H new ATOM 0 HB3 ASN A 37 -7.848 -14.930 8.886 1.00 4.91 H new ATOM 0 HD21 ASN A 37 -7.634 -11.922 6.927 1.00 6.60 H new ATOM 0 HD22 ASN A 37 -6.845 -13.446 7.349 1.00 6.60 H new ATOM 620 N GLN A 38 -11.730 -14.182 10.315 1.00 4.48 N ATOM 621 CA GLN A 38 -13.065 -14.166 9.743 1.00 5.38 C ATOM 622 C GLN A 38 -13.342 -12.786 9.148 1.00 6.01 C ATOM 623 O GLN A 38 -14.239 -12.073 9.597 1.00 5.93 O ATOM 624 CB GLN A 38 -14.110 -14.659 10.762 1.00 5.14 C ATOM 625 CG GLN A 38 -13.932 -14.131 12.193 1.00 4.72 C ATOM 626 CD GLN A 38 -12.867 -14.899 12.969 1.00 6.02 C ATOM 627 OE1 GLN A 38 -11.774 -14.387 13.203 1.00 6.68 O ATOM 628 NE2 GLN A 38 -13.140 -16.151 13.312 1.00 7.08 N ATOM 0 H GLN A 38 -11.715 -14.058 11.327 1.00 4.48 H new ATOM 0 HA GLN A 38 -13.139 -14.875 8.918 1.00 5.38 H new ATOM 0 HB2 GLN A 38 -15.101 -14.374 10.408 1.00 5.14 H new ATOM 0 HB3 GLN A 38 -14.082 -15.748 10.788 1.00 5.14 H new ATOM 0 HG2 GLN A 38 -13.661 -13.076 12.157 1.00 4.72 H new ATOM 0 HG3 GLN A 38 -14.882 -14.198 12.723 1.00 4.72 H new ATOM 0 HE21 GLN A 38 -14.056 -16.548 13.105 1.00 7.08 H new ATOM 0 HE22 GLN A 38 -12.434 -16.716 13.783 1.00 7.08 H new ATOM 637 N GLY A 39 -12.535 -12.404 8.152 1.00 7.27 N ATOM 638 CA GLY A 39 -12.457 -11.044 7.646 1.00 8.27 C ATOM 639 C GLY A 39 -12.418 -10.086 8.828 1.00 7.05 C ATOM 640 O GLY A 39 -13.292 -9.225 8.959 1.00 7.19 O ATOM 0 H GLY A 39 -11.909 -13.050 7.671 1.00 7.27 H new ATOM 0 HA2 GLY A 39 -11.566 -10.920 7.030 1.00 8.27 H new ATOM 0 HA3 GLY A 39 -13.316 -10.827 7.012 1.00 8.27 H new ATOM 644 N ASP A 40 -11.499 -10.329 9.763 1.00 5.94 N ATOM 645 CA ASP A 40 -11.538 -9.642 11.041 1.00 4.97 C ATOM 646 C ASP A 40 -11.345 -8.133 10.843 1.00 4.24 C ATOM 647 O ASP A 40 -10.760 -7.704 9.846 1.00 5.01 O ATOM 648 CB ASP A 40 -10.556 -10.262 12.040 1.00 4.34 C ATOM 649 CG ASP A 40 -10.987 -10.037 13.476 1.00 4.85 C ATOM 650 OD1 ASP A 40 -11.874 -9.190 13.729 1.00 5.13 O ATOM 651 OD2 ASP A 40 -10.458 -10.761 14.346 1.00 5.98 O ATOM 0 H ASP A 40 -10.729 -10.990 9.656 1.00 5.94 H new ATOM 0 HA ASP A 40 -12.525 -9.773 11.485 1.00 4.97 H new ATOM 0 HB2 ASP A 40 -10.473 -11.332 11.850 1.00 4.34 H new ATOM 0 HB3 ASP A 40 -9.565 -9.834 11.888 1.00 4.34 H new ATOM 656 N LYS A 41 -11.890 -7.326 11.750 1.00 3.36 N ATOM 657 CA LYS A 41 -12.095 -5.905 11.501 1.00 2.79 C ATOM 658 C LYS A 41 -10.778 -5.201 11.197 1.00 2.70 C ATOM 659 O LYS A 41 -10.629 -4.579 10.145 1.00 2.45 O ATOM 660 CB LYS A 41 -12.768 -5.215 12.691 1.00 3.08 C ATOM 661 CG LYS A 41 -14.153 -5.764 13.037 1.00 4.05 C ATOM 662 CD LYS A 41 -14.801 -4.749 13.989 1.00 4.20 C ATOM 663 CE LYS A 41 -16.066 -5.285 14.659 1.00 5.10 C ATOM 664 NZ LYS A 41 -17.121 -5.659 13.701 1.00 5.63 N ATOM 0 H LYS A 41 -12.199 -7.637 12.671 1.00 3.36 H new ATOM 0 HA LYS A 41 -12.751 -5.832 10.633 1.00 2.79 H new ATOM 0 HB2 LYS A 41 -12.123 -5.312 13.564 1.00 3.08 H new ATOM 0 HB3 LYS A 41 -12.856 -4.150 12.476 1.00 3.08 H new ATOM 0 HG2 LYS A 41 -14.755 -5.891 12.137 1.00 4.05 H new ATOM 0 HG3 LYS A 41 -14.075 -6.743 13.509 1.00 4.05 H new ATOM 0 HD2 LYS A 41 -14.081 -4.468 14.757 1.00 4.20 H new ATOM 0 HD3 LYS A 41 -15.046 -3.843 13.434 1.00 4.20 H new ATOM 0 HE2 LYS A 41 -15.808 -6.155 15.262 1.00 5.10 H new ATOM 0 HE3 LYS A 41 -16.456 -4.529 15.341 1.00 5.10 H new ATOM 0 HZ1 LYS A 41 -17.950 -6.014 14.219 1.00 5.63 H new ATOM 0 HZ2 LYS A 41 -17.393 -4.826 13.141 1.00 5.63 H new ATOM 0 HZ3 LYS A 41 -16.766 -6.402 13.066 1.00 5.63 H new ATOM 678 N GLU A 42 -9.840 -5.265 12.142 1.00 2.95 N ATOM 679 CA GLU A 42 -8.623 -4.488 12.034 1.00 2.84 C ATOM 680 C GLU A 42 -7.863 -4.871 10.774 1.00 2.51 C ATOM 681 O GLU A 42 -7.375 -4.002 10.069 1.00 2.23 O ATOM 682 CB GLU A 42 -7.767 -4.596 13.300 1.00 3.33 C ATOM 683 CG GLU A 42 -7.598 -6.013 13.851 1.00 4.78 C ATOM 684 CD GLU A 42 -6.408 -6.053 14.785 1.00 5.40 C ATOM 685 OE1 GLU A 42 -6.298 -5.172 15.660 1.00 4.80 O ATOM 686 OE2 GLU A 42 -5.558 -6.942 14.588 1.00 6.89 O ATOM 0 H GLU A 42 -9.905 -5.843 12.980 1.00 2.95 H new ATOM 0 HA GLU A 42 -8.890 -3.435 11.945 1.00 2.84 H new ATOM 0 HB2 GLU A 42 -6.780 -4.185 13.088 1.00 3.33 H new ATOM 0 HB3 GLU A 42 -8.212 -3.972 14.075 1.00 3.33 H new ATOM 0 HG2 GLU A 42 -8.500 -6.318 14.381 1.00 4.78 H new ATOM 0 HG3 GLU