USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 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 :FLIP amide:sc= -0.0182 F(o=-0.53,f=-0.018) USER MOD Single : A 1 GLN N :NH3+ 174:sc= -0.541 (180deg=-0.692) 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 -34:sc= 1.24 USER MOD Single : A 9 SER OG : rot -30:sc= -0.126 USER MOD Single : A 13 THR OG1 : rot -26:sc= 0.185 USER MOD Single : A 14 ASN : amide:sc= -4.89! C(o=-4.9!,f=-8.9!) 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= 0.0355 USER MOD Single : A 32 HIS : no HE2:sc= 0.418 K(o=0.42,f=-4.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 39 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 139:sc= -5.91! (180deg=-9.89!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.035 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.26! C(o=-2.3!,f=-2.9!) USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= -2.96 (180deg=-4.47!) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= -0.502 (180deg=-0.637) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 0.715 0.436 -1.024 1.00 53.15 N ATOM 2 CA GLN A 1 1.825 0.145 -1.923 1.00 43.13 C ATOM 3 C GLN A 1 1.729 -1.277 -2.465 1.00 73.32 C ATOM 4 O GLN A 1 1.995 -1.523 -3.642 1.00 21.42 O ATOM 5 CB GLN A 1 3.159 0.338 -1.199 1.00 51.34 C ATOM 6 CG GLN A 1 3.282 -0.477 0.078 1.00 55.21 C ATOM 7 CD GLN A 1 4.512 -0.114 0.886 1.00 60.23 C ATOM 8 OE1 GLN A 1 5.656 -0.032 0.217 1.00 63.14 O flip ATOM 9 NE2 GLN A 1 4.435 0.090 2.098 1.00 24.32 N flip ATOM 0 H1 GLN A 1 0.856 1.370 -0.590 1.00 53.15 H new ATOM 0 H2 GLN A 1 -0.176 0.434 -1.561 1.00 53.15 H new ATOM 0 H3 GLN A 1 0.672 -0.289 -0.279 1.00 53.15 H new ATOM 0 HA GLN A 1 1.771 0.838 -2.762 1.00 43.13 H new ATOM 0 HB2 GLN A 1 3.971 0.066 -1.873 1.00 51.34 H new ATOM 0 HB3 GLN A 1 3.283 1.394 -0.959 1.00 51.34 H new ATOM 0 HG2 GLN A 1 2.392 -0.324 0.689 1.00 55.21 H new ATOM 0 HG3 GLN A 1 3.317 -1.537 -0.174 1.00 55.21 H new ATOM 0 HE21 GLN A 1 3.535 0.016 2.571 1.00 24.32 H new ATOM 0 HE22 GLN A 1 5.272 0.333 2.628 1.00 24.32 H new ATOM 18 N TYR A 2 1.347 -2.210 -1.600 1.00 12.12 N ATOM 19 CA TYR A 2 1.218 -3.609 -1.991 1.00 12.40 C ATOM 20 C TYR A 2 0.182 -4.322 -1.127 1.00 63.54 C ATOM 21 O TYR A 2 -0.462 -3.710 -0.276 1.00 33.33 O ATOM 22 CB TYR A 2 2.568 -4.318 -1.879 1.00 3.14 C ATOM 23 CG TYR A 2 3.531 -3.966 -2.990 1.00 63.30 C ATOM 24 CD1 TYR A 2 3.381 -4.504 -4.262 1.00 51.44 C ATOM 25 CD2 TYR A 2 4.591 -3.096 -2.768 1.00 2.33 C ATOM 26 CE1 TYR A 2 4.259 -4.186 -5.280 1.00 52.44 C ATOM 27 CE2 TYR A 2 5.473 -2.771 -3.780 1.00 42.12 C ATOM 28 CZ TYR A 2 5.303 -3.319 -5.035 1.00 1.25 C ATOM 29 OH TYR A 2 6.179 -2.998 -6.046 1.00 60.44 O ATOM 0 H TYR A 2 1.121 -2.023 -0.623 1.00 12.12 H new ATOM 0 HA TYR A 2 0.884 -3.641 -3.028 1.00 12.40 H new ATOM 0 HB2 TYR A 2 3.023 -4.065 -0.921 1.00 3.14 H new ATOM 0 HB3 TYR A 2 2.404 -5.396 -1.880 1.00 3.14 H new ATOM 0 HD1 TYR A 2 2.564 -5.182 -4.458 1.00 51.44 H new ATOM 0 HD2 TYR A 2 4.728 -2.666 -1.787 1.00 2.33 H new ATOM 0 HE1 TYR A 2 4.128 -4.614 -6.263 1.00 52.44 H new ATOM 0 HE2 TYR A 2 6.291 -2.092 -3.590 1.00 42.12 H new ATOM 0 HH TYR A 2 6.855 -2.375 -5.707 1.00 60.44 H new ATOM 39 N LYS A 3 0.029 -5.623 -1.353 1.00 55.23 N ATOM 40 CA LYS A 3 -0.926 -6.424 -0.596 1.00 53.34 C ATOM 41 C LYS A 3 -0.206 -7.436 0.289 1.00 53.20 C ATOM 42 O LYS A 3 0.591 -8.241 -0.194 1.00 54.32 O ATOM 43 CB LYS A 3 -1.881 -7.150 -1.547 1.00 1.30 C ATOM 44 CG LYS A 3 -3.045 -7.824 -0.842 1.00 22.41 C ATOM 45 CD LYS A 3 -4.200 -8.084 -1.795 1.00 5.30 C ATOM 46 CE LYS A 3 -5.182 -6.922 -1.810 1.00 24.42 C ATOM 47 NZ LYS A 3 -6.080 -6.941 -0.622 1.00 50.43 N ATOM 0 H LYS A 3 0.554 -6.145 -2.054 1.00 55.23 H new ATOM 0 HA LYS A 3 -1.500 -5.753 0.043 1.00 53.34 H new ATOM 0 HB2 LYS A 3 -2.271 -6.436 -2.272 1.00 1.30 H new ATOM 0 HB3 LYS A 3 -1.322 -7.900 -2.107 1.00 1.30 H new ATOM 0 HG2 LYS A 3 -2.712 -8.766 -0.407 1.00 22.41 H new ATOM 0 HG3 LYS A 3 -3.386 -7.196 -0.019 1.00 22.41 H new ATOM 0 HD2 LYS A 3 -3.813 -8.248 -2.801 1.00 5.30 H new ATOM 0 HD3 LYS A 3 -4.718 -8.996 -1.500 1.00 5.30 H new ATOM 0 HE2 LYS A 3 -4.632 -5.981 -1.835 1.00 24.42 H new ATOM 0 HE3 LYS A 3 -5.781 -6.964 -2.719 1.00 24.42 H new ATOM 0 HZ1 LYS A 3 -6.734 -6.134 -0.668 1.00 50.43 H new ATOM 0 HZ2 LYS A 3 -6.624 -7.827 -0.612 1.00 50.43 H new ATOM 0 HZ3 LYS A 3 -5.510 -6.875 0.245 1.00 50.43 H new ATOM 61 N ILE A 4 -0.493 -7.390 1.586 1.00 60.24 N ATOM 62 CA ILE A 4 0.126 -8.305 2.537 1.00 74.22 C ATOM 63 C ILE A 4 -0.333 -9.740 2.298 1.00 51.33 C ATOM 64 O ILE A 4 -1.413 -10.138 2.735 1.00 61.32 O ATOM 65 CB ILE A 4 -0.198 -7.910 3.990 1.00 61.22 C ATOM 66 CG1 ILE A 4 0.177 -6.448 4.239 1.00 13.22 C ATOM 67 CG2 ILE A 4 0.534 -8.823 4.962 1.00 33.23 C ATOM 68 CD1 ILE A 4 1.647 -6.157 4.033 1.00 53.13 C ATOM 0 H ILE A 4 -1.150 -6.729 2.002 1.00 60.24 H new ATOM 0 HA ILE A 4 1.203 -8.240 2.382 1.00 74.22 H new ATOM 0 HB ILE A 4 -1.270 -8.023 4.152 1.00 61.22 H new ATOM 0 HG12 ILE A 4 -0.407 -5.813 3.573 1.00 13.22 H new ATOM 0 HG13 ILE A 4 -0.099 -6.179 5.259 1.00 13.22 H new ATOM 0 HG21 ILE A 4 0.295 -8.532 5.985 1.00 33.23 H new ATOM 0 HG22 ILE A 4 0.223 -9.855 4.797 1.00 33.23 H new ATOM 0 HG23 ILE A 4 1.609 -8.738 4.802 1.00 33.23 H new ATOM 0 HD11 ILE A 4 1.840 -5.102 4.227 1.00 53.13 H new ATOM 0 HD12 ILE A 4 2.238 -6.766 4.718 1.00 53.13 H new ATOM 0 HD13 ILE A 4 1.924 -6.394 3.006 1.00 53.13 H new ATOM 80 N TYR A 5 0.495 -10.511 1.603 1.00 70.54 N ATOM 81 CA TYR A 5 0.174 -11.902 1.305 1.00 65.34 C ATOM 82 C TYR A 5 0.668 -12.825 2.415 1.00 33.00 C ATOM 83 O TYR A 5 1.534 -12.469 3.214 1.00 64.41 O ATOM 84 CB TYR A 5 0.795 -12.316 -0.031 1.00 4.23 C ATOM 85 CG TYR A 5 -0.093 -12.040 -1.223 1.00 31.43 C ATOM 86 CD1 TYR A 5 -1.409 -12.486 -1.251 1.00 10.35 C ATOM 87 CD2 TYR A 5 0.383 -11.336 -2.321 1.00 63.14 C ATOM 88 CE1 TYR A 5 -2.224 -12.237 -2.338 1.00 34.23 C ATOM 89 CE2 TYR A 5 -0.425 -11.082 -3.412 1.00 52.41 C ATOM 90 CZ TYR A 5 -1.728 -11.534 -3.416 1.00 31.33 C ATOM 91 OH TYR A 5 -2.536 -11.284 -4.501 1.00 34.10 O ATOM 0 H TYR A 5 1.393 -10.197 1.235 1.00 70.54 H new ATOM 0 HA TYR A 5 -0.910 -11.991 1.238 1.00 65.34 H new ATOM 0 HB2 TYR A 5 1.739 -11.788 -0.162 1.00 4.23 H new ATOM 0 HB3 TYR A 5 1.027 -13.381 0.000 1.00 4.23 H new ATOM 0 HD1 TYR A 5 -1.801 -13.037 -0.409 1.00 10.35 H new ATOM 0 HD2 TYR A 5 1.403 -10.981 -2.322 1.00 63.14 H new ATOM 0 HE1 TYR A 5 -3.244 -12.591 -2.344 1.00 34.23 H new ATOM 0 HE2 TYR A 5 -0.038 -10.532 -4.258 1.00 52.41 H new ATOM 0 HH TYR A 5 -3.468 -11.217 -4.206 1.00 34.10 H new ATOM 101 N PRO A 6 0.103 -14.041 2.467 1.00 1.41 N ATOM 102 CA PRO A 6 0.470 -15.041 3.474 1.00 74.23 C ATOM 103 C PRO A 6 1.874 -15.595 3.256 1.00 14.12 C ATOM 104 O PRO A 6 2.289 -15.832 2.122 1.00 60.03 O ATOM 105 CB PRO A 6 -0.576 -16.142 3.277 1.00 42.12 C ATOM 106 CG PRO A 6 -1.012 -16.001 1.859 1.00 1.13 C ATOM 107 CD PRO A 6 -0.936 -14.532 1.547 1.00 53.01 C ATOM 0 HA PRO A 6 0.483 -14.621 4.480 1.00 74.23 H new ATOM 0 HB2 PRO A 6 -0.152 -17.129 3.465 1.00 42.12 H new ATOM 0 HB3 PRO A 6 -1.414 -16.019 3.963 1.00 42.12 H new ATOM 0 HG2 PRO A 6 -0.367 -16.575 1.194 1.00 1.13 H new ATOM 0 HG3 PRO A 6 -2.026 -16.377 1.723 1.00 1.13 H new ATOM 0 HD2 PRO A 6 -0.666 -14.356 0.506 1.00 53.01 H new ATOM 0 HD3 PRO A 6 -1.891 -14.035 1.717 1.00 53.01 H new ATOM 115 N TYR A 7 2.600 -15.799 4.350 1.00 73.34 N ATOM 116 CA TYR A 7 3.958 -16.324 4.278 1.00 44.42 C ATOM 117 C TYR A 7 3.951 -17.814 3.950 1.00 53.43 C ATOM 118 O TYR A 7 4.860 -18.321 3.292 1.00 11.44 O ATOM 119 CB TYR A 7 4.690 -16.085 5.600 1.00 41.13 C ATOM 120 CG TYR A 7 6.063 -16.716 5.654 1.00 1.23 C ATOM 121 CD1 TYR A 7 7.132 -16.160 4.962 1.00 23.23 C ATOM 122 CD2 TYR A 7 6.291 -17.868 6.397 1.00 41.23 C ATOM 123 CE1 TYR A 7 8.388 -16.733 5.009 1.00 64.45 C ATOM 124 CE2 TYR A 7 7.544 -18.447 6.450 1.00 41.10 C ATOM 125 CZ TYR A 7 8.589 -17.876 5.754 1.00 24.31 C ATOM 126 OH TYR A 7 9.839 -18.451 5.803 1.00 13.04 O ATOM 0 H TYR A 7 2.271 -15.609 5.296 1.00 73.34 H new ATOM 0 HA TYR A 7 4.481 -15.798 3.480 1.00 44.42 H new ATOM 0 HB2 TYR A 7 4.786 -15.012 5.764 1.00 41.13 H new ATOM 0 HB3 TYR A 7 4.086 -16.479 6.417 1.00 41.13 H new ATOM 0 HD1 TYR A 7 6.978 -15.265 4.378 1.00 23.23 H new ATOM 0 HD2 TYR A 7 5.475 -18.318 6.942 1.00 41.23 H new ATOM 0 HE1 TYR A 7 9.208 -16.288 4.465 1.00 64.45 H new ATOM 0 HE2 TYR A 7 7.705 -19.342 7.033 1.00 41.10 H new ATOM 0 HH TYR A 7 10.287 -18.334 4.939 1.00 13.04 H new ATOM 136 N ASP A 8 2.918 -18.509 4.412 1.00 55.11 N ATOM 137 CA ASP A 8 2.789 -19.941 4.167 1.00 14.31 C ATOM 138 C ASP A 8 2.575 -20.221 2.683 1.00 65.22 C ATOM 139 O ASP A 8 2.995 -21.259 2.170 1.00 5.35 O ATOM 140 CB ASP A 8 1.627 -20.516 4.979 1.00 24.15 C ATOM 141 CG ASP A 8 0.367 -19.683 4.858 1.00 51.30 C ATOM 142 OD1 ASP A 8 -0.301 -19.768 3.806 1.00 1.34 O ATOM 143 OD2 ASP A 8 0.049 -18.945 5.814 1.00 15.21 O ATOM 0 H ASP A 8 2.158 -18.104 4.958 1.00 55.11 H new ATOM 0 HA ASP A 8 3.715 -20.423 4.480 1.00 14.31 H new ATOM 0 HB2 ASP A 8 1.421 -21.532 4.643 1.00 24.15 H new ATOM 0 HB3 ASP A 8 1.917 -20.580 6.028 1.00 24.15 H new ATOM 148 N SER A 9 1.919 -19.290 1.998 1.00 4.00 N ATOM 149 CA SER A 9 1.646 -19.439 0.573 1.00 31.25 C ATOM 150 C SER A 9 2.712 -18.736 -0.261 1.00 23.11 C ATOM 151 O SER A 9 2.900 -19.045 -1.439 1.00 14.14 O ATOM 152 CB SER A 9 0.264 -18.875 0.236 1.00 63.30 C ATOM 153 OG SER A 9 -0.573 -18.860 1.379 1.00 73.01 O ATOM 0 H SER A 9 1.567 -18.424 2.407 1.00 4.00 H new ATOM 0 HA SER A 9 1.665 -20.502 0.333 1.00 31.25 H new ATOM 0 HB2 SER A 9 0.366 -17.863 -0.157 1.00 63.30 H new ATOM 0 HB3 SER A 9 -0.196 -19.476 -0.548 1.00 63.30 H new ATOM 0 HG SER A 9 -0.326 -19.598 1.975 1.00 73.01 H new ATOM 159 N LEU A 10 3.409 -17.789 0.357 1.00 12.14 N ATOM 160 CA LEU A 10 4.458 -17.040 -0.327 1.00 34.43 C ATOM 161 C LEU A 10 5.751 -17.847 -0.388 1.00 73.03 C ATOM 162 O LEU A 10 6.503 -17.759 -1.359 1.00 41.20 O ATOM 163 CB LEU A 10 4.707 -15.709 0.383 1.00 1.34 C ATOM 164 CG LEU A 10 3.896 -14.516 -0.123 1.00 14.31 C ATOM 165 CD1 LEU A 10 4.198 -13.275 0.704 1.00 73.34 C ATOM 166 CD2 LEU A 10 4.184 -14.261 -1.595 1.00 74.02 C ATOM 0 H LEU A 10 3.267 -17.521 1.331 1.00 12.14 H new ATOM 0 HA LEU A 10 4.125 -16.844 -1.346 1.00 34.43 H new ATOM 0 HB2 LEU A 10 4.497 -15.842 1.444 1.00 1.34 H new ATOM 0 HB3 LEU A 10 5.766 -15.466 0.296 1.00 1.34 H new ATOM 0 HG LEU A 10 2.837 -14.750 -0.016 1.00 14.31 H new ATOM 0 HD11 LEU A 10 3.612 -12.436 0.329 1.00 73.34 H new ATOM 0 HD12 LEU A 10 3.940 -13.461 1.747 1.00 73.34 H new ATOM 0 HD13 LEU A 10 5.259 -13.038 0.630 1.00 73.34 H new ATOM 0 HD21 LEU A 10 3.598 -13.408 -1.938 1.00 74.02 H new ATOM 0 HD22 LEU A 10 5.245 -14.049 -1.727 1.00 74.02 H new ATOM 0 HD23 LEU A 10 3.916 -15.143 -2.176 1.00 74.02 H new ATOM 178 N ILE A 11 6.001 -18.634 0.653 1.00 41.03 N ATOM 179 CA ILE A 11 7.201 -19.459 0.715 1.00 43.31 C ATOM 180 C ILE A 11 7.309 -20.366 -0.506 1.00 41.54 C ATOM 181 O ILE A 11 6.375 -21.098 -0.834 1.00 2.41 O ATOM 182 CB ILE A 11 7.223 -20.326 1.988 1.00 42.34 C ATOM 183 CG1 ILE A 11 5.895 -21.069 2.148 1.00 42.51 C ATOM 184 CG2 ILE A 11 7.506 -19.465 3.210 1.00 71.11 C ATOM 185 CD1 ILE A 11 5.871 -22.015 3.327 1.00 32.15 C ATOM 0 H ILE A 11 5.389 -18.718 1.465 1.00 41.03 H new ATOM 0 HA ILE A 11 8.051 -18.777 0.734 1.00 43.31 H new ATOM 0 HB ILE A 11 8.021 -21.063 1.895 1.00 42.34 H new ATOM 0 HG12 ILE A 11 5.092 -20.341 2.260 1.00 42.51 H new ATOM 0 HG13 ILE A 11 5.690 -21.631 1.237 1.00 42.51 H new ATOM 0 HG21 ILE A 11 7.518 -20.092 4.102 1.00 71.11 H new ATOM 0 HG22 ILE A 11 8.474 -18.978 3.095 1.00 71.11 H new ATOM 0 HG23 ILE A 11 6.728 -18.708 3.310 1.00 71.11 H new ATOM 0 HD11 ILE A 11 4.900 -22.507 3.379 1.00 32.15 H new ATOM 0 HD12 ILE A 11 6.652 -22.766 3.207 1.00 32.15 H new ATOM 0 HD13 ILE A 11 6.044 -21.455 4.246 1.00 32.15 H new ATOM 197 N VAL A 12 8.456 -20.313 -1.176 1.00 41.03 N ATOM 198 CA VAL A 12 8.688 -21.132 -2.360 1.00 41.32 C ATOM 199 C VAL A 12 8.619 -22.617 -2.023 1.00 54.14 C ATOM 200 O VAL A 12 8.345 -23.450 -2.889 1.00 13.45 O ATOM 201 CB VAL A 12 10.057 -20.824 -2.996 1.00 30.12 C ATOM 202 CG1 VAL A 12 10.212 -19.330 -3.233 1.00 2.44 C ATOM 203 CG2 VAL A 12 11.182 -21.353 -2.119 1.00 11.01 C ATOM 0 H VAL A 12 9.239 -19.712 -0.919 1.00 41.03 H new ATOM 0 HA VAL A 12 7.901 -20.887 -3.073 1.00 41.32 H new ATOM 0 HB VAL A 12 10.112 -21.328 -3.961 1.00 30.12 H new ATOM 0 HG11 VAL A 12 11.185 -19.132 -3.683 1.00 2.44 H new ATOM 0 HG12 VAL A 12 9.425 -18.984 -3.904 1.00 2.44 H new ATOM 0 HG13 VAL A 12 10.137 -18.801 -2.283 1.00 2.44 H new ATOM 0 HG21 VAL A 12 12.142 -21.127 -2.583 1.00 11.01 H new ATOM 0 HG22 VAL A 12 11.132 -20.879 -1.139 1.00 11.01 H new ATOM 0 HG23 VAL A 12 11.079 -22.432 -2.006 1.00 11.01 H new ATOM 213 N THR A 13 8.868 -22.944 -0.759 1.00 42.11 N ATOM 214 CA THR A 13 8.835 -24.329 -0.307 1.00 73.00 C ATOM 215 C THR A 13 7.447 -24.933 -0.488 1.00 12.05 C ATOM 216 O THR A 13 7.285 -26.152 -0.483 1.00 61.54 O ATOM 217 CB THR A 13 9.245 -24.447 1.173 1.00 40.10 C ATOM 218 OG1 THR A 13 9.201 -25.817 1.586 1.00 61.42 O ATOM 219 CG2 THR A 13 8.327 -23.616 2.057 1.00 60.12 C ATOM 0 H THR A 13 9.095 -22.268 -0.030 1.00 42.11 H new ATOM 0 HA THR A 13 9.550 -24.879 -0.919 1.00 73.00 H new ATOM 0 HB THR A 13 10.262 -24.069 1.276 1.00 40.10 H new ATOM 0 HG1 THR A 13 8.563 -26.307 1.027 1.00 61.42 H new ATOM 0 HG21 THR A 13 8.636 -23.715 3.098 1.00 60.12 H new ATOM 0 HG22 THR A 13 8.385 -22.569 1.759 1.00 60.12 H new ATOM 0 HG23 THR A 13 7.301 -23.968 1.948 1.00 60.12 H new ATOM 227 N ASN A 14 6.448 -24.071 -0.646 1.00 74.14 N ATOM 228 CA ASN A 14 5.072 -24.521 -0.829 1.00 2.42 C ATOM 229 C ASN A 14 4.712 -24.583 -2.310 1.00 41.10 C ATOM 230 O ASN A 14 3.572 -24.876 -2.670 1.00 61.43 O ATOM 231 CB ASN A 14 4.107 -23.586 -0.097 1.00 31.24 C ATOM 232 CG ASN A 14 2.828 -24.287 0.320 1.00 50.24 C ATOM 233 OD1 ASN A 14 1.784 -24.125 -0.313 1.00 3.20 O ATOM 234 ND2 ASN A 14 2.904 -25.071 1.389 1.00 51.51 N ATOM 0 H ASN A 14 6.565 -23.058 -0.651 1.00 74.14 H new ATOM 0 HA ASN A 14 4.985 -25.524 -0.410 1.00 2.42 H new ATOM 0 HB2 ASN A 14 4.599 -23.179 0.786 1.00 31.24 H new ATOM 0 HB3 ASN A 14 3.862 -22.743 -0.743 1.00 31.24 H new ATOM 0 HD21 ASN A 14 2.076 -25.569 1.716 1.00 51.51 H new ATOM 0 HD22 ASN A 14 3.790 -25.176 1.883 1.00 51.51 H new ATOM 241 N ARG A 15 5.692 -24.305 -3.164 1.00 21.33 N ATOM 242 CA ARG A 15 5.479 -24.329 -4.606 1.00 33.13 C ATOM 243 C ARG A 15 4.841 -25.646 -5.039 1.00 40.23 C ATOM 244 O ARG A 15 4.045 -25.682 -5.978 1.00 51.31 O ATOM 245 CB ARG A 15 6.804 -24.125 -5.342 1.00 52.03 C ATOM 246 CG ARG A 15 7.227 -22.669 -5.441 1.00 45.45 C ATOM 247 CD ARG A 15 8.709 -22.540 -5.761 1.00 14.22 C ATOM 248 NE ARG A 15 9.090 -23.340 -6.922 1.00 12.23 N ATOM 249 CZ ARG A 15 10.349 -23.549 -7.289 1.00 3.42 C ATOM 250 NH1 ARG A 15 11.344 -23.020 -6.589 1.00 54.53 N ATOM 251 NH2 ARG A 15 10.616 -24.288 -8.358 1.00 21.45 N ATOM 0 H ARG A 15 6.641 -24.061 -2.882 1.00 21.33 H new ATOM 0 HA ARG A 15 4.801 -23.515 -4.862 1.00 33.13 H new ATOM 0 HB2 ARG A 15 7.585 -24.687 -4.830 1.00 52.03 H new ATOM 0 HB3 ARG A 15 6.719 -24.539 -6.347 1.00 52.03 H new ATOM 0 HG2 ARG A 15 6.642 -22.171 -6.214 1.00 45.45 H new ATOM 0 HG3 ARG A 15 7.011 -22.161 -4.501 1.00 45.45 H new ATOM 0 HD2 ARG A 15 8.950 -21.493 -5.947 1.00 14.22 H new ATOM 0 HD3 ARG A 15 9.295 -22.853 -4.897 1.00 14.22 H new ATOM 0 HE ARG A 15 8.348 -23.761 -7.482 1.00 12.23 H new ATOM 0 HH11 ARG A 15 11.143 -22.451 -5.767 1.00 54.53 H new ATOM 0 HH12 ARG A 15 12.310 -23.182 -6.873 1.00 54.53 H new ATOM 0 HH21 ARG A 15 9.854 -24.696 -8.899 1.00 21.45 H new ATOM 0 HH22 ARG A 15 11.583 -24.448 -8.639 1.00 21.45 H new ATOM 265 N ILE A 16 5.197 -26.725 -4.350 1.00 52.41 N ATOM 266 CA ILE A 16 4.659 -28.043 -4.664 1.00 10.43 C ATOM 267 C ILE A 16 3.156 -28.097 -4.414 1.00 14.50 C ATOM 268 O ILE A 16 2.415 -28.735 -5.161 1.00 75.32 O ATOM 269 CB ILE A 16 5.346 -29.143 -3.833 1.00 73.04 C ATOM 270 CG1 ILE A 16 4.759 -30.513 -4.178 1.00 32.41 C ATOM 271 CG2 ILE A 16 5.197 -28.856 -2.347 1.00 0.41 C ATOM 272 CD1 ILE A 16 4.890 -30.877 -5.640 1.00 51.45 C ATOM 0 H ILE A 16 5.855 -26.712 -3.571 1.00 52.41 H new ATOM 0 HA ILE A 16 4.855 -28.221 -5.721 1.00 10.43 H new ATOM 0 HB ILE A 16 6.409 -29.151 -4.076 1.00 73.04 H new ATOM 0 HG12 ILE A 16 5.256 -31.274 -3.577 1.00 32.41 H new ATOM 0 HG13 ILE A 16 3.705 -30.527 -3.902 1.00 32.41 H new ATOM 0 HG21 ILE A 16 5.688 -29.642 -1.774 1.00 0.41 H new ATOM 0 HG22 ILE A 16 5.657 -27.896 -2.114 1.00 0.41 H new ATOM 0 HG23 ILE A 16 4.139 -28.824 -2.087 1.00 0.41 H new ATOM 0 HD11 ILE A 16 4.452 -31.861 -5.811 1.00 51.45 H new ATOM 0 HD12 ILE A 16 4.368 -30.137 -6.247 1.00 51.45 H new ATOM 0 HD13 ILE A 16 5.944 -30.896 -5.917 