USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 784 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 39 HIS : +bothHN:sc= -1.51 K(o=-6.5,f=-26!) USER MOD Set 1.2: A 89 CYS SG : rot 159:sc= -3.07! USER MOD Set 1.3: A 92 HIS : no HD1:sc= -1.94 K(o=-6.5,f=-19!) USER MOD Set 2.1: A 72 THR OG1 : rot -111:sc= 0.913 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0.779 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -151:sc= 0.121! (180deg=1.06) USER MOD Set 3.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 102 THR OG1 : rot -160:sc= -1.52! USER MOD Set 4.1: A 4 THR OG1 : rot 180:sc= 0.252 USER MOD Set 4.2: A 6 LYS NZ :NH3+ -127:sc= 0.991 (180deg=-1.27) USER MOD Set 5.1: A 3 TYR OH : rot 30:sc= 0.685 USER MOD Set 5.2: A 24 LYS NZ :NH3+ 144:sc= 1.92 (180deg=-1.56!) USER MOD Set 6.1: A 1 GLU N :NH3+ -110:sc= -3.79! (180deg=-6.27!) USER MOD Set 6.2: A 28 THR OG1 : rot -47:sc= 1.23 USER MOD Set 6.3: A 75 THR OG1 : rot -179:sc= 0.792 USER MOD Single : A 2 THR OG1 : rot 68:sc= 1.28 USER MOD Single : A 9 SER OG : rot 180:sc= 0.496 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -1.97! (180deg=-2.89!) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.6 F(o=-2.3,f=-1.6) USER MOD Single : A 34 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.8!) USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= -2.5! (180deg=-6.79!) USER MOD Single : A 40 ASN : amide:sc= -7.27! C(o=-7.3!,f=-15!) USER MOD Single : A 48 ASN : amide:sc= -1.06 K(o=-1.1,f=-8.8!) USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= 1.94 (180deg=0.972) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= 1.15 (180deg=0.413) USER MOD Single : A 58 SER OG : rot 101:sc= 0.713 USER MOD Single : A 60 SER OG : rot -130:sc= -2.67! USER MOD Single : A 61 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-5.5!) USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= 1.06! (180deg=0.911) USER MOD Single : A 63 GLN : amide:sc= 0.979 K(o=0.98,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -119:sc= 1.17 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 166:sc= -1.82 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 85 TYR OH : rot -70:sc= -0.527 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.804 USER MOD Single : A 88 TYR OH : rot 175:sc= 0.85 USER MOD Single : A 97 MET CE :methyl -132:sc= -0.646 (180deg=-1.87) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= -1.17! (180deg=-1.84!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -1.342 -6.269 -17.931 1.00 0.00 N ATOM 2 CA GLU A 1 -2.310 -5.151 -18.212 1.00 0.00 C ATOM 3 C GLU A 1 -3.117 -4.894 -16.935 1.00 0.00 C ATOM 4 O GLU A 1 -4.023 -5.654 -16.641 1.00 0.00 O ATOM 5 CB GLU A 1 -3.273 -5.545 -19.392 1.00 0.00 C ATOM 6 CG GLU A 1 -2.432 -5.603 -20.708 1.00 0.00 C ATOM 7 CD GLU A 1 -1.202 -6.434 -20.462 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.381 -7.627 -20.399 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.180 -5.811 -20.284 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.373 -5.891 -17.906 1.00 0.00 H new ATOM 0 H2 GLU A 1 -1.569 -6.702 -17.013 1.00 0.00 H new ATOM 0 H3 GLU A 1 -1.414 -6.987 -18.680 1.00 0.00 H new ATOM 0 HA GLU A 1 -1.770 -4.251 -18.506 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -3.740 -6.510 -19.196 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.077 -4.815 -19.486 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -3.024 -6.035 -21.515 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -2.151 -4.597 -21.021 1.00 0.00 H new ATOM 18 N THR A 2 -2.817 -3.863 -16.184 1.00 0.00 N ATOM 19 CA THR A 2 -3.606 -3.626 -14.930 1.00 0.00 C ATOM 20 C THR A 2 -4.672 -2.499 -14.910 1.00 0.00 C ATOM 21 O THR A 2 -4.970 -1.819 -15.870 1.00 0.00 O ATOM 22 CB THR A 2 -2.585 -3.393 -13.789 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.257 -3.725 -12.586 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.353 -1.914 -13.538 1.00 0.00 C ATOM 0 H THR A 2 -2.077 -3.187 -16.376 1.00 0.00 H new ATOM 0 HA THR A 2 -4.224 -4.518 -14.823 1.00 0.00 H new ATOM 0 HB THR A 2 -1.677 -3.939 -14.046 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.428 -4.690 -12.562 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.631 -1.791 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.967 -1.447 -14.444 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.294 -1.440 -13.258 1.00 0.00 H new ATOM 32 N TYR A 3 -5.183 -2.369 -13.734 1.00 0.00 N ATOM 33 CA TYR A 3 -6.239 -1.407 -13.293 1.00 0.00 C ATOM 34 C TYR A 3 -5.395 -0.421 -12.440 1.00 0.00 C ATOM 35 O TYR A 3 -5.338 -0.433 -11.229 1.00 0.00 O ATOM 36 CB TYR A 3 -7.267 -2.335 -12.550 1.00 0.00 C ATOM 37 CG TYR A 3 -7.356 -3.634 -13.396 1.00 0.00 C ATOM 38 CD1 TYR A 3 -7.690 -3.548 -14.731 1.00 0.00 C ATOM 39 CD2 TYR A 3 -7.072 -4.878 -12.867 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.737 -4.670 -15.531 1.00 0.00 C ATOM 41 CE2 TYR A 3 -7.122 -6.000 -13.677 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.452 -5.896 -15.003 1.00 0.00 C ATOM 43 OH TYR A 3 -7.482 -7.016 -15.800 1.00 0.00 O ATOM 0 H TYR A 3 -4.875 -2.963 -12.964 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.822 -0.821 -14.004 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.935 -2.552 -11.535 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.241 -1.853 -12.470 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.919 -2.583 -15.158 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.811 -4.975 -11.823 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.999 -4.579 -16.575 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.898 -6.970 -13.258 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.247 -6.770 -16.719 1.00 0.00 H new ATOM 53 N THR A 4 -4.737 0.425 -13.178 1.00 0.00 N ATOM 54 CA THR A 4 -3.811 1.492 -12.633 1.00 0.00 C ATOM 55 C THR A 4 -4.196 2.315 -11.393 1.00 0.00 C ATOM 56 O THR A 4 -4.821 3.359 -11.444 1.00 0.00 O ATOM 57 CB THR A 4 -3.459 2.503 -13.763 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.638 3.234 -14.071 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.162 1.848 -15.094 1.00 0.00 C ATOM 0 H THR A 4 -4.799 0.430 -14.196 1.00 0.00 H new ATOM 0 HA THR A 4 -2.990 0.872 -12.273 1.00 0.00 H new ATOM 0 HB THR A 4 -2.603 3.069 -13.394 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.445 3.882 -14.781 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.925 2.614 -15.832 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.313 1.174 -14.986 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.034 1.283 -15.424 1.00 0.00 H new ATOM 67 N VAL A 5 -3.786 1.815 -10.264 1.00 0.00 N ATOM 68 CA VAL A 5 -4.077 2.501 -8.966 1.00 0.00 C ATOM 69 C VAL A 5 -3.535 3.955 -8.976 1.00 0.00 C ATOM 70 O VAL A 5 -2.644 4.340 -9.720 1.00 0.00 O ATOM 71 CB VAL A 5 -3.424 1.632 -7.841 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.655 2.246 -6.450 1.00 0.00 C ATOM 73 CG2 VAL A 5 -4.112 0.257 -7.824 1.00 0.00 C ATOM 0 H VAL A 5 -3.254 0.949 -10.179 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.150 2.587 -8.793 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.356 1.568 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.188 1.617 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.216 3.243 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.725 2.314 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.668 -0.362 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.176 0.385 -7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.980 -0.228 -8.791 1.00 0.00 H new ATOM 83 N LYS A 6 -4.102 4.765 -8.145 1.00 0.00 N ATOM 84 CA LYS A 6 -3.676 6.192 -8.046 1.00 0.00 C ATOM 85 C LYS A 6 -3.376 6.484 -6.547 1.00 0.00 C ATOM 86 O LYS A 6 -4.011 5.912 -5.685 1.00 0.00 O ATOM 87 CB LYS A 6 -4.874 7.022 -8.636 1.00 0.00 C ATOM 88 CG LYS A 6 -5.325 6.485 -10.068 1.00 0.00 C ATOM 89 CD LYS A 6 -4.549 7.217 -11.199 1.00 0.00 C ATOM 90 CE LYS A 6 -4.484 6.474 -12.559 1.00 0.00 C ATOM 91 NZ LYS A 6 -3.598 5.285 -12.445 1.00 0.00 N ATOM 0 H LYS A 6 -4.859 4.502 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.771 6.447 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.719 6.977 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.584 8.070 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.145 5.412 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.396 6.637 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.011 8.191 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.530 7.400 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.484 6.165 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.109 7.145 -13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.878 5.316 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.131 5.288 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.165 4.419 -12.545 1.00 0.00 H new ATOM 105 N LEU A 7 -2.423 7.323 -6.262 1.00 0.00 N ATOM 106 CA LEU A 7 -2.112 7.638 -4.830 1.00 0.00 C ATOM 107 C LEU A 7 -2.058 9.167 -4.626 1.00 0.00 C ATOM 108 O LEU A 7 -1.156 9.868 -5.059 1.00 0.00 O ATOM 109 CB LEU A 7 -0.769 6.940 -4.448 1.00 0.00 C ATOM 110 CG LEU A 7 0.385 7.195 -5.422 1.00 0.00 C ATOM 111 CD1 LEU A 7 1.667 7.052 -4.634 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.433 6.065 -6.456 1.00 0.00 C ATOM 0 H LEU A 7 -1.845 7.805 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.894 7.259 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.470 7.277 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.940 5.866 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 7 0.262 8.170 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.519 7.226 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.679 7.781 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.729 6.046 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.253 6.243 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.588 5.113 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.508 6.034 -7.005 1.00 0.00 H new ATOM 124 N GLY A 8 -3.086 9.617 -3.971 1.00 0.00 N ATOM 125 CA GLY A 8 -3.305 11.060 -3.628 1.00 0.00 C ATOM 126 C GLY A 8 -4.484 11.648 -4.405 1.00 0.00 C ATOM 127 O GLY A 8 -4.261 12.587 -5.142 1.00 0.00 O ATOM 0 H GLY A 8 -3.833 9.008 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.488 11.157 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.402 11.629 -3.849 1.00 0.00 H new ATOM 131 N SER A 9 -5.663 11.094 -4.228 1.00 0.00 N ATOM 132 CA SER A 9 -6.959 11.535 -4.909 1.00 0.00 C ATOM 133 C SER A 9 -6.933 12.729 -5.874 1.00 0.00 C ATOM 134 O SER A 9 -7.367 12.650 -7.008 1.00 0.00 O ATOM 135 CB SER A 9 -8.004 11.817 -3.783 1.00 0.00 C ATOM 136 OG SER A 9 -8.921 12.807 -4.281 1.00 0.00 O ATOM 0 H SER A 9 -5.799 10.302 -3.600 1.00 0.00 H new ATOM 0 HA SER A 9 -7.201 10.706 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.535 10.903 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.508 12.174 -2.880 1.00 0.00 H new ATOM 0 HG SER A 9 -9.593 13.005 -3.595 1.00 0.00 H new ATOM 142 N ASP A 10 -6.425 13.782 -5.300 1.00 0.00 N ATOM 143 CA ASP A 10 -6.225 15.133 -5.898 1.00 0.00 C ATOM 144 C ASP A 10 -7.263 16.148 -5.361 1.00 0.00 C ATOM 145 O ASP A 10 -6.994 17.334 -5.308 1.00 0.00 O ATOM 146 CB ASP A 10 -6.314 15.044 -7.462 1.00 0.00 C ATOM 147 CG ASP A 10 -5.838 16.332 -8.039 1.00 0.00 C ATOM 148 OD1 ASP A 10 -6.630 17.244 -8.109 1.00 0.00 O ATOM 149 OD2 ASP A 10 -4.682 16.368 -8.357 1.00 0.00 O ATOM 0 H ASP A 10 -6.107 13.749 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.234 15.486 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.706 14.217 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.340 14.847 -7.772 1.00 0.00 H new ATOM 154 N LYS A 11 -8.398 15.638 -4.974 1.00 0.00 N ATOM 155 CA LYS A 11 -9.515 16.493 -4.446 1.00 0.00 C ATOM 156 C LYS A 11 -9.754 16.330 -2.915 1.00 0.00 C ATOM 157 O LYS A 11 -10.828 15.977 -2.474 1.00 0.00 O ATOM 158 CB LYS A 11 -10.789 16.110 -5.262 1.00 0.00 C ATOM 159 CG LYS A 11 -10.524 15.968 -6.791 1.00 0.00 C ATOM 160 CD LYS A 11 -10.038 17.326 -7.395 1.00 0.00 C ATOM 161 CE LYS A 11 -9.834 17.205 -8.909 1.00 0.00 C