A 42 -7.455 -6.718 13.032 1.00 4.78 H new ATOM 693 N ALA A 43 -7.776 -6.163 10.473 1.00 2.60 N ATOM 694 CA ALA A 43 -7.171 -6.658 9.270 1.00 2.42 C ATOM 695 C ALA A 43 -7.773 -5.993 8.037 1.00 1.97 C ATOM 696 O ALA A 43 -7.049 -5.464 7.193 1.00 1.62 O ATOM 697 CB ALA A 43 -7.319 -8.183 9.225 1.00 2.73 C ATOM 0 H ALA A 43 -8.136 -6.900 11.080 1.00 2.60 H new ATOM 0 HA ALA A 43 -6.110 -6.410 9.269 1.00 2.42 H new ATOM 0 HB1 ALA A 43 -6.861 -8.566 8.313 1.00 2.73 H new ATOM 0 HB2 ALA A 43 -6.825 -8.622 10.091 1.00 2.73 H new ATOM 0 HB3 ALA A 43 -8.377 -8.446 9.239 1.00 2.73 H new ATOM 703 N GLU A 44 -9.100 -6.013 7.933 1.00 2.03 N ATOM 704 CA GLU A 44 -9.785 -5.445 6.791 1.00 1.74 C ATOM 705 C GLU A 44 -9.488 -3.946 6.699 1.00 1.47 C ATOM 706 O GLU A 44 -9.134 -3.455 5.626 1.00 1.19 O ATOM 707 CB GLU A 44 -11.279 -5.792 6.883 1.00 2.01 C ATOM 708 CG GLU A 44 -12.042 -5.560 5.570 1.00 1.82 C ATOM 709 CD GLU A 44 -12.467 -4.126 5.359 1.00 1.75 C ATOM 710 OE1 GLU A 44 -12.911 -3.497 6.340 1.00 2.57 O ATOM 711 OE2 GLU A 44 -12.453 -3.669 4.200 1.00 2.97 O ATOM 0 H GLU A 44 -9.719 -6.421 8.634 1.00 2.03 H new ATOM 0 HA GLU A 44 -9.423 -5.873 5.856 1.00 1.74 H new ATOM 0 HB2 GLU A 44 -11.384 -6.837 7.176 1.00 2.01 H new ATOM 0 HB3 GLU A 44 -11.736 -5.193 7.671 1.00 2.01 H new ATOM 0 HG2 GLU A 44 -11.413 -5.870 4.735 1.00 1.82 H new ATOM 0 HG3 GLU A 44 -12.926 -6.197 5.557 1.00 1.82 H new ATOM 718 N ALA A 45 -9.597 -3.218 7.810 1.00 1.68 N ATOM 719 CA ALA A 45 -9.360 -1.790 7.839 1.00 1.62 C ATOM 720 C ALA A 45 -7.904 -1.473 7.493 1.00 1.36 C ATOM 721 O ALA A 45 -7.607 -0.520 6.777 1.00 1.24 O ATOM 722 CB ALA A 45 -9.733 -1.230 9.213 1.00 2.04 C ATOM 0 H ALA A 45 -9.854 -3.612 8.715 1.00 1.68 H new ATOM 0 HA ALA A 45 -9.988 -1.313 7.087 1.00 1.62 H new ATOM 0 HB1 ALA A 45 -9.553 -0.155 9.229 1.00 2.04 H new ATOM 0 HB2 ALA A 45 -10.787 -1.424 9.411 1.00 2.04 H new ATOM 0 HB3 ALA A 45 -9.125 -1.711 9.979 1.00 2.04 H new ATOM 728 N LYS A 46 -6.977 -2.298 7.965 1.00 1.37 N ATOM 729 CA LYS A 46 -5.571 -2.128 7.667 1.00 1.11 C ATOM 730 C LYS A 46 -5.383 -2.285 6.160 1.00 0.78 C ATOM 731 O LYS A 46 -4.777 -1.431 5.513 1.00 0.64 O ATOM 732 CB LYS A 46 -4.731 -3.111 8.496 1.00 1.33 C ATOM 733 CG LYS A 46 -3.272 -2.627 8.600 1.00 1.22 C ATOM 734 CD LYS A 46 -2.949 -2.248 10.052 1.00 1.36 C ATOM 735 CE LYS A 46 -2.862 -3.503 10.939 1.00 2.86 C ATOM 736 NZ LYS A 46 -1.464 -3.913 11.168 1.00 4.04 N ATOM 0 H LYS A 46 -7.183 -3.099 8.562 1.00 1.37 H new ATOM 0 HA LYS A 46 -5.223 -1.134 7.946 1.00 1.11 H new ATOM 0 HB2 LYS A 46 -5.158 -3.211 9.494 1.00 1.33 H new ATOM 0 HB3 LYS A 46 -4.760 -4.099 8.037 1.00 1.33 H new ATOM 0 HG2 LYS A 46 -2.595 -3.411 8.260 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -3.118 -1.767 7.948 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -2.005 -1.705 10.089 1.00 1.36 H new ATOM 0 HD3 LYS A 46 -3.718 -1.578 10.437 1.00 1.36 H new ATOM 0 HE2 LYS A 46 -3.345 -3.306 11.896 1.00 2.86 H new ATOM 0 HE3 LYS A 46 -3.408 -4.320 10.468 1.00 2.86 H new ATOM 0 HZ1 LYS A 46 -1.445 -4.761 11.769 1.00 4.04 H new ATOM 0 HZ2 LYS A 46 -1.011 -4.125 10.256 1.00 4.04 H new ATOM 0 HZ3 LYS A 46 -0.949 -3.143 11.640 1.00 4.04 H new ATOM 750 N PHE A 47 -5.960 -3.344 5.583 1.00 0.90 N ATOM 751 CA PHE A 47 -5.980 -3.496 4.138 1.00 0.78 C ATOM 752 C PHE A 47 -6.570 -2.247 3.487 1.00 0.59 C ATOM 753 O PHE A 47 -6.127 -1.881 2.408 1.00 0.72 O ATOM 754 CB PHE A 47 -6.739 -4.758 3.711 1.00 1.07 C ATOM 755 CG PHE A 47 -6.606 -5.134 2.240 1.00 1.22 C ATOM 756 CD1 PHE A 47 -7.370 -4.468 1.262 1.00 2.24 C ATOM 757 CD2 PHE A 47 -5.779 -6.204 1.854 1.00 2.12 C ATOM 758 CE1 PHE A 47 -7.304 -4.864 -0.085 1.00 2.51 C ATOM 759 CE2 PHE A 47 -5.770 -6.649 0.519 1.00 2.28 C ATOM 760 CZ PHE A 47 -6.520 -5.970 -0.455 1.00 1.87 C ATOM 0 H PHE A 47 -6.414 -4.099 6.096 1.00 0.90 H new ATOM 0 HA PHE A 47 -4.952 -3.614 3.795 1.00 0.78 H new ATOM 0 HB2 PHE A 47 -6.388 -5.594 4.316 1.00 1.07 H new ATOM 0 HB3 PHE A 47 -7.796 -4.621 3.939 1.00 1.07 H new ATOM 0 HD1 PHE A 47 -8.011 -3.647 1.549 1.00 2.24 H new ATOM 0 HD2 PHE A 47 -5.148 -6.686 2.586 1.00 2.12 H new ATOM 0 HE1 PHE A 47 -7.856 -4.318 -0.836 1.00 2.51 H new ATOM 0 HE2 PHE A 47 -5.185 -7.514 0.243 1.00 2.28 H new ATOM 0 HZ PHE