1.00 51.45 H new ATOM 284 N ARG A 17 2.712 -27.420 -3.359 1.00 71.34 N ATOM 285 CA ARG A 17 1.296 -27.391 -3.011 1.00 45.42 C ATOM 286 C ARG A 17 0.574 -26.280 -3.768 1.00 74.33 C ATOM 287 O ARG A 17 -0.312 -26.544 -4.582 1.00 11.13 O ATOM 288 CB ARG A 17 1.124 -27.191 -1.504 1.00 42.34 C ATOM 289 CG ARG A 17 2.037 -28.070 -0.665 1.00 74.21 C ATOM 290 CD ARG A 17 1.867 -29.541 -1.012 1.00 53.25 C ATOM 291 NE ARG A 17 2.708 -30.400 -0.184 1.00 5.21 N ATOM 292 CZ ARG A 17 2.680 -31.727 -0.236 1.00 3.23 C ATOM 293 NH1 ARG A 17 1.857 -32.344 -1.072 1.00 43.44 N ATOM 294 NH2 ARG A 17 3.477 -32.440 0.550 1.00 1.32 N ATOM 0 H ARG A 17 3.312 -26.885 -2.731 1.00 71.34 H new ATOM 0 HA ARG A 17 0.857 -28.347 -3.296 1.00 45.42 H new ATOM 0 HB2 ARG A 17 1.316 -26.146 -1.261 1.00 42.34 H new ATOM 0 HB3 ARG A 17 0.088 -27.396 -1.235 1.00 42.34 H new ATOM 0 HG2 ARG A 17 3.074 -27.775 -0.824 1.00 74.21 H new ATOM 0 HG3 ARG A 17 1.820 -27.917 0.392 1.00 74.21 H new ATOM 0 HD2 ARG A 17 0.822 -29.825 -0.884 1.00 53.25 H new ATOM 0 HD3 ARG A 17 2.114 -29.696 -2.062 1.00 53.25 H new ATOM 0 HE ARG A 17 3.353 -29.957 0.471 1.00 5.21 H new ATOM 0 HH11 ARG A 17 1.243 -31.800 -1.678 1.00 43.44 H new ATOM 0 HH12 ARG A 17 1.838 -33.363 -1.110 1.00 43.44 H new ATOM 0 HH21 ARG A 17 4.112 -31.969 1.195 1.00 1.32 H new ATOM 0 HH22 ARG A 17 3.455 -33.459 0.509 1.00 1.32 H new ATOM 308 N VAL A 18 0.957 -25.037 -3.495 1.00 24.45 N ATOM 309 CA VAL A 18 0.347 -23.887 -4.150 1.00 12.13 C ATOM 310 C VAL A 18 1.407 -22.912 -4.649 1.00 62.11 C ATOM 311 O VAL A 18 2.498 -22.821 -4.085 1.00 13.40 O ATOM 312 CB VAL A 18 -0.612 -23.144 -3.200 1.00 43.33 C ATOM 313 CG1 VAL A 18 0.162 -22.489 -2.066 1.00 15.12 C ATOM 314 CG2 VAL A 18 -1.426 -22.112 -3.966 1.00 71.24 C ATOM 0 H VAL A 18 1.688 -24.801 -2.824 1.00 24.45 H new ATOM 0 HA VAL A 18 -0.219 -24.270 -5.000 1.00 12.13 H new ATOM 0 HB VAL A 18 -1.301 -23.869 -2.767 1.00 43.33 H new ATOM 0 HG11 VAL A 18 -0.531 -21.969 -1.405 1.00 15.12 H new ATOM 0 HG12 VAL A 18 0.697 -23.253 -1.502 1.00 15.12 H new ATOM 0 HG13 VAL A 18 0.876 -21.775 -2.477 1.00 15.12 H new ATOM 0 HG21 VAL A 18 -2.098 -21.597 -3.280 1.00 71.24 H new ATOM 0 HG22 VAL A 18 -0.754 -21.389 -4.428 1.00 71.24 H new ATOM 0 HG23 VAL A 18 -2.010 -22.610 -4.740 1.00 71.24 H new ATOM 324 N LYS A 19 1.080 -22.184 -5.711 1.00 42.13 N ATOM 325 CA LYS A 19 2.003 -21.213 -6.288 1.00 31.14 C ATOM 326 C LYS A 19 1.580 -19.789 -5.942 1.00 3.13 C ATOM 327 O LYS A 19 0.476 -19.561 -5.446 1.00 21.24 O ATOM 328 CB LYS A 19 2.070 -21.382 -7.807 1.00 55.22 C ATOM 329 CG LYS A 19 2.268 -22.821 -8.251 1.00 51.34 C ATOM 330 CD LYS A 19 0.941 -23.503 -8.540 1.00 64.02 C ATOM 331 CE LYS A 19 1.144 -24.921 -9.051 1.00 33.41 C ATOM 332 NZ LYS A 19 -0.152 -25.615 -9.289 1.00 32.41 N ATOM 0 H LYS A 19 0.182 -22.248 -6.190 1.00 42.13 H new ATOM 0 HA LYS A 19 2.991 -21.393 -5.865 1.00 31.14 H new ATOM 0 HB2 LYS A 19 1.150 -20.998 -8.248 1.00 55.22 H new ATOM 0 HB3 LYS A 19 2.887 -20.775 -8.196 1.00 55.22 H new ATOM 0 HG2 LYS A 19 2.892 -22.845 -9.144 1.00 51.34 H new ATOM 0 HG3 LYS A 19 2.800 -23.372 -7.476 1.00 51.34 H new ATOM 0 HD2 LYS A 19 0.337 -23.525 -7.633 1.00 64.02 H new ATOM 0 HD3 LYS A 19 0.386 -22.925 -9.279 1.00 64.02 H new ATOM 0 HE2 LYS A 19 1.717 -24.895 -9.978 1.00 33.41 H new ATOM 0 HE3 LYS A 19 1.732 -25.487 -8.328 1.00 33.41 H new ATOM 0 HZ1 LYS A 19 0.029 -26.578 -9.637 1.00 32.41 H new ATOM 0 HZ2 LYS A 19 -0.689 -25.663 -8.399 1.00 32.41 H new ATOM 0 HZ3 LYS A 19 -0.702 -25.089 -9.997 1.00 32.41 H new ATOM 346 N LEU A 20 2.464 -18.834 -6.207 1.00 42.54 N ATOM 347 CA LEU A 20 2.182 -17.430 -5.926 1.00 20.34 C ATOM 348 C LEU A 20 1.115 -16.889 -6.871 1.00 55.11 C ATOM 349 O LEU A 20 0.953 -17.358 -7.998 1.00 33.02 O ATOM 350 CB LEU A 20 3.459 -16.598 -6.050 1.00 3.20 C ATOM 351 CG LEU A 20 4.704 -17.173 -5.373 1.00 60.14 C ATOM 352 CD1 LEU A 20 5.965 -16.567 -5.971 1.00 35.14 C ATOM 353 CD2 LEU A 20 4.654 -16.932 -3.872 1.00 21.44 C ATOM 0 H LEU A 20 3.382 -19.006 -6.616 1.00 42.54 H new ATOM 0 HA LEU A 20 1.807 -17.358 -4.905 1.00 20.34 H new ATOM 0 HB2 LEU A 20 3.677 -16.460 -7.109 1.00 3.20 H new ATOM 0 HB3 LEU A 20 3.267 -15.610 -5.632 1.00 3.20 H new ATOM 0 HG LEU A 20 4.725 -18.249 -5.547 1.00 60.14 H new ATOM 0 HD11 LEU A 20 6.841 -16.988 -5.477 1.00 35.14 H new ATOM 0 HD12 LEU A 20 6.007 -16.792 -7.037 1.00 35.14 H new ATOM 0 HD13 LEU A 20 5.952 -15.486 -5.828 1.00 35.14 H new ATOM 0 HD21 LEU A 20 5.548 -17.348 -3.407 1.00 21.44 H new ATOM 0 HD22 LEU A 20 4.608 -15.861 -3.677 1.00 21.44 H new ATOM 0 HD23 LEU A 20 3.770 -17.415 -3.455 1.00 21.44 H new ATOM 365 N PRO A 21 0.369 -15.876 -6.405 1.00 20.14 N ATOM 366 CA PRO A 21 -0.694 -15.247 -7.194 1.00 11.23 C ATOM 367 C PRO A 21 -0.146 -14.434 -8.362 1.00 25.43 C ATOM 368 O PRO A 21 1.044 -14.499 -8.672 1.00 60.35 O ATOM 369 CB PRO A 21 -1.390 -14.330 -6.184 1.00 44.14 C ATOM 370 CG PRO A 21 -0.348 -14.033 -5.162 1.00 22.14 C ATOM 371 CD PRO A 21 0.507 -15.267 -5.071 1.00 50.01 C ATOM 0 HA PRO A 21 -1.356 -15.985 -7.648 1.00 11.23 H new ATOM 0 HB2 PRO A 21 -1.749 -13.418 -6.660 1.00 44.14 H new ATOM 0 HB3 PRO A 21 -2.256 -14.818 -5.737 1.00 44.14 H new ATOM 0 HG2 PRO A 21 0.247 -13.167 -5.452 1.00 22.14 H new ATOM 0 HG3 PRO A 21 -0.802 -13.801 -4.198 1.00 22.14 H new ATOM 0 HD2 PRO A 21 1.545 -15.021 -4.847 1.00 50.01 H new ATOM 0 HD3 PRO A 21 0.161 -15.938 -4.285 1.00 50.01 H new ATOM 379 N LYS A 22 -1.020 -13.669 -9.006 1.00 4.31 N ATOM 380 CA LYS A 22 -0.623 -12.841 -10.139 1.00 73.22 C ATOM 381 C LYS A 22 -0.299 -11.421 -9.689 1.00 11.55 C ATOM 382 O LYS A 22 0.595 -10.775 -10.235 1.00 42.31 O ATOM 383 CB LYS A 22 -1.735 -12.813 -11.190 1.00 75.00 C ATOM 384 CG LYS A 22 -2.904 -11.917 -10.815 1.00 63.54 C ATOM 385 CD LYS A 22 -3.951 -11.878 -11.915 1.00 73.23 C ATOM 386 CE LYS A 22 -3.358 -11.406 -13.234 1.00 0.44 C ATOM 387 NZ LYS A 22 -4.399 -11.251 -14.287 1.00 14.43 N ATOM 0 H LYS A 22 -2.009 -13.605 -8.763 1.00 4.31 H new ATOM 0 HA LYS A 22 0.274 -13.277 -10.579 1.00 73.22 H new ATOM 0 HB2 LYS A 22 -1.318 -12.475 -12.139 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -2.101 -13.828 -11.346 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -3.358 -12.277 -9.892 1.00 63.54 H new ATOM 0 HG3 LYS A 22 -2.542 -10.908 -10.620 1.00 63.54 H new ATOM 0 HD2 LYS A 22 -4.382 -12.871 -12.044 1.00 73.23 H new ATOM 0 HD3 LYS A 22 -4.763 -11.213 -11.622 1.00 73.23 H new ATOM 0 HE2 LYS A 22 -2.850 -10.454 -13.083 1.00 0.44 H new ATOM 0 HE3 LYS A 22 -2.605 -12.120 -13.570 1.00 0.44 H new ATOM 0 HZ1 LYS A 22 -3.954 -10.928 -15.170 1.00 14.43 H new ATOM 0 HZ2 LYS A 22 -4.867 -12.165 -14.449 1.00 14.43 H new ATOM 0 HZ3 LYS A 22 -5.104 -10.551 -13.978 1.00 14.43 H new ATOM 401 N ASP A 23 -1.030 -10.941 -8.689 1.00 12.34 N ATOM 402 CA ASP A 23 -0.818 -9.597 -8.163 1.00 34.13 C ATOM 403 C ASP A 23 0.283 -9.594 -7.108 1.00 4.13 C ATOM 404 O ASP A 23 0.104 -9.068 -6.009 1.00 42.33 O ATOM 405 CB ASP A 23 -2.116 -9.050 -7.565 1.00 4.10 C ATOM 406 CG ASP A 23 -3.285 -9.154 -8.525 1.00 25.33 C ATOM 407 OD1 ASP A 23 -3.972 -10.196 -8.510 1.00 72.42 O ATOM 408 OD2 ASP A 23 -3.511 -8.194 -9.291 1.00 31.31 O ATOM 0 H ASP A 23 -1.775 -11.462 -8.226 1.00 12.34 H new ATOM 0 HA ASP A 23 -0.508 -8.955 -8.988 1.00 34.13 H new ATOM 0 HB2 ASP A 23 -2.350 -9.596 -6.651 1.00 4.10 H new ATOM 0 HB3 ASP A 23 -1.972 -8.007 -7.284 1.00 4.10 H new ATOM 413 N VAL A 24 1.424 -10.186 -7.448 1.00 52.15 N ATOM 414 CA VAL A 24 2.555 -10.251 -6.531 1.00 61.40 C ATOM 415 C VAL A 24 3.878 -10.149 -7.282 1.00 20.23 C ATOM 416 O VAL A 24 4.062 -10.778 -8.324 1.00 44.20 O ATOM 417 CB VAL A 24 2.540 -11.557 -5.714 1.00 64.23 C ATOM 418 CG1 VAL A 24 2.844 -12.750 -6.608 1.00 41.23 C ATOM 419 CG2 VAL A 24 3.532 -11.477 -4.564 1.00 3.32 C ATOM 0 H VAL A 24 1.589 -10.628 -8.353 1.00 52.15 H new ATOM 0 HA VAL A 24 2.461 -9.404 -5.851 1.00 61.40 H new ATOM 0 HB VAL A 24 1.543 -11.692 -5.295 1.00 64.23 H new ATOM 0 HG11 VAL A 24 2.829 -13.663 -6.013 1.00 41.23 H new ATOM 0 HG12 VAL A 24 2.092 -12.816 -7.394 1.00 41.23 H new ATOM 0 HG13 VAL A 24 3.829 -12.626 -7.058 1.00 41.23 H new ATOM 0 HG21 VAL A 24 3.508 -12.408 -3.998 1.00 3.32 H new ATOM 0 HG22 VAL A 24 4.535 -11.318 -4.959 1.00 3.32 H new ATOM 0 HG23 VAL A 24 3.264 -10.647 -3.910 1.00 3.32 H new ATOM 429 N ASP A 25 4.796 -9.353 -6.745 1.00 24.52 N ATOM 430 CA ASP A 25 6.104 -9.170 -7.363 1.00 4.51 C ATOM 431 C ASP A 25 7.170 -9.981 -6.633 1.00 35.54 C ATOM 432 O ASP A 25 7.602 -9.616 -5.539 1.00 52.34 O ATOM 433 CB ASP A 25 6.487 -7.689 -7.366 1.00 0.31 C ATOM 434 CG ASP A 25 5.828 -6.923 -8.496 1.00 43.24 C ATOM 435 OD1 ASP A 25 6.097 -7.250 -9.671 1.00 64.43 O ATOM 436 OD2 ASP A 25 5.043 -5.996 -8.206 1.00 61.52 O ATOM 0 H ASP A 25 4.659 -8.824 -5.884 1.00 24.52 H new ATOM 0 HA ASP A 25 6.044 -9.525 -8.392 1.00 4.51 H new ATOM 0 HB2 ASP A 25 6.203 -7.241 -6.414 1.00 0.31 H new ATOM 0 HB3 ASP A 25 7.570 -7.597 -7.451 1.00 0.31 H new ATOM 441 N ARG A 26 7.587 -11.085 -7.244 1.00 24.24 N ATOM 442 CA ARG A 26 8.600 -11.950 -6.650 1.00 60.25 C ATOM 443 C ARG A 26 9.890 -11.178 -6.390 1.00 12.43 C ATOM 444 O ARG A 26 10.619 -11.467 -5.441 1.00 24.13 O ATOM 445 CB ARG A 26 8.883 -13.142 -7.566 1.00 62.25 C ATOM 446 CG ARG A 26 9.908 -14.113 -7.003 1.00 70.22 C ATOM 447 CD ARG A 26 9.248 -15.193 -6.160 1.00 53.12 C ATOM 448 NE ARG A 26 9.973 -16.459 -6.226 1.00 52.14 N ATOM 449 CZ ARG A 26 10.025 -17.220 -7.314 1.00 32.12 C ATOM 450 NH1 ARG A 26 9.398 -16.845 -8.420 1.00 73.11 N ATOM 451 NH2 ARG A 26 10.706 -18.359 -7.296 1.00 15.10 N ATOM 0 H ARG A 26 7.240 -11.402 -8.149 1.00 24.24 H new ATOM 0 HA ARG A 26 8.217 -12.315 -5.697 1.00 60.25 H new ATOM 0 HB2 ARG A 26 7.951 -13.677 -7.750 1.00 62.25 H new ATOM 0 HB3 ARG A 26 9.235 -12.773 -8.529 1.00 62.25 H new ATOM 0 HG2 ARG A 26 10.461 -14.575 -7.821 1.00 70.22 H new ATOM 0 HG3 ARG A 26 10.632 -13.569 -6.397 1.00 70.22 H new ATOM 0 HD2 ARG A 26 9.193 -14.861 -5.123 1.00 53.12 H new ATOM 0 HD3 ARG A 26 8.224 -15.344 -6.501 1.00 53.12 H new ATOM 0 HE ARG A 26 10.466 -16.776 -5.392 1.00 52.14 H new ATOM 0 HH11 ARG A 26 8.874 -15.970 -8.437 1.00 73.11 H new ATOM 0 HH12 ARG A 26 9.440 -17.431 -9.254 1.00 73.11 H new ATOM 0 HH21 ARG A 26 11.190 -18.651 -6.447 1.00 15.10 H new ATOM 0 HH22 ARG A 26 10.746 -18.943 -8.131 1.00 15.10 H new ATOM 465 N THR A 27 10.166 -10.193 -7.239 1.00 51.21 N ATOM 466 CA THR A 27 11.368 -9.380 -7.102 1.00 54.22 C ATOM 467 C THR A 27 11.495 -8.820 -5.690 1.00 71.10 C ATOM 468 O THR A 27 12.521 -8.996 -5.033 1.00 11.24 O ATOM 469 CB THR A 27 11.374 -8.213 -8.107 1.00 53.53 C ATOM 470 OG1 THR A 27 10.811 -8.637 -9.354 1.00 45.40 O ATOM 471 CG2 THR A 27 12.788 -7.699 -8.332 1.00 10.15 C ATOM 0 H THR A 27 9.573 -9.939 -8.029 1.00 51.21 H new ATOM 0 HA THR A 27 12.216 -10.033 -7.309 1.00 54.22 H new ATOM 0 HB THR A 27 10.772 -7.404 -7.693 1.00 53.53 H new ATOM 0 HG1 THR A 27 10.817 -7.889 -9.987 1.00 45.40 H new ATOM 0 HG21 THR A 27 12.766 -6.875 -9.045 1.00 10.15 H new ATOM 0 HG22 THR A 27 13.203 -7.350 -7.387 1.00 10.15 H new ATOM 0 HG23 THR A 27 13.409 -8.504 -8.725 1.00 10.15 H new ATOM 479 N ARG A 28 10.446 -8.146 -5.229 1.00 23.21 N ATOM 480 CA ARG A 28 10.442 -7.560 -3.894 1.00 33.21 C ATOM 481 C ARG A 28 9.312 -8.142 -3.049 1.00 0.22 C ATOM 482 O ARG A 28 8.436 -7.414 -2.578 1.00 64.34 O ATOM 483 CB ARG A 28 10.297 -6.040 -3.982 1.00 13.14 C ATOM 484 CG ARG A 28 11.356 -5.376 -4.846 1.00 53.14 C ATOM 485 CD ARG A 28 12.641 -5.138 -4.069 1.00 70.33 C ATOM 486 NE ARG A 28 13.579 -4.297 -4.807 1.00 41.31 N ATOM 487 CZ ARG A 28 13.405 -2.993 -4.997 1.00 31.54 C ATOM 488 NH1 ARG A 28 12.334 -2.386 -4.505 1.00 1.04 N ATOM 489 NH2 ARG A 28 14.303 -2.295 -5.679 1.00 64.21 N ATOM 0 H ARG A 28 9.589 -7.992 -5.760 1.00 23.21 H new ATOM 0 HA ARG A 28 11.391 -7.800 -3.415 1.00 33.21 H new ATOM 0 HB2 ARG A 28 9.312 -5.800 -4.381 1.00 13.14 H new ATOM 0 HB3 ARG A 28 10.344 -5.620 -2.977 1.00 13.14 H new ATOM 0 HG2 ARG A 28 11.565 -6.003 -5.713 1.00 53.14 H new ATOM 0 HG3 ARG A 28 10.976 -4.426 -5.223 1.00 53.14 H new ATOM 0 HD2 ARG A 28 12.406 -4.667 -3.115 1.00 70.33 H new ATOM 0 HD3 ARG A 28 13.112 -6.095 -3.845 1.00 70.33 H new ATOM 0 HE ARG A 28 14.413 -4.734 -5.198 1.00 41.31 H new ATOM 0 HH11 ARG A 28 11.642 -2.920 -3.980 1.00 1.04 H new ATOM 0 HH12 ARG A 28 12.202 -1.385 -4.652 1.00 1.04 H new ATOM 0 HH21 ARG A 28 15.128 -2.759 -6.058 1.00 64.21 H new ATOM 0 HH22 ARG A 28 14.168 -1.294 -5.824 1.00 64.21 H new ATOM 503 N LEU A 29 9.338 -9.457 -2.861 1.00 13.54 N ATOM 504 CA LEU A 29 8.316 -10.137 -2.073 1.00 14.34 C ATOM 505 C LEU A 29 8.318 -9.638 -0.631 1.00 61.11 C ATOM 506 O LEU A 29 7.346 -9.823 0.101 1.00 42.44 O ATOM 507 CB LEU A 29 8.544 -11.649 -2.102 1.00 13.04 C ATOM 508 CG LEU A 29 7.301 -12.519 -1.907 1.00 64.04 C ATOM 509 CD1 LEU A 29 6.315 -12.302 -3.044 1.00 71.34 C ATOM 510 CD2 LEU A 29 7.689 -13.987 -1.808 1.00 32.24 C ATOM 0 H LEU A 29 10.055 -10.073 -3.243 1.00 13.54 H new ATOM 0 HA LEU A 29 7.344 -9.914 -2.514 1.00 14.34 H new ATOM 0 HB2 LEU A 29 8.999 -11.909 -3.058 1.00 13.04 H new ATOM 0 HB3 LEU A 29 9.266 -11.902 -1.326 1.00 13.04 H new ATOM 0 HG LEU A 29 6.818 -12.227 -0.974 1.00 64.04 H new ATOM 0 HD11 LEU A 29 5.437 -12.929 -2.889 1.00 71.34 H new ATOM 0 HD12 LEU A 29 6.013 -11.255 -3.069 1.00 71.34 H new ATOM 0 HD13 LEU A 29 6.787 -12.566 -3.990 1.00 71.34 H new ATOM 0 HD21 LEU A 29 6.793 -14.592 -1.669 1.00 32.24 H new ATOM 0 HD22 LEU A 29 8.195 -14.292 -2.724 1.00 32.24 H new ATOM 0 HD23 LEU A 29 8.358 -14.130 -0.959 1.00 32.24 H new ATOM 522 N GLU A 30 9.416 -9.004 -0.231 1.00 60.04 N ATOM 523 CA GLU A 30 9.543 -8.478 1.123 1.00 43.35 C ATOM 524 C GLU A 30 8.439 -7.468 1.420 1.00 55.23 C ATOM 525 O GLU A 30 7.877 -7.451 2.515 1.00 12.11 O ATOM 526 CB GLU A 30 10.913 -7.822 1.312 1.00 31.32 C ATOM 527 CG GLU A 30 11.034 -6.462 0.646 1.00 22.02 C ATOM 528 CD GLU A 30 12.476 -6.044 0.432 1.00 11.44 C ATOM 529 OE1 GLU A 30 13.343 -6.481 1.218 1.00 73.31 O ATOM 530 OE2 GLU A 30 12.737 -5.279 -0.519 1.00 45.14 O ATOM 0 H GLU A 30 10.229 -8.842 -0.825 1.00 60.04 H new ATOM 0 HA GLU A 30 9.447 -9.311 1.820 1.00 43.35 H new ATOM 0 HB2 GLU A 30 11.110 -7.714 2.378 1.00 31.32 H new ATOM 0 HB3 GLU A 30 11.681 -8.483 0.911 1.00 31.32 H new ATOM 0 HG2 GLU A 30 10.520 -6.485 -0.315 1.00 22.02 H new ATOM 0 HG3 GLU A 30 10.530 -5.715 1.259 1.00 22.02 H new ATOM 537 N ARG A 31 8.133 -6.627 0.437 1.00 61.45 N ATOM 538 CA ARG A 31 7.097 -5.613 0.592 1.00 24.25 C ATOM 539 C ARG A 31 5.714 -6.254 0.653 1.00 52.25 C ATOM 540 O ARG A 31 4.727 -5.595 0.982 1.00 72.10 O ATOM 541 CB ARG A 31 7.157 -4.611 -0.562 1.00 4.14 C ATOM 542 CG ARG A 31 8.341 -3.661 -0.482 1.00 42.22 C ATOM 543 CD ARG A 31 8.034 -2.461 0.401 1.00 65.32 C ATOM 544 NE ARG A 31 9.247 -1.866 0.956 1.00 20.22 N ATOM 545 CZ ARG A 31 9.248 -1.020 1.980 1.00 11.01 C ATOM 546 NH1 ARG A 31 8.106 -0.672 2.558 1.00 43.45 N ATOM 547 NH2 ARG A 31 10.392 -0.521 2.429 1.00 45.32 N ATOM 0 H ARG A 31 8.588 -6.628 -0.476 1.00 61.45 H new ATOM 0 HA ARG A 31 7.276 -5.087 1.530 1.00 24.25 H new ATOM 0 HB2 ARG A 31 7.203 -5.157 -1.504 1.00 4.14 H new ATOM 0 HB3 ARG A 31 6.235 -4.029 -0.575 1.00 4.14 H new ATOM 0 HG2 ARG A 31 9.208 -4.191 -0.089 1.00 42.22 H new ATOM 0 HG3 ARG A 31 8.603 -3.320 -1.483 1.00 42.22 H new ATOM 0 HD2 ARG A 31 7.496 -1.712 -0.180 1.00 65.32 H new ATOM 0 HD3 ARG A 31 7.376 -2.768 1.214 1.00 65.32 H new ATOM 0 HE ARG A 31 10.142 -2.114 0.534 1.00 20.22 H new ATOM 0 HH11 ARG A 31 7.224 -1.054 2.216 1.00 43.45 H new ATOM 0 HH12 ARG A 31 8.110 -0.022 3.344 1.00 43.45 H new ATOM 0 HH21 ARG A 31 11.272 -0.787 1.988 1.00 45.32 H new ATOM 0 HH22 ARG A 31 10.391 0.129 3.215 1.00 45.32 H new ATOM 561 N HIS A 32 5.649 -7.542 0.331 1.00 23.14 N ATOM 562 CA HIS A 32 4.387 -8.272 0.349 1.00 74.12 C ATOM 563 C HIS A 32 4.230 -9.055 1.649 1.00 73.22 C ATOM 564 O HIS A 32 3.198 -9.686 1.885 1.00 3.34 O ATOM 565 CB HIS A 32 4.306 -9.223 -0.846 1.00 4.12 C ATOM 566 CG HIS A 32 3.828 -8.565 -2.104 1.00 32.54 C ATOM 567 ND1 HIS A 32 2.503 -8.264 -2.338 1.00 11.41 N ATOM 568 CD2 HIS A 32 4.506 -8.150 -3.199 1.00 22.03 C ATOM 569 CE1 HIS A 32 2.387 -7.693 -3.523 1.00 53.54 C ATOM 570 NE2 HIS A 32 3.588 -7.611 -4.066 1.00 61.43 N ATOM 0 H HIS A 32 6.456 -8.101 0.054 1.00 23.14 H new ATOM 0 HA HIS A 32 3.576 -7.547 0.282 1.00 74.12 H new ATOM 0 HB2 HIS A 32 5.291 -9.655 -1.023 1.00 4.12 H new ATOM 0 HB3 HIS A 32 3.636 -10.047 -0.599 1.00 4.12 H new ATOM 0 HD1 HIS A 32 1.733 -8.453 -1.696 1.00 11.41 H new ATOM 0 HD2 HIS A 32 5.571 -8.228 -3.361 1.00 22.03 H new ATOM 0 HE1 HIS A 32 1.466 -7.351 -3.972 1.00 53.54 H new ATOM 578 N LEU A 33 5.259 -9.012 2.488 1.00 53.42 N ATOM 579 CA LEU A 33 5.236 -9.718 3.764 1.00 14.31 C ATOM 580 C LEU A 33 5.265 -8.735 