USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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 66 HIS : no HE2:sc= 0.719 K(o=0.47,f=-3.1!) USER MOD Set 1.2: B 112 GLN : amide:sc= -0.25 K(o=0.47,f=0.98) USER MOD Set 2.1: A 46 TYR OH : rot -164:sc= 2.22 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -179:sc= 2.19 (180deg=1.07) USER MOD Set 3.1: A 20 HIS : no HD1:sc= 0.318 K(o=0.63,f=-2) USER MOD Set 3.2: A 24 GLN : amide:sc= 0.313 K(o=0.63,f=-1.8!) USER MOD Set 4.1: A 17 HIS : no HE2:sc= -1.33 K(o=-8.2,f=-17!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 174:sc= -4.09! (180deg=-4.38!) USER MOD Set 4.3: A 65 TYR OH : rot 31:sc= -3.73! USER MOD Set 4.4: B 119 SER OG : rot 73:sc= 0.909 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 9 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.58) USER MOD Single : A 11 THR OG1 : rot 123:sc= 1.37 USER MOD Single : A 12 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.82) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -123:sc= -0.0384 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -0.959 (180deg=-3.17!) USER MOD Single : A 40 MET CE :methyl -137:sc= -3.22! (180deg=-5.97!) USER MOD Single : A 42 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.91) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc=-0.00409 (180deg=-0.118) USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= 2.31 (180deg=0.524) USER MOD Single : A 54 MET CE :methyl 164:sc= -1.63 (180deg=-2.41!) USER MOD Single : A 55 TYR OH : rot -175:sc= -1.87! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.764 K(o=0.76,f=-0.011) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 64 TYR OH : rot 64:sc= 1.19 USER MOD Single : A 73 TYR OH : rot -130:sc= 1.27 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.77 K(o=-0.77,f=-1.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 THR OG1 : rot 25:sc= 0.241 USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot -88:sc= 1.24 USER MOD Single : B 141 MET CE :methyl -122:sc= -1.01 (180deg=-3!) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.376 -0.905 -5.730 1.00 0.00 N ATOM 73 CA GLY A 5 22.873 -1.477 -4.473 1.00 0.00 C ATOM 74 C GLY A 5 22.050 -1.170 -3.248 1.00 0.00 C ATOM 75 O GLY A 5 22.179 -1.851 -2.220 1.00 0.00 O ATOM 0 HA2 GLY A 5 22.934 -2.559 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.888 -1.116 -4.307 1.00 0.00 H new ATOM 79 N TRP A 6 21.179 -0.194 -3.341 1.00 0.00 N ATOM 80 CA TRP A 6 20.342 0.178 -2.221 1.00 0.00 C ATOM 81 C TRP A 6 19.330 -0.907 -1.869 1.00 0.00 C ATOM 82 O TRP A 6 18.669 -0.822 -0.842 1.00 0.00 O ATOM 83 CB TRP A 6 19.625 1.498 -2.459 1.00 0.00 C ATOM 84 CG TRP A 6 18.691 1.509 -3.623 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.976 1.914 -4.872 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.312 1.099 -3.639 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.869 1.825 -5.662 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.835 1.315 -4.929 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.442 0.576 -2.685 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.527 1.036 -5.293 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.144 0.296 -3.050 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.700 0.525 -4.340 1.00 0.00 C ATOM 0 H TRP A 6 21.030 0.360 -4.184 1.00 0.00 H new ATOM 0 HA TRP A 6 21.016 0.300 -1.373 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.065 1.757 -1.561 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.372 2.278 -2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.944 2.261 -5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.820 2.096 -6.644 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.780 0.393 -1.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.176 1.218 -6.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.462 -0.109 -2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.677 0.294 -4.596 1.00 0.00 H new ATOM 103 N HIS A 7 19.212 -1.923 -2.707 1.00 0.00 N ATOM 104 CA HIS A 7 18.275 -3.007 -2.460 1.00 0.00 C ATOM 105 C HIS A 7 18.698 -3.823 -1.227 1.00 0.00 C ATOM 106 O HIS A 7 17.904 -4.549 -0.645 1.00 0.00 O ATOM 107 CB HIS A 7 18.093 -3.906 -3.705 1.00 0.00 C ATOM 108 CG HIS A 7 19.245 -4.813 -4.055 1.00 0.00 C ATOM 109 ND1 HIS A 7 19.083 -6.129 -4.398 1.00 0.00 N ATOM 110 CD2 HIS A 7 20.573 -4.565 -4.151 1.00 0.00 C ATOM 111 CE1 HIS A 7 20.271 -6.635 -4.684 1.00 0.00 C ATOM 112 NE2 HIS A 7 21.223 -5.720 -4.553 1.00 0.00 N ATOM 0 H HIS A 7 19.754 -2.020 -3.566 1.00 0.00 H new ATOM 0 HA HIS A 7 17.302 -2.562 -2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.207 -4.523 -3.554 1.00 0.00 H new ATOM 0 HB3 HIS A 7 17.892 -3.264 -4.563 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.049 -3.617 -3.947 1.00 0.00 H new ATOM 0 HE1 HIS A 7 20.443 -7.658 -4.985 1.00 0.00 H new ATOM 0 HE2 HIS A 7 22.223 -5.842 -4.714 1.00 0.00 H new ATOM 120 N GLU A 8 19.957 -3.678 -0.828 1.00 0.00 N ATOM 121 CA GLU A 8 20.455 -4.332 0.372 1.00 0.00 C ATOM 122 C GLU A 8 20.074 -3.515 1.601 1.00 0.00 C ATOM 123 O GLU A 8 20.193 -3.971 2.725 1.00 0.00 O ATOM 124 CB GLU A 8 21.972 -4.514 0.320 1.00 0.00 C ATOM 125 CG GLU A 8 22.461 -5.373 -0.831 1.00 0.00 C ATOM 126 CD GLU A 8 23.948 -5.626 -0.764 1.00 0.00 C ATOM 127 OE1 GLU A 8 24.371 -6.526 -0.036 1.00 0.00 O ATOM 128 OE2 GLU A 8 24.729 -4.909 -1.431 1.00 0.00 O ATOM 0 H GLU A 8 20.650 -3.113 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 8 19.999 -5.320 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.441 -3.533 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.305 -4.960 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 8 21.932 -6.326 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.220 -4.884 -1.775 1.00 0.00 H new ATOM 135 N HIS A 9 19.577 -2.319 1.362 1.00 0.00 N ATOM 136 CA HIS A 9 19.193 -1.401 2.427 1.00 0.00 C ATOM 137 C HIS A 9 17.700 -1.515 2.680 1.00 0.00 C ATOM 138 O HIS A 9 17.126 -0.762 3.458 1.00 0.00 O ATOM 139 CB HIS A 9 19.520 0.058 2.047 1.00 0.00 C ATOM 140 CG HIS A 9 20.974 0.363 1.812 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.670 1.337 2.484 1.00 0.00 N ATOM 142 CD2 HIS A 9 21.844 -0.152 0.909 1.00 0.00 C ATOM 143 CE1 HIS A 9 22.902 1.391 1.979 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.059 0.504 1.017 1.00 0.00 N ATOM 0 H HIS A 9 19.426 -1.950 0.423 1.00 0.00 H new ATOM 0 HA HIS A 9 19.754 -1.667 3.323 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.964 0.312 1.144 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.155 0.711 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.624 -0.949 0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.671 2.072 2.314 1.00 0.00 H new ATOM 0 HE2 HIS A 9 23.901 0.336 0.466 1.00 0.00 H new ATOM 152 N VAL A 10 17.076 -2.434 2.003 1.00 0.00 N ATOM 153 CA VAL A 10 15.666 -2.646 2.132 1.00 0.00 C ATOM 154 C VAL A 10 15.382 -4.139 2.168 1.00 0.00 C ATOM 155 O VAL A 10 15.587 -4.868 1.195 1.00 0.00 O ATOM 156 CB VAL A 10 14.876 -1.899 1.005 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.316 -2.284 -0.390 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.376 -2.025 1.178 1.00 0.00 C ATOM 0 H VAL A 10 17.535 -3.061 1.342 1.00 0.00 H new ATOM 0 HA VAL A 10 15.315 -2.219 3.072 1.00 0.00 H new ATOM 0 HB VAL A 10 15.128 -0.845 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.729 -1.730 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.372 -2.046 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.165 -3.353 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.871 -1.491 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.093 -3.077 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.083 -1.597 2.137 1.00 0.00 H new ATOM 168 N THR A 11 14.976 -4.590 3.303 1.00 0.00 N ATOM 169 CA THR A 11 14.726 -5.964 3.525 1.00 0.00 C ATOM 170 C THR A 11 13.331 -6.372 3.139 1.00 0.00 C ATOM 171 O THR A 11 12.430 -5.525 2.998 1.00 0.00 O ATOM 172 CB THR A 11 14.995 -6.290 4.973 1.00 0.00 C ATOM 173 OG1 THR A 11 14.801 -5.091 5.767 1.00 0.00 O ATOM 174 CG2 THR A 11 16.392 -6.832 5.128 1.00 0.00 C ATOM 0 H THR A 11 14.806 -3.999 4.117 1.00 0.00 H new ATOM 0 HA THR A 11 15.399 -6.533 2.883 1.00 0.00 H new ATOM 0 HB THR A 11 14.303 -7.057 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.129 -5.262 6.460 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.578 -7.065 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.499 -7.738 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.111 -6.086 4.789 1.00 0.00 H new ATOM 182 N GLN A 12 13.155 -7.677 2.989 1.00 0.00 N ATOM 183 CA GLN A 12 11.906 -8.280 2.596 1.00 0.00 C ATOM 184 C GLN A 12 10.829 -7.937 3.610 1.00 0.00 C ATOM 185 O GLN A 12 9.705 -7.661 3.243 1.00 0.00 O ATOM 186 CB GLN A 12 12.105 -9.800 2.423 1.00 0.00 C ATOM 187 CG GLN A 12 10.919 -10.586 1.853 1.00 0.00 C ATOM 188 CD GLN A 12 9.803 -10.891 2.838 1.00 0.00 C ATOM 189 OE1 GLN A 12 8.644 -10.972 2.456 1.00 0.00 O ATOM 190 NE2 GLN A 12 10.139 -11.121 4.083 1.00 0.00 N ATOM 0 H GLN A 12 13.900 -8.356 3.143 1.00 0.00 H new ATOM 0 HA GLN A 12 11.574 -7.885 1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.964 -9.959 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.359 -10.223 3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.500 -10.024 1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.290 -11.528 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.115 -11.045 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.425 -11.376 4.765 1.00 0.00 H new ATOM 199 N ASP A 13 11.213 -7.891 4.865 1.00 0.00 N ATOM 200 CA ASP A 13 10.304 -7.529 5.952 1.00 0.00 C ATOM 201 C ASP A 13 9.664 -6.146 5.753 1.00 0.00 C ATOM 202 O ASP A 13 8.440 -6.001 5.841 1.00 0.00 O ATOM 203 CB ASP A 13 10.989 -7.627 7.343 1.00 0.00 C ATOM 204 CG ASP A 13 12.377 -6.976 7.444 1.00 0.00 C ATOM 205 OD1 ASP A 13 12.566 -5.814 7.054 1.00 0.00 O ATOM 206 OD2 ASP A 13 13.326 -7.663 7.885 1.00 0.00 O ATOM 0 H ASP A 13 12.163 -8.102 5.171 1.00 0.00 H new ATOM 0 HA ASP A 13 9.499 -8.263 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.336 -7.166 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.080 -8.680 7.610 1.00 0.00 H new ATOM 211 N LEU A 14 10.475 -5.179 5.383 1.00 0.00 N ATOM 212 CA LEU A 14 10.049 -3.801 5.246 1.00 0.00 C ATOM 213 C LEU A 14 9.122 -3.688 4.047 1.00 0.00 C ATOM 214 O LEU A 14 7.988 -3.197 4.144 1.00 0.00 O ATOM 215 CB LEU A 14 11.331 -2.900 5.119 1.00 0.00 C ATOM 216 CG LEU A 14 11.194 -1.345 4.996 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.707 -0.912 3.654 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.264 -0.793 6.028 1.00 0.00 C ATOM 0 H LEU A 14 11.460 -5.328 5.166 1.00 0.00 H new ATOM 0 HA LEU A 14 9.488 -3.460 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.955 -3.101 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.883 -3.246 4.245 1.00 0.00 H new ATOM 0 HG LEU A 14 12.200 -0.955 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.632 0.175 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.407 -1.246 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.726 -1.348 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.193 0.289 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.276 -1.237 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.643 -1.028 7.023 1.00 0.00 H new ATOM 230 N ARG A 15 9.583 -4.205 2.951 1.00 0.00 N ATOM 231 CA ARG A 15 8.856 -4.132 1.714 1.00 0.00 C ATOM 232 C ARG A 15 7.566 -4.926 1.736 1.00 0.00 C ATOM 233 O ARG A 15 6.537 -4.439 1.293 1.00 0.00 O ATOM 234 CB ARG A 15 9.738 -4.521 0.562 1.00 0.00 C ATOM 235 CG ARG A 15 10.420 -5.839 0.692 1.00 0.00 C ATOM 236 CD ARG A 15 11.535 -5.938 -0.297 1.00 0.00 C ATOM 237 NE ARG A 15 11.039 -5.729 -1.665 1.00 0.00 N ATOM 238 CZ ARG A 15 11.476 -6.341 -2.758 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.545 -7.124 -2.716 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.850 -6.142 -3.901 1.00 0.00 N ATOM 0 H ARG A 15 10.477 -4.692 2.885 1.00 0.00 H new ATOM 0 HA ARG A 15 8.555 -3.093 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.136 -4.531 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.497 -3.750 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.809 -5.958 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.705 -6.645 0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.300 -5.197 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.008 -6.917 -0.222 