A 47 -6.494 -6.296 -1.484 1.00 1.87 H new ATOM 770 N LYS A 48 -7.548 -1.571 4.099 1.00 0.66 N ATOM 771 CA LYS A 48 -8.101 -0.379 3.480 1.00 0.83 C ATOM 772 C LYS A 48 -7.035 0.692 3.304 1.00 0.89 C ATOM 773 O LYS A 48 -6.924 1.233 2.207 1.00 1.07 O ATOM 774 CB LYS A 48 -9.330 0.188 4.196 1.00 1.10 C ATOM 775 CG LYS A 48 -10.507 -0.750 3.968 1.00 1.07 C ATOM 776 CD LYS A 48 -11.790 -0.233 4.629 1.00 1.35 C ATOM 777 CE LYS A 48 -12.685 0.517 3.629 1.00 1.38 C ATOM 778 NZ LYS A 48 -12.061 1.717 3.033 1.00 2.46 N ATOM 0 H LYS A 48 -7.959 -1.825 4.997 1.00 0.66 H new ATOM 0 HA LYS A 48 -8.452 -0.699 2.499 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -9.131 0.291 5.263 1.00 1.10 H new ATOM 0 HB3 LYS A 48 -9.562 1.183 3.817 1.00 1.10 H new ATOM 0 HG2 LYS A 48 -10.673 -0.869 2.897 1.00 1.07 H new ATOM 0 HG3 LYS A 48 -10.267 -1.736 4.365 1.00 1.07 H new ATOM 0 HD2 LYS A 48 -12.343 -1.071 5.054 1.00 1.35 H new ATOM 0 HD3 LYS A 48 -11.532 0.430 5.454 1.00 1.35 H new ATOM 0 HE2 LYS A 48 -12.967 -0.167 2.828 1.00 1.38 H new ATOM 0 HE3 LYS A 48 -13.605 0.813 4.134 1.00 1.38 H new ATOM 0 HZ1 LYS A 48 -12.751 2.201 2.424 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -11.755 2.361 3.790 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -11.237 1.434 2.465 1.00 2.46 H new ATOM 792 N GLU A 49 -6.275 1.013 4.354 1.00 0.86 N ATOM 793 CA GLU A 49 -5.190 1.976 4.241 1.00 0.93 C ATOM 794 C GLU A 49 -4.232 1.563 3.133 1.00 0.89 C ATOM 795 O GLU A 49 -3.856 2.359 2.278 1.00 1.11 O ATOM 796 CB GLU A 49 -4.399 2.035 5.545 1.00 0.91 C ATOM 797 CG GLU A 49 -5.155 2.721 6.678 1.00 1.73 C ATOM 798 CD GLU A 49 -4.281 2.809 7.908 1.00 1.74 C ATOM 799 OE1 GLU A 49 -3.049 2.936 7.751 1.00 2.07 O ATOM 800 OE2 GLU A 49 -4.836 2.699 9.020 1.00 2.60 O ATOM 0 H GLU A 49 -6.395 0.619 5.287 1.00 0.86 H new ATOM 0 HA GLU A 49 -5.628 2.949 4.019 1.00 0.93 H new ATOM 0 HB2 GLU A 49 -4.140 1.021 5.851 1.00 0.91 H new ATOM 0 HB3 GLU A 49 -3.462 2.564 5.370 1.00 0.91 H new ATOM 0 HG2 GLU A 49 -5.462 3.720 6.368 1.00 1.73 H new ATOM 0 HG3 GLU A 49 -6.064 2.165 6.908 1.00 1.73 H new ATOM 807 N ILE A 50 -3.798 0.313 3.191 1.00 0.71 N ATOM 808 CA ILE A 50 -2.711 -0.157 2.360 1.00 0.79 C ATOM 809 C ILE A 50 -3.204 -0.221 0.906 1.00 0.88 C ATOM 810 O ILE A 50 -2.451 0.103 -0.010 1.00 1.04 O ATOM 811 CB ILE A 50 -2.158 -1.463 2.959 1.00 0.71 C ATOM 812 CG1 ILE A 50 -1.765 -1.230 4.437 1.00 0.78 C ATOM 813 CG2 ILE A 50 -0.899 -1.972 2.239 1.00 0.98 C ATOM 814 CD1 ILE A 50 -1.801 -2.540 5.206 1.00 0.80 C ATOM 0 H ILE A 50 -4.189 -0.396 3.812 1.00 0.71 H new ATOM 0 HA ILE A 50 -1.857 0.520 2.339 1.00 0.79 H new ATOM 0 HB ILE A 50 -2.950 -2.204 2.850 1.00 0.71 H new ATOM 0 HG12 ILE A 50 -0.766 -0.796 4.491 1.00 0.78 H new ATOM 0 HG13 ILE A 50 -2.448 -0.514 4.893 1.00 0.78 H new ATOM 0 HG21 ILE A 50 -0.559 -2.895 2.709 1.00 0.98 H new ATOM 0 HG22 ILE A 50 -1.131 -2.162 1.191 1.00 0.98 H new ATOM 0 HG23 ILE A 50 -0.113 -1.220 2.306 1.00 0.98 H new ATOM 0 HD11 ILE A 50 -1.522 -2.360 6.244 1.00 0.80 H new ATOM 0 HD12 ILE A 50 -2.807 -2.957 5.167 1.00 0.80 H new ATOM 0 HD13 ILE A 50 -1.099 -3.244 4.759 1.00 0.80 H new ATOM 826 N LYS A 51 -4.484 -0.543 0.686 1.00 0.88 N ATOM 827 CA LYS A 51 -5.126 -0.443 -0.615 1.00 1.13 C ATOM 828 C LYS A 51 -5.040 1.004 -1.089 1.00 1.24 C ATOM 829 O LYS A 51 -4.681 1.248 -2.237 1.00 1.43 O ATOM 830 CB LYS A 51 -6.595 -0.887 -0.510 1.00 1.30 C ATOM 831 CG LYS A 51 -7.373 -0.804 -1.835 1.00 1.72 C ATOM 832 CD LYS A 51 -8.792 -0.273 -1.572 1.00 2.87 C ATOM 833 CE LYS A 51 -9.703 -0.352 -2.807 1.00 3.33 C ATOM 834 NZ LYS A 51 -9.253 0.485 -3.937 1.00 3.49 N ATOM 0 H LYS A 51 -5.104 -0.884 1.420 1.00 0.88 H new ATOM 0 HA LYS A 51 -4.624 -1.093 -1.332 1.00 1.13 H new ATOM 0 HB2 LYS A 51 -6.628 -1.914 -0.146 1.00 1.30 H new ATOM 0 HB3 LYS A 51 -7.098 -0.269 0.234 1.00 1.30 H new ATOM 0 HG2 LYS A 51 -6.853 -0.148 -2.533 1.00 1.72 H new ATOM 0 HG3 LYS A 51 -7.423 -1.788 -2.300 1.00 1.72 H new ATOM 0 HD2 LYS A 51 -9.242 -0.843 -0.759 1.00 2.87 H new ATOM 0 HD3 LYS A 51 -8.730 0.763 -1.239 1.00 2.87 H new ATOM 0 HE2 LYS A 51 -9.762 -1.389 -3.137 1.00 3.33 H new ATOM 0 HE3 LYS A 51 -10.711 -0.050 -2.523 1.00 3.33 H new ATOM 0 HZ1 LYS A 51 -10.038 1.087 -4.258 1.00 3.49 H new