USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 861 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= -0.677 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.131 K(o=-0.55,f=1.5) USER MOD Single : A 1 MET CE :methyl -166:sc= -1 (180deg=-1.26) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.182 USER MOD Single : A 10 ASN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 1.14 (180deg=0.766) USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= 1.27 (180deg=0.181) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0.978 (180deg=0.382) USER MOD Single : A 21 MET CE :methyl -162:sc= -0.144 (180deg=-0.646) USER MOD Single : A 24 LYS NZ :NH3+ -110:sc= -1.39 (180deg=-3.9!) USER MOD Single : A 26 ASN : amide:sc= -0.0027 X(o=-0.0027,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.908 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= 1 (180deg=0.404) USER MOD Single : A 41 TYR OH : rot -134:sc= 0.789 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -30:sc= 0.364 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.24) USER MOD Single : A 68 LYS NZ :NH3+ -107:sc= -1.49 (180deg=-4.03!) USER MOD Single : A 72 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.45) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.0939 (180deg=-0.488) USER MOD Single : A 74 MET CE :methyl 153:sc= -0.597 (180deg=-0.847) USER MOD Single : A 80 THR OG1 : rot 25:sc= -0.0317 USER MOD Single : A 82 LYS NZ :NH3+ -112:sc= 1.09 (180deg=-0.717!) USER MOD Single : A 90 LYS NZ :NH3+ -140:sc= 0.434 (180deg=-1.09!) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.67) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.287 16.999 5.077 1.00 65.35 N ATOM 2 CA MET A 1 -1.010 15.879 4.417 1.00 52.13 C ATOM 3 C MET A 1 -0.312 14.541 4.716 1.00 52.24 C ATOM 4 O MET A 1 0.913 14.442 4.627 1.00 20.55 O ATOM 5 CB MET A 1 -1.066 16.115 2.899 1.00 34.41 C ATOM 6 CG MET A 1 -2.130 15.298 2.182 1.00 4.12 C ATOM 7 SD MET A 1 -3.795 15.758 2.704 1.00 72.34 S ATOM 8 CE MET A 1 -4.795 14.703 1.659 1.00 13.21 C ATOM 0 H1 MET A 1 -0.770 17.896 4.866 1.00 65.35 H new ATOM 0 H2 MET A 1 -0.275 16.846 6.106 1.00 65.35 H new ATOM 0 H3 MET A 1 0.689 17.039 4.721 1.00 65.35 H new ATOM 0 HA MET A 1 -2.026 15.838 4.810 1.00 52.13 H new ATOM 0 HB2 MET A 1 -1.249 17.173 2.713 1.00 34.41 H new ATOM 0 HB3 MET A 1 -0.092 15.880 2.469 1.00 34.41 H new ATOM 0 HG2 MET A 1 -2.034 15.441 1.106 1.00 4.12 H new ATOM 0 HG3 MET A 1 -1.968 14.238 2.378 1.00 4.12 H new ATOM 0 HE1 MET A 1 -5.830 15.043 1.683 1.00 13.21 H new ATOM 0 HE2 MET A 1 -4.423 14.746 0.635 1.00 13.21 H new ATOM 0 HE3 MET A 1 -4.742 13.676 2.021 1.00 13.21 H new ATOM 20 N LEU A 2 -1.087 13.518 5.070 1.00 0.54 N ATOM 21 CA LEU A 2 -0.521 12.206 5.420 1.00 52.32 C ATOM 22 C LEU A 2 -0.477 11.270 4.198 1.00 64.21 C ATOM 23 O LEU A 2 -1.460 11.142 3.467 1.00 74.05 O ATOM 24 CB LEU A 2 -1.325 11.542 6.553 1.00 70.05 C ATOM 25 CG LEU A 2 -1.481 12.367 7.849 1.00 43.11 C ATOM 26 CD1 LEU A 2 -2.633 13.362 7.730 1.00 25.23 C ATOM 27 CD2 LEU A 2 -1.674 11.447 9.053 1.00 71.33 C ATOM 0 H LEU A 2 -2.104 13.566 5.124 1.00 0.54 H new ATOM 0 HA LEU A 2 0.499 12.377 5.763 1.00 52.32 H new ATOM 0 HB2 LEU A 2 -2.320 11.306 6.175 1.00 70.05 H new ATOM 0 HB3 LEU A 2 -0.846 10.596 6.804 1.00 70.05 H new ATOM 0 HG LEU A 2 -0.564 