1.00 0.00 H new ATOM 0 HE ARG A 15 10.288 -5.049 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.042 -7.262 -1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.870 -7.589 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.040 -5.523 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.176 -6.607 -4.749 1.00 0.00 H new ATOM 254 N SER A 16 7.599 -6.111 2.315 1.00 0.00 N ATOM 255 CA SER A 16 6.427 -6.941 2.370 1.00 0.00 C ATOM 256 C SER A 16 5.421 -6.331 3.343 1.00 0.00 C ATOM 257 O SER A 16 4.202 -6.544 3.218 1.00 0.00 O ATOM 258 CB SER A 16 6.797 -8.369 2.766 1.00 0.00 C ATOM 259 OG SER A 16 5.706 -9.269 2.606 1.00 0.00 O ATOM 0 H SER A 16 8.428 -6.514 2.752 1.00 0.00 H new ATOM 0 HA SER A 16 5.968 -6.989 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.637 -8.707 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.128 -8.382 3.804 1.00 0.00 H new ATOM 0 HG SER A 16 5.985 -10.171 2.868 1.00 0.00 H new ATOM 265 N HIS A 17 5.919 -5.551 4.301 1.00 0.00 N ATOM 266 CA HIS A 17 5.048 -4.841 5.195 1.00 0.00 C ATOM 267 C HIS A 17 4.288 -3.760 4.411 1.00 0.00 C ATOM 268 O HIS A 17 3.092 -3.532 4.631 1.00 0.00 O ATOM 269 CB HIS A 17 5.818 -4.199 6.349 1.00 0.00 C ATOM 270 CG HIS A 17 4.890 -3.689 7.389 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.379 -4.454 8.400 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.304 -2.489 7.498 1.00 0.00 C ATOM 273 CE1 HIS A 17 3.507 -3.728 9.065 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.420 -2.513 8.557 1.00 0.00 N ATOM 0 H HIS A 17 6.915 -5.404 4.466 1.00 0.00 H new ATOM 0 HA HIS A 17 4.347 -5.557 5.625 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.497 -4.930 6.789 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.431 -3.381 5.971 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.631 -5.421 8.604 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.493 -1.639 6.859 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.938 -4.079 9.913 1.00 0.00 H new ATOM 282 N LEU A 18 4.982 -3.098 3.511 1.00 0.00 N ATOM 283 CA LEU A 18 4.352 -2.083 2.652 1.00 0.00 C ATOM 284 C LEU A 18 3.340 -2.748 1.741 1.00 0.00 C ATOM 285 O LEU A 18 2.295 -2.194 1.470 1.00 0.00 O ATOM 286 CB LEU A 18 5.392 -1.311 1.824 1.00 0.00 C ATOM 287 CG LEU A 18 6.303 -0.270 2.534 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.314 -0.440 4.036 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.689 -0.488 2.058 1.00 0.00 C ATOM 0 H LEU A 18 5.979 -3.234 3.345 1.00 0.00 H new ATOM 0 HA LEU A 18 3.848 -1.360 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.042 -2.044 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.858 -0.792 1.028 1.00 0.00 H new ATOM 0 HG LEU A 18 5.921 0.724 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.965 0.312 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.302 -0.320 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.683 -1.435 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.356 0.228 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.004 -1.501 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.728 -0.352 0.977 1.00 0.00 H new ATOM 301 N VAL A 19 3.664 -3.954 1.302 1.00 0.00 N ATOM 302 CA VAL A 19 2.762 -4.797 0.507 1.00 0.00 C ATOM 303 C VAL A 19 1.475 -5.071 1.313 1.00 0.00 C ATOM 304 O VAL A 19 0.354 -4.962 0.801 1.00 0.00 O ATOM 305 CB VAL A 19 3.462 -6.151 0.160 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.557 -7.089 -0.571 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.685 -5.915 -0.673 1.00 0.00 C ATOM 0 H VAL A 19 4.569 -4.387 1.486 1.00 0.00 H new ATOM 0 HA VAL A 19 2.511 -4.280 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 19 3.736 -6.608 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.091 -8.014 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.686 -7.309 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.233 -6.629 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.158 -6.870 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.403 -5.416 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.385 -5.287 -0.122 1.00 0.00 H new ATOM 317 N HIS A 20 1.668 -5.396 2.581 1.00 0.00 N ATOM 318 CA HIS A 20 0.588 -5.623 3.533 1.00 0.00 C ATOM 319 C HIS A 20 -0.292 -4.363 3.647 1.00 0.00 C ATOM 320 O HIS A 20 -1.523 -4.439 3.664 1.00 0.00 O ATOM 321 CB HIS A 20 1.212 -6.005 4.894 1.00 0.00 C ATOM 322 CG HIS A 20 0.268 -6.094 6.049 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.360 -5.286 7.161 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.769 -6.929 6.272 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.596 -5.639 8.011 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.322 -6.642 7.521 1.00 0.00 N ATOM 0 H HIS A 20 2.596 -5.512 2.987 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.055 -6.436 3.195 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.711 -6.968 4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.982 -5.272 5.136 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.115 -7.695 5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.763 -5.175 8.972 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.116 -7.104 7.965 1.00 0.00 H new ATOM 334 N LYS A 21 0.351 -3.222 3.694 1.00 0.00 N ATOM 335 CA LYS A 21 -0.342 -1.960 3.753 1.00 0.00 C ATOM 336 C LYS A 21 -1.022 -1.602 2.456 1.00 0.00 C ATOM 337 O LYS A 21 -2.113 -1.048 2.478 1.00 0.00 O ATOM 338 CB LYS A 21 0.546 -0.857 4.315 1.00 0.00 C ATOM 339 CG LYS A 21 0.499 -0.889 5.815 1.00 0.00 C ATOM 340 CD LYS A 21 1.585 -0.180 6.524 1.00 0.00 C ATOM 341 CE LYS A 21 1.256 -0.282 8.003 1.00 0.00 C ATOM 342 NZ LYS A 21 2.324 0.169 8.888 1.00 0.00 N ATOM 0 H LYS A 21 1.368 -3.143 3.692 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.160 -2.074 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.571 -0.990 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.211 0.114 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.452 -0.464 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.506 -1.931 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.553 -0.632 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.642 0.862 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.360 0.305 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.018 -1.319 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.986 0.163 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.141 -0.469 8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.608 1.134 8.625 1.00 0.00 H new ATOM 356 N LEU A 22 -0.397 -1.941 1.334 1.00 0.00 N ATOM 357 CA LEU A 22 -1.007 -1.763 0.018 1.00 0.00 C ATOM 358 C LEU A 22 -2.323 -2.509 -0.022 1.00 0.00 C ATOM 359 O LEU A 22 -3.332 -1.969 -0.461 1.00 0.00 O ATOM 360 CB LEU A 22 -0.065 -2.239 -1.104 1.00 0.00 C ATOM 361 CG LEU A 22 1.171 -1.367 -1.378 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.127 -2.078 -2.320 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.748 -0.071 -2.019 1.00 0.00 C ATOM 0 H LEU A 22 0.540 -2.344 1.308 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.190 -0.702 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.275 -3.245 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.642 -2.312 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 22 1.670 -1.175 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.996 -1.446 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.450 -3.017 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.622 -2.282 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.627 0.544 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.238 -0.280 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.072 0.462 -1.350 1.00 0.00 H new ATOM 375 N VAL A 23 -2.299 -3.728 0.501 1.00 0.00 N ATOM 376 CA VAL A 23 -3.485 -4.550 0.661 1.00 0.00 C ATOM 377 C VAL A 23 -4.548 -3.856 1.522 1.00 0.00 C ATOM 378 O VAL A 23 -5.687 -3.748 1.117 1.00 0.00 O ATOM 379 CB VAL A 23 -3.122 -5.939 1.268 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.312 -6.559 1.996 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.719 -6.860 0.150 1.00 0.00 C ATOM 0 H VAL A 23 -1.444 -4.176 0.829 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.907 -4.701 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.311 -5.800 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.023 -7.527 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.627 -5.900 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.137 -6.693 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.462 -7.837 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.547 -6.966 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.855 -6.445 -0.370 1.00 0.00 H new ATOM 391 N GLN A 24 -4.163 -3.361 2.685 1.00 0.00 N ATOM 392 CA GLN A 24 -5.139 -2.758 3.586 1.00 0.00 C ATOM 393 C GLN A 24 -5.662 -1.417 3.107 1.00 0.00 C ATOM 394 O GLN A 24 -6.670 -0.916 3.626 1.00 0.00 O ATOM 395 CB GLN A 24 -4.642 -2.674 5.017 1.00 0.00 C ATOM 396 CG GLN A 24 -4.423 -4.030 5.639 1.00 0.00 C ATOM 397 CD GLN A 24 -4.400 -3.976 7.147 1.00 0.00 C ATOM 398 OE1 GLN A 24 -5.004 -3.108 7.753 1.00 0.00 O ATOM 399 NE2 GLN A 24 -3.751 -4.909 7.760 1.00 0.00 N ATOM 0 H GLN A 24 -3.202 -3.362 3.026 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.987 -3.442 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.708 -2.113 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.363 -2.117 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.213 -4.707 5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.481 -4.444 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.255 -5.622 7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.734 -4.933 8.780 1.00 0.00 H new ATOM 408 N ALA A 25 -4.950 -0.814 2.191 1.00 0.00 N ATOM 409 CA ALA A 25 -5.384 0.405 1.571 1.00 0.00 C ATOM 410 C ALA A 25 -6.344 0.139 0.452 1.00 0.00 C ATOM 411 O ALA A 25 -7.367 0.784 0.354 1.00 0.00 O ATOM 412 CB ALA A 25 -4.220 1.103 1.018 1.00 0.00 C ATOM 0 H ALA A 25 -4.050 -1.158 1.855 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.883 1.008 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.543 2.031 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.517 1.330 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.733 0.468 0.277 1.00 0.00 H new ATOM 418 N ILE A 26 -5.998 -0.820 -0.396 1.00 0.00 N ATOM 419 CA ILE A 26 -6.811 -1.142 -1.554 1.00 0.00 C ATOM 420 C ILE A 26 -8.088 -1.814 -1.087 1.00 0.00 C ATOM 421 O ILE A 26 -9.182 -1.583 -1.615 1.00 0.00 O ATOM 422 CB ILE A 26 -6.041 -2.074 -2.574 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.883 -2.309 -3.795 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.643 -3.415 -1.972 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.327 -3.338 -4.745 1.00 0.00 C ATOM 0 H ILE A 26 -5.156 -1.388 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.045 -0.217 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.122 -1.551 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.878 -2.623 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.000 -1.365 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.119 -4.009 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.988 -3.250 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.537 -3.948 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.997 -3.445 -5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.345 -3.019 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.237 -4.296 -4.232 1.00 0.00 H new ATOM 437 N PHE A 27 -7.926 -2.599 -0.074 1.00 0.00 N ATOM 438 CA PHE A 27 -8.956 -3.328 0.526 1.00 0.00 C ATOM 439 C PHE A 27 -8.927 -3.113 2.010 1.00 0.00 C ATOM 440 O PHE A 27 -8.192 -3.806 2.727 1.00 0.00 O ATOM 441 CB PHE A 27 -8.828 -4.814 0.164 1.00 0.00 C ATOM 442 CG PHE A 27 -9.631 -5.206 -1.040 1.00 0.00 C ATOM 443 CD1 PHE A 27 -9.293 -4.752 -2.299 1.00 0.00 C ATOM 444 CD2 PHE A 27 -10.729 -6.024 -0.910 1.00 0.00 C ATOM 445 CE1 PHE A 27 -10.031 -5.100 -3.405 1.00 0.00 C ATOM 446 CE2 PHE A 27 -11.469 -6.376 -2.013 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.120 -5.915 -3.261 1.00 0.00 C ATOM 0 H PHE A 27 -7.019 -2.746 0.369 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.920 -2.980 0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.779 -5.047 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.146 -5.416 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.432 -4.111 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -11.011 -6.392 