ATOM 0 HZ2 LYS A 51 -8.460 1.085 -3.631 1.00 3.49 H new ATOM 0 HZ3 LYS A 51 -8.943 -0.126 -4.720 1.00 3.49 H new ATOM 848 N GLU A 52 -5.430 1.934 -0.216 1.00 1.21 N ATOM 849 CA GLU A 52 -5.525 3.350 -0.508 1.00 1.48 C ATOM 850 C GLU A 52 -4.169 3.845 -1.006 1.00 1.53 C ATOM 851 O GLU A 52 -4.028 4.311 -2.133 1.00 1.65 O ATOM 852 CB GLU A 52 -5.967 4.065 0.782 1.00 1.55 C ATOM 853 CG GLU A 52 -7.075 5.078 0.547 1.00 2.18 C ATOM 854 CD GLU A 52 -6.641 6.183 -0.380 1.00 1.48 C ATOM 855 OE1 GLU A 52 -5.492 6.642 -0.234 1.00 2.58 O ATOM 856 OE2 GLU A 52 -7.479 6.631 -1.187 1.00 2.15 O ATOM 0 H GLU A 52 -5.695 1.707 0.742 1.00 1.21 H new ATOM 0 HA GLU A 52 -6.256 3.557 -1.290 1.00 1.48 H new ATOM 0 HB2 GLU A 52 -6.307 3.323 1.504 1.00 1.55 H new ATOM 0 HB3 GLU A 52 -5.108 4.570 1.224 1.00 1.55 H new ATOM 0 HG2 GLU A 52 -7.945 4.573 0.127 1.00 2.18 H new ATOM 0 HG3 GLU A 52 -7.384 5.505 1.501 1.00 2.18 H new ATOM 863 N ALA A 53 -3.165 3.678 -0.150 1.00 1.48 N ATOM 864 CA ALA A 53 -1.782 3.970 -0.450 1.00 1.57 C ATOM 865 C ALA A 53 -1.414 3.379 -1.810 1.00 1.66 C ATOM 866 O ALA A 53 -1.046 4.114 -2.719 1.00 1.91 O ATOM 867 CB ALA A 53 -0.921 3.412 0.686 1.00 1.47 C ATOM 0 H ALA A 53 -3.304 3.325 0.797 1.00 1.48 H new ATOM 0 HA ALA A 53 -1.609 5.044 -0.517 1.00 1.57 H new ATOM 0 HB1 ALA A 53 0.129 3.620 0.482 1.00 1.47 H new ATOM 0 HB2 ALA A 53 -1.209 3.883 1.626 1.00 1.47 H new ATOM 0 HB3 ALA A 53 -1.070 2.335 0.760 1.00 1.47 H new ATOM 873 N TYR A 54 -1.538 2.059 -1.953 1.00 1.52 N ATOM 874 CA TYR A 54 -1.142 1.342 -3.157 1.00 1.62 C ATOM 875 C TYR A 54 -1.858 1.863 -4.408 1.00 1.64 C ATOM 876 O TYR A 54 -1.268 1.885 -5.486 1.00 1.77 O ATOM 877 CB TYR A 54 -1.406 -0.160 -2.951 1.00 1.54 C ATOM 878 CG TYR A 54 -0.992 -1.116 -4.061 1.00 1.53 C ATOM 879 CD1 TYR A 54 0.149 -0.869 -4.848 1.00 2.72 C ATOM 880 CD2 TYR A 54 -1.688 -2.328 -4.226 1.00 1.68 C ATOM 881 CE1 TYR A 54 0.545 -1.794 -5.829 1.00 2.89 C ATOM 882 CE2 TYR A 54 -1.266 -3.267 -5.182 1.00 1.74 C ATOM 883 CZ TYR A 54 -0.192 -2.966 -6.031 1.00 1.85 C ATOM 884 OH TYR A 54 0.071 -3.781 -7.091 1.00 2.17 O ATOM 0 H TYR A 54 -1.921 1.455 -1.226 1.00 1.52 H new ATOM 0 HA TYR A 54 -0.078 1.510 -3.326 1.00 1.62 H new ATOM 0 HB2 TYR A 54 -0.896 -0.467 -2.038 1.00 1.54 H new ATOM 0 HB3 TYR A 54 -2.474 -0.291 -2.778 1.00 1.54 H new ATOM 0 HD1 TYR A 54 0.722 0.034 -4.697 1.00 2.72 H new ATOM 0 HD2 TYR A 54 -2.552 -2.538 -3.614 1.00 1.68 H new ATOM 0 HE1 TYR A 54 1.422 -1.599 -6.429 1.00 2.89 H new ATOM 0 HE2 TYR A 54 -1.768 -4.220 -5.263 1.00 1.74 H new ATOM 0 HH TYR A 54 1.020 -3.716 -7.326 1.00 2.17 H new ATOM 894 N GLU A 55 -3.137 2.231 -4.302 1.00 1.57 N ATOM 895 CA GLU A 55 -3.974 2.524 -5.426 1.00 1.49 C ATOM 896 C GLU A 55 -3.385 3.704 -6.213 1.00 1.43 C ATOM 897 O GLU A 55 -3.345 3.665 -7.443 1.00 1.49 O ATOM 898 CB GLU A 55 -5.382 2.693 -4.859 1.00 1.58 C ATOM 899 CG GLU A 55 -6.232 3.541 -5.767 1.00 1.51 C ATOM 900 CD GLU A 55 -7.701 3.293 -5.550 1.00 1.79 C ATOM 901 OE1 GLU A 55 -8.113 2.126 -5.732 1.00 2.44 O ATOM 902 OE2 GLU A 55 -8.442 4.229 -5.203 1.00 2.57 O ATOM 0 H GLU A 55 -3.612 2.330 -3.405 1.00 1.57 H new ATOM 0 HA GLU A 55 -4.028 1.737 -6.178 1.00 1.49 H new ATOM 0 HB2 GLU A 55 -5.846 1.715 -4.730 1.00 1.58 H new ATOM 0 HB3 GLU A 55 -5.328 3.153 -3.872 1.00 1.58 H new ATOM 0 HG2 GLU A 55 -6.011 4.594 -5.593 1.00 1.51 H new ATOM 0 HG3 GLU A 55 -5.977 3.330 -6.806 1.00 1.51 H new ATOM 909 N VAL A 56 -2.816 4.681 -5.506 1.00 1.38 N ATOM 910 CA VAL A 56 -2.188 5.834 -6.137 1.00 1.39 C ATOM 911 C VAL A 56 -1.001 5.335 -6.953 1.00 1.38 C ATOM 912 O VAL A 56 -0.800 5.765 -8.079 1.00 1.54 O ATOM 913 CB VAL A 56 -1.670 6.783 -5.039 1.00 1.44 C ATOM 914 CG1 VAL A 56 -0.890 7.975 -5.613 1.00 1.80 C ATOM 915 CG2 VAL A 56 -2.831 7.328 -4.210 1.00 1.34 C ATOM 0 H VAL A 56 -2.779 4.693 -4.487 1.00 1.38 H new ATOM 0 HA VAL A 56 -2.901 6.358 -6.773 1.00 1.39 H new ATOM 0 HB VAL A 56 -0.997 6.192 -4.418 1.00 1.44 H new ATOM 0 HG11 VAL A 56 -0.547 8.612 -4.798 1.00 1.80 H new ATOM 0 HG12 VAL A 56 -0.030 7.611 -6.175 1.00 1.80 H new ATOM 0 HG13 VAL A 56 -1.538 8.549 -6.275 1.00 1.80 H new ATOM 0 HG21 VAL A 56 -2.446 7.996 -3.440 1.00 1.34 H new ATOM 0 HG22 VAL A 56 -3.515 7.877 -4.858 1.00 1.34 H new ATOM 0 HG23 