12.937 8.001 1.00 43.11 H new ATOM 0 HD11 LEU A 2 -2.721 13.930 8.656 1.00 25.23 H new ATOM 0 HD12 LEU A 2 -2.440 14.045 6.903 1.00 25.23 H new ATOM 0 HD13 LEU A 2 -3.562 12.823 7.546 1.00 25.23 H new ATOM 0 HD21 LEU A 2 -1.782 12.048 9.956 1.00 71.33 H new ATOM 0 HD22 LEU A 2 -2.570 10.843 8.910 1.00 71.33 H new ATOM 0 HD23 LEU A 2 -0.808 10.793 9.154 1.00 71.33 H new ATOM 39 N LEU A 3 0.665 10.617 3.985 1.00 61.14 N ATOM 40 CA LEU A 3 0.853 9.708 2.844 1.00 72.32 C ATOM 41 C LEU A 3 1.400 8.344 3.306 1.00 74.14 C ATOM 42 O LEU A 3 2.528 8.248 3.793 1.00 64.14 O ATOM 43 CB LEU A 3 1.813 10.347 1.829 1.00 1.20 C ATOM 44 CG LEU A 3 1.326 11.662 1.193 1.00 32.10 C ATOM 45 CD1 LEU A 3 2.442 12.322 0.387 1.00 74.31 C ATOM 46 CD2 LEU A 3 0.108 11.417 0.311 1.00 71.04 C ATOM 0 H LEU A 3 1.482 10.699 4.590 1.00 61.14 H new ATOM 0 HA LEU A 3 -0.115 9.539 2.373 1.00 72.32 H new ATOM 0 HB2 LEU A 3 2.766 10.534 2.324 1.00 1.20 H new ATOM 0 HB3 LEU A 3 2.004 9.627 1.033 1.00 1.20 H new ATOM 0 HG LEU A 3 1.038 12.338 1.998 1.00 32.10 H new ATOM 0 HD11 LEU A 3 2.074 13.249 -0.053 1.00 74.31 H new ATOM 0 HD12 LEU A 3 3.284 12.541 1.043 1.00 74.31 H new ATOM 0 HD13 LEU A 3 2.766 11.648 -0.406 1.00 74.31 H new ATOM 0 HD21 LEU A 3 -0.219 12.360 -0.128 1.00 71.04 H new ATOM 0 HD22 LEU A 3 0.369 10.718 -0.484 1.00 71.04 H new ATOM 0 HD23 LEU A 3 -0.699 10.998 0.913 1.00 71.04 H new ATOM 58 N TYR A 4 0.599 7.290 3.148 1.00 62.22 N ATOM 59 CA TYR A 4 0.979 5.946 3.615 1.00 3.14 C ATOM 60 C TYR A 4 0.917 4.906 2.485 1.00 11.53 C ATOM 61 O TYR A 4 0.091 5.003 1.578 1.00 12.15 O ATOM 62 CB TYR A 4 0.075 5.516 4.780 1.00 52.53 C ATOM 63 CG TYR A 4 0.375 6.242 6.080 1.00 44.32 C ATOM 64 CD1 TYR A 4 -0.127 7.515 6.330 1.00 1.11 C ATOM 65 CD2 TYR A 4 1.173 5.651 7.054 1.00 34.22 C ATOM 66 CE1 TYR A 4 0.157 8.173 7.512 1.00 44.32 C ATOM 67 CE2 TYR A 4 1.457 6.303 8.237 1.00 41.22 C ATOM 68 CZ TYR A 4 0.951 7.563 8.460 1.00 51.10 C ATOM 69 OH TYR A 4 1.245 8.215 9.636 1.00 40.55 O ATOM 0 H TYR A 4 -0.317 7.335 2.701 1.00 62.22 H new ATOM 0 HA TYR A 4 2.013 5.997 3.957 1.00 3.14 H new ATOM 0 HB2 TYR A 4 -0.965 5.692 4.506 1.00 52.53 H new ATOM 0 HB3 TYR A 4 0.186 4.443 4.938 1.00 52.53 H new ATOM 0 HD1 TYR A 4 -0.748 7.997 5.589 1.00 1.11 H new ATOM 0 HD2 TYR A 4 1.578 4.665 6.882 1.00 34.22 H new ATOM 0 HE1 TYR A 4 -0.241 9.161 7.692 1.00 44.32 H new ATOM 0 HE2 TYR A 4 2.074 5.826 8.984 1.00 41.22 H new ATOM 0 HH TYR A 4 1.814 7.644 10.193 1.00 40.55 H new ATOM 79 N VAL A 5 1.798 3.906 2.553 1.00 33.51 N ATOM 80 CA VAL A 5 1.882 2.861 1.524 1.00 0.30 C ATOM 81 C VAL A 5 1.806 1.447 2.134 1.00 12.45 C ATOM 82 O VAL A 5 2.580 1.096 3.027 1.00 11.40 O ATOM 83 CB VAL A 5 3.197 2.989 0.704 1.00 52.33 C ATOM 84 CG1 VAL A 5 3.280 1.908 -0.376 1.00 72.32 C ATOM 85 CG2 VAL A 5 3.325 4.385 0.087 1.00 33.43 C ATOM 0 H VAL A 5 2.468 3.795 3.314 1.00 33.51 H new ATOM 0 HA VAL A 5 1.026 3.004 0.865 1.00 0.30 H new ATOM 0 HB VAL A 5 4.032 2.844 1.390 1.00 52.33 H new ATOM 0 HG11 VAL A 5 4.210 2.022 -0.934 1.00 72.32 H new ATOM 0 HG12 VAL A 5 3.255 0.924 0.092 1.00 72.32 H new ATOM 0 HG13 VAL A 5 2.434 2.008 -1.056 1.00 72.32 H new ATOM 0 HG21 VAL A 5 4.253 4.448 -0.481 1.00 33.43 H new ATOM 0 HG22 VAL A 5 2.480 4.568 -0.577 1.00 33.43 H new ATOM 0 HG23 VAL A 5 3.333 5.134 0.879 1.00 