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.753 -4.732 -4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -12.330 -7.018 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.704 -6.196 -4.125 1.00 0.00 H new ATOM 457 N PRO A 28 -9.621 -2.057 2.498 1.00 0.00 N ATOM 458 CA PRO A 28 -9.783 -1.842 3.911 1.00 0.00 C ATOM 459 C PRO A 28 -10.530 -3.019 4.492 1.00 0.00 C ATOM 460 O PRO A 28 -11.768 -3.122 4.394 1.00 0.00 O ATOM 461 CB PRO A 28 -10.589 -0.545 4.027 1.00 0.00 C ATOM 462 CG PRO A 28 -11.160 -0.325 2.675 1.00 0.00 C ATOM 463 CD PRO A 28 -10.236 -0.983 1.704 1.00 0.00 C ATOM 0 HA PRO A 28 -8.841 -1.757 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.375 -0.634 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.954 0.289 4.328 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.161 -0.750 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.250 0.740 2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.773 -1.377 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.489 -0.286 1.323 1.00 0.00 H new ATOM 471 N THR A 29 -9.759 -3.942 4.979 1.00 0.00 N ATOM 472 CA THR A 29 -10.234 -5.174 5.446 1.00 0.00 C ATOM 473 C THR A 29 -11.057 -5.014 6.730 1.00 0.00 C ATOM 474 O THR A 29 -10.718 -4.204 7.617 1.00 0.00 O ATOM 475 CB THR A 29 -9.058 -6.177 5.630 1.00 0.00 C ATOM 476 OG1 THR A 29 -9.564 -7.489 5.816 1.00 0.00 O ATOM 477 CG2 THR A 29 -8.161 -5.800 6.813 1.00 0.00 C ATOM 0 H THR A 29 -8.747 -3.838 5.058 1.00 0.00 H new ATOM 0 HA THR A 29 -10.908 -5.584 4.694 1.00 0.00 H new ATOM 0 HB THR A 29 -8.451 -6.137 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.229 -7.852 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.354 -6.527 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.739 -4.808 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.751 -5.796 7.730 1.00 0.00 H new ATOM 485 N PRO A 30 -12.189 -5.720 6.804 1.00 0.00 N ATOM 486 CA PRO A 30 -13.025 -5.732 7.991 1.00 0.00 C ATOM 487 C PRO A 30 -12.405 -6.614 9.078 1.00 0.00 C ATOM 488 O PRO A 30 -12.491 -6.321 10.275 1.00 0.00 O ATOM 489 CB PRO A 30 -14.336 -6.354 7.488 1.00 0.00 C ATOM 490 CG PRO A 30 -13.931 -7.220 6.342 1.00 0.00 C ATOM 491 CD PRO A 30 -12.770 -6.530 5.698 1.00 0.00 C ATOM 0 HA PRO A 30 -13.154 -4.744 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.824 -6.935 8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.043 -5.586 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.652 -8.216 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.752 -7.344 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.048 -7.244 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.088 -5.903 4.865 1.00 0.00 H new ATOM 499 N ASP A 31 -11.728 -7.648 8.638 1.00 0.00 N ATOM 500 CA ASP A 31 -11.170 -8.658 9.505 1.00 0.00 C ATOM 501 C ASP A 31 -9.803 -9.015 9.058 1.00 0.00 C ATOM 502 O ASP A 31 -9.542 -9.054 7.868 1.00 0.00 O ATOM 503 CB ASP A 31 -11.994 -9.935 9.436 1.00 0.00 C ATOM 504 CG ASP A 31 -13.256 -9.895 10.220 1.00 0.00 C ATOM 505 OD1 ASP A 31 -14.308 -9.522 9.665 1.00 0.00 O ATOM 506 OD2 ASP A 31 -13.239 -10.300 11.383 1.00 0.00 O ATOM 0 H ASP A 31 -11.546 -7.814 7.648 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.164 -8.252 10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.235 -10.142 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.385 -10.766 9.793 1.00 0.00 H new ATOM 511 N PRO A 32 -8.905 -9.341 9.972 1.00 0.00 N ATOM 512 CA PRO A 32 -7.575 -9.796 9.605 1.00 0.00 C ATOM 513 C PRO A 32 -7.619 -11.180 8.935 1.00 0.00 C ATOM 514 O PRO A 32 -6.645 -11.630 8.348 1.00 0.00 O ATOM 515 CB PRO A 32 -6.815 -9.844 10.928 1.00 0.00 C ATOM 516 CG PRO A 32 -7.870 -9.964 11.974 1.00 0.00 C ATOM 517 CD PRO A 32 -9.081 -9.260 11.439 1.00 0.00 C ATOM 0 HA PRO A 32 -7.100 -9.138 8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.130 -10.691 10.959 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.216 -8.945 11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.091 -11.011 12.184 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.541 -9.513 12.910 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.003 -9.745 11.760 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.129 -8.226 11.781 1.00 0.00 H new ATOM 525 N ALA A 33 -8.768 -11.837 9.003 1.00 0.00 N ATOM 526 CA ALA A 33 -8.929 -13.128 8.375 1.00 0.00 C ATOM 527 C ALA A 33 -9.378 -13.002 6.911 1.00 0.00 C ATOM 528 O ALA A 33 -9.379 -13.975 6.170 1.00 0.00 O ATOM 529 CB ALA A 33 -9.851 -14.030 9.169 1.00 0.00 C ATOM 0 H ALA A 33 -9.597 -11.493 9.487 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.947 -13.601 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.945 -14.991 8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.439 -14.184 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.833 -13.565 9.250 1.00 0.00 H new ATOM 535 N ALA A 34 -9.735 -11.798 6.480 1.00 0.00 N ATOM 536 CA ALA A 34 -10.053 -11.580 5.064 1.00 0.00 C ATOM 537 C ALA A 34 -8.736 -11.501 4.296 1.00 0.00 C ATOM 538 O ALA A 34 -8.673 -11.662 3.086 1.00 0.00 O ATOM 539 CB ALA A 34 -10.869 -10.306 4.887 1.00 0.00 C ATOM 0 H ALA A 34 -9.812 -10.971 7.072 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.657 -12.402 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.095 -10.162 3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.799 -10.389 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.298 -9.454 5.255 1.00 0.00 H new ATOM 545 N LEU A 35 -7.672 -11.360 5.069 1.00 0.00 N ATOM 546 CA LEU A 35 -6.320 -11.239 4.573 1.00 0.00 C ATOM 547 C LEU A 35 -5.713 -12.625 4.315 1.00 0.00 C ATOM 548 O LEU A 35 -4.527 -12.744 4.062 1.00 0.00 O ATOM 549 CB LEU A 35 -5.475 -10.499 5.607 1.00 0.00 C ATOM 550 CG LEU A 35 -6.010 -9.146 6.062 1.00 0.00 C ATOM 551 CD1 LEU A 35 -5.227 -8.654 7.253 1.00 0.00 C ATOM 552 CD2 LEU A 35 -5.934 -8.136 4.940 1.00 0.00 C ATOM 0 H LEU A 35 -7.732 -11.326 6.087 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.335 -10.686 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.367 -11.138 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.477 -10.353 5.194 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.055 -9.267 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.617 -7.687 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.320 -9.369 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.177 -8.550 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.321 -7.178 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.897 -8.017 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.530 -8.484 4.096 1.00 0.00 H new ATOM 564 N LYS A 36 -6.518 -13.662 4.429 1.00 0.00 N ATOM 565 CA LYS A 36 -6.070 -15.022 4.123 1.00 0.00 C ATOM 566 C LYS A 36 -7.089 -15.705 3.223 1.00 0.00 C ATOM 567 O LYS A 36 -7.066 -16.915 3.024 1.00 0.00 O ATOM 568 CB LYS A 36 -5.847 -15.838 5.407 1.00 0.00 C ATOM 569 CG LYS A 36 -7.077 -15.941 6.289 1.00 0.00 C ATOM 570 CD LYS A 36 -6.883 -16.791 7.553 1.00 0.00 C ATOM 571 CE LYS A 36 -5.926 -16.183 8.594 1.00 0.00 C ATOM 572 NZ LYS A 36 -4.497 -16.200 8.186 1.00 0.00 N ATOM 0 H LYS A 36 -7.490 -13.597 4.732 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.114 -14.964 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.521 -16.842 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.038 -15.384 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.382 -14.937 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.894 -16.363 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.855 -16.949 8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.506 -17.771 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.225 -15.153 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.032 -16.729 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.912 -16.524 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.374 -16.846 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.204 -15.242 7.909 1.00 0.00 H new ATOM 586 N ASP A 37 -7.972 -14.904 2.674 1.00 0.00 N ATOM 587 CA ASP A 37 -9.022 -15.376 1.773 1.00 0.00 C ATOM 588 C ASP A 37 -8.449 -15.554 0.372 1.00 0.00 C ATOM 589 O ASP A 37 -7.323 -15.152 0.114 1.00 0.00 O ATOM 590 CB ASP A 37 -10.166 -14.359 1.779 1.00 0.00 C ATOM 591 CG ASP A 37 -11.234 -14.604 0.763 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.026 -15.533 0.919 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.272 -13.867 -0.230 1.00 0.00 O ATOM 0 H ASP A 37 -7.990 -13.897 2.835 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.406 -16.341 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.622 -14.353 2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.750 -13.365 1.614 1.00 0.00 H new ATOM 598 N ARG A 38 -9.202 -16.141 -0.525 1.00 0.00 N ATOM 599 CA ARG A 38 -8.742 -16.373 -1.879 1.00 0.00 C ATOM 600 C ARG A 38 -8.489 -15.052 -2.615 1.00 0.00 C ATOM 601 O ARG A 38 -7.605 -14.961 -3.447 1.00 0.00 O ATOM 602 CB ARG A 38 -9.723 -17.283 -2.632 1.00 0.00 C ATOM 603 CG ARG A 38 -10.876 -16.614 -3.407 1.00 0.00 C ATOM 604 CD ARG A 38 -11.891 -15.942 -2.500 1.00 0.00 C ATOM 605 NE ARG A 38 -13.003 -15.344 -3.247 1.00 0.00 N ATOM 606 CZ ARG A 38 -13.810 -14.376 -2.772 1.00 0.00 C ATOM 607 NH1 ARG A 38 -13.505 -13.736 -1.647 1.00 0.00 N ATOM 608 NH2 ARG A 38 -14.893 -14.019 -3.453 1.00 0.00 N ATOM 0 H ARG A 38 -10.149 -16.472 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.785 -16.892 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.149 -17.882 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.161 -17.973 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.464 -15.874 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.381 -17.365 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.284 -16.674 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.394 -15.169 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.177 -15.685 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.655 -13.977 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.121 -13.004 -1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.114 -14.478 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.504 -13.286 -3.092 1.00 0.00 H new ATOM 622 N ARG A 39 -9.223 -14.006 -2.227 1.00 0.00 N ATOM 623 CA ARG A 39 -9.063 -12.700 -2.831 1.00 0.00 C ATOM 624 C ARG A 39 -7.717 -12.087 -2.412 1.00 0.00 C ATOM 625 O ARG A 39 -7.154 -11.226 -3.100 1.00 0.00 O ATOM 626 CB ARG A 39 -10.258 -11.808 -2.457 1.00 0.00 C ATOM 627 CG ARG A 39 -10.181 -10.388 -2.979 1.00 0.00 C ATOM 628 CD ARG A 39 -11.517 -9.680 -2.865 1.00 0.00 C ATOM 629 NE ARG A 39 -12.478 -10.158 -3.873 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.427 -9.394 -4.437 1.00 0.00 C ATOM 631 NH1 ARG A 39 -13.762 -8.235 -3.887 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.083 -9.828 -5.509 1.00 0.00 N ATOM 0 H ARG A 39 -9.932 -14.048 -1.495 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.049 -12.790 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.170 -12.270 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.343 -11.776 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.426 -9.835 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.862 -10.399 -4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.928 -9.838 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.370 -8.606 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.419 -11.134 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.298 -7.922 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.483 -7.656 -4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.866 -10.743 -5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.804 -9.246 -5.936 1.00 0.00 H new ATOM 646 N MET A 40 -7.177 -12.602 -1.322 1.00 0.00 N ATOM 647 CA MET A 40 -5.902 -12.160 -0.801 1.00 0.00 C ATOM 648 C MET A 40 -4.768 -12.440 -1.746 1.00 0.00 C ATOM 649 O MET A 40 -3.961 -11.565 -1.961 1.00 0.00 O ATOM 650 CB MET A 40 -5.627 -12.731 0.601 1.00 0.00 C ATOM 651 CG MET A 40 -4.156 -12.716 1.085 1.00 0.00 C ATOM 652 SD MET A 40 -3.314 -11.119 0.941 1.00 0.00 S ATOM 653 CE MET A 40 -4.528 -10.015 1.604 1.00 0.00 C ATOM 0 H MET A 40 -7.615 -13.342 -0.773 1.00 0.00 H new ATOM 0 HA MET A 40 -5.967 -11.076 -0.703 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.227 -12.172 1.319 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.982 -13.761 0.624 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.130 -13.030 2.129 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.595 -13.457 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.587 -9.122 0.981 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.499 -10.510 1.621 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.247 -9.732 2.618 1.00 0.00 H new ATOM 663 N GLU A 41 -4.733 -13.625 -2.364 1.00 0.00 N ATOM 664 CA GLU A 41 -3.608 -13.941 -3.246 1.00 0.00 C ATOM 665 C GLU A 41 -3.548 -12.940 -4.383 1.00 0.00 C ATOM 666 O GLU A 41 -2.495 -12.550 -4.798 1.00 0.00 O ATOM 667 CB GLU A 41 -3.655 -15.364 -3.804 1.00 0.00 C ATOM 668 CG GLU A 41 -4.752 -15.614 -4.809 1.00 0.00 C ATOM 669 CD GLU A 41 -4.697 -16.996 -5.371 1.00 0.00 C ATOM 670 OE1 GLU A 41 -5.021 -17.960 -4.657 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.302 -17.150 -6.544 1.00 0.00 O ATOM 0 H GLU A 41 -5.441 -14.354 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.706 -13.876 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.696 -15.588 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.776 -16.061 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.720 -15.455 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.671 -14.890 -5.620 1.00 0.00 H new ATOM 678 N ASN A 42 -4.712 -12.490 -4.810 1.00 0.00 N ATOM 679 CA ASN A 42 -4.840 -11.516 -5.869 1.00 0.00 C ATOM 680 C ASN A 42 -4.322 -10.159 -5.415 1.00 0.00 C ATOM 681 O ASN A 42 -3.520 -9.525 -6.098 1.00 0.00 O ATOM 682 CB ASN A 42 -6.309 -11.416 -6.297 1.00 0.00 C ATOM 683 CG ASN A 42 -6.570 -10.290 -7.272 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.401 -10.453 -8.479 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.036 -9.163 -6.764 1.00 0.00 N ATOM 0 H ASN A 42 -5.605 -12.797 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.241 -11.836 -6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.613 -12.359 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.930 -11.273 -5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.271 -8.385 -7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.161 -9.071 -5.756 1.00 0.00 H new ATOM 692 N LEU A 43 -4.761 -9.747 -4.246 1.00 0.00 N ATOM 693 CA LEU A 43 -4.396 -8.459 -3.682 1.00 0.00 C ATOM 694 C LEU A 43 -2.934 -8.394 -3.320 1.00 0.00 C ATOM 695 O LEU A 43 -2.274 -7.399 -3.590 1.00 0.00 O ATOM 696 CB LEU A 43 -5.246 -8.179 -2.470 1.00 0.00 C ATOM 697 CG LEU A 43 -6.733 -8.136 -2.725 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.484 -7.985 -1.418 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.061 -7.003 -3.677 1.00 0.00 C ATOM 0 H LEU A 43 -5.384 -10.296 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.575 -7.698 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.044 -8.943 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.939 -7.224 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.045 -9.073 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.556 -7.955 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.258 -8.831 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.180 -7.060 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.136 -6.978 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.744 -6.056 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.539 -7.159 -4.621 1.00 0.00 H new ATOM 711 N VAL A 44 -2.419 -9.453 -2.738 1.00 0.00 N ATOM 712 CA VAL A 44 -1.040 -9.477 -2.350 1.00 0.00 C ATOM 713 C VAL A 44 -0.162 -9.610 -3.592 1.00 0.00 C ATOM 714 O VAL A 44 0.906 -9.040 -3.643 1.00 0.00 O ATOM 715 CB VAL A 44 -0.720 -10.576 -1.282 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.711 -11.987 -1.845 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.556 -10.260 -0.515 1.00 0.00 C ATOM 0 H VAL A 44 -2.939 -10.305 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.816 -8.531 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.547 -10.551 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.482 -12.695 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.690 -12.217 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.046 -12.062 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.745 -11.045 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.394 -10.203 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.445 -9.305 -0.002 1.00 0.00 H new ATOM 727 N ALA A 45 -0.654 -10.334 -4.607 1.00 0.00 N ATOM 728 CA ALA A 45 0.046 -10.452 -5.891 1.00 0.00 C ATOM 729 C ALA A 45 0.155 -9.067 -6.519 1.00 0.00 C ATOM 730 O ALA A 45 1.239 -8.639 -6.915 1.00 0.00 O ATOM 731 CB ALA A 45 -0.683 -11.419 -6.833 1.00 0.00 C ATOM 0 H ALA A 45 -1.535 -10.847 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 45 1.043 -10.858 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.141 -11.486 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.734 -12.406 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.693 -11.053 -7.020 1.00 0.00 H new ATOM 737 N TYR A 46 -0.983 -8.363 -6.552 1.00 0.00 N ATOM 738 CA TYR A 46 -1.076 -6.970 -7.005 1.00 0.00 C ATOM 739 C TYR A 46 -0.136 -6.088 -6.207 1.00 0.00 C ATOM 740 O TYR A 46 0.547 -5.239 -6.764 1.00 0.00 O ATOM 741 CB TYR A 46 -2.548 -6.473 -6.887 1.00 0.00 C ATOM 742 CG TYR A 46 -2.733 -4.958 -6.741 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.653 -4.376 -5.492 1.00 0.00 C ATOM 744 CD2 TYR A 46 -2.983 -4.132 -7.820 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.810 -3.031 -5.301 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.147 -2.768 -7.635 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.059 -2.230 -6.373 1.00 0.00 C ATOM 748 OH TYR A 46 -3.212 -0.878 -6.187 1.00 0.00 O ATOM 0 H TYR A 46 -1.880 -8.752 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.776 -6.914 -8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.094 -6.803 -7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.008 -6.960 -6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.460 -5.005 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.051 -4.551 -8.813 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.737 -2.609 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.344 -2.128 -8.482 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.621 -0.482 -6.985 1.00 0.00 H new ATOM 758 N ALA A 47 -0.091 -6.289 -4.932 1.00 0.00 N ATOM 759 CA ALA A 47 0.745 -5.489 -4.104 1.00 0.00 C ATOM 760 C ALA A 47 2.219 -5.787 -4.365 1.00 0.00 C ATOM 761 O ALA A 47 3.016 -4.885 -4.424 1.00 0.00 O ATOM 762 CB ALA A 47 0.358 -5.637 -2.653 1.00 0.00 C ATOM 0 H ALA A 47 -0.626 -7.004 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 47 0.596 -4.440 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.010 -5.017 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.677 -5.321 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.461 -6.680 -2.354 1.00 0.00 H new ATOM 768 N LYS A 48 2.550 -7.052 -4.588 1.00 0.00 N ATOM 769 CA LYS A 48 3.923 -7.458 -4.910 1.00 0.00 C ATOM 770 C LYS A 48 4.381 -6.867 -6.250 1.00 0.00 C ATOM 771 O LYS A 48 5.546 -6.455 -6.397 1.00 0.00 O ATOM 772 CB LYS A 48 4.047 -8.981 -4.938 1.00 0.00 C ATOM 773 CG LYS A 48 3.879 -9.652 -3.585 1.00 0.00 C ATOM 774 CD LYS A 48 3.810 -11.163 -3.733 1.00 0.00 C ATOM 775 CE LYS A 48 3.660 -11.870 -2.389 1.00 0.00 C ATOM 776 NZ LYS A 48 4.790 -11.596 -1.463 1.00 0.00 N ATOM 0 H LYS A 48 1.885 -7.824 -4.553 1.00 0.00 H new ATOM 0 HA LYS A 48 4.572 -7.067 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.300 -9.381 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.024 -9.246 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.713 -9.384 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.971 -9.288 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.969 -11.425 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.713 -11.519 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.728 -11.555 -1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.586 -12.945 -2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.734 -12.239 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.691 -11.745 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.737 -10.612 -1.132 1.00 0.00 H new ATOM 790 N LYS A 49 3.485 -6.836 -7.230 1.00 0.00 N ATOM 791 CA LYS A 49 3.798 -6.217 -8.515 1.00 0.00 C ATOM 792 C LYS A 49 3.956 -4.704 -8.383 1.00 0.00 C ATOM 793 O LYS A 49 4.917 -4.123 -8.916 1.00 0.00 O ATOM 794 CB LYS A 49 2.786 -6.585 -9.631 1.00 0.00 C ATOM 795 CG LYS A 49 1.352 -6.643 -9.217 1.00 0.00 C ATOM 796 CD LYS A 49 0.423 -6.610 -10.404 1.00 0.00 C ATOM 797 CE LYS A 49 0.110 -5.178 -10.778 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.521 -5.086 -12.113 1.00 0.00 N ATOM 0 H LYS A 49 2.545 -7.227 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 49 4.757 -6.631 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.882 -5.857 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.065 -7.555 -10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.176 -7.553 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.130 -5.803 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.882 -7.123 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.499 -7.143 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.554 -4.744 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.028 -4.590 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.063 -4.201 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.216 -5.098 -12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.161 -5.894 -12.251 1.00 0.00 H new ATOM 812 N VAL A 50 3.044 -4.083 -7.645 1.00 0.00 N ATOM 813 CA VAL A 50 3.074 -2.643 -7.400 1.00 0.00 C ATOM 814 C VAL A 50 4.347 -2.251 -6.641 1.00 0.00 C ATOM 815 O VAL A 50 5.096 -1.381 -7.088 1.00 0.00 O ATOM 816 CB VAL A 50 1.783 -2.180 -6.639 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.902 -0.759 -6.123 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.581 -2.271 -7.563 1.00 0.00 C ATOM 0 H VAL A 50 2.262 -4.562 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 50 3.090 -2.129 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 50 1.658 -2.842 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.985 -0.483 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.744 -0.691 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.063 -0.080 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.313 -1.948 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.739 -1.628 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.454 -3.302 -7.894 1.00 0.00 H new ATOM 828 N GLU A 51 4.605 -2.959 -5.553 1.00 0.00 N ATOM 829 CA GLU A 51 5.771 -2.754 -4.690 1.00 0.00 C ATOM 830 C GLU A 51 7.036 -2.872 -5.521 1.00 0.00 C ATOM 831 O GLU A 51 7.872 -1.970 -5.527 1.00 0.00 O ATOM 832 CB GLU A 51 5.716 -3.802 -3.545 1.00 0.00 C ATOM 833 CG GLU A 51 6.798 -3.753 -2.457 1.00 0.00 C ATOM 834 CD GLU A 51 8.149 -4.315 -2.881 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.181 -5.373 -3.544 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.189 -3.743 -2.540 1.00 0.00 O ATOM 0 H GLU A 51 3.997 -3.713 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 51 5.769 -1.759 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.747 -3.707 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.747 -4.792 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.932 -2.718 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.445 -4.307 -1.587 1.00 0.00 H new ATOM 843 N GLY A 52 7.117 -3.953 -6.287 1.00 0.00 N ATOM 844 CA GLY A 52 8.259 -4.206 -7.134 1.00 0.00 C ATOM 845 C GLY A 52 8.477 -3.128 -8.178 1.00 0.00 C ATOM 846 O GLY A 52 9.623 -2.837 -8.549 1.00 0.00 O ATOM 0 H GLY A 52 6.394 -4.671 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.152 -4.289 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.128 -5.166 -7.634 1.00 0.00 H new ATOM 850 N ASP A 53 7.397 -2.533 -8.656 1.00 0.00 N ATOM 851 CA ASP A 53 7.505 -1.488 -9.665 1.00 0.00 C ATOM 852 C ASP A 53 8.105 -0.234 -9.074 1.00 0.00 C ATOM 853 O ASP A 53 9.061 0.314 -9.602 1.00 0.00 O ATOM 854 CB ASP A 53 6.167 -1.171 -10.303 1.00 0.00 C ATOM 855 CG ASP A 53 6.327 -0.151 -11.416 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.989 -0.470 -12.449 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.850 0.990 -11.263 1.00 0.00 O ATOM 0 H ASP A 53 6.444 -2.751 -8.367 1.00 0.00 H new ATOM 0 HA ASP A 53 8.164 -1.867 -10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.724 -2.084 -10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.481 -0.787 -9.548 1.00 0.00 H new ATOM 862 N MET A 54 7.573 0.191 -7.952 1.00 0.00 