ATOM 162 NZ LYS A 11 -8.688 16.280 -9.097 1.00 0.00 N ATOM 0 H LYS A 11 -8.610 14.641 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.256 17.545 -4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.187 15.170 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.556 16.868 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.773 15.197 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.435 15.645 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.769 18.106 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.104 17.627 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.731 16.818 -9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.626 18.178 -9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.329 16.365 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.932 16.523 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.000 15.302 -8.928 1.00 0.00 H new ATOM 176 N GLY A 12 -8.739 16.588 -2.134 1.00 0.00 N ATOM 177 CA GLY A 12 -8.879 16.460 -0.628 1.00 0.00 C ATOM 178 C GLY A 12 -7.923 15.552 0.152 1.00 0.00 C ATOM 179 O GLY A 12 -7.383 15.992 1.145 1.00 0.00 O ATOM 0 H GLY A 12 -7.818 16.881 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.792 17.462 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.893 16.116 -0.424 1.00 0.00 H new ATOM 183 N LEU A 13 -7.704 14.330 -0.266 1.00 0.00 N ATOM 184 CA LEU A 13 -6.765 13.450 0.526 1.00 0.00 C ATOM 185 C LEU A 13 -5.490 12.929 -0.183 1.00 0.00 C ATOM 186 O LEU A 13 -5.375 12.887 -1.392 1.00 0.00 O ATOM 187 CB LEU A 13 -7.567 12.209 1.053 1.00 0.00 C ATOM 188 CG LEU A 13 -8.606 12.559 2.141 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.892 13.098 1.516 1.00 0.00 C ATOM 190 CD2 LEU A 13 -8.975 11.269 2.873 1.00 0.00 C ATOM 0 H LEU A 13 -8.117 13.905 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.390 14.110 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.077 11.734 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.865 11.478 1.455 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.177 13.310 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.607 13.337 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.669 13.998 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.319 12.344 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.709 11.488 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.397 10.557 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.082 10.841 3.329 1.00 0.00 H new ATOM 202 N LEU A 14 -4.570 12.543 0.654 1.00 0.00 N ATOM 203 CA LEU A 14 -3.246 11.983 0.232 1.00 0.00 C ATOM 204 C LEU A 14 -3.280 10.484 0.603 1.00 0.00 C ATOM 205 O LEU A 14 -2.537 10.006 1.429 1.00 0.00 O ATOM 206 CB LEU A 14 -2.121 12.722 1.001 1.00 0.00 C ATOM 207 CG LEU A 14 -2.021 14.191 0.590 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.945 14.835 1.458 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.517 14.275 -0.850 1.00 0.00 C ATOM 0 H LEU A 14 -4.685 12.594 1.666 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.057 12.109 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.310 12.657 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.168 12.227 0.815 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.992 14.675 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.845 15.887 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.226 14.751 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.006 14.328 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.443 15.321 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.535 13.808 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.213 13.757 -1.510 1.00 0.00 H new ATOM 221 N VAL A 15 -4.171 9.779 -0.026 1.00 0.00 N ATOM 222 CA VAL A 15 -4.332 8.306 0.228 1.00 0.00 C ATOM 223 C VAL A 15 -3.932 7.446 -1.014 1.00 0.00 C ATOM 224 O VAL A 15 -3.127 7.858 -1.826 1.00 0.00 O ATOM 225 CB VAL A 15 -5.835 8.159 0.669 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.801 8.159 -0.525 1.00 0.00 C ATOM 227 CG2 VAL A 15 -6.091 6.932 1.567 1.00 0.00 C ATOM 0 H VAL A 15 -4.812 10.160 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.663 7.926 1.000 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.038 9.046 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.825 8.055 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.702 9.096 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.563 7.326 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.147 6.891 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.817 6.024 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.490 7.012 2.473 1.00 0.00 H new ATOM 237 N PHE A 16 -4.502 6.283 -1.088 1.00 0.00 N ATOM 238 CA PHE A 16 -4.281 5.288 -2.186 1.00 0.00 C ATOM 239 C PHE A 16 -5.649 4.857 -2.751 1.00 0.00 C ATOM 240 O PHE A 16 -6.361 4.120 -2.097 1.00 0.00 O ATOM 241 CB PHE A 16 -3.520 4.074 -1.592 1.00 0.00 C ATOM 242 CG PHE A 16 -2.022 4.229 -1.823 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.450 3.771 -2.990 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.235 4.832 -0.877 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.098 3.916 -3.206 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.117 4.980 -1.088 1.00 0.00 C ATOM 247 CZ PHE A 16 0.681 4.523 -2.250 1.00 0.00 C ATOM 0 H PHE A 16 -5.161 5.954 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.692 5.718 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.725 3.994 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.873 3.152 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.066 3.296 -3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.678 5.193 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.348 3.555 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.732 5.456 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.742 4.640 -2.415 1.00 0.00 H new ATOM 257 N GLU A 17 -6.005 5.288 -3.920 1.00 0.00 N ATOM 258 CA GLU A 17 -7.322 4.904 -4.523 1.00 0.00 C ATOM 259 C GLU A 17 -7.198 3.876 -5.706 1.00 0.00 C ATOM 260 O GLU A 17 -6.362 4.008 -6.579 1.00 0.00 O ATOM 261 CB GLU A 17 -8.031 6.237 -4.978 1.00 0.00 C ATOM 262 CG GLU A 17 -7.019 7.404 -5.322 1.00 0.00 C ATOM 263 CD GLU A 17 -6.545 8.167 -4.087 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.352 8.870 -3.515 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.390 8.040 -3.748 1.00 0.00 O ATOM 0 H GLU A 17 -5.435 5.902 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.917 4.380 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.647 6.031 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.703 6.570 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.154 6.987 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.497 8.100 -6.011 1.00 0.00 H new ATOM 272 N PRO A 18 -8.029 2.848 -5.716 1.00 0.00 N ATOM 273 CA PRO A 18 -9.086 2.535 -4.688 1.00 0.00 C ATOM 274 C PRO A 18 -8.604 1.743 -3.423 1.00 0.00 C ATOM 275 O PRO A 18 -9.350 0.972 -2.859 1.00 0.00 O ATOM 276 CB PRO A 18 -10.110 1.786 -5.527 1.00 0.00 C ATOM 277 CG PRO A 18 -9.189 0.903 -6.422 1.00 0.00 C ATOM 278 CD PRO A 18 -8.020 1.843 -6.821 1.00 0.00 C ATOM 0 HA PRO A 18 -9.467 3.433 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.784 1.187 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.731 2.461 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.828 0.029 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.721 0.537 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.071 1.310 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.185 2.306 -7.794 1.00 0.00 H new ATOM 286 N ALA A 19 -7.384 1.962 -3.018 1.00 0.00 N ATOM 287 CA ALA A 19 -6.727 1.305 -1.824 1.00 0.00 C ATOM 288 C ALA A 19 -6.508 -0.234 -1.895 1.00 0.00 C ATOM 289 O ALA A 19 -5.402 -0.720 -1.737 1.00 0.00 O ATOM 290 CB ALA A 19 -7.587 1.698 -0.583 1.00 0.00 C ATOM 0 H ALA A 19 -6.765 2.616 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.702 1.672 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.158 1.250 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.598 2.783 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.606 1.336 -0.718 1.00 0.00 H new ATOM 296 N LYS A 20 -7.576 -0.935 -2.133 1.00 0.00 N ATOM 297 CA LYS A 20 -7.582 -2.436 -2.235 1.00 0.00 C ATOM 298 C LYS A 20 -7.859 -2.971 -3.668 1.00 0.00 C ATOM 299 O LYS A 20 -8.964 -2.961 -4.166 1.00 0.00 O ATOM 300 CB LYS A 20 -8.651 -2.930 -1.204 1.00 0.00 C ATOM 301 CG LYS A 20 -7.986 -3.767 -0.066 1.00 0.00 C ATOM 302 CD LYS A 20 -7.907 -5.294 -0.427 1.00 0.00 C ATOM 303 CE LYS A 20 -7.180 -5.586 -1.738 1.00 0.00 C ATOM 304 NZ LYS A 20 -7.046 -7.059 -1.826 1.00 0.00 N ATOM 0 H LYS A 20 -8.496 -0.515 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.590 -2.827 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.170 -2.073 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.401 -3.534 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.982 -3.387 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.554 -3.641 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.402 -5.822 0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.919 -5.695 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.741 -5.196 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.202 -5.106 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.194 -7.298 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.966 -7.458 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.883 -7.456 -2.298 1.00 0.00 H new ATOM 318 N LEU A 21 -6.827 -3.450 -4.295 1.00 0.00 N ATOM 319 CA LEU A 21 -6.933 -4.001 -5.697 1.00 0.00 C ATOM 320 C LEU A 21 -6.718 -5.533 -5.782 1.00 0.00 C ATOM 321 O LEU A 21 -5.784 -6.039 -5.206 1.00 0.00 O ATOM 322 CB LEU A 21 -5.855 -3.314 -6.562 1.00 0.00 C ATOM 323 CG LEU A 21 -6.058 -3.449 -8.129 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.708 -3.261 -8.817 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.656 -4.780 -8.636 1.00 0.00 C ATOM 0 H LEU A 21 -5.888 -3.490 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.946 -3.801 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.827 -2.255 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.882 -3.731 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.792 -2.682 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.834 -3.352 -9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.313 -2.273 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.012 -4.024 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.745 -4.749 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.004 -5.605 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.642 -4.927 -8.195 1.00 0.00 H new ATOM 337 N THR A 22 -7.551 -6.255 -6.461 1.00 0.00 N ATOM 338 CA THR A 22 -7.350 -7.750 -6.587 1.00 0.00 C ATOM 339 C THR A 22 -6.973 -7.972 -8.068 1.00 0.00 C ATOM 340 O THR A 22 -7.817 -8.040 -8.938 1.00 0.00 O ATOM 341 CB THR A 22 -8.644 -8.498 -6.234 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.680 -8.432 -4.809 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.480 -10.000 -6.425 1.00 0.00 C ATOM 0 H THR A 22 -8.372 -5.890 -6.943 1.00 0.00 H new ATOM 0 HA THR A 22 -6.583 -8.124 -5.909 1.00 0.00 H new ATOM 0 HB THR A 22 -9.474 -8.091 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.483 -8.888 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.412 -10.503 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.230 -10.209 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.681 -10.364 -5.779 1.00 0.00 H new ATOM 351 N ILE A 23 -5.693 -8.058 -8.310 1.00 0.00 N ATOM 352 CA ILE A 23 -5.111 -8.262 -9.677 1.00 0.00 C ATOM 353 C ILE A 23 -4.891 -9.732 -10.028 1.00 0.00 C ATOM 354 O ILE A 23 -5.540 -10.619 -9.516 1.00 0.00 O ATOM 355 CB ILE A 23 -3.726 -7.534 -9.801 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.707 -8.139 -8.814 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.899 -6.081 -9.554 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.328 -8.082 -9.495 1.00 0.00 C ATOM 0 H ILE A 23 -4.987 -7.992 -7.577 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.844 -7.846 -10.369 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.340 -7.674 -10.811 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.698 -7.579 -7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.973 -9.167 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.935 -5.580 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.591 -5.667 -10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.298 -5.927 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.575 -8.502 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.355 -8.658 -10.420 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.076 -7.046 -9.720 1.00 0.00 H new ATOM 370 N LYS A 24 -3.960 -9.968 -10.909 1.00 0.00 N ATOM 371 CA LYS A 24 -3.669 -11.364 -11.317 1.00 0.00 C ATOM 372 C LYS A 24 -2.285 -11.848 -10.769 1.00 0.00 C ATOM 373 O LYS A 24 -1.526 -11.021 -10.305 1.00 0.00 O ATOM 374 CB LYS A 24 -3.716 -11.414 -12.881 1.00 0.00 C ATOM 375 CG LYS A 24 -5.107 -10.928 -13.380 1.00 0.00 C ATOM 376 CD LYS A 24 -5.105 -9.370 -13.576 1.00 0.00 C ATOM 377 CE LYS A 24 -4.832 -8.999 -15.026 1.00 0.00 C ATOM 378 NZ LYS A 24 -4.876 -7.520 -15.090 1.00 0.00 N ATOM 0 H LYS A 24 -3.390 -9.254 -11.362 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.412 -12.041 -10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.929 -10.785 -13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.529 -12.430 -13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.355 -11.419 -14.321 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.877 -11.209 -12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.067 -8.961 -13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.347 -8.921 -12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.860 -9.374 -15.347 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.578 -9.440 -15.