33.43 H new ATOM 95 N LEU A 6 0.866 0.641 1.648 1.00 31.22 N ATOM 96 CA LEU A 6 0.734 -0.756 2.071 1.00 34.11 C ATOM 97 C LEU A 6 1.194 -1.708 0.955 1.00 35.41 C ATOM 98 O LEU A 6 0.838 -1.529 -0.210 1.00 4.54 O ATOM 99 CB LEU A 6 -0.723 -1.064 2.444 1.00 64.03 C ATOM 100 CG LEU A 6 -1.299 -0.244 3.610 1.00 61.43 C ATOM 101 CD1 LEU A 6 -2.757 -0.628 3.871 1.00 60.20 C ATOM 102 CD2 LEU A 6 -0.454 -0.432 4.871 1.00 61.12 C ATOM 0 H LEU A 6 0.177 0.932 0.954 1.00 31.22 H new ATOM 0 HA LEU A 6 1.368 -0.907 2.945 1.00 34.11 H new ATOM 0 HB2 LEU A 6 -1.347 -0.900 1.565 1.00 64.03 H new ATOM 0 HB3 LEU A 6 -0.799 -2.122 2.695 1.00 64.03 H new ATOM 0 HG LEU A 6 -1.269 0.810 3.335 1.00 61.43 H new ATOM 0 HD11 LEU A 6 -3.146 -0.037 4.700 1.00 60.20 H new ATOM 0 HD12 LEU A 6 -3.350 -0.434 2.977 1.00 60.20 H new ATOM 0 HD13 LEU A 6 -2.815 -1.687 4.122 1.00 60.20 H new ATOM 0 HD21 LEU A 6 -0.878 0.157 5.684 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -0.447 -1.486 5.151 1.00 61.12 H new ATOM 0 HD23 LEU A 6 0.566 -0.101 4.678 1.00 61.12 H new ATOM 114 N ILE A 7 1.974 -2.720 1.312 1.00 63.04 N ATOM 115 CA ILE A 7 2.500 -3.670 0.324 1.00 43.21 C ATOM 116 C ILE A 7 2.083 -5.120 0.637 1.00 63.21 C ATOM 117 O ILE A 7 2.274 -5.611 1.751 1.00 15.14 O ATOM 118 CB ILE A 7 4.046 -3.575 0.230 1.00 73.41 C ATOM 119 CG1 ILE A 7 4.593 -4.612 -0.763 1.00 34.34 C ATOM 120 CG2 ILE A 7 4.687 -3.747 1.606 1.00 51.35 C ATOM 121 CD1 ILE A 7 6.097 -4.569 -0.921 1.00 1.50 C ATOM 0 H ILE A 7 2.259 -2.909 2.273 1.00 63.04 H new ATOM 0 HA ILE A 7 2.067 -3.396 -0.638 1.00 43.21 H new ATOM 0 HB ILE A 7 4.304 -2.582 -0.138 1.00 73.41 H new ATOM 0 HG12 ILE A 7 4.300 -5.608 -0.432 1.00 34.34 H new ATOM 0 HG13 ILE A 7 4.130 -4.450 -1.736 1.00 34.34 H new ATOM 0 HG21 ILE A 7 5.771 -3.677 1.514 1.00 51.35 H new ATOM 0 HG22 ILE A 7 4.328 -2.965 2.275 1.00 51.35 H new ATOM 0 HG23 ILE A 7 4.420 -4.723 2.012 1.00 51.35 H new ATOM 0 HD11 ILE A 7 6.409 -5.329 -1.637 1.00 1.50 H new ATOM 0 HD12 ILE A 7 6.397 -3.585 -1.282 1.00 1.50 H new ATOM 0 HD13 ILE A 7 6.570 -4.762 0.042 1.00 1.50 H new ATOM 133 N ILE A 8 1.505 -5.795 -0.360 1.00 55.42 N ATOM 134 CA ILE A 8 1.073 -7.192 -0.226 1.00 11.24 C ATOM 135 C ILE A 8 1.788 -8.087 -1.252 1.00 15.21 C ATOM 136 O ILE A 8 1.467 -8.057 -2.444 1.00 73.42 O ATOM 137 CB ILE A 8 -0.461 -7.321 -0.433 1.00 14.31 C ATOM 138 CG1 ILE A 8 -1.217 -6.367 0.508 1.00 32.54 C ATOM 139 CG2 ILE A 8 -0.916 -8.768 -0.218 1.00 52.05 C ATOM 140 CD1 ILE A 8 -2.710 -6.313 0.254 1.00 64.22 C ATOM 0 H ILE A 8 1.323 -5.392 -1.279 1.00 55.42 H new ATOM 0 HA ILE A 8 1.331 -7.516 0.782 1.00 11.24 H new ATOM 0 HB ILE A 8 -0.692 -7.041 -1.461 1.00 14.31 H new ATOM 0 HG12 ILE A 8 -1.044 -6.676 1.539 1.00 32.54 H new ATOM 0 HG13 ILE A 8 -0.803 -5.364 0.402 1.00 32.54 H new ATOM 0 HG21 ILE A 8 -1.993 -8.837 -0.368 1.00 52.05 H new ATOM 0 HG22 ILE A 8 -0.409 -9.419 -0.930 1.00 52.05 H new ATOM 0 HG23 ILE A 8 -0.670 -9.080 0.797 1.00 52.05 H new ATOM 0 HD11 ILE A 8 -3.174 -5.620 0.956 1.00 64.22 H new ATOM 0 HD12 ILE A 8 -2.894 -5.974 -0.766 1.00 64.22 H new ATOM 0 HD13 ILE A 8 -3.138 -7.306 0.389 1.00 64.22 H new ATOM 152 N SER A 9 2.756 -8.879 -0.794 1.00 61.33 N ATOM 153 CA SER A 9 3.509 -9.772 -1.691 1.00 54.04 C ATOM 154 C SER A 9 4.199 -10.907 -0.926 1.00 10.32 C ATOM 155 O SER A 