N ATOM 863 CA MET A 54 8.106 1.370 -7.258 1.00 0.00 C ATOM 864 C MET A 54 9.507 1.147 -6.734 1.00 0.00 C ATOM 865 O MET A 54 10.320 2.070 -6.690 1.00 0.00 O ATOM 866 CB MET A 54 7.142 1.946 -6.206 1.00 0.00 C ATOM 867 CG MET A 54 6.333 0.953 -5.422 1.00 0.00 C ATOM 868 SD MET A 54 4.603 1.490 -5.284 1.00 0.00 S ATOM 869 CE MET A 54 4.150 1.709 -7.013 1.00 0.00 C ATOM 0 H MET A 54 6.776 -0.250 -7.492 1.00 0.00 H new ATOM 0 HA MET A 54 8.192 2.151 -8.014 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.722 2.544 -5.503 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.454 2.625 -6.710 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.378 -0.022 -5.907 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.761 0.834 -4.427 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.065 1.757 -7.102 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.586 2.635 -7.389 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.525 0.868 -7.597 1.00 0.00 H new ATOM 879 N TYR A 55 9.792 -0.082 -6.401 1.00 0.00 N ATOM 880 CA TYR A 55 11.113 -0.530 -6.000 1.00 0.00 C ATOM 881 C TYR A 55 12.075 -0.297 -7.195 1.00 0.00 C ATOM 882 O TYR A 55 13.166 0.221 -7.046 1.00 0.00 O ATOM 883 CB TYR A 55 10.968 -2.022 -5.672 1.00 0.00 C ATOM 884 CG TYR A 55 12.147 -2.770 -5.111 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.517 -2.638 -3.780 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.829 -3.690 -5.891 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.533 -3.402 -3.247 1.00 0.00 C ATOM 888 CE2 TYR A 55 13.858 -4.445 -5.372 1.00 0.00 C ATOM 889 CZ TYR A 55 14.203 -4.302 -4.046 1.00 0.00 C ATOM 890 OH TYR A 55 15.191 -5.100 -3.505 1.00 0.00 O ATOM 0 H TYR A 55 9.096 -0.828 -6.399 1.00 0.00 H new ATOM 0 HA TYR A 55 11.512 0.002 -5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.148 -2.123 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.662 -2.530 -6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 55 12.001 -1.926 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.548 -3.818 -6.926 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.803 -3.295 -2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.390 -5.144 -6.000 1.00 0.00 H new ATOM 0 HH TYR A 55 15.617 -5.621 -4.217 1.00 0.00 H new ATOM 900 N GLU A 56 11.610 -0.614 -8.388 1.00 0.00 N ATOM 901 CA GLU A 56 12.388 -0.401 -9.607 1.00 0.00 C ATOM 902 C GLU A 56 12.321 1.033 -10.146 1.00 0.00 C ATOM 903 O GLU A 56 13.134 1.430 -10.987 1.00 0.00 O ATOM 904 CB GLU A 56 12.026 -1.424 -10.683 1.00 0.00 C ATOM 905 CG GLU A 56 12.809 -2.716 -10.555 1.00 0.00 C ATOM 906 CD GLU A 56 14.269 -2.520 -10.927 1.00 0.00 C ATOM 907 OE1 GLU A 56 14.879 -1.503 -10.518 1.00 0.00 O ATOM 908 OE2 GLU A 56 14.814 -3.336 -11.703 1.00 0.00 O ATOM 0 H GLU A 56 10.690 -1.024 -8.546 1.00 0.00 H new ATOM 0 HA GLU A 56 13.429 -0.555 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.960 -1.644 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.209 -0.990 -11.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.739 -3.085 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.367 -3.476 -11.199 1.00 0.00 H new ATOM 915 N SER A 57 11.409 1.789 -9.643 1.00 0.00 N ATOM 916 CA SER A 57 11.207 3.159 -10.064 1.00 0.00 C ATOM 917 C SER A 57 12.099 4.108 -9.255 1.00 0.00 C ATOM 918 O SER A 57 12.491 5.188 -9.735 1.00 0.00 O ATOM 919 CB SER A 57 9.718 3.534 -9.885 1.00 0.00 C ATOM 920 OG SER A 57 9.427 4.842 -10.356 1.00 0.00 O ATOM 0 H SER A 57 10.764 1.482 -8.915 1.00 0.00 H new ATOM 0 HA SER A 57 11.479 3.255 -11.115 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.098 2.813 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.453 3.464 -8.830 1.00 0.00 H new ATOM 0 HG SER A 57 8.475 5.033 -10.223 1.00 0.00 H new ATOM 926 N ALA A 58 12.433 3.708 -8.050 1.00 0.00 N ATOM 927 CA ALA A 58 13.204 4.546 -7.164 1.00 0.00 C ATOM 928 C ALA A 58 14.681 4.244 -7.218 1.00 0.00 C ATOM 929 O ALA A 58 15.107 3.196 -7.742 1.00 0.00 O ATOM 930 CB ALA A 58 12.719 4.385 -5.769 1.00 0.00 C ATOM 0 H ALA A 58 12.180 2.800 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 58 13.067 5.574 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.305 5.020 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.669 4.673 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.827 3.344 -5.464 1.00 0.00 H new ATOM 936 N ASN A 59 15.460 5.156 -6.663 1.00 0.00 N ATOM 937 CA ASN A 59 16.907 5.014 -6.619 1.00 0.00 C ATOM 938 C ASN A 59 17.372 4.919 -5.165 1.00 0.00 C ATOM 939 O ASN A 59 18.566 4.923 -4.872 1.00 0.00 O ATOM 940 CB ASN A 59 17.588 6.182 -7.366 1.00 0.00 C ATOM 941 CG ASN A 59 17.870 7.427 -6.524 1.00 0.00 C ATOM 942 OD1 ASN A 59 18.980 7.607 -5.991 1.00 0.00 O ATOM 943 ND2 ASN A 59 16.893 8.264 -6.365 1.00 0.00 N ATOM 0 H ASN A 59 15.111 6.012 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 59 17.197 4.094 -7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.530 5.825 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.957 6.469 -8.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.023 9.097 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.994 8.090 -6.815 1.00 0.00 H new ATOM 950 N SER A 60 16.420 4.805 -4.274 1.00 0.00 N ATOM 951 CA SER A 60 16.668 4.573 -2.876 1.00 0.00 C ATOM 952 C SER A 60 15.424 3.985 -2.288 1.00 0.00 C ATOM 953 O SER A 60 14.330 4.160 -2.848 1.00 0.00 O ATOM 954 CB SER A 60 17.060 5.853 -2.142 1.00 0.00 C ATOM 955 OG SER A 60 16.077 6.855 -2.291 1.00 0.00 O ATOM 0 H SER A 60 15.429 4.873 -4.507 1.00 0.00 H new ATOM 0 HA SER A 60 17.510 3.889 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.204 5.637 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.013 6.217 -2.526 1.00 0.00 H new ATOM 0 HG SER A 60 16.356 7.661 -1.809 1.00 0.00 H new ATOM 961 N ARG A 61 15.552 3.274 -1.188 1.00 0.00 N ATOM 962 CA ARG A 61 14.374 2.663 -0.606 1.00 0.00 C ATOM 963 C ARG A 61 13.492 3.699 0.026 1.00 0.00 C ATOM 964 O ARG A 61 12.304 3.583 -0.016 1.00 0.00 O ATOM 965 CB ARG A 61 14.661 1.499 0.370 1.00 0.00 C ATOM 966 CG ARG A 61 15.237 1.861 1.731 1.00 0.00 C ATOM 967 CD ARG A 61 16.588 2.468 1.626 1.00 0.00 C ATOM 968 NE ARG A 61 17.198 2.668 2.951 1.00 0.00 N ATOM 969 CZ ARG A 61 17.895 3.754 3.337 1.00 0.00 C ATOM 970 NH1 ARG A 61 18.216 4.694 2.456 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.298 3.866 4.595 1.00 0.00 N ATOM 0 H ARG A 61 16.427 3.107 -0.692 1.00 0.00 H new ATOM 0 HA ARG A 61 13.847 2.202 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.730 0.955 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.352 0.811 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.566 2.557 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.290 0.966 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.230 1.826 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.518 3.425 1.109 1.00 0.00 H new ATOM 0 HE ARG A 61 17.083 1.920 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.935 4.596 1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.744 5.514 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.080 3.131 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.826 4.687 4.890 1.00 0.00 H new ATOM 985 N ASP A 62 14.092 4.741 0.564 1.00 0.00 N ATOM 986 CA ASP A 62 13.335 5.821 1.180 1.00 0.00 C ATOM 987 C ASP A 62 12.493 6.536 0.123 1.00 0.00 C ATOM 988 O ASP A 62 11.347 6.898 0.370 1.00 0.00 O ATOM 989 CB ASP A 62 14.270 6.793 1.894 1.00 0.00 C ATOM 990 CG ASP A 62 13.536 7.962 2.515 1.00 0.00 C ATOM 991 OD1 ASP A 62 12.896 7.792 3.582 1.00 0.00 O ATOM 992 OD2 ASP A 62 13.606 9.067 1.950 1.00 0.00 O ATOM 0 H ASP A 62 15.104 4.867 0.589 1.00 0.00 H new ATOM 0 HA ASP A 62 12.662 5.402 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.818 6.259 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.008 7.168 1.185 1.00 0.00 H new ATOM 997 N GLU A 63 13.055 6.685 -1.076 1.00 0.00 N ATOM 998 CA GLU A 63 12.328 7.249 -2.207 1.00 0.00 C ATOM 999 C GLU A 63 11.171 6.345 -2.615 1.00 0.00 C ATOM 1000 O GLU A 63 10.032 6.805 -2.766 1.00 0.00 O ATOM 1001 CB GLU A 63 13.278 7.497 -3.386 1.00 0.00 C ATOM 1002 CG GLU A 63 12.596 7.827 -4.705 1.00 0.00 C ATOM 1003 CD GLU A 63 13.546 8.348 -5.726 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.220 7.544 -6.387 1.00 0.00 O ATOM 1005 OE2 GLU A 63 13.638 9.584 -5.887 1.00 0.00 O ATOM 0 H GLU A 63 14.017 6.421 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 63 11.908 8.207 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.948 8.316 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.897 6.611 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.108 6.932 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.814 8.566 -4.531 1.00 0.00 H new ATOM 1012 N TYR A 64 11.459 5.052 -2.738 1.00 0.00 N ATOM 1013 CA TYR A 64 10.470 4.076 -3.144 1.00 0.00 C ATOM 1014 C TYR A 64 9.362 3.997 -2.110 1.00 0.00 C ATOM 1015 O TYR A 64 8.189 3.973 -2.447 1.00 0.00 O ATOM 1016 CB TYR A 64 11.171 2.707 -3.420 1.00 0.00 C ATOM 1017 CG TYR A 64 10.654 1.499 -2.689 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.601 0.761 -3.190 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.231 1.098 -1.497 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.134 -0.340 -2.529 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.768 -0.005 -0.826 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.716 -0.720 -1.351 1.00 0.00 C ATOM 1023 OH TYR A 64 9.254 -1.819 -0.704 1.00 0.00 O ATOM 0 H TYR A 64 12.383 4.659 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 64 9.993 4.378 -4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.105 2.506 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.229 2.817 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.139 1.058 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.057 1.661 -1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.309 -0.907 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.224 -0.309 0.104 1.00 0.00 H new ATOM 0 HH TYR A 64 9.398 -2.612 -1.262 1.00 0.00 H new ATOM 1033 N TYR A 65 9.767 4.039 -0.865 1.00 0.00 N ATOM 1034 CA TYR A 65 8.894 3.985 0.264 1.00 0.00 C ATOM 1035 C TYR A 65 7.983 5.208 0.283 1.00 0.00 C ATOM 1036 O TYR A 65 6.797 5.075 0.513 1.00 0.00 O ATOM 1037 CB TYR A 65 9.750 3.914 1.505 1.00 0.00 C ATOM 1038 CG TYR A 65 9.055 3.676 2.789 1.00 0.00 C ATOM 1039 CD1 TYR A 65 7.948 2.895 2.863 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.561 4.186 3.943 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.364 2.641 4.056 1.00 0.00 C ATOM 1042 CE2 TYR A 65 9.006 3.919 5.138 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.908 3.154 5.202 1.00 0.00 C ATOM 1044 OH TYR A 65 7.377 2.860 6.422 1.00 0.00 O ATOM 0 H TYR A 65 10.751 4.115 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 65 8.250 3.107 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.484 3.120 1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.304 4.849 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.530 2.473 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.432 4.823 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.471 2.035 4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.443 4.319 6.041 1.00 0.00 H new ATOM 0 HH TYR A 65 6.983 1.963 6.400 1.00 0.00 H new ATOM 1054 N HIS A 66 8.545 6.398 0.003 1.00 0.00 N ATOM 1055 CA HIS A 66 7.727 7.630 -0.078 1.00 0.00 C ATOM 1056 C HIS A 66 6.726 7.538 -1.184 1.00 0.00 C ATOM 1057 O HIS A 66 5.552 7.644 -0.949 1.00 0.00 O ATOM 1058 CB HIS A 66 8.538 8.911 -0.330 1.00 0.00 C ATOM 1059 CG HIS A 66 9.174 9.562 0.858 1.00 0.00 C ATOM 1060 ND1 HIS A 66 10.453 9.336 1.276 1.00 0.00 N ATOM 1061 CD2 HIS A 66 8.685 10.527 1.673 1.00 0.00 C ATOM 1062 CE1 HIS A 66 10.708 10.146 2.297 1.00 0.00 C ATOM 1063 NE2 HIS A 66 9.664 10.898 2.586 1.00 0.00 N ATOM 0 H HIS A 66 9.541 6.536 -0.168 1.00 0.00 H new ATOM 0 HA HIS A 66 7.254 7.699 0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.324 8.678 -1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.880 9.640 -0.803 1.00 0.00 H new ATOM 0 HD1 HIS A 66 11.102 8.660 0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.690 10.943 1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 66 11.650 10.184 2.823 1.00 0.00 H new ATOM 1071 N LEU A 67 7.203 7.313 -2.389 1.00 0.00 N ATOM 1072 CA LEU A 67 6.356 7.338 -3.565 1.00 0.00 C ATOM 1073 C LEU A 67 5.295 6.224 -3.534 1.00 0.00 C ATOM 1074 O LEU A 67 4.191 6.391 -4.080 1.00 0.00 O