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.166 -7.181 -15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.822 -7.214 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.671 -7.126 -14.150 1.00 0.00 H new ATOM 392 N PRO A 25 -1.976 -13.124 -10.811 1.00 0.00 N ATOM 393 CA PRO A 25 -0.562 -13.658 -10.721 1.00 0.00 C ATOM 394 C PRO A 25 0.558 -12.944 -11.551 1.00 0.00 C ATOM 395 O PRO A 25 1.221 -13.572 -12.352 1.00 0.00 O ATOM 396 CB PRO A 25 -0.751 -15.162 -11.094 1.00 0.00 C ATOM 397 CG PRO A 25 -2.119 -15.192 -11.825 1.00 0.00 C ATOM 398 CD PRO A 25 -2.942 -14.252 -10.959 1.00 0.00 C ATOM 0 HA PRO A 25 -0.154 -13.472 -9.727 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.054 -15.519 -11.736 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.757 -15.796 -10.208 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.043 -14.841 -12.854 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.544 -16.195 -11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.870 -13.945 -11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.213 -14.697 -10.002 1.00 0.00 H new ATOM 406 N GLY A 26 0.770 -11.664 -11.363 1.00 0.00 N ATOM 407 CA GLY A 26 1.845 -10.934 -12.151 1.00 0.00 C ATOM 408 C GLY A 26 1.254 -9.952 -13.168 1.00 0.00 C ATOM 409 O GLY A 26 1.366 -10.140 -14.360 1.00 0.00 O ATOM 0 H GLY A 26 0.253 -11.084 -10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.494 -10.393 -11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.468 -11.661 -12.671 1.00 0.00 H new ATOM 413 N ASP A 27 0.641 -8.911 -12.684 1.00 0.00 N ATOM 414 CA ASP A 27 0.031 -7.907 -13.611 1.00 0.00 C ATOM 415 C ASP A 27 0.923 -6.637 -13.831 1.00 0.00 C ATOM 416 O ASP A 27 2.079 -6.595 -13.474 1.00 0.00 O ATOM 417 CB ASP A 27 -1.370 -7.601 -12.977 1.00 0.00 C ATOM 418 CG ASP A 27 -2.325 -6.923 -13.913 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.108 -6.898 -15.108 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.289 -6.433 -13.381 1.00 0.00 O ATOM 0 H ASP A 27 0.533 -8.708 -11.690 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.065 -8.291 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.814 -8.535 -12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.230 -6.972 -12.098 1.00 0.00 H new ATOM 425 N THR A 28 0.318 -5.648 -14.419 1.00 0.00 N ATOM 426 CA THR A 28 0.911 -4.304 -14.777 1.00 0.00 C ATOM 427 C THR A 28 0.554 -3.207 -13.782 1.00 0.00 C ATOM 428 O THR A 28 0.225 -2.086 -14.105 1.00 0.00 O ATOM 429 CB THR A 28 0.375 -3.922 -16.079 1.00 0.00 C ATOM 430 OG1 THR A 28 0.624 -5.023 -16.924 1.00 0.00 O ATOM 431 CG2 THR A 28 1.171 -2.839 -16.742 1.00 0.00 C ATOM 0 H THR A 28 -0.661 -5.717 -14.696 1.00 0.00 H new ATOM 0 HA THR A 28 1.996 -4.406 -14.774 1.00 0.00 H new ATOM 0 HB THR A 28 -0.661 -3.614 -15.935 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.549 -5.324 -16.805 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.724 -2.597 -17.706 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.173 -1.951 -16.110 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.195 -3.180 -16.892 1.00 0.00 H new ATOM 439 N VAL A 29 0.640 -3.608 -12.572 1.00 0.00 N ATOM 440 CA VAL A 29 0.334 -2.749 -11.358 1.00 0.00 C ATOM 441 C VAL A 29 0.899 -1.310 -11.457 1.00 0.00 C ATOM 442 O VAL A 29 2.083 -1.088 -11.319 1.00 0.00 O ATOM 443 CB VAL A 29 0.901 -3.411 -10.099 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.269 -2.726 -8.876 1.00 0.00 C ATOM 445 CG2 VAL A 29 0.522 -4.893 -10.077 1.00 0.00 C ATOM 0 H VAL A 29 0.927 -4.556 -12.328 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.752 -2.669 -11.310 1.00 0.00 H new ATOM 0 HB VAL A 29 1.987 -3.315 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.657 -3.180 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.515 -1.664 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.814 -2.848 -8.910 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.928 -5.359 -9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.564 -4.991 -10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.931 -5.386 -10.959 1.00 0.00 H new ATOM 455 N GLU A 30 0.030 -0.363 -11.692 1.00 0.00 N ATOM 456 CA GLU A 30 0.484 1.048 -11.801 1.00 0.00 C ATOM 457 C GLU A 30 0.218 1.878 -10.536 1.00 0.00 C ATOM 458 O GLU A 30 -0.806 1.800 -9.884 1.00 0.00 O ATOM 459 CB GLU A 30 -0.216 1.734 -13.019 1.00 0.00 C ATOM 460 CG GLU A 30 0.068 3.308 -12.976 1.00 0.00 C ATOM 461 CD GLU A 30 -0.636 4.125 -14.041 1.00 0.00 C ATOM 462 OE1 GLU A 30 -0.742 3.649 -15.142 1.00 0.00 O ATOM 463 OE2 GLU A 30 -1.039 5.207 -13.656 1.00 0.00 O ATOM 0 H GLU A 30 -0.972 -0.508 -11.813 1.00 0.00 H new ATOM 0 HA GLU A 30 1.565 1.013 -11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.156 1.311 -13.952 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.289 1.546 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.227 3.687 -11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.142 3.469 -13.069 1.00 0.00 H new ATOM 470 N PHE A 31 1.216 2.660 -10.258 1.00 0.00 N ATOM 471 CA PHE A 31 1.226 3.582 -9.084 1.00 0.00 C ATOM 472 C PHE A 31 1.260 5.069 -9.518 1.00 0.00 C ATOM 473 O PHE A 31 2.328 5.614 -9.733 1.00 0.00 O ATOM 474 CB PHE A 31 2.465 3.245 -8.225 1.00 0.00 C ATOM 475 CG PHE A 31 2.387 1.827 -7.647 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.592 0.713 -8.435 1.00 0.00 C ATOM 477 CD2 PHE A 31 2.107 1.655 -6.309 1.00 0.00 C ATOM 478 CE1 PHE A 31 2.521 -0.551 -7.891 1.00 0.00 C ATOM 479 CE2 PHE A 31 2.034 0.391 -5.760 1.00 0.00 C ATOM 480 CZ PHE A 31 2.240 -0.712 -6.552 1.00 0.00 C ATOM 0 H PHE A 31 2.066 2.702 -10.820 1.00 0.00 H new ATOM 0 HA PHE A 31 0.309 3.443 -8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.365 3.341 -8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.550 3.965 -7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.810 0.833 -9.486 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.943 2.519 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.686 -1.417 -8.515 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.815 0.269 -4.709 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.182 -1.703 -6.126 1.00 0.00 H new ATOM 490 N LEU A 32 0.131 5.706 -9.667 1.00 0.00 N ATOM 491 CA LEU A 32 0.176 7.149 -10.078 1.00 0.00 C ATOM 492 C LEU A 32 0.415 8.131 -8.893 1.00 0.00 C ATOM 493 O LEU A 32 -0.476 8.434 -8.120 1.00 0.00 O ATOM 494 CB LEU A 32 -1.146 7.467 -10.805 1.00 0.00 C ATOM 495 CG LEU A 32 -1.056 8.873 -11.489 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.924 8.909 -12.742 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.636 9.959 -10.575 1.00 0.00 C ATOM 0 H LEU A 32 -0.798 5.309 -9.528 1.00 0.00 H new ATOM 0 HA LEU A 32 1.033 7.294 -10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.352 6.702 -11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.974 7.451 -10.096 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.003 9.047 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.851 9.892 -13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.581 8.149 -13.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.961 8.711 -12.472 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.563 10.928 -11.070 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.682 9.737 -10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.075 9.986 -9.641 1.00 0.00 H new ATOM 509 N ASN A 33 1.647 8.554 -8.831 1.00 0.00 N ATOM 510 CA ASN A 33 2.190 9.514 -7.805 1.00 0.00 C ATOM 511 C ASN A 33 1.610 10.952 -7.973 1.00 0.00 C ATOM 512 O ASN A 33 2.159 11.759 -8.700 1.00 0.00 O ATOM 513 CB ASN A 33 3.744 9.479 -7.974 1.00 0.00 C ATOM 514 CG ASN A 33 4.345 8.284 -7.268 1.00 0.00 C ATOM 515 OD1 ASN A 33 5.381 8.431 -6.518 1.00 0.00 O flip ATOM 516 ND2 ASN A 33 3.909 7.164 -7.360 1.00 0.00 N flip ATOM 0 H ASN A 33 2.356 8.252 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 33 1.896 9.219 -6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.996 9.443 -9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.177 10.396 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.089 6.982 -7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.360 6.399 -6.859 1.00 0.00 H new ATOM 523 N ASN A 34 0.528 11.241 -7.298 1.00 0.00 N ATOM 524 CA ASN A 34 -0.106 12.602 -7.406 1.00 0.00 C ATOM 525 C ASN A 34 0.195 13.542 -6.189 1.00 0.00 C ATOM 526 O ASN A 34 1.256 13.429 -5.612 1.00 0.00 O ATOM 527 CB ASN A 34 -1.608 12.294 -7.602 1.00 0.00 C ATOM 528 CG ASN A 34 -2.298 13.527 -8.103 1.00 0.00 C ATOM 529 OD1 ASN A 34 -1.875 14.163 -9.034 1.00 0.00 O ATOM 530 ND2 ASN A 34 -3.365 13.937 -7.538 1.00 0.00 N ATOM 0 H ASN A 34 0.049 10.594 -6.672 1.00 0.00 H new ATOM 0 HA ASN A 34 0.305 13.180 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.735 11.477 -8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.052 11.970 -6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.831 14.778 -7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.753 13.424 -6.746 1.00 0.00 H new ATOM 537 N LYS A 35 -0.699 14.444 -5.844 1.00 0.00 N ATOM 538 CA LYS A 35 -0.519 15.406 -4.679 1.00 0.00 C ATOM 539 C LYS A 35 0.581 15.057 -3.607 1.00 0.00 C ATOM 540 O LYS A 35 0.720 13.925 -3.198 1.00 0.00 O ATOM 541 CB LYS A 35 -1.900 15.546 -3.971 1.00 0.00 C ATOM 542 CG LYS A 35 -2.995 16.288 -4.793 1.00 0.00 C ATOM 543 CD LYS A 35 -2.610 17.795 -5.034 1.00 0.00 C ATOM 544 CE LYS A 35 -3.837 18.693 -5.357 1.00 0.00 C ATOM 545 NZ LYS A 35 -4.547 18.085 -6.503 1.00 0.00 N ATOM 0 H LYS A 35 -1.584 14.564 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.149 16.329 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.266 14.549 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.755 16.075 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.133 15.788 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.947 16.234 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.107 18.182 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.897 17.855 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.497 18.765 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.517 19.706 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.629 18.783 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.015 17.259 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.497 17.786 -6.204 1.00 0.00 H new ATOM 559 N VAL A 36 1.302 16.057 -3.176 1.00 0.00 N ATOM 560 CA VAL A 36 2.412 