VAL A 56 -3.362 6.500 -3.740 1.00 1.34 H new ATOM 925 N LEU A 57 -0.202 4.440 -6.382 1.00 1.33 N ATOM 926 CA LEU A 57 1.086 4.037 -6.932 1.00 1.38 C ATOM 927 C LEU A 57 0.883 3.225 -8.203 1.00 1.57 C ATOM 928 O LEU A 57 1.660 3.302 -9.156 1.00 2.18 O ATOM 929 CB LEU A 57 1.904 3.302 -5.862 1.00 1.36 C ATOM 930 CG LEU A 57 1.809 3.971 -4.486 1.00 1.39 C ATOM 931 CD1 LEU A 57 2.722 3.278 -3.474 1.00 1.41 C ATOM 932 CD2 LEU A 57 2.094 5.472 -4.554 1.00 1.70 C ATOM 0 H LEU A 57 -0.436 3.967 -5.509 1.00 1.33 H new ATOM 0 HA LEU A 57 1.664 4.916 -7.218 1.00 1.38 H new ATOM 0 HB2 LEU A 57 1.555 2.272 -5.786 1.00 1.36 H new ATOM 0 HB3 LEU A 57 2.948 3.262 -6.172 1.00 1.36 H new ATOM 0 HG LEU A 57 0.780 3.859 -4.145 1.00 1.39 H new ATOM 0 HD11 LEU A 57 2.635 3.773 -2.507 1.00 1.41 H new ATOM 0 HD12 LEU A 57 2.428 2.233 -3.375 1.00 1.41 H new ATOM 0 HD13 LEU A 57 3.755 3.333 -3.818 1.00 1.41 H new ATOM 0 HD21 LEU A 57 2.015 5.903 -3.556 1.00 1.70 H new ATOM 0 HD22 LEU A 57 3.100 5.634 -4.941 1.00 1.70 H new ATOM 0 HD23 LEU A 57 1.370 5.950 -5.214 1.00 1.70 H new ATOM 944 N THR A 58 -0.221 2.489 -8.237 1.00 1.83 N ATOM 945 CA THR A 58 -0.626 1.781 -9.423 1.00 2.15 C ATOM 946 C THR A 58 -1.193 2.712 -10.492 1.00 2.49 C ATOM 947 O THR A 58 -1.287 2.303 -11.651 1.00 2.47 O ATOM 948 CB THR A 58 -1.568 0.659 -9.012 1.00 2.40 C ATOM 949 OG1 THR A 58 -2.657 1.123 -8.239 1.00 2.71 O ATOM 950 CG2 THR A 58 -0.769 -0.347 -8.181 1.00 2.08 C ATOM 0 H THR A 58 -0.851 2.373 -7.443 1.00 1.83 H new ATOM 0 HA THR A 58 0.243 1.334 -9.906 1.00 2.15 H new ATOM 0 HB THR A 58 -1.977 0.209 -9.916 1.00 2.40 H new ATOM 0 HG1 THR A 58 -2.652 2.103 -8.222 1.00 2.71 H new ATOM 0 HG21 THR A 58 -1.422 -1.164 -7.872 1.00 2.08 H new ATOM 0 HG22 THR A 58 0.051 -0.744 -8.780 1.00 2.08 H new ATOM 0 HG23 THR A 58 -0.366 0.149 -7.298 1.00 2.08 H new ATOM 958 N ASP A 59 -1.581 3.941 -10.148 1.00 2.99 N ATOM 959 CA ASP A 59 -1.740 5.000 -11.120 1.00 3.21 C ATOM 960 C ASP A 59 -0.364 5.643 -11.310 1.00 2.36 C ATOM 961 O ASP A 59 0.540 5.414 -10.517 1.00 2.64 O ATOM 962 CB ASP A 59 -2.897 5.915 -10.691 1.00 4.51 C ATOM 963 CG ASP A 59 -2.580 7.295 -10.136 1.00 4.99 C ATOM 964 OD1 ASP A 59 -1.812 8.054 -10.766 1.00 5.19 O ATOM 965 OD2 ASP A 59 -3.295 7.669 -9.179 1.00 5.99 O ATOM 0 H ASP A 59 -1.791 4.220 -9.190 1.00 2.99 H new ATOM 0 HA ASP A 59 -2.046 4.661 -12.110 1.00 3.21 H new ATOM 0 HB2 ASP A 59 -3.548 6.050 -11.555 1.00 4.51 H new ATOM 0 HB3 ASP A 59 -3.475 5.382 -9.936 1.00 4.51 H new ATOM 970 N SER A 60 -0.135 6.317 -12.429 1.00 2.61 N ATOM 971 CA SER A 60 1.159 6.908 -12.743 1.00 3.09 C ATOM 972 C SER A 60 1.101 8.428 -12.589 1.00 2.93 C ATOM 973 O SER A 60 2.142 9.075 -12.514 1.00 3.31 O ATOM 974 CB SER A 60 1.567 6.484 -14.155 1.00 4.35 C ATOM 975 OG SER A 60 2.970 6.533 -14.345 1.00 5.49 O ATOM 0 H SER A 60 -0.844 6.470 -13.147 1.00 2.61 H new ATOM 0 HA SER A 60 1.917 6.550 -12.046 1.00 3.09 H new ATOM 0 HB2 SER A 60 1.212 5.471 -14.345 1.00 4.35 H new ATOM 0 HB3 SER A 60 1.081 7.134 -14.882 1.00 4.35 H new ATOM 0 HG SER A 60 3.186 6.253 -15.259 1.00 5.49 H new ATOM 981 N GLN A 61 -0.092 9.015 -12.565 1.00 2.82 N ATOM 982 CA GLN A 61 -0.292 10.445 -12.597 1.00 3.12 C ATOM 983 C GLN A 61 -0.072 11.013 -11.197 1.00 2.78 C ATOM 984 O GLN A 61 0.871 11.769 -10.973 1.00 3.07 O ATOM 985 CB GLN A 61 -1.697 10.718 -13.149 1.00 3.70 C ATOM 986 CG GLN A 61 -2.141 12.159 -12.899 1.00 4.15 C ATOM 987 CD GLN A 61 -3.342 12.555 -13.755 1.00 5.29 C ATOM 988 OE1 GLN A 61 -4.461 12.670 -13.260 1.00 5.63 O ATOM 989 NE2 GLN A 61 -3.130 12.763 -15.049 1.00 6.45 N ATOM 0 H GLN A 61 -0.964 8.488 -12.522 1.00 2.82 H new ATOM 0 HA GLN A 61 0.424 10.942 -13.252 1.00 3.12 H new ATOM 0 HB2 GLN A 61 -1.711 10.515 -14.220 1.00 3.70 H new ATOM 0 HB3 GLN A 61 -2.408 10.034 -12.685 1.00 3.70 H new ATOM 0 HG2 GLN A 61 -2.393 12.281 -11.846 1.00 4.15 H new ATOM 0 HG3 GLN A 61 -1.311 12.834 -13.108 1.00 4.15 H new ATOM 0 HE21 GLN A 61 -2.191 12.661 -15.435 1.00 6.45 H new ATOM 0 HE22 GLN A 61 -3.906 13.025 -15.657 1.00 6.45 H new ATOM 998 N LYS A 62 -0.935 10.662 -10.243 1.00 2.51 N ATOM 999 CA LYS A 62 -0.773 11.158 -8.882 1.00 2.45 C ATOM 1000 C LYS A 62 0.503 10.572 -8.289 1.00 1.88 C ATOM 1001 O LYS A 62 1.193 11.238 -7.524 