ATOM 1075 CB LEU A 67 7.200 7.378 -4.876 1.00 0.00 C ATOM 1076 CG LEU A 67 7.914 6.095 -5.327 1.00 0.00 C ATOM 1077 CD1 LEU A 67 6.994 5.240 -6.155 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.178 6.400 -6.102 1.00 0.00 C ATOM 0 H LEU A 67 8.183 7.108 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 67 5.789 8.269 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.541 7.693 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.956 8.155 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 67 8.196 5.547 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.518 4.336 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.120 4.968 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.677 5.796 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.654 5.467 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.929 6.983 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.862 6.970 -5.473 1.00 0.00 H new ATOM 1090 N LEU A 68 5.616 5.093 -2.894 1.00 0.00 N ATOM 1091 CA LEU A 68 4.636 4.040 -2.742 1.00 0.00 C ATOM 1092 C LEU A 68 3.616 4.502 -1.719 1.00 0.00 C ATOM 1093 O LEU A 68 2.413 4.399 -1.956 1.00 0.00 O ATOM 1094 CB LEU A 68 5.289 2.665 -2.373 1.00 0.00 C ATOM 1095 CG LEU A 68 5.589 2.320 -0.913 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.346 1.780 -0.214 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.685 1.309 -0.851 1.00 0.00 C ATOM 0 H LEU A 68 6.530 4.896 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 68 4.137 3.857 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.636 1.883 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.229 2.597 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 68 5.901 3.230 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.586 1.542 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.558 2.532 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.005 0.879 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.897 1.065 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.378 0.407 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.582 1.716 -1.318 1.00 0.00 H new ATOM 1109 N ALA A 69 4.120 5.050 -0.578 1.00 0.00 N ATOM 1110 CA ALA A 69 3.290 5.639 0.461 1.00 0.00 C ATOM 1111 C ALA A 69 2.363 6.702 -0.123 1.00 0.00 C ATOM 1112 O ALA A 69 1.252 6.861 0.321 1.00 0.00 O ATOM 1113 CB ALA A 69 4.160 6.232 1.575 1.00 0.00 C ATOM 0 H ALA A 69 5.118 5.086 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 69 2.673 4.850 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.521 6.668 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.772 5.445 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.806 7.005 1.159 1.00 0.00 H new ATOM 1119 N GLU A 70 2.828 7.411 -1.121 1.00 0.00 N ATOM 1120 CA GLU A 70 2.027 8.421 -1.773 1.00 0.00 C ATOM 1121 C GLU A 70 0.957 7.841 -2.666 1.00 0.00 C ATOM 1122 O GLU A 70 -0.193 8.286 -2.625 1.00 0.00 O ATOM 1123 CB GLU A 70 2.868 9.404 -2.533 1.00 0.00 C ATOM 1124 CG GLU A 70 3.909 10.064 -1.671 1.00 0.00 C ATOM 1125 CD GLU A 70 4.291 11.415 -2.177 1.00 0.00 C ATOM 1126 OE1 GLU A 70 5.229 11.524 -2.991 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.667 12.409 -1.756 1.00 0.00 O ATOM 0 H GLU A 70 3.768 7.307 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 70 1.521 8.954 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.359 8.893 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.224 10.168 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.530 10.154 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.795 9.431 -1.627 1.00 0.00 H new ATOM 1134 N LYS A 71 1.304 6.856 -3.470 1.00 0.00 N ATOM 1135 CA LYS A 71 0.318 6.269 -4.350 1.00 0.00 C ATOM 1136 C LYS A 71 -0.716 5.527 -3.510 1.00 0.00 C ATOM 1137 O LYS A 71 -1.923 5.569 -3.785 1.00 0.00 O ATOM 1138 CB LYS A 71 0.978 5.385 -5.462 1.00 0.00 C ATOM 1139 CG LYS A 71 0.838 3.854 -5.353 1.00 0.00 C ATOM 1140 CD LYS A 71 -0.568 3.389 -5.785 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.709 1.889 -5.861 1.00 0.00 C ATOM 1142 NZ LYS A 71 -2.055 1.506 -6.344 1.00 0.00 N ATOM 0 H LYS A 71 2.239 6.454 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.200 7.056 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.561 5.690 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.042 5.621 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.591 3.372 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.028 3.541 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.303 3.780 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.800 3.818 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.050 1.482 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.534 1.454 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.132 0.469 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.777 1.890 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.203 1.889 -7.299 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.254 4.892 -2.461 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.142 4.189 -1.606 1.00 0.00 C ATOM 1158 C ILE A 72 -2.015 5.195 -0.849 1.00 0.00 C ATOM 1159 O ILE A 72 -3.207 4.966 -0.673 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.401 3.214 -0.626 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.382 2.296 0.031 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.378 3.930 0.437 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.825 1.571 1.245 1.00 0.00 C ATOM 0 H ILE A 72 0.729 4.855 -2.190 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.775 3.553 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 72 0.307 2.650 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.258 2.871 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.720 1.559 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.867 3.201 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.131 4.565 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.298 4.545 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.594 0.924 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.033 0.968 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.513 2.300 1.993 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.435 6.354 -0.489 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.172 7.341 0.247 1.00 0.00 C ATOM 1177 C TYR A 73 -3.238 7.969 -0.601 1.00 0.00 C ATOM 1178 O TYR A 73 -4.347 8.175 -0.129 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.260 8.377 1.020 1.00 0.00 C ATOM 1180 CG TYR A 73 -0.643 9.623 0.367 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.321 10.438 -0.529 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.631 10.013 0.748 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -0.743 11.581 -1.032 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.216 11.147 0.248 1.00 0.00 C ATOM 1185 CZ TYR A 73 0.533 11.926 -0.638 1.00 0.00 C ATOM 1186 OH TYR A 73 1.124 13.060 -1.130 1.00 0.00 O ATOM 0 H TYR A 73 -0.470 6.608 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.689 6.816 1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.851 8.735 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.429 7.805 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.321 10.170 -0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.177 9.408 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.284 12.203 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.214 11.422 0.555 1.00 0.00 H new ATOM 0 HH TYR A 73 2.022 12.845 -1.459 1.00 0.00 H new ATOM 1196 N LYS A 74 -2.926 8.207 -1.883 1.00 0.00 N ATOM 1197 CA LYS A 74 -3.883 8.814 -2.786 1.00 0.00 C ATOM 1198 C LYS A 74 -5.030 7.856 -3.050 1.00 0.00 C ATOM 1199 O LYS A 74 -6.157 8.275 -3.189 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.240 9.304 -4.098 1.00 0.00 C ATOM 1201 CG LYS A 74 -2.786 8.203 -5.033 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.160 8.738 -6.317 1.00 0.00 C ATOM 1203 CE LYS A 74 -0.920 9.596 -6.067 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.286 10.022 -7.334 1.00 0.00 N ATOM 0 H LYS A 74 -2.024 7.987 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.275 9.705 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.957 9.935 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.382 9.931 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.063 7.570 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.639 7.572 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.891 7.900 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.900 9.329 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.197 10.475 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.201 9.033 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.552 10.602 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.000 9.183 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.964 10.581 -7.891 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.734 6.566 -3.067 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.755 5.557 -3.243 1.00 0.00 C ATOM 1220 C ILE A 75 -6.705 5.522 -2.046 1.00 0.00 C ATOM 1221 O ILE A 75 -7.929 5.455 -2.221 1.00 0.00 O ATOM 1222 CB ILE A 75 -5.128 4.149 -3.568 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -5.108 3.894 -5.084 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.835 3.001 -2.849 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.460 4.984 -5.924 1.00 0.00 C ATOM 0 H ILE A 75 -3.789 6.196 -2.960 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.355 5.829 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.104 4.177 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.584 2.957 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.134 3.759 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.358 2.057 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.770 3.152 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.883 2.974 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.499 4.704 -6.977 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.995 5.922 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.421 5.108 -5.620 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.148 5.637 -0.845 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.958 5.610 0.360 1.00 0.00 C ATOM 1239 C GLN A 76 -7.872 6.810 0.413 1.00 0.00 C ATOM 1240 O GLN A 76 -9.058 6.685 0.674 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.107 5.544 1.615 1.00 0.00 C ATOM 1242 CG GLN A 76 -5.142 4.391 1.613 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.580 4.090 2.980 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.224 4.314 3.991 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.383 3.571 3.021 1.00 0.00 N ATOM 0 H GLN A 76 -5.147 5.749 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.562 4.703 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.551 6.476 1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.759 5.463 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.646 3.504 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.322 4.612 0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.873 3.397 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.958 3.339 3.919 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.333 7.965 0.121 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.118 9.153 0.118 1.00 0.00 C ATOM 1256 C LYS A 77 -9.091 9.201 -1.067 1.00 0.00 C ATOM 1257 O LYS A 77 -10.134 9.845 -0.974 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.238 10.380 0.252 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.129 10.456 -0.765 1.00 0.00 C ATOM 1260 CD LYS A 77 -5.146 11.557 -0.454 1.00 0.00 C ATOM 1261 CE LYS A 77 -4.464 11.387 0.891 1.00 0.00 C ATOM 1262 NZ LYS A 77 -3.700 12.583 1.271 1.00 0.00 N ATOM 0 H LYS A 77 -6.350 8.099 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.760 9.145 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.860 11.271 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.802 10.394 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.604 9.501 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.556 10.621 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.388 11.590 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.666 12.515 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.213 11.177 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.797 10.526 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.249 12.428 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.968 