15.901 -2.147 1.00 0.00 C ATOM 561 C VAL A 36 3.264 14.577 -2.237 1.00 0.00 C ATOM 562 O VAL A 36 3.204 13.700 -1.397 1.00 0.00 O ATOM 563 CB VAL A 36 1.745 16.039 -0.738 1.00 0.00 C ATOM 564 CG1 VAL A 36 2.824 16.126 0.362 1.00 0.00 C ATOM 565 CG2 VAL A 36 0.925 17.339 -0.652 1.00 0.00 C ATOM 0 H VAL A 36 1.174 17.016 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 36 3.149 16.678 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 36 1.108 15.166 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.344 16.222 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.434 15.223 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.457 16.995 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.469 17.417 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.580 18.194 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.144 17.328 -1.412 1.00 0.00 H new ATOM 575 N PRO A 37 4.048 14.468 -3.292 1.00 0.00 N ATOM 576 CA PRO A 37 5.271 13.596 -3.315 1.00 0.00 C ATOM 577 C PRO A 37 6.202 13.632 -2.045 1.00 0.00 C ATOM 578 O PRO A 37 5.948 14.334 -1.087 1.00 0.00 O ATOM 579 CB PRO A 37 5.963 14.046 -4.649 1.00 0.00 C ATOM 580 CG PRO A 37 5.317 15.426 -4.953 1.00 0.00 C ATOM 581 CD PRO A 37 3.859 15.182 -4.585 1.00 0.00 C ATOM 0 HA PRO A 37 5.012 12.538 -3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.044 14.127 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.782 13.333 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.760 16.224 -4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.432 15.708 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.295 16.108 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.336 14.577 -5.325 1.00 0.00 H new ATOM 589 N PRO A 38 7.274 12.865 -2.033 1.00 0.00 N ATOM 590 CA PRO A 38 7.671 11.816 -3.025 1.00 0.00 C ATOM 591 C PRO A 38 7.282 10.377 -2.614 1.00 0.00 C ATOM 592 O PRO A 38 7.987 9.608 -1.996 1.00 0.00 O ATOM 593 CB PRO A 38 9.117 12.064 -3.120 1.00 0.00 C ATOM 594 CG PRO A 38 9.538 12.307 -1.636 1.00 0.00 C ATOM 595 CD PRO A 38 8.309 12.989 -0.969 1.00 0.00 C ATOM 0 HA PRO A 38 7.154 11.884 -3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.643 11.214 -3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.337 12.928 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.786 11.369 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.421 12.943 -1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.012 12.485 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.508 14.029 -0.712 1.00 0.00 H new ATOM 603 N HIS A 39 6.098 10.076 -3.016 1.00 0.00 N ATOM 604 CA HIS A 39 5.473 8.737 -2.738 1.00 0.00 C ATOM 605 C HIS A 39 6.291 7.484 -3.167 1.00 0.00 C ATOM 606 O HIS A 39 6.000 6.888 -4.186 1.00 0.00 O ATOM 607 CB HIS A 39 4.081 8.671 -3.438 1.00 0.00 C ATOM 608 CG HIS A 39 3.215 9.914 -3.257 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.657 10.270 -2.112 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.896 10.826 -4.242 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.008 11.388 -2.398 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.159 11.693 -3.635 1.00 0.00 N ATOM 0 H HIS A 39 5.502 10.712 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 39 5.415 8.685 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.234 8.504 -4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.538 7.808 -3.054 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.714 9.792 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.194 10.816 -5.280 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.432 11.963 -1.689 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.750 12.514 -4.080 1.00 0.00 H new ATOM 620 N ASN A 40 7.291 7.087 -2.431 1.00 0.00 N ATOM 621 CA ASN A 40 8.070 5.877 -2.834 1.00 0.00 C ATOM 622 C ASN A 40 7.387 4.722 -2.075 1.00 0.00 C ATOM 623 O ASN A 40 7.409 4.711 -0.861 1.00 0.00 O ATOM 624 CB ASN A 40 9.535 6.063 -2.383 1.00 0.00 C ATOM 625 CG ASN A 40 10.324 4.866 -2.809 1.00 0.00 C ATOM 626 OD1 ASN A 40 10.134 3.764 -2.357 1.00 0.00 O ATOM 627 ND2 ASN A 40 11.239 4.978 -3.695 1.00 0.00 N ATOM 0 H ASN A 40 7.603 7.542 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 40 8.086 5.693 -3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.954 6.968 -2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.585 6.183 -1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.769 4.157 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.439 5.888 -4.109 1.00 0.00 H new ATOM 634 N VAL A 41 6.788 3.787 -2.760 1.00 0.00 N ATOM 635 CA VAL A 41 6.140 2.691 -1.976 1.00 0.00 C ATOM 636 C VAL A 41 7.042 1.482 -1.852 1.00 0.00 C ATOM 637 O VAL A 41 7.546 0.889 -2.792 1.00 0.00 O ATOM 638 CB VAL A 41 4.828 2.219 -2.607 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.785 3.317 -2.479 1.00 0.00 C ATOM 640 CG2 VAL A 41 4.963 1.922 -4.095 1.00 0.00 C ATOM 0 H VAL A 41 6.718 3.729 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 41 5.942 3.121 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 41 4.545 1.306 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.849 2.984 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.622 3.543 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.135 4.213 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.002 1.591 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.279 2.824 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.705 1.138 -4.244 1.00 0.00 H new ATOM 650 N VAL A 42 7.208 1.153 -0.620 1.00 0.00 N ATOM 651 CA VAL A 42 8.061 -0.003 -0.285 1.00 0.00 C ATOM 652 C VAL A 42 7.241 -1.305 -0.414 1.00 0.00 C ATOM 653 O VAL A 42 6.099 -1.374 -0.009 1.00 0.00 O ATOM 654 CB VAL A 42 8.563 0.282 1.131 1.00 0.00 C ATOM 655 CG1 VAL A 42 9.565 -0.763 1.594 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.270 1.666 1.164 1.00 0.00 C ATOM 0 H VAL A 42 6.790 1.634 0.176 1.00 0.00 H new ATOM 0 HA VAL A 42 8.910 -0.141 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 42 7.697 0.264 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.898 -0.525 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.094 -1.746 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.423 -0.768 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.627 1.868 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.114 1.660 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.565 2.442 0.867 1.00 0.00 H new ATOM 666 N PHE A 43 7.857 -2.303 -0.975 1.00 0.00 N ATOM 667 CA PHE A 43 7.200 -3.650 -1.182 1.00 0.00 C ATOM 668 C PHE A 43 7.741 -4.638 -0.133 1.00 0.00 C ATOM 669 O PHE A 43 8.514 -5.522 -0.430 1.00 0.00 O ATOM 670 CB PHE A 43 7.497 -4.187 -2.612 1.00 0.00 C ATOM 671 CG PHE A 43 6.536 -3.671 -3.699 1.00 0.00 C ATOM 672 CD1 PHE A 43 6.301 -2.325 -3.903 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.898 -4.582 -4.521 1.00 0.00 C ATOM 674 CE1 PHE A 43 5.455 -1.904 -4.907 1.00 0.00 C ATOM 675 CE2 PHE A 43 5.053 -4.163 -5.523 1.00 0.00 C ATOM 676 CZ PHE A 43 4.832 -2.822 -5.716 1.00 0.00 C ATOM 0 H PHE A 43 8.818 -2.253 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 43 6.121 -3.543 -1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.516 -3.913 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.454 -5.276 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.785 -1.596 -3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.066 -5.639 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.282 -0.849 -5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.564 -4.888 -6.157 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.170 -2.490 -6.502 1.00 0.00 H new ATOM 686 N ASP A 44 7.306 -4.406 1.067 1.00 0.00 N ATOM 687 CA ASP A 44 7.679 -5.211 2.265 1.00 0.00 C ATOM 688 C ASP A 44 8.130 -6.719 2.120 1.00 0.00 C ATOM 689 O ASP A 44 7.692 -7.507 1.299 1.00 0.00 O ATOM 690 CB ASP A 44 6.456 -5.025 3.182 1.00 0.00 C ATOM 691 CG ASP A 44 6.937 -5.168 4.592 1.00 0.00 C ATOM 692 OD1 ASP A 44 7.034 -6.300 5.000 1.00 0.00 O ATOM 693 OD2 ASP A 44 7.191 -4.127 5.144 1.00 0.00 O ATOM 0 H ASP A 44 6.665 -3.642 1.281 1.00 0.00 H new ATOM 0 HA ASP A 44 8.633 -4.842 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.004 -4.045 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.691 -5.768 2.959 1.00 0.00 H new ATOM 698 N ALA A 45 9.017 -7.084 3.002 1.00 0.00 N ATOM 699 CA ALA A 45 9.593 -8.460 3.044 1.00 0.00 C ATOM 700 C ALA A 45 8.883 -9.434 4.031 1.00 0.00 C ATOM 701 O ALA A 45 9.062 -10.635 3.987 1.00 0.00 O ATOM 702 CB ALA A 45 11.090 -8.264 3.384 1.00 0.00 C ATOM 0 H ALA A 45 9.381 -6.461 3.723 1.00 0.00 H new ATOM 0 HA ALA A 45 9.447 -8.953 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.582 -9.235 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.562 -7.656 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.182 -7.762 4.347 1.00 0.00 H new ATOM 708 N ALA A 46 8.084 -8.880 4.888 1.00 0.00 N ATOM 709 CA ALA A 46 7.316 -9.646 5.917 1.00 0.00 C ATOM 710 C ALA A 46 5.803 -9.707 5.557 1.00 0.00 C ATOM 711 O ALA A 46 5.173 -10.755 5.619 1.00 0.00 O ATOM 712 CB ALA A 46 7.591 -8.918 7.249 1.00 0.00 C ATOM 0 H ALA A 46 7.920 -7.874 4.923 1.00 0.00 H new ATOM 0 HA ALA A 46 7.625 -10.689 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.060 -9.423 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.661 -8.930 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.247 -7.886 7.178 1.00 0.00 H new ATOM 718 N LEU A 47 5.277 -8.575 5.180 1.00 0.00 N ATOM 719 CA LEU A 47 3.829 -8.420 4.792 1.00 0.00 C ATOM 720 C LEU A 47 3.458 -8.948 3.370 1.00 0.00 C ATOM 721 O LEU A 47 2.726 -8.352 2.600 1.00 0.00 O ATOM 722 CB LEU A 47 3.496 -6.894 4.941 1.00 0.00 C ATOM 723 CG LEU A 47 3.229 -6.422 6.393 1.00 0.00 C ATOM 724 CD1 LEU A 47 1.950 -7.083 6.922 1.00 0.00 C ATOM 725 CD2 LEU A 47 4.388 -6.798 7.311 1.00 0.00 C ATOM 0 H LEU A 47 5.810 -7.707 5.120 1.00 0.00 H new ATOM 0 HA LEU A 47 3.227 -9.047 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.324 -6.315 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.619 -6.668 4.334 1.00 0.00 H new ATOM 0 HG LEU A 47 3.121 -5.337 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.764 -6.750 7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.107 -6.803 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.069 -8.166 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.176 -6.456 8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.514 -7.881 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.303 -6.327 6.953 1.00 0.00 H new ATOM 737 N ASN A 48 4.005 -10.092 3.069 1.00 0.00 N ATOM 738 CA ASN A 48 3.766 -10.781 1.757 1.00 0.00 C ATOM 739 C ASN A 48 3.562 -12.307 2.057 1.00 0.00 C ATOM 740 O ASN A 48 3.874 -12.744 3.153 1.00 0.00 O ATOM 741 CB ASN A 48 5.016 -10.471 0.844 1.00 0.00 C ATOM 742 CG ASN A 48 6.294 -11.115 1.337 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.379 -12.306 1.519 1.00 0.00 O ATOM 744 ND2 ASN A 48 7.336 -10.405 1.570 1.00 0.00 N ATOM 0 H ASN A 48 4.630 -10.599 3.696 1.00 0.00 H new ATOM 0 HA ASN A 48 2.876 -10.437 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.811 -10.816 -0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.159 -9.392 0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.194 -10.850 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.307 -9.395 1.429 1.00 0.00 H new ATOM 751 N PRO A 49 3.053 -13.096 1.140 1.00 0.00 N ATOM 752 CA PRO A 49 2.878 -14.575 1.356 1.00 0.00 C ATOM 753 C PRO A 49 4.021 -15.354 2.080 1.00 0.00 C ATOM 754 O PRO A 49 3.928 -15.697 3.250 1.00 0.00 O ATOM 755 CB PRO A 49 2.582 -15.082 -0.085 1.00 0.00 C ATOM 756 CG PRO A 49 3.076 -13.915 -0.989 1.00 0.00 C ATOM 757 CD PRO A 49 2.601 -12.690 -0.218 1.00 0.00 C ATOM 0 HA PRO A 49 2.088 -14.765 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.112 -16.009 -0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.520 -15.281 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.159 -13.925 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.642 -13.961 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.068 -11.767 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.523 -12.544 -0.279 1.00 