1.00 2.41 O ATOM 1002 CB LYS A 62 -1.981 10.814 -8.011 1.00 2.92 C ATOM 1003 CG LYS A 62 -3.240 11.562 -8.467 1.00 3.78 C ATOM 1004 CD LYS A 62 -4.252 10.555 -9.012 1.00 4.12 C ATOM 1005 CE LYS A 62 -5.560 11.222 -9.448 1.00 4.88 C ATOM 1006 NZ LYS A 62 -5.443 11.963 -10.722 1.00 6.65 N ATOM 0 H LYS A 62 -1.737 10.048 -10.385 1.00 2.51 H new ATOM 0 HA LYS A 62 -0.699 12.245 -8.911 1.00 2.45 H new ATOM 0 HB2 LYS A 62 -2.162 9.740 -8.048 1.00 2.92 H new ATOM 0 HB3 LYS A 62 -1.764 11.065 -6.973 1.00 2.92 H new ATOM 0 HG2 LYS A 62 -3.672 12.114 -7.632 1.00 3.78 H new ATOM 0 HG3 LYS A 62 -2.986 12.292 -9.235 1.00 3.78 H new ATOM 0 HD2 LYS A 62 -3.816 10.028 -9.860 1.00 4.12 H new ATOM 0 HD3 LYS A 62 -4.465 9.808 -8.248 1.00 4.12 H new ATOM 0 HE2 LYS A 62 -6.332 10.460 -9.549 1.00 4.88 H new ATOM 0 HE3 LYS A 62 -5.889 11.907 -8.666 1.00 4.88 H new ATOM 0 HZ1 LYS A 62 -6.320 11.852 -11.270 1.00 6.65 H new ATOM 0 HZ2 LYS A 62 -5.284 12.971 -10.524 1.00 6.65 H new ATOM 0 HZ3 LYS A 62 -4.643 11.588 -11.270 1.00 6.65 H new ATOM 1020 N ARG A 63 0.819 9.340 -8.675 1.00 1.41 N ATOM 1021 CA ARG A 63 2.064 8.683 -8.309 1.00 1.34 C ATOM 1022 C ARG A 63 3.237 9.566 -8.700 1.00 1.40 C ATOM 1023 O ARG A 63 4.030 9.946 -7.846 1.00 1.86 O ATOM 1024 CB ARG A 63 2.108 7.330 -9.013 1.00 1.97 C ATOM 1025 CG ARG A 63 3.439 6.564 -9.065 1.00 2.66 C ATOM 1026 CD ARG A 63 4.078 6.329 -7.688 1.00 2.48 C ATOM 1027 NE ARG A 63 4.672 4.977 -7.606 1.00 3.34 N ATOM 1028 CZ ARG A 63 5.799 4.625 -6.963 1.00 3.79 C ATOM 1029 NH1 ARG A 63 6.542 5.533 -6.323 1.00 4.03 N ATOM 1030 NH2 ARG A 63 6.173 3.347 -6.973 1.00 4.77 N ATOM 0 H ARG A 63 0.210 8.765 -9.257 1.00 1.41 H new ATOM 0 HA ARG A 63 2.125 8.521 -7.233 1.00 1.34 H new ATOM 0 HB2 ARG A 63 1.374 6.684 -8.531 1.00 1.97 H new ATOM 0 HB3 ARG A 63 1.774 7.481 -10.040 1.00 1.97 H new ATOM 0 HG2 ARG A 63 3.273 5.600 -9.547 1.00 2.66 H new ATOM 0 HG3 ARG A 63 4.140 7.117 -9.690 1.00 2.66 H new ATOM 0 HD2 ARG A 63 4.847 7.080 -7.506 1.00 2.48 H new ATOM 0 HD3 ARG A 63 3.326 6.448 -6.908 1.00 2.48 H new ATOM 0 HE ARG A 63 4.172 4.231 -8.090 1.00 3.34 H new ATOM 0 HH11 ARG A 63 6.257 6.512 -6.317 1.00 4.03 H new ATOM 0 HH12 ARG A 63 7.394 5.247 -5.841 1.00 4.03 H new ATOM 0 HH21 ARG A 63 5.607 2.654 -7.463 1.00 4.77 H new ATOM 0 HH22 ARG A 63 7.025 3.061 -6.491 1.00 4.77 H new ATOM 1044 N ALA A 64 3.374 9.896 -9.984 1.00 1.86 N ATOM 1045 CA ALA A 64 4.493 10.700 -10.434 1.00 2.10 C ATOM 1046 C ALA A 64 4.462 12.088 -9.807 1.00 1.86 C ATOM 1047 O ALA A 64 5.509 12.595 -9.408 1.00 2.08 O ATOM 1048 CB ALA A 64 4.499 10.789 -11.958 1.00 2.66 C ATOM 0 H ALA A 64 2.726 9.618 -10.721 1.00 1.86 H new ATOM 0 HA ALA A 64 5.414 10.215 -10.111 1.00 2.10 H new ATOM 0 HB1 ALA A 64 5.344 11.395 -12.284 1.00 2.66 H new ATOM 0 HB2 ALA A 64 4.586 9.788 -12.381 1.00 2.66 H new ATOM 0 HB3 ALA A 64 3.571 11.247 -12.299 1.00 2.66 H new ATOM 1054 N ALA A 65 3.287 12.702 -9.705 1.00 1.78 N ATOM 1055 CA ALA A 65 3.161 13.997 -9.067 1.00 1.94 C ATOM 1056 C ALA A 65 3.755 13.952 -7.668 1.00 1.91 C ATOM 1057 O ALA A 65 4.554 14.814 -7.281 1.00 2.24 O ATOM 1058 CB ALA A 65 1.692 14.430 -9.016 1.00 2.24 C ATOM 0 H ALA A 65 2.410 12.318 -10.058 1.00 1.78 H new ATOM 0 HA ALA A 65 3.712 14.731 -9.655 1.00 1.94 H new ATOM 0 HB1 ALA A 65 1.616 15.405 -8.534 1.00 2.24 H new ATOM 0 HB2 ALA A 65 1.296 14.495 -10.030 1.00 2.24 H new ATOM 0 HB3 ALA A 65 1.117 13.699 -8.448 1.00 2.24 H new ATOM 1064 N TYR A 66 3.345 12.955 -6.890 1.00 1.73 N ATOM 1065 CA TYR A 66 3.794 12.853 -5.526 1.00 2.04 C ATOM 1066 C TYR A 66 5.285 12.552 -5.492 1.00 2.48 C ATOM 1067 O TYR A 66 6.026 13.228 -4.777 1.00 3.01 O ATOM 1068 CB TYR A 66 2.976 11.846 -4.717 1.00 1.94 C ATOM 1069 CG TYR A 66 3.010 12.207 -3.247 1.00 2.58 C ATOM 1070 CD1 TYR A 66 4.204 12.066 -2.516 1.00 3.28 C ATOM 1071 CD2 TYR A 66 1.977 13.011 -2.738 1.00 3.23 C ATOM 1072 CE1 TYR A 66 4.413 12.828 -1.352 1.00 4.06 C ATOM 1073 CE2 TYR A 66 2.180 13.760 -1.568 1.00 4.12 C ATOM 1074 CZ TYR A 66 3.394 13.665 -0.872 1.00 4.34 C ATOM 1075 OH TYR A 66 3.551 14.379 0.272 1.00 5.30 O ATOM 0 H TYR A 66 2.707 12.217 -7.187 1.00 1.73 H new ATOM 0 HA TYR A 66 3.631 13.815 -5.041 1.00 2.04 H new ATOM 0 HB2 TYR A 66 1.946 11.834 -5.072 1.00 1.94 