9 4.380 -10.840 0.290 1.00 42.44 O ATOM 156 CB SER A 9 4.562 -8.993 -2.495 1.00 34.21 C ATOM 157 OG SER A 9 5.281 -9.857 -3.368 1.00 72.14 O ATOM 0 H SER A 9 3.040 -8.925 0.184 1.00 61.33 H new ATOM 0 HA SER A 9 2.780 -10.207 -2.374 1.00 54.04 H new ATOM 0 HB2 SER A 9 4.075 -8.209 -3.074 1.00 34.21 H new ATOM 0 HB3 SER A 9 5.255 -8.501 -1.812 1.00 34.21 H new ATOM 0 HG SER A 9 5.944 -9.338 -3.870 1.00 72.14 H new ATOM 163 N ASN A 10 4.586 -11.945 -1.660 1.00 64.33 N ATOM 164 CA ASN A 10 5.271 -13.110 -1.086 1.00 1.30 C ATOM 165 C ASN A 10 6.800 -12.934 -1.146 1.00 23.52 C ATOM 166 O ASN A 10 7.535 -13.479 -0.316 1.00 74.22 O ATOM 167 CB ASN A 10 4.848 -14.377 -1.852 1.00 34.22 C ATOM 168 CG ASN A 10 5.497 -15.657 -1.344 1.00 52.45 C ATOM 169 OD1 ASN A 10 5.768 -16.572 -2.113 1.00 13.14 O ATOM 170 ND2 ASN A 10 5.728 -15.750 -0.049 1.00 54.33 N ATOM 0 H ASN A 10 4.437 -12.008 -2.667 1.00 64.33 H new ATOM 0 HA ASN A 10 4.987 -13.206 -0.038 1.00 1.30 H new ATOM 0 HB2 ASN A 10 3.765 -14.482 -1.789 1.00 34.22 H new ATOM 0 HB3 ASN A 10 5.095 -14.251 -2.906 1.00 34.22 H new ATOM 0 HD21 ASN A 10 6.142 -16.599 0.335 1.00 54.33 H new ATOM 0 HD22 ASN A 10 5.492 -14.973 0.568 1.00 54.33 H new ATOM 177 N ASP A 11 7.263 -12.148 -2.118 1.00 24.25 N ATOM 178 CA ASP A 11 8.699 -11.963 -2.364 1.00 35.34 C ATOM 179 C ASP A 11 9.315 -10.881 -1.466 1.00 13.24 C ATOM 180 O ASP A 11 8.984 -9.699 -1.578 1.00 45.12 O ATOM 181 CB ASP A 11 8.929 -11.593 -3.830 1.00 75.31 C ATOM 182 CG ASP A 11 8.435 -12.667 -4.774 1.00 34.42 C ATOM 183 OD1 ASP A 11 9.194 -13.623 -5.037 1.00 52.42 O ATOM 184 OD2 ASP A 11 7.291 -12.560 -5.256 1.00 0.22 O ATOM 0 H ASP A 11 6.662 -11.624 -2.754 1.00 24.25 H new ATOM 0 HA ASP A 11 9.189 -12.907 -2.127 1.00 35.34 H new ATOM 0 HB2 ASP A 11 8.419 -10.655 -4.051 1.00 75.31 H new ATOM 0 HB3 ASP A 11 9.993 -11.425 -3.998 1.00 75.31 H new ATOM 189 N LYS A 12 10.243 -11.286 -0.602 1.00 32.03 N ATOM 190 CA LYS A 12 10.958 -10.338 0.263 1.00 44.42 C ATOM 191 C LYS A 12 11.853 -9.412 -0.568 1.00 70.43 C ATOM 192 O LYS A 12 12.140 -8.287 -0.165 1.00 3.13 O ATOM 193 CB LYS A 12 11.792 -11.075 1.329 1.00 12.21 C ATOM 194 CG LYS A 12 10.955 -11.741 2.424 1.00 30.33 C ATOM 195 CD LYS A 12 10.069 -12.852 1.868 1.00 4.11 C ATOM 196 CE LYS A 12 9.095 -13.391 2.905 1.00 54.40 C ATOM 197 NZ LYS A 12 8.160 -14.381 2.310 1.00 34.30 N ATOM 0 H LYS A 12 10.520 -12.260 -0.479 1.00 32.03 H new ATOM 0 HA LYS A 12 10.212 -9.731 0.776 1.00 44.42 H new ATOM 0 HB2 LYS A 12 12.400 -11.835 0.838 1.00 12.21 H new ATOM 0 HB3 LYS A 12 12.479 -10.367 1.792 1.00 12.21 H new ATOM 0 HG2 LYS A 12 11.616 -12.152 3.187 1.00 30.33 H new ATOM 0 HG3 LYS A 12 10.333 -10.991 2.912 1.00 30.33 H new ATOM 0 HD2 LYS A 12 9.511 -12.474 1.012 1.00 4.11 H new ATOM 0 HD3 LYS A 12 10.696 -13.666 1.505 1.00 4.11 H new ATOM 0 HE2 LYS A 12 9.650 -13.857 3.720 1.00 54.40 H new ATOM 0 HE3 LYS A 12 8.528 -12.566 3.336 1.00 54.40 H new ATOM 0 HZ1 LYS A 12 7.306 -14.450 2.899 1.00 34.30 H new ATOM 0 HZ2 LYS A 12 7.896 -14.076 1.351 1.00 34.30 H new ATOM 0 HZ3 LYS A 12 8.623 -15.311 2.262 1.00 34.30 H new ATOM 211 N LYS A 13 12.282 -9.892 -1.739 1.00 34.14 N ATOM 212 CA LYS A 13 13.042 -9.061 -2.682 1.00 71.44 C ATOM 213 C LYS A 13 12.243 -7.801 -3.045 1.00 22.25 C ATOM 214 O LYS A 13 12.771 -6.691 -3.058 1.00 