0.00 H new ATOM 765 N ALA A 50 5.077 -15.579 1.350 1.00 0.00 N ATOM 766 CA ALA A 50 6.283 -16.321 1.852 1.00 0.00 C ATOM 767 C ALA A 50 7.471 -15.425 2.306 1.00 0.00 C ATOM 768 O ALA A 50 8.603 -15.645 1.932 1.00 0.00 O ATOM 769 CB ALA A 50 6.684 -17.269 0.696 1.00 0.00 C ATOM 0 H ALA A 50 5.162 -15.267 0.383 1.00 0.00 H new ATOM 0 HA ALA A 50 6.027 -16.852 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.561 -17.847 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.858 -17.946 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.916 -16.682 -0.192 1.00 0.00 H new ATOM 775 N LYS A 51 7.127 -14.452 3.103 1.00 0.00 N ATOM 776 CA LYS A 51 8.100 -13.455 3.683 1.00 0.00 C ATOM 777 C LYS A 51 9.529 -13.431 3.064 1.00 0.00 C ATOM 778 O LYS A 51 10.549 -13.653 3.689 1.00 0.00 O ATOM 779 CB LYS A 51 8.170 -13.707 5.261 1.00 0.00 C ATOM 780 CG LYS A 51 7.610 -15.082 5.773 1.00 0.00 C ATOM 781 CD LYS A 51 6.060 -15.237 5.567 1.00 0.00 C ATOM 782 CE LYS A 51 5.301 -13.943 5.853 1.00 0.00 C ATOM 783 NZ LYS A 51 3.885 -14.197 5.465 1.00 0.00 N ATOM 0 H LYS A 51 6.163 -14.293 3.396 1.00 0.00 H new ATOM 0 HA LYS A 51 7.711 -12.468 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.211 -13.624 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.622 -12.908 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.122 -15.891 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.841 -15.189 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.862 -15.552 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.687 -16.026 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.374 -13.674 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.718 -13.113 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.556 -13.437 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.819 -15.110 4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.290 -14.222 6.318 1.00 0.00 H new ATOM 797 N SER A 52 9.528 -13.139 1.795 1.00 0.00 N ATOM 798 CA SER A 52 10.823 -13.064 1.027 1.00 0.00 C ATOM 799 C SER A 52 11.255 -11.606 0.928 1.00 0.00 C ATOM 800 O SER A 52 10.422 -10.721 0.947 1.00 0.00 O ATOM 801 CB SER A 52 10.645 -13.599 -0.412 1.00 0.00 C ATOM 802 OG SER A 52 9.817 -12.640 -1.086 1.00 0.00 O ATOM 0 H SER A 52 8.690 -12.947 1.246 1.00 0.00 H new ATOM 0 HA SER A 52 11.565 -13.667 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.608 -13.704 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.179 -14.584 -0.408 1.00 0.00 H new ATOM 0 HG SER A 52 9.670 -12.928 -2.011 1.00 0.00 H new ATOM 808 N ALA A 53 12.526 -11.377 0.801 1.00 0.00 N ATOM 809 CA ALA A 53 13.025 -9.972 0.697 1.00 0.00 C ATOM 810 C ALA A 53 13.350 -9.709 -0.781 1.00 0.00 C ATOM 811 O ALA A 53 13.005 -8.731 -1.388 1.00 0.00 O ATOM 812 CB ALA A 53 14.272 -9.875 1.603 1.00 0.00 C ATOM 0 H ALA A 53 13.247 -12.098 0.764 1.00 0.00 H new ATOM 0 HA ALA A 53 12.300 -9.225 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.675 -8.863 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.995 -10.113 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.028 -10.581 1.259 1.00 0.00 H new ATOM 818 N ASP A 54 14.046 -10.636 -1.318 1.00 0.00 N ATOM 819 CA ASP A 54 14.533 -10.689 -2.739 1.00 0.00 C ATOM 820 C ASP A 54 13.565 -10.059 -3.800 1.00 0.00 C ATOM 821 O ASP A 54 13.907 -9.055 -4.407 1.00 0.00 O ATOM 822 CB ASP A 54 14.875 -12.208 -2.802 1.00 0.00 C ATOM 823 CG ASP A 54 15.744 -12.421 -1.563 1.00 0.00 C ATOM 824 OD1 ASP A 54 16.821 -11.850 -1.555 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.227 -13.083 -0.692 1.00 0.00 O ATOM 0 H ASP A 54 14.337 -11.455 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 54 15.380 -10.058 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.977 -12.825 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.409 -12.463 -3.717 1.00 0.00 H new ATOM 830 N LEU A 55 12.401 -10.612 -4.007 1.00 0.00 N ATOM 831 CA LEU A 55 11.459 -10.000 -5.020 1.00 0.00 C ATOM 832 C LEU A 55 11.003 -8.654 -4.406 1.00 0.00 C ATOM 833 O LEU A 55 11.141 -7.592 -4.991 1.00 0.00 O ATOM 834 CB LEU A 55 10.278 -11.000 -5.230 1.00 0.00 C ATOM 835 CG LEU A 55 9.190 -10.537 -6.253 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.403 -9.300 -5.785 1.00 0.00 C ATOM 837 CD2 LEU A 55 9.840 -10.195 -7.595 1.00 0.00 C ATOM 0 H LEU A 55 12.055 -11.447 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 55 11.907 -9.816 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.686 -11.954 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.798 -11.178 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 55 8.495 -11.371 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.665 -9.031 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.897 -9.525 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.090 -8.467 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.073 -9.874 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.563 -9.392 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.348 -11.076 -7.988 1.00 0.00 H new ATOM 849 N ALA A 56 10.464 -8.781 -3.223 1.00 0.00 N ATOM 850 CA ALA A 56 9.954 -7.624 -2.419 1.00 0.00 C ATOM 851 C ALA A 56 10.797 -6.329 -2.633 1.00 0.00 C ATOM 852 O ALA A 56 10.296 -5.295 -3.004 1.00 0.00 O ATOM 853 CB ALA A 56 9.948 -8.151 -0.953 1.00 0.00 C ATOM 0 H ALA A 56 10.350 -9.682 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 56 8.957 -7.305 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.587 -7.368 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.293 -9.019 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.960 -8.435 -0.664 1.00 0.00 H new ATOM 859 N LYS A 57 12.076 -6.395 -2.412 1.00 0.00 N ATOM 860 CA LYS A 57 12.990 -5.212 -2.587 1.00 0.00 C ATOM 861 C LYS A 57 13.047 -4.731 -4.041 1.00 0.00 C ATOM 862 O LYS A 57 12.908 -3.552 -4.323 1.00 0.00 O ATOM 863 CB LYS A 57 14.462 -5.591 -2.137 1.00 0.00 C ATOM 864 CG LYS A 57 14.583 -6.181 -0.701 1.00 0.00 C ATOM 865 CD LYS A 57 15.964 -6.950 -0.518 1.00 0.00 C ATOM 866 CE LYS A 57 16.104 -8.075 -1.580 1.00 0.00 C ATOM 867 NZ LYS A 57 17.042 -9.148 -1.075 1.00 0.00 N ATOM 0 H LYS A 57 12.551 -7.244 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 57 12.586 -4.410 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.867 -6.314 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.085 -4.699 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.509 -5.379 0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.754 -6.864 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.793 -6.248 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.019 -7.378 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.127 -8.507 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.482 -7.660 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.647 -10.085 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.968 -9.046 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.157 -9.052 -0.046 1.00 0.00 H new ATOM 881 N SER A 58 13.272 -5.656 -4.930 1.00 0.00 N ATOM 882 CA SER A 58 13.349 -5.328 -6.398 1.00 0.00 C ATOM 883 C SER A 58 12.174 -4.415 -6.756 1.00 0.00 C ATOM 884 O SER A 58 12.345 -3.335 -7.296 1.00 0.00 O ATOM 885 CB SER A 58 13.302 -6.644 -7.166 1.00 0.00 C ATOM 886 OG SER A 58 14.462 -7.289 -6.643 1.00 0.00 O ATOM 0 H SER A 58 13.409 -6.642 -4.708 1.00 0.00 H new ATOM 0 HA SER A 58 14.269 -4.803 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.390 -7.207 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.359 -6.497 -8.245 1.00 0.00 H new ATOM 0 HG SER A 58 14.194 -7.949 -5.970 1.00 0.00 H new ATOM 892 N LEU A 59 11.022 -4.907 -6.393 1.00 0.00 N ATOM 893 CA LEU A 59 9.726 -4.190 -6.635 1.00 0.00 C ATOM 894 C LEU A 59 9.612 -2.933 -5.732 1.00 0.00 C ATOM 895 O LEU A 59 9.233 -1.878 -6.196 1.00 0.00 O ATOM 896 CB LEU A 59 8.577 -5.201 -6.364 1.00 0.00 C ATOM 897 CG LEU A 59 8.298 -6.169 -7.548 1.00 0.00 C ATOM 898 CD1 LEU A 59 7.688 -5.383 -8.713 1.00 0.00 C ATOM 899 CD2 LEU A 59 9.590 -6.797 -8.064 1.00 0.00 C ATOM 0 H LEU A 59 10.917 -5.806 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 59 9.669 -3.833 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.823 -5.787 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.666 -4.648 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 59 7.624 -6.946 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.491 -6.059 -9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.754 -4.922 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.384 -4.608 -9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.363 -7.469 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.264 -6.012 -8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.067 -7.359 -7.261 1.00 0.00 H new ATOM 911 N SER A 60 9.940 -3.063 -4.469 1.00 0.00 N ATOM 912 CA SER A 60 9.885 -1.925 -3.482 1.00 0.00 C ATOM 913 C SER A 60 10.502 -0.676 -4.122 1.00 0.00 C ATOM 914 O SER A 60 11.705 -0.669 -4.290 1.00 0.00 O ATOM 915 CB SER A 60 10.673 -2.380 -2.259 1.00 0.00 C ATOM 916 OG SER A 60 10.501 -1.313 -1.347 1.00 0.00 O ATOM 0 H SER A 60 10.256 -3.943 -4.062 1.00 0.00 H new ATOM 0 HA SER A 60 8.865 -1.670 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.288 -3.318 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.725 -2.542 -2.495 1.00 0.00 H new ATOM 0 HG SER A 60 11.374 -1.042 -0.993 1.00 0.00 H new ATOM 922 N HIS A 61 9.736 0.326 -4.470 1.00 0.00 N ATOM 923 CA HIS A 61 10.307 1.567 -5.110 1.00 0.00 C ATOM 924 C HIS A 61 11.735 1.929 -4.596 1.00 0.00 C ATOM 925 O HIS A 61 12.622 2.074 -5.411 1.00 0.00 O ATOM 926 CB HIS A 61 9.244 2.684 -4.874 1.00 0.00 C ATOM 927 CG HIS A 61 8.027 2.417 -5.767 1.00 0.00 C ATOM 928 ND1 HIS A 61 7.161 3.312 -6.103 1.00 0.00 N ATOM 929 CD2 HIS A 61 7.574 1.266 -6.391 1.00 0.00 C ATOM 930 CE1 HIS A 61 6.250 2.782 -6.862 1.00 0.00 C ATOM 931 NE2 HIS A 61 6.470 1.510 -7.065 1.00 0.00 N ATOM 0 H HIS A 61 8.725 0.344 -4.339 1.00 0.00 H new ATOM 0 HA HIS A 61 10.478 1.419 -6.176 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.944 2.702 -3.826 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.669 3.662 -5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.059 0.303 -6.333 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.413 3.326 -7.275 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.915 0.857 -7.618 1.00 0.00 H new ATOM 939 N LYS A 62 11.877 2.057 -3.297 1.00 0.00 N ATOM 940 CA LYS A 62 13.143 2.382 -2.499 1.00 0.00 C ATOM 941 C LYS A 62 13.267 3.755 -1.787 1.00 0.00 C ATOM 942 O LYS A 62 13.041 3.813 -0.599 1.00 0.00 O ATOM 943 CB LYS A 62 14.426 2.192 -3.418 1.00 0.00 C ATOM 944 CG LYS A 62 14.570 0.661 -3.768 1.00 0.00 C ATOM 945 CD LYS A 62 15.123 0.454 -5.233 1.00 0.00 C ATOM 946 CE LYS A 62 14.917 -1.005 -5.715 1.00 0.00 C ATOM 947 NZ LYS A 62 13.449 -1.237 -5.871 1.00 0.00 N ATOM 0 H LYS A 62 11.075 1.936 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 62 13.065 1.671 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.329 2.781 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.318 2.548 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.241 0.184 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.601 0.171 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.618 1.139 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.184 0.702 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.432 -1.170 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.339 -1.707 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.291 -2.064 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.024 -1.410 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.009 -0.399 -6.302 1.00 0.00 H new ATOM 961 N GLN A 63 13.616 4.802 -2.487 1.00 0.00 N ATOM 962 CA GLN A 63 13.747 6.147 -1.814 1.00 0.00 C ATOM 963 C GLN A 63 13.049 7.328 -2.564 1.00 0.00 C ATOM 964 O GLN A 63 12.674 7.190 -3.714 1.00 0.00 O ATOM 965 CB GLN A 63 15.271 6.418 -1.663 1.00 0.00 C ATOM 966 CG GLN A 63 15.575 7.183 -0.330 1.00 0.00 C ATOM 967 CD GLN A 63 15.514 6.235 0.859 1.00 0.00 C ATOM 968 OE1 GLN A 63 16.345 5.376 1.034 1.00 0.00 O ATOM 969 NE2 GLN A 63 14.568 6.324 1.714 1.00 0.00 N ATOM 0 H GLN