H new ATOM 0 HB3 TYR A 66 3.375 10.842 -4.862 1.00 1.94 H new ATOM 0 HD1 TYR A 66 4.961 11.372 -2.849 1.00 3.28 H new ATOM 0 HD2 TYR A 66 1.025 13.053 -3.247 1.00 3.23 H new ATOM 0 HE1 TYR A 66 5.356 12.769 -0.829 1.00 4.06 H new ATOM 0 HE2 TYR A 66 1.399 14.411 -1.203 1.00 4.12 H new ATOM 0 HH TYR A 66 2.740 14.902 0.445 1.00 5.30 H new ATOM 1085 N ASP A 67 5.735 11.568 -6.274 1.00 2.50 N ATOM 1086 CA ASP A 67 7.119 11.148 -6.291 1.00 3.24 C ATOM 1087 C ASP A 67 7.996 12.357 -6.613 1.00 3.58 C ATOM 1088 O ASP A 67 9.018 12.560 -5.966 1.00 4.28 O ATOM 1089 CB ASP A 67 7.302 10.031 -7.327 1.00 3.38 C ATOM 1090 CG ASP A 67 7.338 8.630 -6.748 1.00 4.52 C ATOM 1091 OD1 ASP A 67 6.521 8.264 -5.874 1.00 5.29 O ATOM 1092 OD2 ASP A 67 8.184 7.854 -7.238 1.00 5.34 O ATOM 0 H ASP A 67 5.138 11.043 -6.913 1.00 2.50 H new ATOM 0 HA ASP A 67 7.412 10.754 -5.318 1.00 3.24 H new ATOM 0 HB2 ASP A 67 6.490 10.089 -8.052 1.00 3.38 H new ATOM 0 HB3 ASP A 67 8.229 10.208 -7.872 1.00 3.38 H new ATOM 1097 N GLN A 68 7.591 13.174 -7.586 1.00 3.25 N ATOM 1098 CA GLN A 68 8.332 14.349 -7.966 1.00 3.71 C ATOM 1099 C GLN A 68 8.387 15.312 -6.780 1.00 4.13 C ATOM 1100 O GLN A 68 9.470 15.629 -6.285 1.00 4.98 O ATOM 1101 CB GLN A 68 7.670 15.001 -9.190 1.00 3.35 C ATOM 1102 CG GLN A 68 8.586 16.080 -9.766 1.00 3.65 C ATOM 1103 CD GLN A 68 7.806 17.151 -10.519 1.00 3.28 C ATOM 1104 OE1 GLN A 68 7.743 18.301 -10.086 1.00 3.87 O ATOM 1105 NE2 GLN A 68 7.160 16.779 -11.617 1.00 3.51 N ATOM 0 H GLN A 68 6.738 13.028 -8.125 1.00 3.25 H new ATOM 0 HA GLN A 68 9.353 14.081 -8.239 1.00 3.71 H new ATOM 0 HB2 GLN A 68 7.463 14.245 -9.948 1.00 3.35 H new ATOM 0 HB3 GLN A 68 6.713 15.438 -8.906 1.00 3.35 H new ATOM 0 HG2 GLN A 68 9.151 16.544 -8.958 1.00 3.65 H new ATOM 0 HG3 GLN A 68 9.310 15.619 -10.438 1.00 3.65 H new ATOM 0 HE21 GLN A 68 7.233 15.818 -11.950 1.00 3.51 H new ATOM 0 HE22 GLN A 68 6.591 17.454 -12.127 1.00 3.51 H new ATOM 1114 N TYR A 69 7.224 15.834 -6.383 1.00 3.74 N ATOM 1115 CA TYR A 69 7.160 17.060 -5.588 1.00 4.31 C ATOM 1116 C TYR A 69 6.307 16.941 -4.334 1.00 4.55 C ATOM 1117 O TYR A 69 6.475 17.737 -3.419 1.00 5.67 O ATOM 1118 CB TYR A 69 6.680 18.238 -6.464 1.00 4.33 C ATOM 1119 CG TYR A 69 7.656 19.397 -6.568 1.00 4.95 C ATOM 1120 CD1 TYR A 69 8.970 19.167 -7.012 1.00 5.89 C ATOM 1121 CD2 TYR A 69 7.240 20.714 -6.290 1.00 5.35 C ATOM 1122 CE1 TYR A 69 9.865 20.239 -7.158 1.00 6.69 C ATOM 1123 CE2 TYR A 69 8.134 21.787 -6.450 1.00 6.41 C ATOM 1124 CZ TYR A 69 9.453 21.549 -6.873 1.00 6.87 C ATOM 1125 OH TYR A 69 10.311 22.580 -7.109 1.00 7.96 O ATOM 0 H TYR A 69 6.315 15.426 -6.600 1.00 3.74 H new ATOM 0 HA TYR A 69 8.175 17.248 -5.237 1.00 4.31 H new ATOM 0 HB2 TYR A 69 6.473 17.865 -7.467 1.00 4.33 H new ATOM 0 HB3 TYR A 69 5.738 18.610 -6.062 1.00 4.33 H new ATOM 0 HD1 TYR A 69 9.292 18.162 -7.242 1.00 5.89 H new ATOM 0 HD2 TYR A 69 6.231 20.900 -5.953 1.00 5.35 H new ATOM 0 HE1 TYR A 69 10.875 20.054 -7.491 1.00 6.69 H new ATOM 0 HE2 TYR A 69 7.807 22.796 -6.248 1.00 6.41 H new ATOM 0 HH TYR A 69 9.882 23.426 -6.863 1.00 7.96 H new ATOM 1135 N GLY A 70 5.324 16.048 -4.296 1.00 3.78 N ATOM 1136 CA GLY A 70 4.417 15.915 -3.153 1.00 4.13 C ATOM 1137 C GLY A 70 3.414 17.055 -2.943 1.00 4.35 C ATOM 1138 O GLY A 70 2.312 16.854 -2.428 1.00 4.72 O ATOM 0 H GLY A 70 5.130 15.394 -5.055 1.00 3.78 H new ATOM 0 HA2 GLY A 70 3.859 14.985 -3.266 1.00 4.13 H new ATOM 0 HA3 GLY A 70 5.018 15.818 -2.249 1.00 4.13 H new ATOM 1142 N HIS A 71 3.797 18.257 -3.339 1.00 4.98 N ATOM 1143 CA HIS A 71 3.171 19.535 -3.105 1.00 5.75 C ATOM 1144 C HIS A 71 3.400 20.344 -4.372 1.00 5.97 C ATOM 1145 O HIS A 71 4.263 21.214 -4.434 1.00 7.36 O ATOM 1146 CB HIS A 71 3.764 20.218 -1.868 1.00 7.05 C ATOM 1147 CG HIS A 71 3.158 19.729 -0.579 1.00 7.50 C ATOM 1148 ND1 HIS A 71 2.165 20.369 0.126 1.00 7.96 N ATOM 1149 CD2 HIS A 71 3.393 18.526 0.031 1.00 8.04 C ATOM 1150 CE1 HIS A 71 1.800 19.561 1.134 1.00 8.71 C ATOM 1151 NE2 HIS A 71 2.509 18.419 1.108 1.00 8.79 N ATOM 0 H HIS A 71 4.647 18.366 -3.892 1.00 4.98 H new ATOM 0 HA HIS A 71 2.105 19.435 -2.899 1.00 5.75 H new ATOM 0 HB2 HIS A 71 4.840 20.046 -1.845 1.00 7.05 H new ATOM 0 HB3 HIS A 71 3.615 21.295 -1.948 1.00 7.05 H new ATOM 0 HD2 HIS A 