43.01 O ATOM 215 CB LYS A 13 13.380 -9.839 -3.971 1.00 11.41 C ATOM 216 CG LYS A 13 14.165 -11.138 -3.749 1.00 21.44 C ATOM 217 CD LYS A 13 13.259 -12.374 -3.738 1.00 74.55 C ATOM 218 CE LYS A 13 12.658 -12.657 -5.115 1.00 0.22 C ATOM 219 NZ LYS A 13 11.847 -13.907 -5.134 1.00 41.51 N ATOM 0 H LYS A 13 12.118 -10.847 -2.057 1.00 34.14 H new ATOM 0 HA LYS A 13 13.974 -8.777 -2.193 1.00 71.44 H new ATOM 0 HB2 LYS A 13 12.451 -10.076 -4.490 1.00 11.41 H new ATOM 0 HB3 LYS A 13 13.957 -9.190 -4.630 1.00 11.41 H new ATOM 0 HG2 LYS A 13 14.913 -11.246 -4.535 1.00 21.44 H new ATOM 0 HG3 LYS A 13 14.703 -11.077 -2.803 1.00 21.44 H new ATOM 0 HD2 LYS A 13 13.832 -13.240 -3.408 1.00 74.55 H new ATOM 0 HD3 LYS A 13 12.456 -12.228 -3.015 1.00 74.55 H new ATOM 0 HE2 LYS A 13 12.032 -11.816 -5.415 1.00 0.22 H new ATOM 0 HE3 LYS A 13 13.460 -12.736 -5.849 1.00 0.22 H new ATOM 0 HZ1 LYS A 13 11.887 -14.332 -6.082 1.00 41.51 H new ATOM 0 HZ2 LYS A 13 12.228 -14.579 -4.437 1.00 41.51 H new ATOM 0 HZ3 LYS A 13 10.860 -13.684 -4.896 1.00 41.51 H new ATOM 233 N LEU A 14 10.959 -7.994 -3.331 1.00 61.10 N ATOM 234 CA LEU A 14 10.067 -6.889 -3.694 1.00 24.53 C ATOM 235 C LEU A 14 9.724 -6.035 -2.457 1.00 62.13 C ATOM 236 O LEU A 14 9.612 -4.811 -2.545 1.00 45.00 O ATOM 237 CB LEU A 14 8.798 -7.467 -4.360 1.00 51.44 C ATOM 238 CG LEU A 14 7.864 -6.460 -5.070 1.00 70.41 C ATOM 239 CD1 LEU A 14 7.058 -7.163 -6.160 1.00 3.50 C ATOM 240 CD2 LEU A 14 6.917 -5.787 -4.080 1.00 14.43 C ATOM 0 H LEU A 14 10.508 -8.909 -3.319 1.00 61.10 H new ATOM 0 HA LEU A 14 10.566 -6.230 -4.404 1.00 24.53 H new ATOM 0 HB2 LEU A 14 9.108 -8.216 -5.089 1.00 51.44 H new ATOM 0 HB3 LEU A 14 8.220 -7.986 -3.596 1.00 51.44 H new ATOM 0 HG LEU A 14 8.489 -5.690 -5.522 1.00 70.41 H new ATOM 0 HD11 LEU A 14 6.405 -6.442 -6.652 1.00 3.50 H new ATOM 0 HD12 LEU A 14 7.738 -7.596 -6.894 1.00 3.50 H new ATOM 0 HD13 LEU A 14 6.455 -7.954 -5.714 1.00 3.50 H new ATOM 0 HD21 LEU A 14 6.274 -5.085 -4.611 1.00 14.43 H new ATOM 0 HD22 LEU A 14 6.303 -6.544 -3.592 1.00 14.43 H new ATOM 0 HD23 LEU A 14 7.497 -5.251 -3.329 1.00 14.43 H new ATOM 252 N ILE A 15 9.584 -6.692 -1.304 1.00 23.31 N ATOM 253 CA ILE A 15 9.248 -6.009 -0.047 1.00 14.24 C ATOM 254 C ILE A 15 10.360 -5.047 0.417 1.00 1.20 C ATOM 255 O ILE A 15 10.107 -3.863 0.655 1.00 51.33 O ATOM 256 CB ILE A 15 8.955 -7.031 1.084 1.00 21.21 C ATOM 257 CG1 ILE A 15 7.736 -7.900 0.720 1.00 2.50 C ATOM 258 CG2 ILE A 15 8.736 -6.321 2.421 1.00 71.14 C ATOM 259 CD1 ILE A 15 7.413 -8.966 1.747 1.00 32.11 C ATOM 0 H ILE A 15 9.698 -7.701 -1.212 1.00 23.31 H new ATOM 0 HA ILE A 15 8.353 -5.422 -0.252 1.00 14.24 H new ATOM 0 HB ILE A 15 9.823 -7.681 1.190 1.00 21.21 H new ATOM 0 HG12 ILE A 15 6.867 -7.255 0.595 1.00 2.50 H new ATOM 0 HG13 ILE A 15 7.918 -8.379 -0.242 1.00 2.50 H new ATOM 0 HG21 ILE A 15 8.533 -7.060 3.196 1.00 71.14 H new ATOM 0 HG22 ILE A 15 9.630 -5.756 2.684 1.00 71.14 H new ATOM 0 HG23 ILE A 15 7.889 -5.640 2.337 1.00 71.14 H new ATOM 0 HD11 ILE A 15 6.543 -9.535 1.419 1.00 32.11 H new ATOM 0 HD12 ILE A 15 8.266 -9.636 1.856 1.00 32.11 H new ATOM 0 HD13 ILE A 15 7.198 -8.494 2.706 1.00 32.11 H new ATOM 271 N GLU A 16 11.587 -5.557 0.549 1.00 24.21 N ATOM 272 CA GLU A 16 12.707 -4.749 1.053 1.00 23.51 C ATOM 273 C GLU A 16 13.034 -3.580 0.108 