4.931 1.00 61.24 C ATOM 581 O LEU A 33 6.131 -7.863 4.998 1.00 14.54 O ATOM 582 CB LEU A 33 6.423 -10.677 3.860 1.00 3.13 C ATOM 583 CG LEU A 33 6.157 -12.006 4.567 1.00 73.51 C ATOM 584 CD1 LEU A 33 5.444 -12.973 3.634 1.00 63.30 C ATOM 585 CD2 LEU A 33 7.458 -12.612 5.073 1.00 40.21 C ATOM 0 H LEU A 33 6.120 -8.496 2.308 1.00 53.42 H new ATOM 0 HA LEU A 33 4.310 -10.290 3.818 1.00 14.31 H new ATOM 0 HB2 LEU A 33 6.775 -10.890 2.851 1.00 3.13 H new ATOM 0 HB3 LEU A 33 7.234 -10.168 4.380 1.00 3.13 H new ATOM 0 HG LEU A 33 5.511 -11.816 5.424 1.00 73.51 H new ATOM 0 HD11 LEU A 33 5.263 -13.914 4.154 1.00 63.30 H new ATOM 0 HD12 LEU A 33 4.493 -12.542 3.321 1.00 63.30 H new ATOM 0 HD13 LEU A 33 6.065 -13.157 2.757 1.00 63.30 H new ATOM 0 HD21 LEU A 33 7.249 -13.557 5.573 1.00 40.21 H new ATOM 0 HD22 LEU A 33 8.129 -12.787 4.232 1.00 40.21 H new ATOM 0 HD23 LEU A 33 7.930 -11.926 5.777 1.00 40.21 H new ATOM 597 N SER A 34 4.315 -8.885 5.848 1.00 51.01 N ATOM 598 CA SER A 34 4.231 -8.010 7.011 1.00 12.13 C ATOM 599 C SER A 34 5.583 -7.905 7.711 1.00 74.10 C ATOM 600 O SER A 34 6.483 -8.718 7.502 1.00 44.24 O ATOM 601 CB SER A 34 3.176 -8.528 7.991 1.00 72.25 C ATOM 602 OG SER A 34 3.776 -9.246 9.055 1.00 44.14 O ATOM 0 H SER A 34 3.593 -9.604 5.808 1.00 51.01 H new ATOM 0 HA SER A 34 3.941 -7.017 6.667 1.00 12.13 H new ATOM 0 HB2 SER A 34 2.604 -7.690 8.390 1.00 72.25 H new ATOM 0 HB3 SER A 34 2.472 -9.173 7.465 1.00 72.25 H new ATOM 0 HG SER A 34 3.081 -9.565 9.668 1.00 44.14 H new ATOM 608 N PRO A 35 5.729 -6.880 8.563 1.00 11.40 N ATOM 609 CA PRO A 35 6.967 -6.643 9.312 1.00 74.00 C ATOM 610 C PRO A 35 7.204 -7.698 10.387 1.00 2.11 C ATOM 611 O PRO A 35 8.319 -8.194 10.547 1.00 50.33 O ATOM 612 CB PRO A 35 6.738 -5.271 9.950 1.00 1.35 C ATOM 613 CG PRO A 35 5.257 -5.141 10.050 1.00 44.13 C ATOM 614 CD PRO A 35 4.697 -5.872 8.861 1.00 30.34 C ATOM 0 HA PRO A 35 7.847 -6.688 8.671 1.00 74.00 H new ATOM 0 HB2 PRO A 35 7.208 -5.208 10.931 1.00 1.35 H new ATOM 0 HB3 PRO A 35 7.165 -4.475 9.340 1.00 1.35 H new ATOM 0 HG2 PRO A 35 4.889 -5.571 10.982 1.00 44.13 H new ATOM 0 HG3 PRO A 35 4.956 -4.094 10.042 1.00 44.13 H new ATOM 0 HD2 PRO A 35 3.737 -6.335 9.090 1.00 30.34 H new ATOM 0 HD3 PRO A 35 4.535 -5.202 8.017 1.00 30.34 H new ATOM 622 N GLU A 36 6.149 -8.036 11.121 1.00 32.24 N ATOM 623 CA GLU A 36 6.245 -9.033 12.182 1.00 54.42 C ATOM 624 C GLU A 36 6.593 -10.404 11.610 1.00 3.20 C ATOM 625 O GLU A 36 7.313 -11.183 12.234 1.00 11.53 O ATOM 626 CB GLU A 36 4.929 -9.111 12.958 1.00 35.33 C ATOM 627 CG GLU A 36 4.805 -8.066 14.054 1.00 11.01 C ATOM 628 CD GLU A 36 3.607 -8.302 14.953 1.00 54.11 C ATOM 629 OE1 GLU A 36 2.492 -7.880 14.580 1.00 3.30 O ATOM 630 OE2 GLU A 36 3.784 -8.909 16.030 1.00 70.44 O ATOM 0 H GLU A 36 5.219 -7.635 11.001 1.00 32.24 H new ATOM 0 HA GLU A 36 7.042 -8.729 12.861 1.00 54.42 H new ATOM 0 HB2 GLU A 36 4.099 -8.995 12.261 1.00 35.33 H new ATOM 0 HB3 GLU A 36 4.837 -10.103 13.401 1.00 35.33 H new ATOM 0 HG2 GLU A 36 5.713 -8.068 14.657 1.00 11.01 H new ATOM 0 HG3 GLU A 36 4.725 -7.078 13.601 1.00 11.01 H new ATOM 637 N GLU A 37 6.077 -10.691 10.419 1.00 13.22 N ATOM 638 CA GLU A 37 6.332 -11.968 9.764 1.00 23.22 C ATOM 639 C GLU A 37 7.758 -12.027 9.224 1.00 42.23 C ATOM 640 O GLU A 37 8.428 -13.056 9.318 1.00 50.51 O ATOM 641 CB GLU A 37 5.334 -12.192 8.626 1.00 2.21 C ATOM 642 CG GLU A 37 4.231 -13.179 8.969 1.00 0.32 C ATOM 643 CD GLU A 37 2.998 -12.999 8.105 1.00 62.22 C ATOM 644 OE1 GLU A 37 3.126 -13.077 6.865 1.00 35.51 O ATOM 645 OE2 GLU A 37 1.906 -12.781 8.669 1.00 55.30 O ATOM 0 H GLU A 37 5.480 -10.056 9.888 1.00 13.22 H new ATOM 0 HA GLU A 37 6.209 -12.758 10.505 1.00 23.22 H new ATOM 0 HB2 GLU A 37 4.884 -11.237 8.355 1.00 2.21 H new ATOM 0 HB3 GLU A 37 5.871 -12.551 7.748 1.00 2.21 H new ATOM 0 HG2 GLU A 37 4.608 -14.195 8.851 1.00 0.32 H new ATOM 0 HG3 GLU A 37 3.956 -13.061 10.017 1.00 0.32 H new ATOM 652 N PHE A 38 8.216 -10.915 8.657 1.00 72.44 N ATOM 653 CA PHE A 38 9.561 -10.840 8.099 1.00 1.31 C ATOM 654 C PHE A 38 10.612 -11.080 9.179 1.00 33.52 C ATOM 655 O PHE A 38 11.586 -11.800 8.961 1.00 3.34 O ATOM 656 CB PHE A 38 9.789 -9.475 7.445 1.00 21.23 C ATOM 657 CG PHE A 38 10.562 -9.548 6.160 1.00 62.23 C ATOM 658 CD1 PHE A 38 10.011 -10.146 5.038 1.00 63.04 C ATOM 659 CD2 PHE A 38 11.840 -9.019 6.073 1.00 54.40 C ATOM 660 CE1 PHE A 38 10.721 -10.215 3.854 1.00 60.23 C ATOM 661 CE2 PHE A 38 12.554 -9.084 4.892 1.00 70.45 C ATOM 662 CZ PHE A 38 11.993 -9.683 3.780 1.00 3.42 C ATOM 0 H PHE A 38 7.675 -10.054 8.572 1.00 72.44 H new ATOM 0 HA PHE A 38 9.658 -11.619 7.343 1.00 1.31 H new ATOM 0 HB2 PHE A 38 8.823 -9.007 7.253 1.00 21.23 H new ATOM 0 HB3 PHE A 38 10.322 -8.830 8.144 1.00 21.23 H new ATOM 0 HD1 PHE A 38 9.016 -10.563 5.089 1.00 63.04 H new ATOM 0 HD2 PHE A 38 12.283 -8.550 6.939 1.00 54.40 H new ATOM 0 HE1 PHE A 38 10.281 -10.685 2.987 1.00 60.23 H new ATOM 0 HE2 PHE A 38 13.549 -8.667 4.838 1.00 70.45 H new ATOM 0 HZ PHE A 38 12.548 -9.735 2.855 1.00 3.42 H new ATOM 672 N GLN A 39 10.405 -10.473 10.343 1.00 2.02 N ATOM 673 CA GLN A 39 11.335 -10.620 11.457 1.00 71.23 C ATOM 674 C GLN A 39 11.128 -11.954 12.166 1.00 33.31 C ATOM 675 O GLN A 39 12.036 -12.469 12.817 1.00 44.02 O ATOM 676 CB GLN A 39 11.161 -9.469 12.449 1.00 25.00 C ATOM 677 CG GLN A 39 9.791 -9.434 13.106 1.00 1.42 C ATOM 678 CD GLN A 39 9.688 -10.372 14.292 1.00 3.14 C ATOM 679 OE1 GLN A 39 10.699 -10.790 14.858 1.00 44.15 O ATOM 680 NE2 GLN A 39 8.463 -10.709 14.677 1.00 53.51 N ATOM 0 H GLN A 39 9.602 -9.875 10.539 1.00 2.02 H new ATOM 0 HA GLN A 39 12.349 -10.595 11.057 1.00 71.23 H new ATOM 0 HB2 GLN A 39 11.924 -9.549 13.223 1.00 25.00 H new ATOM 0 HB3 GLN A 39 11.331 -8.525 11.931 1.00 25.00 H new ATOM 0 HG2 GLN A 39 9.575 -8.417 13.432 1.00 1.42 H new ATOM 0 HG3 GLN A 39 9.032 -9.701 12.370 1.00 1.42 H new ATOM 0 HE21 GLN A 39 7.652 -10.340 14.180 1.00 53.51 H new ATOM 0 HE22 GLN A 39 8.332 -11.337 15.470 1.00 53.51 H new ATOM 689 N GLU A 40 9.926 -12.508 12.036 1.00 62.03 N ATOM 690 CA GLU A 40 9.601 -13.782 12.666 1.00 15.00 C ATOM 691 C GLU A 40 10.071 -14.951 11.805 1.00 4.14 C ATOM 692 O GLU A 40 10.386 -16.026 12.317 1.00 44.53 O ATOM 693 CB GLU A 40 8.093 -13.886 12.907 1.00 61.50 C ATOM 694 CG GLU A 40 7.671 -15.190 13.564 1.00 13.32 C ATOM 695 CD GLU A 40 8.206 -15.332 14.976 1.00 44.33 C ATOM 696 OE1 GLU A 40 7.614 -14.733 15.898 1.00 54.14 O ATOM 697 OE2 GLU A 40 9.218 -16.041 15.159 1.00 51.35 O ATOM 0 H GLU A 40 9.162 -12.095 11.501 1.00 62.03 H new ATOM 0 HA GLU A 40 10.120 -13.827 13.624 1.00 15.00 H new ATOM 0 HB2 GLU A 40 7.775 -13.053 13.534 1.00 61.50 H new ATOM 0 HB3 GLU A 40 7.573 -13.784 11.954 1.00 61.50 H new ATOM 0 HG2 GLU A 40 6.583 -15.247 13.584 1.00 13.32 H new ATOM 0 HG3 GLU A 40 8.022 -16.027 12.960 1.00 13.32 H new ATOM 704 N VAL A 41 10.116 -14.733 10.495 1.00 51.12 N ATOM 705 CA VAL A 41 10.548 -15.767 9.562 1.00 3.12 C ATOM 706 C VAL A 41 12.054 -15.702 9.329 1.00 35.12 C ATOM 707 O VAL A 41 12.674 -16.689 8.932 1.00 2.44 O ATOM 708 CB VAL A 41 9.824 -15.640 8.209 1.00 45.05 C ATOM 709 CG1 VAL A 41 8.319 -15.753 8.395 1.00 21.21 C ATOM 710 CG2 VAL A 41 10.189 -14.328 7.531 1.00 52.40 C ATOM 0 H VAL A 41 9.859 -13.849 10.055 1.00 51.12 H new ATOM 0 HA VAL A 41 10.294 -16.727 10.012 1.00 3.12 H new ATOM 0 HB VAL A 41 10.148 -16.458 7.565 1.00 45.05 H new ATOM 0 HG11 VAL A 41 7.825 -15.661 7.428 1.00 21.21 H new ATOM 0 HG12 VAL A 41 8.078 -16.721 8.835 1.00 21.21 H new ATOM 0 HG13 VAL A 41 7.973 -14.958 9.056 1.00 21.21 H new ATOM 0 HG21 VAL A 41 9.668 -14.255 6.576 1.00 52.40 H new ATOM 0 HG22 VAL A 41 9.895 -13.495 8.169 1.00 52.40 H new ATOM 0 HG23 VAL A 41 11.265 -14.293 7.361 1.00 52.40 H new ATOM 720 N PHE A 42 12.636 -14.534 9.579 1.00 53.11 N ATOM 721 CA PHE A 42 14.069 -14.340 9.396 1.00 43.50 C ATOM 722 C PHE A 42 14.831 -14.673 10.675 1.00 10.15 C ATOM 723 O PHE A 42 15.851 -15.359 10.643 1.00 63.45 O ATOM 724 CB PHE A 42 14.360 -12.897 8.977 1.00 65.01 C ATOM 725 CG PHE A 42 14.175 -12.651 7.507 1.00 52.21 C ATOM 726 CD1 PHE A 42 13.232 -13.364 6.785 1.00 35.42 C ATOM 727 CD2 PHE A 42 14.943 -11.705 6.847 1.00 61.41 C ATOM 728 CE1 PHE A 42 13.059 -13.140 5.432 1.00 24.34 C ATOM 729 CE2 PHE A 42 14.775 -11.477 5.494 1.00 1.51 C ATOM 730 CZ PHE A 42 13.831 -12.194 4.786 1.00 21.43 C ATOM 0 H PHE A 42 12.137 -13.708 9.909 