71 4.128 17.793 -0.266 1.00 8.04 H new ATOM 0 HE1 HIS A 71 1.041 19.796 1.865 1.00 8.71 H new ATOM 0 HE2 HIS A 71 2.419 17.630 1.748 1.00 8.79 H new ATOM 1159 N ALA A 72 2.626 19.986 -5.392 1.00 5.01 N ATOM 1160 CA ALA A 72 2.301 20.792 -6.554 1.00 5.38 C ATOM 1161 C ALA A 72 3.291 20.591 -7.697 1.00 5.53 C ATOM 1162 O ALA A 72 3.948 21.521 -8.154 1.00 6.34 O ATOM 1163 CB ALA A 72 2.162 22.247 -6.132 1.00 6.37 C ATOM 0 H ALA A 72 2.184 19.067 -5.427 1.00 5.01 H new ATOM 0 HA ALA A 72 1.343 20.462 -6.957 1.00 5.38 H new ATOM 0 HB1 ALA A 72 1.918 22.856 -7.002 1.00 6.37 H new ATOM 0 HB2 ALA A 72 1.367 22.337 -5.391 1.00 6.37 H new ATOM 0 HB3 ALA A 72 3.101 22.592 -5.700 1.00 6.37 H new ATOM 1169 N ALA A 73 3.401 19.355 -8.180 1.00 5.24 N ATOM 1170 CA ALA A 73 4.256 19.032 -9.314 1.00 5.98 C ATOM 1171 C ALA A 73 3.732 19.713 -10.580 1.00 7.02 C ATOM 1172 O ALA A 73 4.412 20.540 -11.187 1.00 8.00 O ATOM 1173 CB ALA A 73 4.305 17.516 -9.495 1.00 5.48 C ATOM 0 H ALA A 73 2.901 18.554 -7.796 1.00 5.24 H new ATOM 0 HA ALA A 73 5.265 19.398 -9.126 1.00 5.98 H new ATOM 0 HB1 ALA A 73 4.944 17.271 -10.343 1.00 5.48 H new ATOM 0 HB2 ALA A 73 4.707 17.055 -8.593 1.00 5.48 H new ATOM 0 HB3 ALA A 73 3.299 17.139 -9.678 1.00 5.48 H new ATOM 1179 N PHE A 74 2.518 19.366 -10.992 1.00 7.22 N ATOM 1180 CA PHE A 74 1.931 19.744 -12.272 1.00 8.61 C ATOM 1181 C PHE A 74 1.263 21.123 -12.189 1.00 9.14 C ATOM 1182 O PHE A 74 0.236 21.358 -12.819 1.00 9.92 O ATOM 1183 CB PHE A 74 0.951 18.637 -12.704 1.00 8.75 C ATOM 1184 CG PHE A 74 -0.138 18.299 -11.695 1.00 8.33 C ATOM 1185 CD1 PHE A 74 0.118 17.428 -10.617 1.00 8.60 C ATOM 1186 CD2 PHE A 74 -1.399 18.910 -11.805 1.00 8.52 C ATOM 1187 CE1 PHE A 74 -0.838 17.263 -9.599 1.00 9.03 C ATOM 1188 CE2 PHE A 74 -2.366 18.717 -10.807 1.00 8.86 C ATOM 1189 CZ PHE A 74 -2.072 17.927 -9.685 1.00 9.11 C ATOM 0 H PHE A 74 1.894 18.794 -10.424 1.00 7.22 H new ATOM 0 HA PHE A 74 2.709 19.836 -13.030 1.00 8.61 H new ATOM 0 HB2 PHE A 74 0.477 18.939 -13.638 1.00 8.75 H new ATOM 0 HB3 PHE A 74 1.521 17.732 -12.915 1.00 8.75 H new ATOM 0 HD1 PHE A 74 1.051 16.886 -10.573 1.00 8.60 H new ATOM 0 HD2 PHE A 74 -1.624 19.530 -12.660 1.00 8.52 H new ATOM 0 HE1 PHE A 74 -0.623 16.627 -8.753 1.00 9.03 H new ATOM 0 HE2 PHE A 74 -3.338 19.177 -10.902 1.00 8.86 H new ATOM 0 HZ PHE A 74 -2.795 17.830 -8.888 1.00 9.11 H new ATOM 1199 N GLU A 75 1.843 22.036 -11.410 1.00 9.04 N ATOM 1200 CA GLU A 75 1.216 23.279 -10.975 1.00 9.60 C ATOM 1201 C GLU A 75 1.959 24.497 -11.544 1.00 10.93 C ATOM 1202 O GLU A 75 1.881 25.583 -10.972 1.00 11.51 O ATOM 1203 CB GLU A 75 1.192 23.288 -9.435 1.00 8.73 C ATOM 1204 CG GLU A 75 0.015 24.084 -8.841 1.00 9.00 C ATOM 1205 CD GLU A 75 -1.289 23.317 -8.779 1.00 9.59 C ATOM 1206 OE1 GLU A 75 -1.284 22.079 -8.925 1.00 9.71 O ATOM 1207 OE2 GLU A 75 -2.332 23.979 -8.588 1.00 10.38 O ATOM 0 H GLU A 75 2.792 21.925 -11.054 1.00 9.04 H new ATOM 0 HA GLU A 75 0.195 23.340 -11.352 1.00 9.60 H new ATOM 0 HB2 GLU A 75 1.143 22.260 -9.075 1.00 8.73 H new ATOM 0 HB3 GLU A 75 2.127 23.710 -9.068 1.00 8.73 H new ATOM 0 HG2 GLU A 75 0.281 24.407 -7.834 1.00 9.00 H new ATOM 0 HG3 GLU A 75 -0.135 24.985 -9.435 1.00 9.00 H new ATOM 1214 N GLN A 76 2.794 24.301 -12.564 1.00 11.62 N ATOM 1215 CA GLN A 76 3.669 25.307 -13.109 1.00 13.08 C ATOM 1216 C GLN A 76 2.871 26.538 -13.537 1.00 13.88 C ATOM 1217 O GLN A 76 1.955 26.388 -14.366 1.00 14.12 O ATOM 1218 CB GLN A 76 4.363 24.675 -14.307 1.00 14.10 C ATOM 1219 CG GLN A 76 5.293 23.516 -13.930 1.00 14.51 C ATOM 1220 CD GLN A 76 5.970 22.943 -15.167 1.00 16.02 C ATOM 1221 OE1 GLN A 76 5.961 23.544 -16.237 1.00 16.93 O ATOM 1222 NE2 GLN A 76 6.539 21.754 -15.056 1.00 16.57 N ATOM 1223 OXT GLN A 76 3.007 27.597 -12.892 1.00 14.33 O ATOM 0 H GLN A 76 2.873 23.403 -13.041 1.00 11.62 H new ATOM 0 HA GLN A 76 4.395 25.639 -12.367 1.00 13.08 H new ATOM 0 HB2 GLN A 76 3.608 24.313 -15.005 1.00 14.10 H new ATOM 0 HB3 GLN A 76 4.940 25.439 -14.828 1.00 14.10 H new ATOM 0 HG2 GLN A 76 6.048 23.864 -13.225 1.00 14.51 H new ATOM 0 HG3 GLN A 76 4.723 22.735 -13.427 1.00 14.51 H new ATOM 0 HE21 GLN A 76 6.537 21.269 -14.159 1.00 16.57 H new ATOM 0 HE22 GLN A 76 6.980 21.322 -15.868 1.00 16.57 H new TER 1232 GLN A 76