1.00 45.14 C ATOM 274 O GLU A 16 13.251 -2.451 0.558 1.00 65.53 O ATOM 275 CB GLU A 16 13.950 -5.625 1.266 1.00 45.02 C ATOM 276 CG GLU A 16 13.733 -6.789 2.234 1.00 1.22 C ATOM 277 CD GLU A 16 13.163 -6.352 3.577 1.00 24.13 C ATOM 278 OE1 GLU A 16 13.833 -5.572 4.294 1.00 14.13 O ATOM 279 OE2 GLU A 16 12.047 -6.791 3.929 1.00 31.43 O ATOM 0 H GLU A 16 11.832 -6.519 0.316 1.00 24.21 H new ATOM 0 HA GLU A 16 12.402 -4.327 2.011 1.00 23.51 H new ATOM 0 HB2 GLU A 16 14.271 -6.022 0.303 1.00 45.02 H new ATOM 0 HB3 GLU A 16 14.762 -5.001 1.640 1.00 45.02 H new ATOM 0 HG2 GLU A 16 13.057 -7.512 1.777 1.00 1.22 H new ATOM 0 HG3 GLU A 16 14.682 -7.299 2.398 1.00 1.22 H new ATOM 286 N GLU A 17 13.063 -3.847 -1.198 1.00 12.53 N ATOM 287 CA GLU A 17 13.295 -2.790 -2.192 1.00 63.21 C ATOM 288 C GLU A 17 12.223 -1.693 -2.100 1.00 44.54 C ATOM 289 O GLU A 17 12.517 -0.501 -2.244 1.00 2.42 O ATOM 290 CB GLU A 17 13.334 -3.378 -3.610 1.00 72.54 C ATOM 291 CG GLU A 17 14.531 -4.288 -3.873 1.00 65.32 C ATOM 292 CD GLU A 17 15.869 -3.599 -3.631 1.00 12.43 C ATOM 293 OE1 GLU A 17 16.145 -2.576 -4.292 1.00 62.14 O ATOM 294 OE2 GLU A 17 16.658 -4.078 -2.788 1.00 35.25 O ATOM 0 H GLU A 17 12.930 -4.778 -1.594 1.00 12.53 H new ATOM 0 HA GLU A 17 14.262 -2.337 -1.974 1.00 63.21 H new ATOM 0 HB2 GLU A 17 12.417 -3.942 -3.784 1.00 72.54 H new ATOM 0 HB3 GLU A 17 13.347 -2.560 -4.331 1.00 72.54 H new ATOM 0 HG2 GLU A 17 14.460 -5.167 -3.232 1.00 65.32 H new ATOM 0 HG3 GLU A 17 14.492 -4.641 -4.903 1.00 65.32 H new ATOM 301 N ALA A 18 10.979 -2.102 -1.858 1.00 13.40 N ATOM 302 CA ALA A 18 9.881 -1.155 -1.641 1.00 64.41 C ATOM 303 C ALA A 18 10.135 -0.293 -0.392 1.00 10.45 C ATOM 304 O ALA A 18 9.953 0.926 -0.419 1.00 14.10 O ATOM 305 CB ALA A 18 8.555 -1.901 -1.524 1.00 24.10 C ATOM 0 H ALA A 18 10.704 -3.083 -1.807 1.00 13.40 H new ATOM 0 HA ALA A 18 9.829 -0.487 -2.501 1.00 64.41 H new ATOM 0 HB1 ALA A 18 7.748 -1.186 -1.363 1.00 24.10 H new ATOM 0 HB2 ALA A 18 8.369 -2.458 -2.442 1.00 24.10 H new ATOM 0 HB3 ALA A 18 8.600 -2.593 -0.683 1.00 24.10 H new ATOM 311 N ARG A 19 10.566 -0.936 0.696 1.00 31.35 N ATOM 312 CA ARG A 19 10.949 -0.222 1.925 1.00 4.40 C ATOM 313 C ARG A 19 11.992 0.866 1.624 1.00 24.52 C ATOM 314 O ARG A 19 11.847 2.018 2.041 1.00 22.14 O ATOM 315 CB ARG A 19 11.524 -1.205 2.958 1.00 14.31 C ATOM 316 CG ARG A 19 10.507 -2.164 3.569 1.00 55.33 C ATOM 317 CD ARG A 19 11.181 -3.134 4.541 1.00 73.33 C ATOM 318 NE ARG A 19 10.223 -3.817 5.410 1.00 62.12 N ATOM 319 CZ ARG A 19 10.539 -4.773 6.244 1.00 61.23 C ATOM 320 NH1 ARG A 19 11.739 -5.264 6.273 1.00 74.43 N ATOM 321 NH2 ARG A 19 9.637 -5.258 7.036 1.00 42.04 N ATOM 0 H ARG A 19 10.660 -1.950 0.755 1.00 31.35 H new ATOM 0 HA ARG A 19 10.053 0.249 2.331 1.00 4.40 H new ATOM 0 HB2 ARG A 19 12.312 -1.789 2.483 1.00 14.31 H new ATOM 0 HB3 ARG A 19 11.991 -0.634 3.761 1.00 14.31 H new ATOM 0 HG2 ARG A 19 9.736 -1.597 4.091 1.00 55.33 H new ATOM 0 HG3 ARG A 19 10.009 -2.724 2.777 1.00 55.33 H new ATOM 0 HD2 ARG A 19 11.745 -3.875 3.975 1.00 73.33 H new ATOM 0 HD3 ARG A 19 11.897 -2.588 5.155 1.00 73.33 H new ATOM 0 HE ARG A 19 9.246 -3.529 5.362 1.00 62.12 H new ATOM 0 HH11 ARG A 19 12.453 -4.904 5.639 1.00 74.43 H new ATOM 0 HH12 ARG A 19 11.969 -6.010 6.930 1.00 74.43 H new ATOM 0 HH21 ARG A 19 8.684 -4.894 