1.00 53.11 H new ATOM 0 HA PHE A 42 14.404 -15.015 8.608 1.00 43.50 H new ATOM 0 HB2 PHE A 42 13.706 -12.226 9.535 1.00 65.01 H new ATOM 0 HB3 PHE A 42 15.384 -12.646 9.253 1.00 65.01 H new ATOM 0 HD1 PHE A 42 12.625 -14.104 7.285 1.00 35.42 H new ATOM 0 HD2 PHE A 42 15.681 -11.139 7.396 1.00 61.41 H new ATOM 0 HE1 PHE A 42 12.321 -13.704 4.881 1.00 24.34 H new ATOM 0 HE2 PHE A 42 15.382 -10.739 4.991 1.00 1.51 H new ATOM 0 HZ PHE A 42 13.696 -12.016 3.729 1.00 21.43 H new ATOM 740 N GLY A 43 14.327 -14.180 11.803 1.00 73.31 N ATOM 741 CA GLY A 43 14.972 -14.435 13.078 1.00 74.33 C ATOM 742 C GLY A 43 15.360 -13.159 13.797 1.00 53.43 C ATOM 743 O GLY A 43 15.203 -13.051 15.013 1.00 60.24 O ATOM 0 H GLY A 43 13.484 -13.609 11.856 1.00 73.31 H new ATOM 0 HA2 GLY A 43 14.301 -15.016 13.711 1.00 74.33 H new ATOM 0 HA3 GLY A 43 15.863 -15.042 12.916 1.00 74.33 H new ATOM 747 N MET A 44 15.869 -12.189 13.044 1.00 2.12 N ATOM 748 CA MET A 44 16.281 -10.913 13.618 1.00 24.21 C ATOM 749 C MET A 44 15.080 -9.996 13.825 1.00 71.45 C ATOM 750 O MET A 44 13.934 -10.413 13.660 1.00 75.42 O ATOM 751 CB MET A 44 17.309 -10.231 12.713 1.00 10.22 C ATOM 752 CG MET A 44 16.898 -10.190 11.250 1.00 24.32 C ATOM 753 SD MET A 44 17.684 -11.485 10.272 1.00 23.32 S ATOM 754 CE MET A 44 18.526 -10.508 9.029 1.00 13.45 C ATOM 0 H MET A 44 16.006 -12.262 12.036 1.00 2.12 H new ATOM 0 HA MET A 44 16.736 -11.110 14.589 1.00 24.21 H new ATOM 0 HB2 MET A 44 17.472 -9.212 13.065 1.00 10.22 H new ATOM 0 HB3 MET A 44 18.261 -10.754 12.800 1.00 10.22 H new ATOM 0 HG2 MET A 44 15.815 -10.292 11.178 1.00 24.32 H new ATOM 0 HG3 MET A 44 17.155 -9.217 10.831 1.00 24.32 H new ATOM 0 HE1 MET A 44 19.516 -10.926 8.847 1.00 13.45 H new ATOM 0 HE2 MET A 44 17.950 -10.522 8.103 1.00 13.45 H new ATOM 0 HE3 MET A 44 18.625 -9.480 9.379 1.00 13.45 H new ATOM 764 N SER A 45 15.350 -8.746 14.186 1.00 23.33 N ATOM 765 CA SER A 45 14.291 -7.772 14.419 1.00 12.22 C ATOM 766 C SER A 45 13.993 -6.980 13.150 1.00 55.32 C ATOM 767 O SER A 45 14.877 -6.758 12.322 1.00 55.32 O ATOM 768 CB SER A 45 14.685 -6.818 15.548 1.00 5.23 C ATOM 769 OG SER A 45 14.978 -5.526 15.045 1.00 14.44 O ATOM 0 H SER A 45 16.294 -8.384 14.323 1.00 23.33 H new ATOM 0 HA SER A 45 13.391 -8.314 14.709 1.00 12.22 H new ATOM 0 HB2 SER A 45 13.874 -6.754 16.274 1.00 5.23 H new ATOM 0 HB3 SER A 45 15.554 -7.212 16.075 1.00 5.23 H new ATOM 0 HG SER A 45 15.225 -4.935 15.786 1.00 14.44 H new ATOM 775 N ILE A 46 12.741 -6.557 13.004 1.00 4.44 N ATOM 776 CA ILE A 46 12.326 -5.789 11.837 1.00 1.52 C ATOM 777 C ILE A 46 13.200 -4.552 11.653 1.00 20.51 C ATOM 778 O ILE A 46 13.424 -4.101 10.531 1.00 63.13 O ATOM 779 CB ILE A 46 10.854 -5.351 11.946 1.00 14.33 C ATOM 780 CG1 ILE A 46 10.283 -5.053 10.558 1.00 22.10 C ATOM 781 CG2 ILE A 46 10.729 -4.132 12.849 1.00 73.24 C ATOM 782 CD1 ILE A 46 10.464 -3.615 10.126 1.00 11.32 C ATOM 0 H ILE A 46 11.997 -6.733 13.679 1.00 4.44 H new ATOM 0 HA ILE A 46 12.439 -6.443 10.973 1.00 1.52 H new ATOM 0 HB ILE A 46 10.280 -6.166 12.387 1.00 14.33 H new ATOM 0 HG12 ILE A 46 10.763 -5.706 9.829 1.00 22.10 H new ATOM 0 HG13 ILE A 46 9.220 -5.295 10.552 1.00 22.10 H new ATOM 0 HG21 ILE A 46 9.683 -3.835 12.916 1.00 73.24 H new ATOM 0 HG22 ILE A 46 11.101 -4.377 13.844 1.00 73.24 H new ATOM 0 HG23 ILE A 46 11.314 -3.311 12.435 1.00 73.24 H new ATOM 0 HD11 ILE A 46 10.036 -3.477 9.133 1.00 11.32 H new ATOM 0 HD12 ILE A 46 9.960 -2.956 10.834 1.00 11.32 H new ATOM 0 HD13 ILE A 46 11.527 -3.374 10.099 1.00 11.32 H new ATOM 794 N GLU A 47 13.692 -4.011 12.763 1.00 32.44 N ATOM 795 CA GLU A 47 14.542 -2.828 12.724 1.00 45.35 C ATOM 796 C GLU A 47 15.843 -3.117 11.979 1.00 31.13 C ATOM 797 O GLU A 47 16.343 -2.276 11.233 1.00 12.13 O ATOM 798 CB GLU A 47 14.851 -2.346 14.143 1.00 54.23 C ATOM 799 CG GLU A 47 13.633 -2.310 15.051 1.00 1.30 C ATOM 800 CD GLU A 47 13.817 -1.383 16.237 1.00 24.11 C ATOM 801 OE1 GLU A 47 14.844 -1.512 16.936 1.00 23.52 O ATOM 802 OE2 GLU A 47 12.936 -0.529 16.466 1.00 34.45 O ATOM 0 H GLU A 47 13.516 -4.373 13.700 1.00 32.44 H new ATOM 0 HA GLU A 47 14.004 -2.044 12.191 1.00 45.35 H new ATOM 0 HB2 GLU A 47 15.604 -3.000 14.584 1.00 54.23 H new ATOM 0 HB3 GLU A 47 15.286 -1.348 14.092 1.00 54.23 H new ATOM 0 HG2 GLU A 47 12.765 -1.990 14.475 1.00 1.30 H new ATOM 0 HG3 GLU A 47 13.423 -3.317 15.411 1.00 1.30 H new ATOM 809 N GLU A 48 16.385 -4.313 12.189 1.00 14.22 N ATOM 810 CA GLU A 48 17.627 -4.712 11.539 1.00 24.45 C ATOM 811 C GLU A 48 17.501 -4.621 10.021 1.00 4.14 C ATOM 812 O GLU A 48 18.412 -4.151 9.339 1.00 62.41 O ATOM 813 CB GLU A 48 18.006 -6.138 11.946 1.00 72.22 C ATOM 814 CG GLU A 48 19.482 -6.450 11.768 1.00 22.13 C ATOM 815 CD GLU A 48 20.360 -5.697 12.749 1.00 34.34 C ATOM 816 OE1 GLU A 48 19.966 -5.583 13.929 1.00 1.42 O ATOM 817 OE2 GLU A 48 21.439 -5.223 12.338 1.00 11.11 O ATOM 0 H GLU A 48 15.984 -5.021 12.804 1.00 14.22 H new ATOM 0 HA GLU A 48 18.412 -4.028 11.862 1.00 24.45 H new ATOM 0 HB2 GLU A 48 17.734 -6.293 12.990 1.00 72.22 H new ATOM 0 HB3 GLU A 48 17.421 -6.843 11.356 1.00 72.22 H new ATOM 0 HG2 GLU A 48 19.641 -7.521 11.892 1.00 22.13 H new ATOM 0 HG3 GLU A 48 19.782 -6.199 10.751 1.00 22.13 H new ATOM 824 N PHE A 49 16.366 -5.074 9.499 1.00 3.35 N ATOM 825 CA PHE A 49 16.121 -5.045 8.062 1.00 33.03 C ATOM 826 C PHE A 49 16.247 -3.625 7.517 1.00 34.43 C ATOM 827 O PHE A 49 17.022 -3.369 6.596 1.00 72.22 O ATOM 828 CB PHE A 49 14.730 -5.602 7.750 1.00 41.20 C ATOM 829 CG PHE A 49 14.483 -6.962 8.337 1.00 2.13 C ATOM 830 CD1 PHE A 49 15.483 -7.921 8.342 1.00 62.00 C ATOM 831 CD2 PHE A 49 13.251 -7.281 8.885 1.00 24.33 C ATOM 832 CE1 PHE A 49 15.258 -9.174 8.881 1.00 2.51 C ATOM 833 CE2 PHE A 49 13.021 -8.532 9.426 1.00 34.23 C ATOM 834 CZ PHE A 49 14.026 -9.479 9.425 1.00 31.10 C ATOM 0 H PHE A 49 15.602 -5.465 10.049 1.00 3.35 H new ATOM 0 HA PHE A 49 16.872 -5.669 7.577 1.00 33.03 H new ATOM 0 HB2 PHE A 49 13.977 -4.910 8.128 1.00 41.20 H new ATOM 0 HB3 PHE A 49 14.602 -5.653 6.669 1.00 41.20 H new ATOM 0 HD1 PHE A 49 16.449 -7.687 7.920 1.00 62.00 H new ATOM 0 HD2 PHE A 49 12.462 -6.544 8.889 1.00 24.33 H new ATOM 0 HE1 PHE A 49 16.045 -9.914 8.877 1.00 2.51 H new ATOM 0 HE2 PHE A 49 12.056 -8.769 9.849 1.00 34.23 H new ATOM 0 HZ PHE A 49 13.849 -10.456 9.849 1.00 31.10 H new ATOM 844 N ASP A 50 15.479 -2.707 8.093 1.00 13.11 N ATOM 845 CA ASP A 50 15.504 -1.313 7.666 1.00 13.44 C ATOM 846 C ASP A 50 16.918 -0.747 7.742 1.00 43.42 C ATOM 847 O ASP A 50 17.327 0.046 6.892 1.00 35.45 O ATOM 848 CB ASP A 50 14.559 -0.476 8.531 1.00 43.45 C ATOM 849 CG ASP A 50 14.027 0.740 7.797 1.00 64.32 C ATOM 850 OD1 ASP A 50 14.800 1.702 7.604 1.00 10.12 O ATOM 851 OD2 ASP A 50 12.839 0.728 7.414 1.00 11.23 O ATOM 0 H ASP A 50 14.832 -2.903 8.857 1.00 13.11 H new ATOM 0 HA ASP A 50 15.170 -1.270 6.629 1.00 13.44 H new ATOM 0 HB2 ASP A 50 13.723 -1.096 8.855 1.00 43.45 H new ATOM 0 HB3 ASP A 50 15.084 -0.153 9.430 1.00 43.45 H new ATOM 856 N ARG A 51 17.661 -1.158 8.765 1.00 52.54 N ATOM 857 CA ARG A 51 19.029 -0.690 8.952 1.00 12.42 C ATOM 858 C ARG A 51 19.970 -1.342 7.944 1.00 72.14 C ATOM 859 O ARG A 51 21.011 -0.782 7.597 1.00 31.32 O ATOM 860 CB ARG A 51 19.502 -0.989 10.376 1.00 63.44 C ATOM 861 CG ARG A 51 19.263 0.152 11.350 1.00 3.41 C ATOM 862 CD ARG A 51 17.894 0.050 12.003 1.00 31.12 C ATOM 863 NE ARG A 51 17.708 1.056 13.045 1.00 54.41 N ATOM 864 CZ ARG A 51 16.517 1.436 13.495 1.00 1.24 C ATOM 865 NH1 ARG A 51 15.413 0.896 12.998 1.00 22.43 N ATOM 866 NH2 ARG A 51 16.429 2.358 14.445 1.00 1.35 N ATOM 0 H ARG A 51 17.338 -1.814 9.477 1.00 52.54 H new ATOM 0 HA ARG A 51 19.043 0.388 8.790 1.00 12.42 H new ATOM 0 HB2 ARG A 51 18.990 -1.879 10.740 1.00 63.44 H new ATOM 0 HB3 ARG A 51 20.567 -1.220 10.355 1.00 63.44 H new ATOM 0 HG2 ARG A 51 20.036 0.143 12.119 1.00 3.41 H new ATOM 0 HG3 ARG A 51 19.347 1.104 10.825 1.00 3.41 H new ATOM 0 HD2 ARG A 51 17.121 0.167 11.244 1.00 31.12 H new ATOM 0 HD3 ARG A 51 17.771 -0.944 12.433 1.00 31.12 H new ATOM 0 HE ARG A 51 18.537 1.491 13.449 1.00 54.41 H new ATOM 0 HH11 ARG A 51 15.476 0.187 12.268 1.00 22.43 H new ATOM 0 HH12 ARG A 51 14.500 1.190 13.346 1.00 22.43 H new ATOM 0 HH21 ARG A 51 17.276 2.776 14.830 1.00 1.35 H new ATOM 0 HH22 ARG A 51 15.514 2.649 14.790 1.00 1.35 H new ATOM 880 N LEU A 52 19.597 -2.529 7.477 1.00 41.55 N ATOM 881 CA LEU A 52 20.408 -3.258 6.508 1.00 73.32 C ATOM 882 C LEU A 52 20.192 -2.716 5.099 1.00 44.53 C ATOM 883 O LEU A 52 19.348 -1.847 4.880 1.00 64.14 O ATOM 884 CB LEU A 52 20.068 -4.749 6.550 1.00 64.34 C ATOM 885 CG LEU A 52 20.628 -5.532 7.738 1.00 11.11 C ATOM 886 CD1 LEU A 52 19.944 -6.885 7.856 1.00 63.35 C ATOM 887 CD2 LEU A 52 22.134 -5.703 7.603 1.00 70.04 C ATOM 0 H LEU A 52 18.739 -3.006 7.753 1.00 41.55 H new ATOM 0 HA LEU A 52 21.457 -3.122 6.773 1.00 73.32 H new ATOM 0 HB2 LEU A 52 18.983 -4.854 6.550 1.00 64.34 H new ATOM 0 HB3 LEU A 52 20.433 -5.210 5.632 1.00 64.34 H new ATOM 0 HG LEU A 52 20.428 -4.966 8.648 1.00 11.11 H new ATOM 0 HD11 LEU A 52 20.356 -7.428 8.707 1.00 63.35 H new ATOM 0 HD12 LEU A 52 18.874 -6.740 8.001 1.00 63.35 H new ATOM 0 HD13 LEU A 52 20.112 -7.458 6.944 1.00 63.35 H new ATOM 0 HD21 LEU A 52 22.515 -6.262 8.457 1.00 70.04 H new ATOM 0 HD22 LEU A 52 22.358 -6.246 6.685 1.00 70.04 H new ATOM 0 HD23 LEU A 52 22.610 -4.723 7.570 1.00 70.04 H new ATOM 899 N ALA A 53 20.960 -3.235 4.146 1.00 21.03 N ATOM 900 CA ALA A 53 20.850 -2.806 2.758 1.00 43.33 C ATOM 901 C ALA A 53 20.017 -3.789 1.943 1.00 32.22 C ATOM 902 O ALA A 53 19.634 -4.851 2.436 1.00 71.21 O ATOM 903 CB ALA A 53 22.233 -2.648 2.143 1.00 3.43 C ATOM 0 H ALA A 53 21.665 -3.953 4.311 1.00 21.03 H new ATOM 0 HA ALA A 53 20.344 -1.841 2.742 1.00 43.33 H new ATOM 0 HB1 ALA A 53 22.136 -2.327 1.106 1.00 3.43 H new ATOM 0 HB2 ALA A 53 22.797 -1.901 2.702 1.00 3.43 H new ATOM 0 HB3 ALA A 53 22.759 -3.602 2.180 1.00 3.43 H new ATOM 909 N LEU A 54 19.738 -3.429 0.695 1.00 21.32 N ATOM 910 CA LEU A 54 18.949 -4.280 -0.188 1.00 74.43 C ATOM 911 C LEU A 54 19.614 -5.641 -0.371 1.00 52.24 C ATOM 912 O LEU A 54 19.008 -6.679 -0.108 1.00 30.44 O ATOM 913 CB LEU A 54 18.762 -3.604 -1.548 1.00 31.14 C ATOM 914 CG LEU A 54 17.423 -3.853 -2.243 1.00 21.20 C ATOM 915 CD1 LEU A 54 17.585 -3.782 -3.753 1.00 72.05 C ATOM 916 CD2 LEU A 54 16.850 -5.201 -1.829 1.00 53.40 C ATOM 0 H LEU A 54 20.047 -2.554 0.272 1.00 21.32 H new ATOM 0 HA LEU A 54 17.973 -4.432 0.272 1.00 74.43 H new ATOM 0 HB2 LEU A 54 18.886 -2.529 -1.417 1.00 31.14 H new ATOM 0 HB3 LEU A 54 19.560 -3.939 -2.210 1.00 31.14 H new ATOM 0 HG LEU A 54 16.725 -3.074 -1.936 1.00 21.20 H new ATOM 0 HD11 LEU A 54 16.622 -3.962 -4.231 1.00 72.05 H new ATOM 0 HD12 LEU A 54 17.951 -2.794 -4.034 1.00 72.05 H new ATOM 0 HD13 LEU A 54 18.298 -4.539 -4.078 1.00 72.05 H new ATOM 0 HD21 LEU A 54 15.897 -5.362 -2.333 1.00 53.40 H new ATOM 0 HD22 LEU A 54 17.546 -5.993 -2.107 1.00 53.40 H new ATOM 0 HD23 LEU A 54 16.697 -5.215 -0.750 1.00 53.40 H new ATOM 928 N TRP A 55 20.863 -5.626 -0.823 1.00 32.55 N ATOM 929 CA TRP A 55 21.611 -6.860 -1.039 1.00 3.44 C ATOM 930 C TRP A 55 21.398 -7.835 0.114 1.00 42.22 C ATOM 931 O TRP A 55 21.246 -9.038 -0.098 1.00 32.12 O ATOM 932 CB TRP A 55 23.102 -6.555 -1.196 1.00 51.40 C ATOM 933 CG TRP A 55 23.759 -6.129 0.082 1.00 42.11 C ATOM 934 CD1 TRP A 55 23.896 -4.852 0.548 1.00 74.43 C ATOM 935 CD2 TRP A 55 24.371 -6.981 1.056 1.00 21.21 C ATOM 936 NE1 TRP A 55 24.555 -4.860 1.753 1.00 44.20 N ATOM 937 CE2 TRP A 55 24.857 -6.153 2.087 1.00 22.51 C ATOM 938 CE3 TRP A 55 24.554 -8.363 1.159 1.00 51.20 C ATOM 939 CZ2 TRP A 55 25.514 -6.664 3.204 1.00 41.24 C ATOM 940 CZ3 TRP A 55 25.206 -8.868 2.268 1.00 43.44 C ATOM 941 CH2 TRP A 55 25.679 -8.020 3.278 1.00 23.13 C ATOM 0 H TRP A 55 21.379 -4.775 -1.047 1.00 32.55 H new ATOM 0 HA TRP A 55 21.243 -7.323 -1.954 1.00 3.44 H new ATOM 0 HB2 TRP A 55 23.608 -7.441 -1.579 1.00 51.40 H new ATOM 0 HB3 TRP A 55 23.228 -5.769 -1.941 1.00 51.40 H new ATOM 0 HD1 TRP A 55 23.539 -3.967 0.043 1.00 74.43 H new ATOM 0 HE1 TRP A 55 24.783 -4.036 2.309 1.00 44.20 H new ATOM 0 HE3 TRP A 55 24.192 -9.024 0.386 1.00 51.20 H new ATOM 0 HZ2 TRP A 55 25.880 -6.013 3.984 1.00 41.24 H new ATOM 0 HZ3 TRP A 55 25.353 -9.934 2.358 1.00 43.44 H new ATOM 0 HH2 TRP A 55 26.184 -8.446 4.132 1.00 23.13 H new ATOM 952 N LYS A 56 21.388 -7.309 1.334 1.00 23.00 N ATOM 953 CA LYS A 56 21.192 -8.133 2.521 1.00 2.20 C ATOM 954 C LYS A 56 19.758 -8.646 2.596 1.00 32.12 C ATOM 955 O LYS A 56 19.525 -9.836 2.808 1.00 31.23 O ATOM 956 CB LYS A 56 21.526 -7.333 3.783 1.00 72.34 C ATOM 957 CG LYS A 56 21.657 -8.191 5.029 1.00 11.13 C ATOM 958 CD LYS A 56 23.042 -8.805 5.141 1.00 44.24 C ATOM 959 CE LYS A 56 23.237 -9.503 6.478 1.00 52.01 C ATOM 960 NZ LYS A 56 24.646 -9.412 6.952 1.00 54.44 N ATOM 0 H LYS A 56 21.513 -6.315 1.527 1.00 23.00 H new ATOM 0 HA LYS A 56 21.862 -8.990 2.453 1.00 2.20 H new ATOM 0 HB2 LYS A 56 22.459 -6.793 3.624 1.00 72.34 H new ATOM 0 HB3 LYS A 56 20.749 -6.586 3.946 1.00 72.34 H new ATOM 0 HG2 LYS A 56 21.454 -7.585 5.912 1.00 11.13 H new ATOM 0 HG3 LYS A 56 20.908 -8.983 5.007 1.00 11.13 H new ATOM 0 HD2 LYS A 56 23.191 -9.520 4.331 1.00 44.24 H new ATOM 0 HD3 LYS A 56 23.796 -8.027 5.022 1.00 44.24 H new ATOM 0 HE2 LYS A 56 22.575 -9.057 7.220 1.00 52.01 H new ATOM 0 HE3 LYS A 56 22.952 -10.551 6.385 1.00 52.01 H new ATOM 0 HZ1 LYS A 56 24.737 -9.900 7.866 1.00 54.44 H new ATOM 0 HZ2 LYS A 56 25.276 -9.860 6.256 1.00 54.44 H new ATOM 0 HZ3 LYS A 56 24.910 -8.413 7.065 1.00 54.44 H new ATOM 974 N ARG A 57 18.800 -7.741 2.420 1.00 63.43 N ATOM 975 CA ARG A 57 17.389 -8.103 2.467 1.00 31.53 C ATOM 976 C ARG A 57 17.078 -9.211 1.465 1.00 34.21 C ATOM 977 O ARG A 57 16.287 -10.111 1.746 1.00 64.35 O ATOM 978 CB ARG A 57 16.517 -6.880 2.179 1.00 33.30 C ATOM 979 CG ARG A 57 16.935 -5.639 2.949 1.00 3.51 C ATOM 980 CD ARG A 57 15.836 -5.168 3.888 1.00 35.32 C ATOM 981 NE ARG A 57 14.603 -4.852 3.172 1.00 35.12 N ATOM 982 CZ ARG A 57 13.667 -4.035 3.644 1.00 25.23 C ATOM 983 NH1 ARG A 57 13.825 -3.455 4.826 1.00 55.20 N ATOM 984 NH2 ARG A 57 12.573 -3.797 2.934 1.00 54.05 N ATOM 0 H ARG A 57 18.976 -6.752 2.244 1.00 63.43 H new ATOM 0 HA ARG A 57 17.167 -8.471 3.469 1.00 31.53 H new ATOM 0 HB2 ARG A 57 16.551 -6.663 1.111 1.00 33.30 H new ATOM 0 HB3 ARG A 57 15.481 -7.117 2.423 1.00 33.30 H new ATOM 0 HG2 ARG A 57 17.838 -5.852 3.522 1.00 3.51 H new ATOM 0 HG3 ARG A 57 17.183 -4.841 2.249 1.00 3.51 H new ATOM 0 HD2 ARG A 57 15.637 -5.942 4.630 1.00 35.32 H new ATOM 0 HD3 ARG A 57 16.176 -4.286 4.431 1.00 35.32 H new ATOM 0 HE ARG A 57 14.452 -5.282 2.259 1.00 35.12 H new ATOM 0 HH11 ARG A 57 14.666 -3.636 5.374 1.00 55.20 H new ATOM 0 HH12 ARG A 57 13.106 -2.828 5.187 1.00 55.20 H new ATOM 0 HH21 ARG A 57 12.449 -4.241 2.024 1.00 54.05 H new ATOM 0 HH22 ARG A 57 11.855 -3.170 3.298 1.00 54.05 H new ATOM 998 N ASN A 58 17.705 -9.137 0.295 1.00 34.15 N ATOM 999 CA ASN A 58 17.494 -10.133 -0.749 1.00 53.21 C ATOM 1000 C ASN A 58 18.047 -11.490 -0.327 1.00 24.24 C ATOM 1001 O ASN A 58 17.348 -12.502 -0.382 1.00 11.25 O ATOM 1002 CB ASN A 58 18.156 -9.683 -2.053 1.00 0.32 C ATOM 1003 CG ASN A 58 17.232 -8.838 -2.909 1.00 5.53 C ATOM 1004 OD1 ASN A 58 16.057 -9.162 -3.081 1.00 4.13 O ATOM 1005 ND2 ASN A 58 17.762 -7.747 -3.451 1.00 13.34 N ATOM 0 H ASN A 58 18.363 -8.398 0.047 1.00 34.15 H new ATOM 0 HA ASN A 58 16.420 -10.233 -0.909 1.00 53.21 H new ATOM 0 HB2 ASN A 58 19.056 -9.113 -1.822 1.00 0.32 H new ATOM 0 HB3 ASN A 58 18.471 -10.560 -2.619 1.00 0.32 H new ATOM 0 HD21 ASN A 58 17.190 -7.139 -4.037 1.00 13.34 H new ATOM 0 HD22 ASN A 58 18.741 -7.517 -3.281 1.00 13.34 H new ATOM 1012 N ASP A 59 19.307 -11.504 0.095 1.00 11.34 N ATOM 1013 CA ASP A 59 19.955 -12.736 0.529 1.00 32.12 C ATOM 1014 C ASP A 59 19.141 -13.422 1.622 1.00 74.54 C ATOM 1015 O ASP A 59 18.828 -14.610 1.524 1.00 12.12 O ATOM 1016 CB ASP A 59 21.368 -12.443 1.037 1.00 74.44 C ATOM 1017 CG ASP A 59 22.125 -13.705 1.400 1.00 64.24 C ATOM 1018 OD1 ASP A 59 22.687 -14.343 0.485 1.00 61.30 O ATOM 1019 OD2 ASP A 59 22.156 -14.055 2.598 1.00 21.32 O ATOM 0 H ASP A 59 19.900 -10.676 0.146 1.00 11.34 H new ATOM 0 HA ASP A 59 20.017 -13.406 -0.328 1.00 32.12 H new ATOM 0 HB2 ASP A 59 21.921 -11.899 0.271 1.00 74.44 H new ATOM 0 HB3 ASP A 59 21.310 -11.794 1.910 1.00 74.44 H new ATOM 1024 N LEU A 60 18.801 -12.669 2.661 1.00 4.44 N ATOM 1025 CA LEU A 60 18.024 -13.204 3.774 1.00 61.34 C ATOM 1026 C LEU A 60 16.693 -13.768 3.286 1.00 0.44 C ATOM 1027 O LEU A 60 16.227 -14.798 3.773 1.00 62.45 O ATOM 1028 CB LEU A 60 17.778 -12.116 4.820 1.00 30.33 C ATOM 1029 CG LEU A 60 19.019 -11.386 5.334 1.00 43.22 C ATOM 1030 CD1 LEU A 60 18.672 -9.961 5.735 1.00 1.42 C ATOM 1031 CD2 LEU