A 63 13.816 4.794 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 63 13.230 6.102 -0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.815 5.474 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.626 7.003 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.562 7.642 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.855 7.990 -0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.846 7.036 1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.535 5.683 2.507 1.00 0.00 H new ATOM 978 N LEU A 64 12.909 8.430 -1.886 1.00 0.00 N ATOM 979 CA LEU A 64 12.278 9.699 -2.404 1.00 0.00 C ATOM 980 C LEU A 64 11.708 9.714 -3.859 1.00 0.00 C ATOM 981 O LEU A 64 12.242 10.287 -4.792 1.00 0.00 O ATOM 982 CB LEU A 64 13.371 10.822 -2.173 1.00 0.00 C ATOM 983 CG LEU A 64 14.829 10.375 -2.490 1.00 0.00 C ATOM 984 CD1 LEU A 64 14.994 10.022 -3.964 1.00 0.00 C ATOM 985 CD2 LEU A 64 15.754 11.555 -2.201 1.00 0.00 C ATOM 0 H LEU A 64 13.228 8.516 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 64 11.350 9.852 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.125 11.684 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.322 11.151 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 64 15.064 9.500 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.023 9.714 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.319 9.206 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.759 10.893 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.784 11.270 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.473 12.400 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.666 11.838 -1.152 1.00 0.00 H new ATOM 997 N LEU A 65 10.575 9.091 -4.042 1.00 0.00 N ATOM 998 CA LEU A 65 9.988 9.064 -5.430 1.00 0.00 C ATOM 999 C LEU A 65 9.274 10.368 -5.894 1.00 0.00 C ATOM 1000 O LEU A 65 8.060 10.514 -5.915 1.00 0.00 O ATOM 1001 CB LEU A 65 9.046 7.831 -5.471 1.00 0.00 C ATOM 1002 CG LEU A 65 8.521 7.571 -6.906 1.00 0.00 C ATOM 1003 CD1 LEU A 65 9.688 7.372 -7.884 1.00 0.00 C ATOM 1004 CD2 LEU A 65 7.777 6.248 -6.904 1.00 0.00 C ATOM 0 H LEU A 65 10.038 8.611 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 65 10.803 8.991 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.579 6.951 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.204 7.991 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 65 7.902 8.418 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.297 7.191 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.311 8.266 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.286 6.517 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.397 6.043 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.455 5.450 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.944 6.300 -6.203 1.00 0.00 H new ATOM 1016 N MET A 66 10.102 11.304 -6.262 1.00 0.00 N ATOM 1017 CA MET A 66 9.660 12.657 -6.757 1.00 0.00 C ATOM 1018 C MET A 66 9.174 12.624 -8.236 1.00 0.00 C ATOM 1019 O MET A 66 9.709 13.222 -9.144 1.00 0.00 O ATOM 1020 CB MET A 66 10.823 13.592 -6.650 1.00 0.00 C ATOM 1021 CG MET A 66 11.324 13.798 -5.206 1.00 0.00 C ATOM 1022 SD MET A 66 12.784 14.848 -5.018 1.00 0.00 S ATOM 1023 CE MET A 66 11.943 16.450 -5.048 1.00 0.00 C ATOM 0 H MET A 66 11.115 11.189 -6.242 1.00 0.00 H new ATOM 0 HA MET A 66 8.818 12.983 -6.147 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.643 13.209 -7.258 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.540 14.558 -7.068 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.513 14.228 -4.619 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.545 12.821 -4.776 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.678 17.249 -4.944 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.413 16.565 -5.994 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.231 16.503 -4.225 1.00 0.00 H new ATOM 1033 N SER A 67 8.125 11.894 -8.385 1.00 0.00 N ATOM 1034 CA SER A 67 7.445 11.687 -9.726 1.00 0.00 C ATOM 1035 C SER A 67 6.044 12.371 -9.821 1.00 0.00 C ATOM 1036 O SER A 67 5.012 11.737 -9.705 1.00 0.00 O ATOM 1037 CB SER A 67 7.308 10.177 -9.958 1.00 0.00 C ATOM 1038 OG SER A 67 7.041 10.135 -11.352 1.00 0.00 O ATOM 0 H SER A 67 7.673 11.401 -7.615 1.00 0.00 H new ATOM 0 HA SER A 67 8.060 12.156 -10.494 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.218 9.636 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.499 9.742 -9.371 1.00 0.00 H new ATOM 0 HG SER A 67 6.162 9.730 -11.505 1.00 0.00 H new ATOM 1044 N PRO A 68 6.033 13.670 -10.024 1.00 0.00 N ATOM 1045 CA PRO A 68 4.816 14.535 -9.835 1.00 0.00 C ATOM 1046 C PRO A 68 3.757 14.421 -10.976 1.00 0.00 C ATOM 1047 O PRO A 68 3.689 15.267 -11.847 1.00 0.00 O ATOM 1048 CB PRO A 68 5.440 15.927 -9.689 1.00 0.00 C ATOM 1049 CG PRO A 68 6.561 15.845 -10.762 1.00 0.00 C ATOM 1050 CD PRO A 68 7.211 14.478 -10.476 1.00 0.00 C ATOM 0 HA PRO A 68 4.211 14.241 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.727 16.725 -9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.835 16.102 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.157 15.897 -11.773 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.276 16.661 -10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.681 14.055 -11.364 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.981 14.544 -9.708 1.00 0.00 H new ATOM 1058 N GLY A 69 2.954 13.390 -10.961 1.00 0.00 N ATOM 1059 CA GLY A 69 1.901 13.219 -12.047 1.00 0.00 C ATOM 1060 C GLY A 69 2.252 12.154 -13.085 1.00 0.00 C ATOM 1061 O GLY A 69 1.505 11.893 -14.005 1.00 0.00 O ATOM 0 H GLY A 69 2.969 12.654 -10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.951 12.959 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.757 14.173 -12.554 1.00 0.00 H new ATOM 1065 N GLN A 70 3.392 11.558 -12.910 1.00 0.00 N ATOM 1066 CA GLN A 70 3.873 10.489 -13.846 1.00 0.00 C ATOM 1067 C GLN A 70 3.930 9.143 -13.091 1.00 0.00 C ATOM 1068 O GLN A 70 4.629 8.999 -12.107 1.00 0.00 O ATOM 1069 CB GLN A 70 5.260 10.960 -14.374 1.00 0.00 C ATOM 1070 CG GLN A 70 5.864 9.889 -15.352 1.00 0.00 C ATOM 1071 CD GLN A 70 7.009 10.462 -16.179 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.973 11.006 -15.703 1.00 0.00 O ATOM 1073 NE2 GLN A 70 6.987 10.379 -17.458 1.00 0.00 N ATOM 0 H GLN A 70 4.031 11.765 -12.143 1.00 0.00 H new ATOM 0 HA GLN A 70 3.207 10.332 -14.695 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.155 11.915 -14.889 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.939 11.122 -13.537 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.222 9.034 -14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.083 9.522 -16.018 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.200 9.930 -17.926 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.757 10.762 -18.007 1.00 0.00 H new ATOM 1082 N SER A 71 3.196 8.189 -13.577 1.00 0.00 N ATOM 1083 CA SER A 71 3.159 6.832 -12.922 1.00 0.00 C ATOM 1084 C SER A 71 4.079 5.759 -13.507 1.00 0.00 C ATOM 1085 O SER A 71 4.614 5.847 -14.594 1.00 0.00 O ATOM 1086 CB SER A 71 1.761 6.196 -13.004 1.00 0.00 C ATOM 1087 OG SER A 71 0.822 7.257 -12.975 1.00 0.00 O ATOM 0 H SER A 71 2.610 8.279 -14.407 1.00 0.00 H new ATOM 0 HA SER A 71 3.487 7.081 -11.913 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.656 5.612 -13.919 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.598 5.514 -12.170 1.00 0.00 H new ATOM 0 HG SER A 71 -0.057 6.924 -13.252 1.00 0.00 H new ATOM 1093 N THR A 72 4.219 4.745 -12.707 1.00 0.00 N ATOM 1094 CA THR A 72 5.055 3.546 -13.069 1.00 0.00 C ATOM 1095 C THR A 72 3.998 2.459 -13.254 1.00 0.00 C ATOM 1096 O THR A 72 3.176 2.312 -12.374 1.00 0.00 O ATOM 1097 CB THR A 72 6.019 3.099 -11.927 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.378 1.788 -12.329 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.383 2.841 -10.575 1.00 0.00 C ATOM 0 H THR A 72 3.780 4.685 -11.788 1.00 0.00 H new ATOM 0 HA THR A 72 5.691 3.750 -13.930 1.00 0.00 H new ATOM 0 HB THR A 72 6.773 3.877 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.988 1.137 -11.709 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.151 2.537 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.900 3.752 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.640 2.049 -10.668 1.00 0.00 H new ATOM 1107 N SER A 73 4.010 1.737 -14.334 1.00 0.00 N ATOM 1108 CA SER A 73 2.984 0.650 -14.570 1.00 0.00 C ATOM 1109 C SER A 73 3.561 -0.743 -14.272 1.00 0.00 C ATOM 1110 O SER A 73 3.333 -1.739 -14.929 1.00 0.00 O ATOM 1111 CB SER A 73 2.526 0.787 -16.037 1.00 0.00 C ATOM 1112 OG SER A 73 3.735 1.000 -16.774 1.00 0.00 O ATOM 0 H SER A 73 4.692 1.844 -15.085 1.00 0.00 H new ATOM 0 HA SER A 73 2.135 0.761 -13.896 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.008 -0.110 -16.376 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.834 1.620 -16.160 1.00 0.00 H new ATOM 0 HG SER A 73 3.525 1.096 -17.726 1.00 0.00 H new ATOM 1118 N THR A 74 4.314 -0.687 -13.212 1.00 0.00 N ATOM 1119 CA THR A 74 5.078 -1.811 -12.560 1.00 0.00 C ATOM 1120 C THR A 74 4.657 -3.224 -12.943 1.00 0.00 C ATOM 1121 O THR A 74 4.117 -3.962 -12.141 1.00 0.00 O ATOM 1122 CB THR A 74 4.980 -1.664 -11.004 1.00 0.00 C ATOM 1123 OG1 THR A 74 5.350 -0.315 -10.744 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.156 -2.335 -10.327 1.00 0.00 C ATOM 0 H THR A 74 4.447 0.193 -12.713 1.00 0.00 H new ATOM 0 HA THR A 74 6.097 -1.705 -12.933 1.00 0.00 H new ATOM 0 HB THR A 74 4.005 -2.029 -10.681 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.311 -0.145 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.068 -2.221 -9.247 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.165 -3.395 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.083 -1.873 -10.666 1.00 0.00 H new ATOM 1132 N THR A 75 4.904 -3.589 -14.171 1.00 0.00 N ATOM 1133 CA THR A 75 4.511 -4.976 -14.589 1.00 0.00 C ATOM 1134 C THR A 75 5.487 -5.949 -13.931 1.00 0.00 C ATOM 1135 O THR A 75 6.687 -5.756 -13.915 1.00 0.00 O ATOM 1136 CB THR A 75 4.538 -5.070 -16.152 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.332 -5.766 -16.449 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.567 -6.039 -16.731 1.00 0.00 C ATOM 0 H THR A 75 5.346 -3.013 -14.887 1.00 0.00 H new ATOM 0 HA THR A 75 3.499 -5.226 -14.271 1.00 0.00 H new ATOM 0 HB THR A 75 4.718 -4.067 -16.539 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.257 -5.892 -17.418 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.504 -6.029 -17.819 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.567 -5.735 -16.423 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.365 -7.046 -16.365 1.00 0.00 H new ATOM 1146 N PHE A 76 4.911 -6.977 -13.397 1.00 0.00 N ATOM 1147 CA PHE A 76 5.687 -8.042 -12.687 1.00 0.00 C ATOM 1148 C PHE A 76 6.554 -9.031 -13.518 1.00 0.00 C ATOM 1149 O PHE A 76 6.416 -9.166 -14.717 1.00 0.00 O ATOM 1150 CB PHE A 76 4.636 -8.807 -11.833 1.00 0.00 C ATOM 1151 CG PHE A 76 4.193 -7.991 -10.597 1.00 0.00 C ATOM 1152 CD1 PHE A 76 3.834 -6.666 -10.703 1.00 0.00 C ATOM 1153 CD2 PHE A 76 4.144 -8.577 -9.347 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.444 -5.940 -9.613 1.00 0.00 C ATOM 1155 CE2 PHE A 76 3.748 -7.846 -8.238 1.00 0.00 C ATOM 1156 CZ PHE A 76 3.397 -6.519 -8.377 1.00 0.00 C ATOM 0 H PHE A 76 3.904 -7.137 -13.419 1.00 0.00 H new ATOM 0 HA PHE A 76 6.468 -7.532 -12.124 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.766 -9.036 -12.448 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.056 -9.759 -11.508 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.861 -6.189 -11.671 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.417 -9.616 -9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.171 -4.902 -9.730 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.714 -8.315 -7.266 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.088 -5.944 -7.517 1.00 0.00 H new ATOM 1166 N PRO A 77 7.443 -9.696 -12.809 1.00 0.00 N ATOM 1167 CA PRO A 77 8.061 -10.979 -13.256 1.00 0.00 C ATOM 1168 C PRO A 77 7.223 -12.202 -12.777 1.00 0.00 C ATOM 1169 O PRO A 77 6.145 -12.056 -12.231 1.00 0.00 O ATOM 1170 CB PRO A 77 9.446 -10.857 -12.646 1.00 0.00 C ATOM 1171 CG PRO A 77 9.107 -10.309 -11.231 1.00 0.00 C ATOM 1172 CD PRO A 77 7.992 -9.262 -11.486 1.00 0.00 C ATOM 0 HA PRO A 77 8.103 -11.144 -14.333 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.962 -11.816 -12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.085 -10.176 -13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.764 -11.103 -10.568 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.979 -9.855 -10.760 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.232 -9.279 -10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.388 -8.247 -11.523 1.00 0.00 H new ATOM 1180 N ALA A 78 7.746 -13.376 -12.977 1.00 0.00 N ATOM 1181 CA ALA A 78 7.038 -14.640 -12.560 1.00 0.00 C ATOM 1182 C ALA A 78 7.782 -15.242 -11.331 1.00 0.00 C ATOM 1183 O ALA A 78 7.355 -16.169 -10.675 1.00 0.00 O ATOM 1184 CB ALA A 78 7.066 -15.563 -13.794 1.00 0.00 C ATOM 0 H ALA A 78 8.652 -13.527 -13.420 1.00 0.00 H new ATOM 0 HA ALA A 78 6.004 -14.483 -12.251 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.566 -16.502 -13.557 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.552 -15.077 -14.623 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.100 -15.763 -14.075 1.00 0.00 H new ATOM 1190 N ASP A 79 8.890 -14.621 -11.087 1.00 0.00 N ATOM 1191 CA ASP A 79 9.865 -14.909 -10.009 1.00 0.00 C ATOM 1192 C ASP A 79 9.375 -14.259 -8.663 1.00 0.00 C ATOM 1193 O ASP A 79 10.084 -13.616 -7.908 1.00 0.00 O ATOM 1194 CB ASP A 79 11.195 -14.338 -10.630 1.00 0.00 C ATOM 1195 CG ASP A 79 11.333 -14.639 -12.129 1.00 0.00 C ATOM 1196 OD1 ASP A 79 10.622 -14.002 -12.896 1.00 0.00 O ATOM 1197 OD2 ASP A 79 12.142 -15.492 -12.416 1.00 0.00 O ATOM 0 H ASP A 79 9.188 -13.834 -11.663 1.00 0.00 H new ATOM 0 HA ASP A 79 9.999 -15.952 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.227 -13.259 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.048 -14.761 -10.100 1.00 0.00 H new ATOM 1202 N ALA A 80 8.112 -14.470 -8.420 1.00 0.00 N ATOM 1203 CA ALA A 80 7.416 -13.946 -7.198 1.00 0.00 C ATOM 1204 C ALA A 80 6.560 -15.033 -6.460 1.00 0.00 C ATOM 1205 O ALA A 80 6.350 -16.114 -6.970 1.00 0.00 O ATOM 1206 CB ALA A 80 6.567 -12.751 -7.705 1.00 0.00 C ATOM 0 H ALA A 80 7.505 -15.005 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 80 8.131 -13.637 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.024 -12.310 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.222 -12.001 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.857 -13.101 -8.454 1.00 0.00 H new ATOM 1212 N PRO A 81 6.082 -14.731 -5.275 1.00 0.00 N ATOM 1213 CA PRO A 81 4.981 -15.513 -4.634 1.00 0.00 C ATOM 1214 C PRO A 81 3.559 -14.929 -4.913 1.00 0.00 C ATOM 1215 O PRO A 81 3.396 -13.769 -5.241 1.00 0.00 O ATOM 1216 CB PRO A 81 5.417 -15.466 -3.185 1.00 0.00 C ATOM 1217 CG PRO A 81 5.805 -13.947 -3.074 1.00 0.00 C ATOM 1218 CD PRO A 81 6.569 -13.635 -4.390 1.00 0.00 C ATOM 0 HA PRO A 81 4.856 -16.526 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.617 -15.744 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.258 -16.128 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.920 -13.319 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.430 -13.761 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.324 -12.649 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.650 -13.665 -4.255 1.00 0.00 H new ATOM 1226 N ALA A 82 2.550 -15.740 -4.753 1.00 0.00 N ATOM 1227 CA ALA A 82 1.139 -15.276 -4.997 1.00 0.00 C ATOM 1228 C ALA A 82 0.370 -14.955 -3.676 1.00 0.00 C ATOM 1229 O ALA A 82 0.770 -15.351 -2.595 1.00 0.00 O ATOM 1230 CB ALA A 82 0.465 -16.403 -5.805 1.00 0.00 C ATOM 0 H ALA A 82 2.635 -16.714 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 82 1.130 -14.333 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.569 -16.130 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.002 -16.550 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.484 -17.327 -5.227 1.00 0.00 H new ATOM 1236 N GLY A 83 -0.712 -14.236 -3.790 1.00 0.00 N ATOM 1237 CA GLY A 83 -1.558 -13.855 -2.579 1.00 0.00 C ATOM 1238 C GLY A 83 -1.769 -12.344 -2.417 1.00 0.00 C ATOM 1239 O GLY A 83 -1.958 -11.663 -3.399 1.00 0.00 O ATOM 0 H GLY A 83 -1.067 -13.882 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.530 -14.341 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.082 -14.244 -1.679 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.765 -11.846 -1.210 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.961 -10.365 -1.002 1.00 0.00 C ATOM 1245 C GLU A 84 -0.703 -9.650 -0.424 1.00 0.00 C ATOM 1246 O GLU A 84 -0.043 -10.136 0.479 1.00 0.00 O ATOM 1247 CB GLU A 84 -3.181 -10.190 -0.065 1.00 0.00 C ATOM 1248 CG GLU A 84 -3.545 -8.654 -0.046 1.00 0.00 C ATOM 1249 CD GLU A 84 -4.813 -8.327 0.700 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.018 -8.896 1.744 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -5.549 -7.482 0.230 1.00 0.00 O ATOM 0 H GLU A 84 -1.636 -12.390 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.133 -9.892 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.026 -10.780 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.947 -10.541 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.720 -8.102 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.641 -8.302 -1.073 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.401 -8.515 -0.991 1.00 0.00 N ATOM 1259 CA TYR A 85 0.781 -7.686 -0.560 1.00 0.00 C ATOM 1260 C TYR A 85 0.390 -6.275 -0.011 1.00 0.00 C ATOM 1261 O TYR A 85 -0.718 -5.793 -0.178 1.00 0.00 O ATOM 1262 CB TYR A 85 1.731 -7.559 -1.812 1.00 0.00 C ATOM 1263 CG TYR A 85 1.608 -8.800 -2.725 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.661 -10.077 -2.208 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.418 -8.650 -4.083 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.518 -11.178 -3.032 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.279 -9.756 -4.898 1.00 0.00 C ATOM 1268 CZ TYR A 85 1.327 -11.015 -4.373 1.00 0.00 C ATOM 1269 OH TYR A 85 1.175 -12.106 -5.187 1.00 0.00 O ATOM 0 H TYR A 85 -0.936 -8.109 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 85 1.276 -8.182 0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.478 -6.661 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.763 -7.447 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.816 -10.219 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.378 -7.660 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.558 -12.172 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.131 -9.624 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 85 2.030 -12.579 -5.263 1.00 0.00 H new ATOM 1279 N THR A 86 1.301 -5.620 0.651 1.00 0.00 N ATOM 1280 CA THR A 86 1.021 -4.236 1.217 1.00 0.00 C ATOM 1281 C THR A 86 2.178 -3.244 1.046 1.00 0.00 C ATOM 1282 O THR A 86 3.234 -3.442 1.608 1.00 0.00 O ATOM 1283 CB THR A 86 0.679 -4.371 2.714 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.539 -5.102 2.709 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.176 -3.077 3.306 1.00 0.00 C ATOM 0 H THR A 86 2.240 -5.972 0.835 1.00 0.00 H new ATOM 0 HA THR A 86 0.186 -3.827 0.649 1.00 0.00 H new ATOM 0 HB THR A 86 1.552 -4.759 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.841 -5.242 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.051 -3.224 4.362 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.942 -2.308 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.726 -2.763 2.781 1.00 0.00 H new ATOM 1293 N PHE A 87 1.981 -2.201 0.289 1.00 0.00 N ATOM 1294 CA PHE A 87 3.071 -1.194 0.080 1.00 0.00 C ATOM 1295 C PHE A 87 2.810 0.193 0.703 1.00 0.00 C ATOM 1296 O PHE A 87 1.736 0.738 0.564 1.00 0.00 O ATOM 1297 CB PHE A 87 3.339 -0.978 -1.440 1.00 0.00 C ATOM 1298 CG PHE A 87 2.458 -1.773 -2.379 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.158 -1.388 -2.586 1.00 0.00 C ATOM 1300 CD2 PHE A 87 2.960 -2.863 -3.041 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.358 -2.089 -3.457 1.00 0.00 C ATOM 1302 CE2 PHE A 87 2.171 -3.569 -3.911 1.00 0.00 C ATOM 1303 CZ PHE A 87 0.870 -3.179 -4.118 1.00 0.00 C ATOM 0 H PHE A 87 1.109 -1.998 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 87 3.930 -1.628 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.216 0.081 -1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.379 -1.229 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.761 -0.531 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.983 -3.167 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.665 -1.785 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.570 -4.427 -4.431 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.246 -3.733 -4.804 1.00 0.00 H new ATOM 1313 N TYR A 88 3.782 0.728 1.377 1.00 0.00 N ATOM 1314 CA TYR A 88 3.656 2.072 2.022 1.00 0.00 C ATOM 1315 C TYR A 88 4.632 3.187 1.540 1.00 0.00 C ATOM 1316 O TYR A 88 5.764 2.909 1.198 1.00 0.00 O ATOM 1317 CB TYR A 88 3.798 1.805 3.541 1.00 0.00 C ATOM 1318 CG TYR A 88 5.017 0.921 3.807 1.00 0.00 C ATOM 1319 CD1 TYR A 88 6.291 1.437 3.829 1.00 0.00 C ATOM 1320 CD2 TYR A 88 4.835 -0.428 4.025 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.368 0.602 4.067 1.00 0.00 C ATOM 1322 CE2 TYR A 88 5.915 -1.251 4.261 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.186 -0.740 4.285 1.00 0.00 C ATOM 1324 OH TYR A 88 8.272 -1.544 4.527 1.00 0.00 O ATOM 0 H TYR A 88 4.688 0.281 1.515 1.00 0.00 H new ATOM 0 HA TYR A 88 2.695 2.498 1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.900 2.749 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.898 1.320 3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 88 6.451 2.492 3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.838 -0.843 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.367 1.013 4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.758 -2.306 4.428 1.00 0.00 H new ATOM 0 HH TYR A 88 7.967 -2.449 4.747 1.00 0.00 H new ATOM 1334 N CYS A 89 4.163 4.405 1.527 1.00 0.00 N ATOM 1335 CA CYS A 89 4.999 5.593 1.092 1.00 0.00 C ATOM 1336 C CYS A 89 6.163 6.010 2.050 1.00 0.00 C ATOM 1337 O CYS A 89 5.912 6.730 2.998 1.00 0.00 O ATOM 1338 CB CYS A 89 4.111 6.843 0.935 1.00 0.00 C ATOM 1339 SG CYS A 89 3.276 7.389 -0.569 1.00 0.00 S ATOM 0 H CYS A 89 3.212 4.646 1.805 1.00 0.00 H new ATOM 0 HA CYS A 89 5.447 5.249 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.325 6.737 1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.733 7.683 1.244 1.00 0.00 H new ATOM 0 HG CYS A 89 2.291 8.177 -0.257 1.00 0.00 H new ATOM 1344 N GLU A 90 7.365 5.583 1.802 1.00 0.00 N ATOM 1345 CA GLU A 90 8.560 5.943 2.667 1.00 0.00 C ATOM 1346 C GLU A 90 8.389 7.216 3.611 1.00 0.00 C ATOM 1347 O GLU A 90 8.404 7.073 4.834 1.00 0.00 O ATOM 1348 CB GLU A 90 9.714 6.044 1.603 1.00 0.00 C ATOM 1349 CG GLU A 90 10.884 7.065 1.959 1.00 0.00 C ATOM 1350 CD GLU A 90 11.457 7.789 0.733 1.00 0.00 C ATOM 1351 OE1 GLU A 90 10.769 7.929 -0.261 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.595 8.187 0.867 1.00 0.00 O ATOM 0 H GLU A 90 7.594 4.978 1.013 1.00 0.00 H new ATOM 0 HA GLU A 90 8.750 5.201 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.148 5.053 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.279 6.335 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.508 7.805 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.687 6.525 2.461 1.00 0.00 H new ATOM 1359 N PRO A 91 8.210 8.396 3.035 1.00 0.00 N ATOM 1360 CA PRO A 91 8.184 9.703 3.762 1.00 0.00 C ATOM 1361 C PRO A 91 6.755 10.241 4.068 1.00 0.00 C ATOM 1362 O PRO A 91 6.573 11.326 4.579 1.00 0.00 O ATOM 1363 CB PRO A 91 8.995 10.560 2.820 1.00 0.00 C ATOM 1364 CG PRO A 91 8.387 10.150 1.440 1.00 0.00 C ATOM 1365 CD PRO A 91 8.040 8.645 1.570 1.00 0.00 C ATOM 0 HA PRO A 91 8.586 9.659 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.874 11.624 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.061 10.343 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.499 10.739 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.098 10.320 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.024 