7.008 1.00 42.04 H new ATOM 0 HH22 ARG A 19 9.879 -6.004 7.688 1.00 42.04 H new ATOM 335 N LYS A 20 13.033 0.484 0.888 1.00 41.21 N ATOM 336 CA LYS A 20 14.104 1.407 0.495 1.00 50.45 C ATOM 337 C LYS A 20 13.548 2.651 -0.221 1.00 32.25 C ATOM 338 O LYS A 20 13.887 3.786 0.125 1.00 4.22 O ATOM 339 CB LYS A 20 15.106 0.678 -0.415 1.00 61.21 C ATOM 340 CG LYS A 20 15.864 -0.457 0.278 1.00 31.40 C ATOM 341 CD LYS A 20 16.594 -1.356 -0.719 1.00 21.13 C ATOM 342 CE LYS A 20 17.516 -0.570 -1.645 1.00 60.31 C ATOM 343 NZ LYS A 20 18.166 -1.450 -2.654 1.00 62.10 N ATOM 0 H LYS A 20 13.161 -0.469 0.547 1.00 41.21 H new ATOM 0 HA LYS A 20 14.608 1.745 1.400 1.00 50.45 H new ATOM 0 HB2 LYS A 20 14.572 0.273 -1.275 1.00 61.21 H new ATOM 0 HB3 LYS A 20 15.826 1.401 -0.798 1.00 61.21 H new ATOM 0 HG2 LYS A 20 16.584 -0.036 0.980 1.00 31.40 H new ATOM 0 HG3 LYS A 20 15.164 -1.056 0.861 1.00 31.40 H new ATOM 0 HD2 LYS A 20 17.178 -2.098 -0.175 1.00 21.13 H new ATOM 0 HD3 LYS A 20 15.863 -1.901 -1.316 1.00 21.13 H new ATOM 0 HE2 LYS A 20 16.945 0.206 -2.154 1.00 60.31 H new ATOM 0 HE3 LYS A 20 18.282 -0.067 -1.054 1.00 60.31 H new ATOM 0 HZ1 LYS A 20 18.993 -0.965 -3.056 1.00 62.10 H new ATOM 0 HZ2 LYS A 20 18.471 -2.334 -2.199 1.00 62.10 H new ATOM 0 HZ3 LYS A 20 17.489 -1.667 -3.413 1.00 62.10 H new ATOM 357 N MET A 21 12.683 2.433 -1.212 1.00 61.15 N ATOM 358 CA MET A 21 12.095 3.541 -1.979 1.00 61.13 C ATOM 359 C MET A 21 11.115 4.373 -1.148 1.00 45.45 C ATOM 360 O MET A 21 10.992 5.580 -1.358 1.00 3.45 O ATOM 361 CB MET A 21 11.411 3.022 -3.246 1.00 54.41 C ATOM 362 CG MET A 21 12.390 2.765 -4.376 1.00 74.40 C ATOM 363 SD MET A 21 13.322 4.244 -4.828 1.00 70.32 S ATOM 364 CE MET A 21 11.998 5.363 -5.286 1.00 12.34 C ATOM 0 H MET A 21 12.373 1.506 -1.504 1.00 61.15 H new ATOM 0 HA MET A 21 12.917 4.198 -2.262 1.00 61.13 H new ATOM 0 HB2 MET A 21 10.879 2.099 -3.015 1.00 54.41 H new ATOM 0 HB3 MET A 21 10.665 3.746 -3.574 1.00 54.41 H new ATOM 0 HG2 MET A 21 13.084 1.978 -4.080 1.00 74.40 H new ATOM 0 HG3 MET A 21 11.847 2.400 -5.248 1.00 74.40 H new ATOM 0 HE1 MET A 21 12.403 6.183 -5.879 1.00 12.34 H new ATOM 0 HE2 MET A 21 11.253 4.825 -5.872 1.00 12.34 H new ATOM 0 HE3 MET A 21 11.532 5.763 -4.386 1.00 12.34 H new ATOM 374 N ALA A 22 10.422 3.734 -0.210 1.00 5.05 N ATOM 375 CA ALA A 22 9.548 4.456 0.718 1.00 44.23 C ATOM 376 C ALA A 22 10.342 5.541 1.454 1.00 0.00 C ATOM 377 O ALA A 22 9.890 6.677 1.594 1.00 74.34 O ATOM 378 CB ALA A 22 8.909 3.495 1.712 1.00 21.10 C ATOM 0 H ALA A 22 10.446 2.724 -0.070 1.00 5.05 H new ATOM 0 HA ALA A 22 8.752 4.932 0.146 1.00 44.23 H new ATOM 0 HB1 ALA A 22 8.264 4.051 2.392 1.00 21.10 H new ATOM 0 HB2 ALA A 22 8.317 2.755 1.174 1.00 21.10 H new ATOM 0 HB3 ALA A 22 9.689 2.990 2.283 1.00 21.10 H new ATOM 384 N GLU A 23 11.546 5.182 1.895 1.00 2.23 N ATOM 385 CA GLU A 23 12.452 6.132 2.547 1.00 62.50 C ATOM 386 C GLU A 23 12.922 7.214 1.561 1.00 22.45 C ATOM 387 O GLU A 23 13.004 8.395 1.912 1.00 60.00 O ATOM 388 CB GLU A 23 13.664 5.397 3.129 1.00 55.41 C ATOM 389 CG GLU A 23 13.296 4.251 4.061 1.00 14.24 C ATOM 390 CD GLU A 23 14.511 3.606 4.706 1.00 55.44 C ATOM 391 OE1 GLU A 23 15.180 2.780 4.044 1.00 40.55 O ATOM 392 OE2 GLU A 23 14.810 3.932 5.873 1.00 13.24 O ATOM 0 H GLU A 23 11.920 4.237 1.813 1.00 2.23 H new