12.769 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.341 13.400 1.331 1.00 0.00 H new ATOM 1276 N GLU A 78 -8.750 8.523 -2.181 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.650 8.452 -3.333 1.00 0.00 C ATOM 1278 C GLU A 78 -10.890 7.656 -2.965 1.00 0.00 C ATOM 1279 O GLU A 78 -12.019 8.092 -3.209 1.00 0.00 O ATOM 1280 CB GLU A 78 -8.980 7.833 -4.585 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.793 8.066 -5.842 1.00 0.00 C ATOM 1282 CD GLU A 78 -9.081 7.704 -7.109 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -8.402 8.580 -7.683 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -9.227 6.565 -7.589 1.00 0.00 O ATOM 0 H GLU A 78 -7.868 8.025 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.920 9.476 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.986 8.261 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.848 6.762 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.714 7.487 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.079 9.117 -5.887 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.685 6.505 -2.335 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.795 5.662 -1.937 1.00 0.00 C ATOM 1293 C LEU A 79 -12.633 6.333 -0.868 1.00 0.00 C ATOM 1294 O LEU A 79 -13.862 6.191 -0.843 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.325 4.238 -1.528 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.333 4.092 -0.352 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.026 4.102 1.005 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.497 2.849 -0.528 1.00 0.00 C ATOM 0 H LEU A 79 -9.764 6.140 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.439 5.526 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.213 3.654 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.869 3.776 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.679 4.964 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.282 3.996 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.560 5.043 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.732 3.274 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.802 2.757 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.147 1.974 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.937 2.916 -1.461 1.00 0.00 H new ATOM 1310 N GLU A 80 -11.965 7.078 -0.021 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.558 7.792 1.037 1.00 0.00 C ATOM 1312 C GLU A 80 -13.472 8.894 0.489 1.00 0.00 C ATOM 1313 O GLU A 80 -14.647 8.908 0.802 1.00 0.00 O ATOM 1314 CB GLU A 80 -11.415 8.328 1.864 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.741 8.756 3.248 1.00 0.00 C ATOM 1316 CD GLU A 80 -12.295 10.158 3.345 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -11.517 11.103 3.179 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -13.516 10.346 3.588 1.00 0.00 O ATOM 0 H GLU A 80 -10.953 7.195 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.201 7.167 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.643 7.560 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.982 9.178 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.466 8.060 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.841 8.689 3.859 1.00 0.00 H new ATOM 1325 N GLU A 81 -12.953 9.756 -0.395 1.00 0.00 N ATOM 1326 CA GLU A 81 -13.764 10.854 -0.947 1.00 0.00 C ATOM 1327 C GLU A 81 -14.962 10.336 -1.744 1.00 0.00 C ATOM 1328 O GLU A 81 -16.063 10.903 -1.663 1.00 0.00 O ATOM 1329 CB GLU A 81 -12.939 11.835 -1.806 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.218 11.190 -2.974 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.612 12.174 -3.934 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -10.653 12.878 -3.568 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -12.056 12.232 -5.091 1.00 0.00 O ATOM 0 H GLU A 81 -11.994 9.719 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.135 11.405 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.602 12.611 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.205 12.328 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.431 10.541 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.919 10.554 -3.515 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.766 9.247 -2.488 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.844 8.697 -3.288 1.00 0.00 C ATOM 1342 C LYS A 82 -16.908 8.037 -2.432 1.00 0.00 C ATOM 1343 O LYS A 82 -18.088 8.048 -2.787 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.328 7.801 -4.442 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.550 6.560 -4.053 1.00 0.00 C ATOM 1346 CD LYS A 82 -15.449 5.364 -3.855 1.00 0.00 C ATOM 1347 CE LYS A 82 -14.639 4.149 -3.503 1.00 0.00 C ATOM 1348 NZ LYS A 82 -15.472 2.960 -3.364 1.00 0.00 N ATOM 0 H LYS A 82 -13.883 8.740 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.339 9.535 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.185 7.490 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.694 8.410 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.815 6.336 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.997 6.753 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.169 5.570 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.020 5.177 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.888 3.978 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.103 4.328 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.875 2.144 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.172 3.113 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.964 2.774 -4.261 1.00 0.00 H new ATOM 1587 N THR B 110 -0.743 10.517 8.542 1.00 0.00 N ATOM 1588 CA THR B 110 -1.366 9.313 8.983 1.00 0.00 C ATOM 1589 C THR B 110 -0.680 8.095 8.366 1.00 0.00 C ATOM 1590 O THR B 110 -0.300 7.151 9.071 1.00 0.00 O ATOM 1591 CB THR B 110 -2.832 9.348 8.527 1.00 0.00 C ATOM 1592 OG1 THR B 110 -3.435 10.575 8.968 1.00 0.00 O ATOM 1593 CG2 THR B 110 -3.597 8.167 9.065 1.00 0.00 C ATOM 0 HA THR B 110 -1.292 9.238 10.068 1.00 0.00 H new ATOM 0 HB THR B 110 -2.863 9.294 7.439 1.00 0.00 H new ATOM 0 HG1 THR B 110 -2.740 11.255 9.092 1.00 0.00 H new ATOM 0 HG21 THR B 110 -4.632 8.219 8.726 1.00 0.00 H new ATOM 0 HG22 THR B 110 -3.142 7.244 8.704 1.00 0.00 H new ATOM 0 HG23 THR B 110 -3.571 8.183 10.155 1.00 0.00 H new ATOM 1601 N LEU B 111 -0.439 8.182 7.075 1.00 0.00 N ATOM 1602 CA LEU B 111 0.070 7.062 6.320 1.00 0.00 C ATOM 1603 C LEU B 111 1.516 6.778 6.615 1.00 0.00 C ATOM 1604 O LEU B 111 1.863 5.647 6.972 1.00 0.00 O ATOM 1605 CB LEU B 111 -0.167 7.214 4.802 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.631 7.175 4.313 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.372 6.004 4.914 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.370 8.485 4.563 1.00 0.00 C ATOM 0 H LEU B 111 -0.590 9.027 6.524 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.505 6.198 6.653 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.271 8.160 4.484 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.381 6.422 4.293 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.598 7.041 3.232 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.400 6.000 4.553 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.882 5.075 4.623 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.369 6.091 6.001 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.394 8.400 4.199 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.381 8.698 5.632 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.864 9.294 4.037 1.00 0.00 H new ATOM 1620 N GLN B 112 2.355 7.793 6.519 1.00 0.00 N ATOM 1621 CA GLN B 112 3.780 7.595 6.716 1.00 0.00 C ATOM 1622 C GLN B 112 4.099 7.231 8.160 1.00 0.00 C ATOM 1623 O GLN B 112 4.952 6.383 8.412 1.00 0.00 O ATOM 1624 CB GLN B 112 4.605 8.789 6.253 1.00 0.00 C ATOM 1625 CG GLN B 112 4.470 9.117 4.776 1.00 0.00 C ATOM 1626 CD GLN B 112 5.386 10.256 4.367 1.00 0.00 C ATOM 1627 OE1 GLN B 112 5.009 11.418 4.401 1.00 0.00 O ATOM 1628 NE2 GLN B 112 6.603 9.937 4.024 1.00 0.00 N ATOM 0 H GLN B 112 2.080 8.752 6.308 1.00 0.00 H new ATOM 0 HA GLN B 112 4.065 6.752 6.087 1.00 0.00 H new ATOM 0 HB2 GLN B 112 4.312 9.663 6.834 1.00 0.00 H new ATOM 0 HB3 GLN B 112 5.655 8.596 6.474 1.00 0.00 H new ATOM 0 HG2 GLN B 112 4.703 8.232 4.184 1.00 0.00 H new ATOM 0 HG3 GLN B 112 3.437 9.384 4.556 1.00 0.00 H new ATOM 0 HE21 GLN B 112 6.887 8.958 4.005 1.00 0.00 H new ATOM 0 HE22 GLN B 112 7.270 10.667 3.774 1.00 0.00 H new ATOM 1637 N ASP B 113 3.370 7.829 9.101 1.00 0.00 N ATOM 1638 CA ASP B 113 3.559 7.536 10.529 1.00 0.00 C ATOM 1639 C ASP B 113 3.193 6.094 10.818 1.00 0.00 C ATOM 1640 O ASP B 113 3.951 5.361 11.471 1.00 0.00 O ATOM 1641 CB ASP B 113 2.713 8.462 11.399 1.00 0.00 C ATOM 1642 CG ASP B 113 2.867 8.196 12.882 1.00 0.00 C ATOM 1643 OD1 ASP B 113 3.820 8.725 13.499 1.00 0.00 O ATOM 1644 OD2 ASP B 113 2.023 7.468 13.460 1.00 0.00 O ATOM 0 H ASP B 113 2.644 8.518 8.906 1.00 0.00 H new ATOM 0 HA ASP B 113 4.609 7.701 10.769 1.00 0.00 H new ATOM 0 HB2 ASP B 113 2.988 9.496 11.192 1.00 0.00 H new ATOM 0 HB3 ASP B 113 1.664 8.350 11.124 1.00 0.00 H new ATOM 1649 N LEU B 114 2.044 5.671 10.285 1.00 0.00 N ATOM 1650 CA LEU B 114 1.573 4.305 10.449 1.00 0.00 C ATOM 1651 C LEU B 114 2.586 3.349 9.841 1.00 0.00 C ATOM 1652 O LEU B 114 2.938 2.315 10.442 1.00 0.00 O ATOM 1653 CB LEU B 114 0.206 4.120 9.774 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.437 2.735 9.898 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.747 2.405 11.351 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.691 2.649 9.044 1.00 0.00 C ATOM 0 H LEU B 114 1.423 6.264 9.734 1.00 0.00 H new ATOM 0 HA LEU B 114 1.461 4.093 11.512 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.483 4.854 10.192 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.315 4.352 8.714 1.00 0.00 H new ATOM 0 HG LEU B 114 0.277 1.996 9.533 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.203 1.417 11.410 1.00 0.00 H new ATOM 0 HD12 LEU B 114 0.176 2.415 11.931 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -1.436 3.147 11.754 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -2.133 1.658 9.146 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.408 3.401 9.373 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.433 2.826 8.000 1.00 0.00 H new ATOM 1668 N LEU B 115 3.060 3.698 8.645 1.00 0.00 N ATOM 1669 CA LEU B 115 4.074 2.930 7.964 1.00 0.00 C ATOM 1670 C LEU B 115 5.304 2.754 8.845 1.00 0.00 C ATOM 1671 O LEU B 115 5.536 1.675 9.356 1.00 0.00 O ATOM 1672 CB LEU B 115 4.546 3.628 6.693 1.00 0.00 C ATOM 1673 CG LEU B 115 3.741 3.519 5.418 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.445 4.344 4.356 1.00 0.00 C ATOM 1675 CD2 LEU B 115 3.643 2.074 4.954 1.00 0.00 C ATOM 0 H LEU B 115 2.746 4.521 8.131 1.00 0.00 H new ATOM 0 HA LEU B 115 3.619 1.969 7.726 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.642 4.689 6.924 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.548 3.258 6.475 1.00 0.00 H new ATOM 0 HG LEU B 115 2.728 3.883 5.593 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.887 4.286 3.421 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.502 5.383 4.681 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.452 3.956 4.202 1.00 0.00 H new ATOM 0 HD21 LEU B 115 3.059 2.026 4.035 1.00 0.00 H new ATOM 0 HD22 LEU B 115 4.643 1.683 4.769 1.00 0.00 H new ATOM 0 HD23 LEU B 115 3.157 1.476 5.725 1.00 0.00 H new ATOM 1687 N THR B 116 6.005 3.863 9.110 1.00 0.00 N ATOM 1688 CA THR B 116 7.303 3.843 9.786 1.00 0.00 C ATOM 1689 C THR B 116 7.243 3.182 11.171 1.00 0.00 C ATOM 1690 O THR B 116 8.232 2.584 11.626 1.00 0.00 O ATOM 1691 CB THR B 116 7.960 5.272 9.856 1.00 0.00 C ATOM 1692 OG1 THR B 116 9.293 5.207 10.384 1.00 0.00 O ATOM 1693 CG2 THR B 116 7.136 6.224 10.698 1.00 0.00 C ATOM 0 H THR B 116 5.686 4.799 8.861 1.00 0.00 H new ATOM 0 HA THR B 116 7.950 3.219 9.170 1.00 0.00 H new ATOM 0 HB THR B 116 7.998 5.649 8.834 1.00 0.00 H new ATOM 0 HG1 THR B 116 9.677 6.108 10.415 1.00 0.00 H new ATOM 0 HG21 THR B 116 7.621 7.200 10.723 1.00 0.00 H new ATOM 0 HG22 THR B 116 6.141 6.324 10.265 1.00 0.00 H new ATOM 0 HG23 THR B 116 7.053 5.834 11.712 1.00 0.00 H new ATOM 1701 N SER B 117 6.097 3.256 11.825 1.00 0.00 N ATOM 1702 CA SER B 117 5.965 2.633 13.100 1.00 0.00 C ATOM 1703 C SER B 117 5.864 1.108 12.981 1.00 0.00 C ATOM 1704 O SER B 117 6.659 0.387 13.590 1.00 0.00 O ATOM 1705 CB SER B 117 4.812 