8.433 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.706 8.022 0.973 1.00 0.00 H new ATOM 1373 N HIS A 92 5.757 9.466 3.756 1.00 0.00 N ATOM 1374 CA HIS A 92 4.317 9.864 4.002 1.00 0.00 C ATOM 1375 C HIS A 92 3.816 8.847 5.033 1.00 0.00 C ATOM 1376 O HIS A 92 2.882 8.087 4.867 1.00 0.00 O ATOM 1377 CB HIS A 92 3.519 9.761 2.685 1.00 0.00 C ATOM 1378 CG HIS A 92 4.063 10.715 1.626 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.939 10.471 0.326 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.711 11.921 1.834 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.505 11.522 -0.234 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.947 12.352 0.639 1.00 0.00 N ATOM 0 H HIS A 92 5.868 8.546 3.329 1.00 0.00 H new ATOM 0 HA HIS A 92 4.207 10.889 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.562 8.738 2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.470 9.987 2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.960 12.391 2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.587 11.667 -1.301 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.419 13.229 0.420 1.00 0.00 H new ATOM 1390 N ARG A 93 4.528 8.924 6.110 1.00 0.00 N ATOM 1391 CA ARG A 93 4.304 8.060 7.300 1.00 0.00 C ATOM 1392 C ARG A 93 3.266 8.782 8.204 1.00 0.00 C ATOM 1393 O ARG A 93 3.259 9.992 8.301 1.00 0.00 O ATOM 1394 CB ARG A 93 5.739 7.924 7.837 1.00 0.00 C ATOM 1395 CG ARG A 93 5.942 6.704 8.739 1.00 0.00 C ATOM 1396 CD ARG A 93 7.451 6.607 9.025 1.00 0.00 C ATOM 1397 NE ARG A 93 8.148 6.272 7.713 1.00 0.00 N ATOM 1398 CZ ARG A 93 8.824 5.221 7.557 1.00 0.00 C ATOM 1399 NH1 ARG A 93 9.849 5.066 8.261 1.00 0.00 N ATOM 1400 NH2 ARG A 93 8.406 4.413 6.702 1.00 0.00 N ATOM 0 H ARG A 93 5.297 9.584 6.223 1.00 0.00 H new ATOM 0 HA ARG A 93 3.873 7.068 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.429 7.862 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.996 8.825 8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.379 6.811 9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.582 5.798 8.251 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.826 7.548 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.651 5.838 9.772 1.00 0.00 H new ATOM 0 HE ARG A 93 8.064 6.923 6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.116 5.781 8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.417 4.225 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.559 4.622 6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.912 3.544 6.531 1.00 0.00 H new ATOM 1414 N GLY A 94 2.395 8.051 8.843 1.00 0.00 N ATOM 1415 CA GLY A 94 1.355 8.717 9.731 1.00 0.00 C ATOM 1416 C GLY A 94 0.138 9.044 8.860 1.00 0.00 C ATOM 1417 O GLY A 94 -0.976 8.638 9.113 1.00 0.00 O ATOM 0 H GLY A 94 2.344 7.033 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.072 8.056 10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.760 9.625 10.179 1.00 0.00 H new ATOM 1421 N ALA A 95 0.409 9.781 7.822 1.00 0.00 N ATOM 1422 CA ALA A 95 -0.644 10.209 6.841 1.00 0.00 C ATOM 1423 C ALA A 95 -0.977 9.058 5.833 1.00 0.00 C ATOM 1424 O ALA A 95 -0.709 9.110 4.651 1.00 0.00 O ATOM 1425 CB ALA A 95 -0.076 11.476 6.158 1.00 0.00 C ATOM 0 H ALA A 95 1.345 10.119 7.600 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.596 10.433 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.793 11.847 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.105 12.244 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.860 11.230 5.657 1.00 0.00 H new ATOM 1431 N GLY A 96 -1.558 8.046 6.417 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.030 6.753 5.768 1.00 0.00 C ATOM 1433 C GLY A 96 -1.754 6.426 4.294 1.00 0.00 C ATOM 1434 O GLY A 96 -2.619 5.925 3.605 1.00 0.00 O ATOM 0 H GLY A 96 -1.748 8.056 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.607 5.937 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.111 6.713 5.900 1.00 0.00 H new ATOM 1438 N MET A 97 -0.570 6.684 3.830 1.00 0.00 N ATOM 1439 CA MET A 97 -0.253 6.375 2.393 1.00 0.00 C ATOM 1440 C MET A 97 0.161 4.896 2.148 1.00 0.00 C ATOM 1441 O MET A 97 1.299 4.571 1.853 1.00 0.00 O ATOM 1442 CB MET A 97 0.866 7.358 1.946 1.00 0.00 C ATOM 1443 CG MET A 97 0.262 8.751 1.690 1.00 0.00 C ATOM 1444 SD MET A 97 0.776 9.606 0.178 1.00 0.00 S ATOM 1445 CE MET A 97 -0.501 8.942 -0.919 1.00 0.00 C ATOM 0 H MET A 97 0.194 7.092 4.369 1.00 0.00 H new ATOM 0 HA MET A 97 -1.156 6.507 1.798 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.636 7.421 2.715 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.348 6.988 1.041 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.823 8.651 1.670 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.508 9.388 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.040 8.583 -1.839 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.013 8.117 -0.424 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.221 9.726 -1.156 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.824 4.059 2.313 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.703 2.580 2.133 1.00 0.00 C ATOM 1457 C VAL A 98 -1.581 1.965 0.991 1.00 0.00 C ATOM 1458 O VAL A 98 -2.741 2.299 0.845 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.075 1.941 3.489 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.039 2.302 4.561 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.440 2.453 4.000 1.00 0.00 C ATOM 0 H VAL A 98 -1.762 4.357 2.581 1.00 0.00 H new ATOM 0 HA VAL A 98 0.320 2.368 1.821 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.111 0.864 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.320 1.842 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.942 1.936 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.001 3.385 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.670 1.983 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.398 3.535 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.216 2.203 3.277 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.010 1.089 0.208 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.755 0.407 -0.929 1.00 0.00 C ATOM 1473 C GLY A 99 -1.746 -1.128 -0.795 1.00 0.00 C ATOM 1474 O GLY A 99 -0.727 -1.707 -0.478 1.00 0.00 O ATOM 0 H GLY A 99 -0.036 0.801 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.785 0.762 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.301 0.689 -1.879 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.858 -1.766 -1.035 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.950 -3.267 -0.933 1.00 0.00 C ATOM 1480 C LYS A 100 -3.446 -4.008 -2.205 1.00 0.00 C ATOM 1481 O LYS A 100 -4.557 -3.827 -2.667 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.873 -3.592 0.269 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.036 -3.546 1.580 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.675 -4.492 2.641 1.00 0.00 C ATOM 1485 CE LYS A 100 -3.557 -5.951 2.181 1.00 0.00 C ATOM 1486 NZ LYS A 100 -4.519 -6.753 2.989 1.00 0.00 N ATOM 0 H LYS A 100 -3.729 -1.309 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.933 -3.635 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.691 -2.874 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.321 -4.578 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.009 -3.850 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.997 -2.526 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.177 -4.364 3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.723 -4.232 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.783 -6.038 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.540 -6.317 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.394 -7.763 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.344 -6.589 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.491 -6.467 2.755 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.593 -4.831 -2.743 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.912 -5.633 -3.976 1.00 0.00 C ATOM 1502 C ILE A 101 -2.952 -7.179 -3.740 1.00 0.00 C ATOM 1503 O ILE A 101 -2.081 -7.751 -3.119 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.831 -5.260 -5.028 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -2.402 -5.350 -6.451 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.624 -6.225 -4.944 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -1.242 -5.433 -7.493 1.00 0.00 C ATOM 0 H ILE A 101 -1.656 -4.992 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.920 -5.387 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.513 -4.240 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.043 -6.227 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.024 -4.479 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.119 -5.944 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.180 -6.167 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.960 -7.245 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.659 -5.496 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.618 -4.543 -7.415 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.637 -6.318 -7.295 1.00 0.00 H new ATOM 1519 N THR A 102 -3.975 -7.803 -4.224 1.00 0.00 N ATOM 1520 CA THR A 102 -4.163 -9.298 -4.103 1.00 0.00 C ATOM 1521 C THR A 102 -4.187 -9.942 -5.471 1.00 0.00 C ATOM 1522 O THR A 102 -4.874 -9.452 -6.338 1.00 0.00 O ATOM 1523 CB THR A 102 -5.500 -9.678 -3.472 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.571 -8.966 -2.255 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.500 -11.104 -2.966 1.00 0.00 C ATOM 0 H THR A 102 -4.731 -7.334 -4.723 1.00 0.00 H new ATOM 0 HA THR A 102 -3.332 -9.638 -3.485 1.00 0.00 H new ATOM 0 HB THR A 102 -6.280 -9.499 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.228 -9.391 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.470 -11.333 -2.525 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.309 -11.784 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.721 -11.223 -2.213 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.472 -10.995 -5.677 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.512 -11.639 -7.032 1.00 0.00 C ATOM 1535 C VAL A 103 -4.697 -12.648 -7.109 1.00 0.00 C ATOM 1536 O VAL A 103 -5.298 -13.020 -6.116 1.00 0.00 O ATOM 1537 CB VAL A 103 -2.147 -12.321 -7.214 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.005 -11.321 -6.997 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -2.050 -13.431 -6.244 1.00 0.00 C ATOM 0 H VAL A 103 -2.866 -11.443 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.680 -10.918 -7.832 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.061 -12.703 -8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.049 -11.826 -7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.091 -10.509 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.063 -10.916 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.087 -13.929 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.139 -13.038 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.852 -14.146 -6.428 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.999 -13.057 -8.303 1.00 0.00 N ATOM 1550 CA ALA A 104 -6.107 -14.035 -8.570 1.00 0.00 C ATOM 1551 C ALA A 104 -5.433 -15.310 -9.143 1.00 0.00 C ATOM 1552 O ALA A 104 -5.654 -15.722 -10.268 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.070 -13.331 -9.558 1.00 0.00 C ATOM 0 H ALA A 104 -4.510 -12.747 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.687 -14.334 -7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.901 -13.996 -9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.453 -12.417 -9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.534 -13.084 -10.474 1.00 0.00 H new ATOM 1559 N GLY A 105 -4.618 -15.855 -8.290 1.00 0.00 N ATOM 1560 CA GLY A 105 -3.809 -17.093 -8.550 1.00 0.00 C ATOM 1561 C GLY A 105 -2.406 -16.856 -7.987 1.00 0.00 C ATOM 1562 O GLY A 105 -1.901 -17.789 -7.396 1.00 0.00 O ATOM 1563 OXT GLY A 105 -1.914 -15.758 -8.175 1.00 0.00 O ATOM 0 H GLY A 105 -4.466 -15.470 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.271 -17.959 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.762 -17.302 -9.619 1.00 0.00 H new