A 60 19.634 -12.137 6.506 1.00 74.31 C ATOM 0 H LEU A 60 19.051 -11.685 2.757 1.00 4.44 H new ATOM 0 HA LEU A 60 18.596 -14.013 4.229 1.00 61.34 H new ATOM 0 HB2 LEU A 60 17.097 -11.378 4.395 1.00 30.33 H new ATOM 0 HB3 LEU A 60 17.268 -12.567 5.671 1.00 30.33 H new ATOM 0 HG LEU A 60 19.753 -11.347 4.529 1.00 43.22 H new ATOM 0 HD11 LEU A 60 19.568 -9.457 6.098 1.00 1.42 H new ATOM 0 HD12 LEU A 60 18.279 -9.425 4.871 1.00 1.42 H new ATOM 0 HD13 LEU A 60 17.920 -9.978 6.524 1.00 1.42 H new ATOM 0 HD21 LEU A 60 20.516 -11.602 6.858 1.00 74.31 H new ATOM 0 HD22 LEU A 60 18.906 -12.209 7.314 1.00 74.31 H new ATOM 0 HD23 LEU A 60 19.921 -13.139 6.186 1.00 74.31 H new ATOM 1043 N LYS A 61 16.086 -13.086 2.321 1.00 14.43 N ATOM 1044 CA LYS A 61 14.810 -13.519 1.764 1.00 14.54 C ATOM 1045 C LYS A 61 14.912 -14.934 1.205 1.00 22.03 C ATOM 1046 O LYS A 61 14.150 -15.821 1.590 1.00 61.43 O ATOM 1047 CB LYS A 61 14.357 -12.556 0.664 1.00 10.12 C ATOM 1048 CG LYS A 61 13.433 -11.457 1.160 1.00 71.02 C ATOM 1049 CD LYS A 61 12.642 -10.837 0.020 1.00 62.11 C ATOM 1050 CE LYS A 61 13.395 -9.678 -0.615 1.00 1.00 C ATOM 1051 NZ LYS A 61 12.507 -8.840 -1.467 1.00 52.12 N ATOM 0 H LYS A 61 16.457 -12.230 1.908 1.00 14.43 H new ATOM 0 HA LYS A 61 14.073 -13.517 2.567 1.00 14.54 H new ATOM 0 HB2 LYS A 61 15.236 -12.101 0.206 1.00 10.12 H new ATOM 0 HB3 LYS A 61 13.848 -13.122 -0.116 1.00 10.12 H new ATOM 0 HG2 LYS A 61 12.746 -11.865 1.901 1.00 71.02 H new ATOM 0 HG3 LYS A 61 14.019 -10.685 1.659 1.00 71.02 H new ATOM 0 HD2 LYS A 61 12.435 -11.595 -0.735 1.00 62.11 H new ATOM 0 HD3 LYS A 61 11.679 -10.487 0.392 1.00 62.11 H new ATOM 0 HE2 LYS A 61 13.837 -9.060 0.167 1.00 1.00 H new ATOM 0 HE3 LYS A 61 14.217 -10.065 -1.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 13.069 -8.394 -2.220 1.00 52.12 H new ATOM 0 HZ2 LYS A 61 11.770 -9.437 -1.893 1.00 52.12 H new ATOM 0 HZ3 LYS A 61 12.061 -8.103 -0.884 1.00 52.12 H new ATOM 1065 N LYS A 62 15.860 -15.139 0.297 1.00 72.21 N ATOM 1066 CA LYS A 62 16.065 -16.447 -0.314 1.00 31.44 C ATOM 1067 C LYS A 62 16.263 -17.520 0.752 1.00 22.24 C ATOM 1068 O LYS A 62 15.735 -18.627 0.641 1.00 54.53 O ATOM 1069 CB LYS A 62 17.276 -16.413 -1.249 1.00 12.53 C ATOM 1070 CG LYS A 62 17.145 -15.402 -2.375 1.00 63.45 C ATOM 1071 CD LYS A 62 18.376 -14.517 -2.476 1.00 12.45 C ATOM 1072 CE LYS A 62 18.192 -13.424 -3.517 1.00 44.52 C ATOM 1073 NZ LYS A 62 19.421 -12.598 -3.677 1.00 3.42 N ATOM 0 H LYS A 62 16.499 -14.415 -0.032 1.00 72.21 H new ATOM 0 HA LYS A 62 15.174 -16.693 -0.892 1.00 31.44 H new ATOM 0 HB2 LYS A 62 18.168 -16.183 -0.667 1.00 12.53 H new ATOM 0 HB3 LYS A 62 17.422 -17.405 -1.677 1.00 12.53 H new ATOM 0 HG2 LYS A 62 16.994 -15.925 -3.319 1.00 63.45 H new ATOM 0 HG3 LYS A 62 16.263 -14.783 -2.209 1.00 63.45 H new ATOM 0 HD2 LYS A 62 18.582 -14.066 -1.505 1.00 12.45 H new ATOM 0 HD3 LYS A 62 19.243 -15.125 -2.735 1.00 12.45 H new ATOM 0 HE2 LYS A 62 17.930 -13.875 -4.474 1.00 44.52 H new ATOM 0 HE3 LYS A 62 17.359 -12.783 -3.228 1.00 44.52 H new ATOM 0 HZ1 LYS A 62 19.211 -11.775 -4.278 1.00 3.42 H new ATOM 0 HZ2 LYS A 62 19.744 -12.272 -2.744 1.00 3.42 H new ATOM 0 HZ3 LYS A 62 20.168 -13.169 -4.121 1.00 3.42 H new ATOM 1087 N LYS A 63 17.027 -17.186 1.787 1.00 50.20 N ATOM 1088 CA LYS A 63 17.293 -18.119 2.875 1.00 2.23 C ATOM 1089 C LYS A 63 16.010 -18.458 3.627 1.00 3.25 C ATOM 1090 O LYS A 63 15.858 -19.563 4.147 1.00 2.35 O ATOM 1091 CB LYS A 63 18.322 -17.527 3.841 1.00 23.33 C ATOM 1092 CG LYS A 63 18.938 -18.553 4.777 1.00 64.23 C ATOM 1093 CD LYS A 63 19.687 -17.887 5.919 1.00 33.54 C ATOM 1094 CE LYS A 63 20.977 -17.240 5.439 1.00 74.51 C ATOM 1095 NZ LYS A 63 21.934 -17.014 6.557 1.00 33.22 N ATOM 0 H LYS A 63 17.473 -16.275 1.895 1.00 50.20 H new ATOM 0 HA LYS A 63 17.694 -19.037 2.444 1.00 2.23 H new ATOM 0 HB2 LYS A 63 19.115 -17.050 3.266 1.00 23.33 H new ATOM 0 HB3 LYS A 63 17.845 -16.747 4.434 1.00 23.33 H new ATOM 0 HG2 LYS A 63 18.155 -19.196 5.180 1.00 64.23 H new ATOM 0 HG3 LYS A 63 19.620 -19.194 4.218 1.00 64.23 H new ATOM 0 HD2 LYS A 63 19.051 -17.132 6.381 1.00 33.54 H new ATOM 0 HD3 LYS A 63 19.914 -18.627 6.687 1.00 33.54 H new ATOM 0 HE2 LYS A 63 21.443 -17.875 4.685 1.00 74.51 H new ATOM 0 HE3 LYS A 63 20.749 -16.289 4.958 1.00 74.51 H new ATOM 0 HZ1 LYS A 63 22.800 -16.572 6.189 1.00 33.22 H new ATOM 0 HZ2 LYS A 63 21.500 -16.388 7.265 1.00 33.22 H new ATOM 0 HZ3 LYS A 63 22.172 -17.924 7.000 1.00 33.22 H new ATOM 1109 N ALA A 64 15.090 -17.501 3.680 1.00 51.42 N ATOM 1110 CA ALA A 64 13.819 -17.700 4.365 1.00 11.41 C ATOM 1111 C ALA A 64 12.820 -18.425 3.470 1.00 62.30 C ATOM 1112 O ALA A 64 11.649 -18.572 3.821 1.00 54.22 O ATOM 1113 CB ALA A 64 13.250 -16.364 4.820 1.00 54.24 C ATOM 0 H ALA A 64 15.201 -16.580 3.257 1.00 51.42 H new ATOM 0 HA ALA A 64 14.001 -18.323 5.241 1.00 11.41 H new ATOM 0 HB1 ALA A 64 12.301 -16.528 5.330 1.00 54.24 H new ATOM 0 HB2 ALA A 64 13.951 -15.884 5.503 1.00 54.24 H new ATOM 0 HB3 ALA A 64 13.090 -15.722 3.953 1.00 54.24 H new ATOM 1119 N LEU A 65 13.290 -18.877 2.313 1.00 61.34 N ATOM 1120 CA LEU A 65 12.438 -19.588 1.366 1.00 55.02 C ATOM 1121 C LEU A 65 11.422 -18.643 0.732 1.00 42.34 C ATOM 1122 O LEU A 65 10.302 -19.042 0.409 1.00 25.45 O ATOM 1123 CB LEU A 65 11.712 -20.738 2.066 1.00 23.33 C ATOM 1124 CG LEU A 65 12.547 -21.557 3.052 1.00 51.10 C ATOM 1125 CD1 LEU A 65 11.647 -22.407 3.936 1.00 65.14 C ATOM 1126 CD2 LEU A 65 13.546 -22.430 2.308 1.00 63.44 C ATOM 0 H LEU A 65 14.257 -18.764 2.008 1.00 61.34 H new ATOM 0 HA LEU A 65 13.073 -19.993 0.578 1.00 55.02 H new ATOM 0 HB2 LEU A 65 10.854 -20.329 2.600 1.00 23.33 H new ATOM 0 HB3 LEU A 65 11.321 -21.412 1.304 1.00 23.33 H new ATOM 0 HG LEU A 65 13.101 -20.868 3.689 1.00 51.10 H new ATOM 0 HD11 LEU A 65 12.258 -22.983 4.631 1.00 65.14 H new ATOM 0 HD12 LEU A 65 10.972 -21.760 4.496 1.00 65.14 H new ATOM 0 HD13 LEU A 65 11.065 -23.088 3.315 1.00 65.14 H new ATOM 0 HD21 LEU A 65 14.131 -23.005 3.025 1.00 63.44 H new ATOM 0 HD22 LEU A 65 13.012 -23.111 1.646 1.00 63.44 H new ATOM 0 HD23 LEU A 65 14.212 -21.800 1.719 1.00 63.44 H new ATOM 1138 N LEU A 66 11.821 -17.388 0.553 1.00 32.21 N ATOM 1139 CA LEU A 66 10.946 -16.385 -0.045 1.00 65.43 C ATOM 1140 C LEU A 66 11.136 -16.331 -1.558 1.00 13.11 C ATOM 1141 O LEU A 66 10.198 -16.041 -2.301 1.00 70.23 O ATOM 1142 CB LEU A 66 11.223 -15.010 0.565 1.00 72.05 C ATOM 1143 CG LEU A 66 10.299 -14.584 1.706 1.00 20.12 C ATOM 1144 CD1 LEU A 66 11.018 -13.630 2.647 1.00 50.42 C ATOM 1145 CD2 LEU A 66 9.033 -13.942 1.157 1.00 64.12 C ATOM 0 H LEU A 66 12.744 -17.041 0.813 1.00 32.21 H new ATOM 0 HA LEU A 66 9.914 -16.667 0.164 1.00 65.43 H new ATOM 0 HB2 LEU A 66 12.250 -14.997 0.931 1.00 72.05 H new ATOM 0 HB3 LEU A 66 11.158 -14.264 -0.227 1.00 72.05 H new ATOM 0 HG LEU A 66 10.016 -15.473 2.269 1.00 20.12 H new ATOM 0 HD11 LEU A 66 10.345 -13.337 3.453 1.00 50.42 H new ATOM 0 HD12 LEU A 66 11.894 -14.125 3.067 1.00 50.42 H new ATOM 0 HD13 LEU A 66 11.332 -12.743 2.096 1.00 50.42 H new ATOM 0 HD21 LEU A 66 8.388 -13.645 1.984 1.00 64.12 H new ATOM 0 HD22 LEU A 66 9.296 -13.063 0.569 1.00 64.12 H new ATOM 0 HD23 LEU A 66 8.507 -14.657 0.525 1.00 64.12 H new ATOM 1157 N PHE A 67 12.354 -16.613 -2.007 1.00 70.42 N ATOM 1158 CA PHE A 67 12.666 -16.598 -3.432 1.00 2.25 C ATOM 1159 C PHE A 67 12.919 -18.011 -3.948 1.00 72.14 C ATOM 1160 O PHE A 67 13.212 -18.922 -3.175 1.00 2.11 O ATOM 1161 CB PHE A 67 13.890 -15.719 -3.697 1.00 63.14 C ATOM 1162 CG PHE A 67 13.626 -14.252 -3.516 1.00 54.23 C ATOM 1163 CD1 PHE A 67 12.336 -13.787 -3.314 1.00 1.22 C ATOM 1164 CD2 PHE A 67 14.666 -13.337 -3.548 1.00 21.50 C ATOM 1165 CE1 PHE A 67 12.090 -12.437 -3.148 1.00 32.13 C ATOM 1166 CE2 PHE A 67 14.426 -11.986 -3.382 1.00 71.40 C ATOM 1167 CZ PHE A 67 13.136 -11.536 -3.181 1.00 1.14 C ATOM 0 H PHE A 67 13.141 -16.855 -1.405 1.00 70.42 H new ATOM 0 HA PHE A 67 11.808 -16.185 -3.963 1.00 2.25 H new ATOM 0 HB2 PHE A 67 14.695 -16.020 -3.027 1.00 63.14 H new ATOM 0 HB3 PHE A 67 14.239 -15.894 -4.715 1.00 63.14 H new ATOM 0 HD1 PHE A 67 11.514 -14.487 -3.286 1.00 1.22 H new ATOM 0 HD2 PHE A 67 15.677 -13.684 -3.705 1.00 21.50 H new ATOM 0 HE1 PHE A 67 11.080 -12.087 -2.993 1.00 32.13 H new ATOM 0 HE2 PHE A 67 15.246 -11.284 -3.409 1.00 71.40 H new ATOM 0 HZ PHE A 67 12.945 -10.481 -3.050 1.00 1.14 H new TER 1177 PHE A 67