3.239 13.895 1.00 0.00 C ATOM 1706 OG SER B 117 3.610 3.288 13.139 1.00 0.00 O ATOM 0 H SER B 117 5.264 3.738 11.488 1.00 0.00 H new ATOM 0 HA SER B 117 6.876 2.834 13.664 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.648 2.653 14.799 1.00 0.00 H new ATOM 0 HB3 SER B 117 5.081 4.246 14.213 1.00 0.00 H new ATOM 0 HG SER B 117 3.579 4.124 12.628 1.00 0.00 H new ATOM 1712 N ASP B 118 4.943 0.608 12.156 1.00 0.00 N ATOM 1713 CA ASP B 118 4.785 -0.858 12.057 1.00 0.00 C ATOM 1714 C ASP B 118 5.888 -1.503 11.235 1.00 0.00 C ATOM 1715 O ASP B 118 6.426 -2.542 11.628 1.00 0.00 O ATOM 1716 CB ASP B 118 3.469 -1.301 11.437 1.00 0.00 C ATOM 1717 CG ASP B 118 2.212 -0.893 12.126 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.984 -1.279 13.295 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.398 -0.205 11.476 1.00 0.00 O ATOM 0 H ASP B 118 4.318 1.159 11.568 1.00 0.00 H new ATOM 0 HA ASP B 118 4.823 -1.184 13.097 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.432 -0.919 10.417 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.478 -2.389 11.370 1.00 0.00 H new ATOM 1724 N SER B 119 6.223 -0.884 10.099 1.00 0.00 N ATOM 1725 CA SER B 119 7.170 -1.440 9.129 1.00 0.00 C ATOM 1726 C SER B 119 8.516 -1.739 9.766 1.00 0.00 C ATOM 1727 O SER B 119 9.005 -2.871 9.740 1.00 0.00 O ATOM 1728 CB SER B 119 7.377 -0.450 7.976 1.00 0.00 C ATOM 1729 OG SER B 119 6.155 -0.060 7.368 1.00 0.00 O ATOM 0 H SER B 119 5.842 0.022 9.825 1.00 0.00 H new ATOM 0 HA SER B 119 6.747 -2.374 8.757 1.00 0.00 H new ATOM 0 HB2 SER B 119 7.892 0.435 8.350 1.00 0.00 H new ATOM 0 HB3 SER B 119 8.025 -0.902 7.225 1.00 0.00 H new ATOM 0 HG SER B 119 5.670 0.545 7.967 1.00 0.00 H new ATOM 1958 N MET B 141 -14.612 0.021 -5.943 1.00 0.00 N ATOM 1959 CA MET B 141 -13.307 0.604 -6.236 1.00 0.00 C ATOM 1960 C MET B 141 -12.566 -0.366 -7.154 1.00 0.00 C ATOM 1961 O MET B 141 -11.657 0.007 -7.908 1.00 0.00 O ATOM 1962 CB MET B 141 -12.533 0.763 -4.915 1.00 0.00 C ATOM 1963 CG MET B 141 -11.297 1.651 -4.963 1.00 0.00 C ATOM 1964 SD MET B 141 -11.710 3.386 -5.274 1.00 0.00 S ATOM 1965 CE MET B 141 -10.101 4.172 -5.080 1.00 0.00 C ATOM 0 HA MET B 141 -13.405 1.578 -6.715 1.00 0.00 H new ATOM 0 HB2 MET B 141 -13.214 1.164 -4.165 1.00 0.00 H new ATOM 0 HB3 MET B 141 -12.231 -0.227 -4.574 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.758 1.572 -4.019 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.626 1.294 -5.744 1.00 0.00 H new ATOM 0 HE1 MET B 141 -10.158 4.930 -4.299 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.360 3.421 -4.804 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.809 4.641 -6.020 1.00 0.00 H new ATOM 1975 N GLU B 142 -13.001 -1.627 -7.092 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.437 -2.721 -7.851 1.00 0.00 C ATOM 1977 C GLU B 142 -12.301 -2.459 -9.346 1.00 0.00 C ATOM 1978 O GLU B 142 -11.469 -3.062 -9.979 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.133 -4.042 -7.596 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.837 -4.639 -6.236 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.409 -6.018 -6.119 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -12.811 -6.955 -6.687 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -14.478 -6.196 -5.498 1.00 0.00 O ATOM 0 H GLU B 142 -13.776 -1.912 -6.493 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.420 -2.796 -7.466 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.209 -3.899 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -12.835 -4.753 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.759 -4.674 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.254 -4.001 -5.456 1.00 0.00 H new ATOM 1990 N SER B 143 -13.134 -1.604 -9.903 1.00 0.00 N ATOM 1991 CA SER B 143 -13.045 -1.255 -11.313 1.00 0.00 C ATOM 1992 C SER B 143 -11.644 -0.650 -11.644 1.00 0.00 C ATOM 1993 O SER B 143 -10.903 -1.168 -12.523 1.00 0.00 O ATOM 1994 CB SER B 143 -14.169 -0.283 -11.640 1.00 0.00 C ATOM 1995 OG SER B 143 -15.402 -0.822 -11.180 1.00 0.00 O ATOM 0 H SER B 143 -13.886 -1.133 -9.400 1.00 0.00 H new ATOM 0 HA SER B 143 -13.155 -2.148 -11.928 1.00 0.00 H new ATOM 0 HB2 SER B 143 -13.981 0.681 -11.168 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.213 -0.108 -12.715 1.00 0.00 H new ATOM 0 HG SER B 143 -16.129 -0.198 -11.387 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.247 0.380 -10.898 1.00 0.00 N ATOM 2002 CA ILE B 144 -9.940 0.986 -11.100 1.00 0.00 C ATOM 2003 C ILE B 144 -8.833 0.095 -10.560 1.00 0.00 C ATOM 2004 O ILE B 144 -7.699 0.142 -11.022 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.841 2.492 -10.644 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.380 2.764 -9.221 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.554 3.380 -11.634 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.463 2.395 -8.079 1.00 0.00 C ATOM 0 H ILE B 144 -11.806 0.805 -10.158 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.792 1.051 -12.178 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.776 2.722 -10.614 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.617 3.825 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.316 2.219 -9.099 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.480 4.418 -11.310 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.094 3.272 -12.616 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.604 3.092 -11.691 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.948 2.631 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.244 1.328 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.534 2.959 -8.161 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.192 -0.752 -9.612 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.276 -1.771 -9.105 1.00 0.00 C ATOM 2022 C ILE B 145 -7.950 -2.766 -10.197 1.00 0.00 C ATOM 2023 O ILE B 145 -6.809 -3.165 -10.360 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.888 -2.521 -7.901 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -9.130 -1.565 -6.719 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.130 -3.811 -7.521 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.982 -0.604 -6.443 1.00 0.00 C ATOM 0 H ILE B 145 -10.113 -0.758 -9.173 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.365 -1.269 -8.779 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.866 -2.884 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -10.033 -0.987 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -9.317 -2.156 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.618 -4.282 -6.668 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.135 -4.498 -8.367 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.101 -3.565 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -8.236 0.032 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.080 -1.171 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.807 0.016 -7.322 1.00 0.00 H new ATOM 2039 N ARG B 146 -8.969 -3.151 -10.938 1.00 0.00 N ATOM 2040 CA ARG B 146 -8.836 -4.072 -12.030 1.00 0.00 C ATOM 2041 C ARG B 146 -7.926 -3.483 -13.085 1.00 0.00 C ATOM 2042 O ARG B 146 -7.099 -4.191 -13.659 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.210 -4.462 -12.568 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.189 -5.456 -13.708 1.00 0.00 C ATOM 2045 CD ARG B 146 -11.565 -6.056 -13.933 1.00 0.00 C ATOM 2046 NE ARG B 146 -12.610 -5.042 -14.152 1.00 0.00 N ATOM 2047 CZ ARG B 146 -13.933 -5.295 -14.117 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -14.375 -6.502 -13.748 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -14.805 -4.337 -14.416 1.00 0.00 N ATOM 0 H ARG B 146 -9.924 -2.824 -10.790 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.370 -4.996 -11.686 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -10.798 -4.880 -11.751 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.723 -3.560 -12.901 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -9.850 -4.963 -14.619 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -9.474 -6.249 -13.490 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -11.528 -6.722 -14.795 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -11.834 -6.666 -13.070 1.00 0.00 H new ATOM 0 HE ARG B 146 -12.313 -4.085 -14.343 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -13.710 -7.232 -13.493 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -15.377 -6.692 -13.722 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -14.473 -3.407 -14.673 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -15.806 -4.532 -14.389 1.00 0.00 H new ATOM 2063 N SER B 147 -8.044 -2.172 -13.289 1.00 0.00 N ATOM 2064 CA SER B 147 -7.125 -1.451 -14.155 1.00 0.00 C ATOM 2065 C SER B 147 -5.666 -1.654 -13.675 1.00 0.00 C ATOM 2066 O SER B 147 -4.813 -2.125 -14.442 1.00 0.00 O ATOM 2067 CB SER B 147 -7.466 0.034 -14.140 1.00 0.00 C ATOM 2068 OG SER B 147 -8.826 0.250 -14.500 1.00 0.00 O ATOM 0 H SER B 147 -8.768 -1.592 -12.865 1.00 0.00 H new ATOM 0 HA SER B 147 -7.220 -1.837 -15.170 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.280 0.443 -13.147 1.00 0.00 H new ATOM 0 HB3 SER B 147 -6.814 0.567 -14.832 1.00 0.00 H new ATOM 0 HG SER B 147 -9.021 1.210 -14.481 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.408 -1.359 -12.391 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.060 -1.466 -11.831 1.00 0.00 C ATOM 2076 C GLU B 148 -3.546 -2.910 -11.779 1.00 0.00 C ATOM 2077 O GLU B 148 -2.378 -3.163 -12.058 1.00 0.00 O ATOM 2078 CB GLU B 148 -3.956 -0.879 -10.430 1.00 0.00 C ATOM 2079 CG GLU B 148 -4.283 0.589 -10.278 1.00 0.00 C ATOM 2080 CD GLU B 148 -3.818 1.097 -8.930 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -4.398 0.733 -7.897 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -2.796 1.843 -8.878 1.00 0.00 O ATOM 0 H GLU B 148 -6.116 -1.046 -11.726 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.440 -0.887 -12.516 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.620 -1.444 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -2.940 -1.039 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.803 1.159 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.357 0.741 -10.380 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.390 -3.859 -11.399 1.00 0.00 N ATOM 2090 CA LEU B 149 -3.941 -5.239 -11.300 1.00 0.00 C ATOM 2091 C LEU B 149 -3.628 -5.828 -12.663 1.00 0.00 C ATOM 2092 O LEU B 149 -2.692 -6.618 -12.793 1.00 0.00 O ATOM 2093 CB LEU B 149 -4.837 -6.157 -10.386 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.336 -6.297 -10.707 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.591 -7.112 -11.971 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.077 -6.899 -9.528 1.00 0.00 C ATOM 0 H LEU B 149 -5.369 -3.704 -11.159 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.996 -5.208 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.403 -7.157 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -4.753 -5.786 -9.365 1.00 0.00 H new ATOM 0 HG LEU B 149 -6.716 -5.293 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.664 -7.179 -12.150 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.111 -6.626 -12.820 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.180 -8.114 -11.847 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.135 -6.991 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -6.669 -7.885 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -6.960 -6.254 -8.657 1.00 0.00 H new ATOM 2108 N MET B 150 -4.335 -5.377 -13.680 1.00 0.00 N ATOM 2109 CA MET B 150 -4.072 -5.828 -15.029 1.00 0.00 C ATOM 2110 C MET B 150 -2.828 -5.140 -15.589 1.00 0.00 C ATOM 2111 O MET B 150 -1.869 -5.804 -15.988 1.00 0.00 O ATOM 2112 CB MET B 150 -5.275 -5.583 -15.947 1.00 0.00 C ATOM 2113 CG MET B 150 -5.061 -6.062 -17.376 1.00 0.00 C ATOM 2114 SD MET B 150 -6.493 -5.789 -18.429 1.00 0.00 S ATOM 2115 CE MET B 150 -5.903 -6.487 -19.964 1.00 0.00 C ATOM 0 H MET B 150 -5.094 -4.700 -13.597 1.00 0.00 H new ATOM 0 HA MET B 150 -3.894 -6.903 -14.991 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.147 -6.087 -15.531 1.00 0.00 H new ATOM 0 HB3 MET B 150 -5.500 -4.516 -15.960 1.00 0.00 H new ATOM 0 HG2 MET B 150 -4.200 -5.546 -17.801 1.00 0.00 H new ATOM 0 HG3 MET B 150 -4.822 -7.125 -17.365 1.00 0.00 H new ATOM 0 HE1 MET B 150 -6.677 -6.397 -20.726 1.00 0.00 H new ATOM 0 HE2 MET B 150 -5.011 -5.951 -20.288 1.00 0.00 H new ATOM 0 HE3 MET B 150 -5.661 -7.539 -19.816 1.00 0.00 H new