ATOM 0 HA GLU A 23 11.904 6.617 3.355 1.00 62.50 H new ATOM 0 HB2 GLU A 23 14.269 5.008 2.310 1.00 55.41 H new ATOM 0 HB3 GLU A 23 14.284 6.110 3.672 1.00 55.41 H new ATOM 0 HG2 GLU A 23 12.630 4.622 4.840 1.00 14.24 H new ATOM 0 HG3 GLU A 23 12.743 3.496 3.501 1.00 14.24 H new ATOM 399 N LYS A 24 13.223 6.806 0.325 1.00 54.33 N ATOM 400 CA LYS A 24 13.656 7.743 -0.724 1.00 74.52 C ATOM 401 C LYS A 24 12.534 8.733 -1.093 1.00 62.10 C ATOM 402 O LYS A 24 12.798 9.846 -1.555 1.00 33.31 O ATOM 403 CB LYS A 24 14.097 6.979 -1.985 1.00 54.33 C ATOM 404 CG LYS A 24 15.222 5.971 -1.756 1.00 23.50 C ATOM 405 CD LYS A 24 16.538 6.626 -1.323 1.00 43.23 C ATOM 406 CE LYS A 24 17.197 7.442 -2.440 1.00 24.21 C ATOM 407 NZ LYS A 24 16.517 8.744 -2.687 1.00 10.32 N ATOM 0 H LYS A 24 13.176 5.833 0.023 1.00 54.33 H new ATOM 0 HA LYS A 24 14.500 8.306 -0.327 1.00 74.52 H new ATOM 0 HB2 LYS A 24 13.235 6.454 -2.396 1.00 54.33 H new ATOM 0 HB3 LYS A 24 14.420 7.700 -2.736 1.00 54.33 H new ATOM 0 HG2 LYS A 24 14.911 5.256 -0.994 1.00 23.50 H new ATOM 0 HG3 LYS A 24 15.389 5.407 -2.674 1.00 23.50 H new ATOM 0 HD2 LYS A 24 16.350 7.276 -0.468 1.00 43.23 H new ATOM 0 HD3 LYS A 24 17.230 5.853 -0.989 1.00 43.23 H new ATOM 0 HE2 LYS A 24 18.240 7.626 -2.181 1.00 24.21 H new ATOM 0 HE3 LYS A 24 17.195 6.857 -3.360 1.00 24.21 H new ATOM 0 HZ1 LYS A 24 16.031 8.713 -3.606 1.00 10.32 H new ATOM 0 HZ2 LYS A 24 15.822 8.921 -1.934 1.00 10.32 H new ATOM 0 HZ3 LYS A 24 17.222 9.508 -2.694 1.00 10.32 H new ATOM 421 N ALA A 25 11.285 8.309 -0.906 1.00 73.41 N ATOM 422 CA ALA A 25 10.120 9.154 -1.193 1.00 61.44 C ATOM 423 C ALA A 25 9.602 9.873 0.065 1.00 51.35 C ATOM 424 O ALA A 25 8.668 10.673 -0.013 1.00 50.10 O ATOM 425 CB ALA A 25 9.012 8.313 -1.818 1.00 24.12 C ATOM 0 H ALA A 25 11.050 7.380 -0.555 1.00 73.41 H new ATOM 0 HA ALA A 25 10.434 9.924 -1.897 1.00 61.44 H new ATOM 0 HB1 ALA A 25 8.150 8.946 -2.029 1.00 24.12 H new ATOM 0 HB2 ALA A 25 9.372 7.869 -2.746 1.00 24.12 H new ATOM 0 HB3 ALA A 25 8.721 7.522 -1.126 1.00 24.12 H new ATOM 431 N ASN A 26 10.220 9.588 1.217 1.00 15.11 N ATOM 432 CA ASN A 26 9.827 10.191 2.503 1.00 53.13 C ATOM 433 C ASN A 26 8.405 9.767 2.921 1.00 21.21 C ATOM 434 O ASN A 26 7.683 10.531 3.569 1.00 24.32 O ATOM 435 CB ASN A 26 9.928 11.725 2.443 1.00 75.22 C ATOM 436 CG ASN A 26 11.326 12.203 2.097 1.00 5.40 C ATOM 437 OD1 ASN A 26 12.164 12.392 2.971 1.00 24.51 O ATOM 438 ND2 ASN A 26 11.585 12.414 0.823 1.00 20.52 N ATOM 0 H ASN A 26 11.002 8.937 1.288 1.00 15.11 H new ATOM 0 HA ASN A 26 10.522 9.822 3.257 1.00 53.13 H new ATOM 0 HB2 ASN A 26 9.224 12.103 1.701 1.00 75.22 H new ATOM 0 HB3 ASN A 26 9.632 12.143 3.405 1.00 75.22 H new ATOM 0 HD21 ASN A 26 12.507 12.745 0.538 1.00 20.52 H new ATOM 0 HD22 ASN A 26 10.864 12.246 0.121 1.00 20.52 H new ATOM 445 N LEU A 27 8.023 8.540 2.567 1.00 32.24 N ATOM 446 CA LEU A 27 6.689 8.008 2.883 1.00 70.53 C ATOM 447 C LEU A 27 6.767 6.822 3.867 1.00 35.10 C ATOM 448 O LEU A 27 7.787 6.132 3.949 1.00 62.34 O ATOM 449 CB LEU A 27 5.990 7.555 1.589 1.00 30.10 C ATOM 450 CG LEU A 27 5.922 8.606 0.467 1.00 23.41 C ATOM 451 CD1 LEU A 27 5.208 8.045 -0.761 1.00 40.32 C ATOM 452 CD2 LEU A 27 5.239 9.882 0.957 1.00 74.43 C ATOM 0 H LEU A 27 8.620 7.889 2.058 1.00 32.24 H new ATOM 0 HA LEU A 27 6.117 8.805 3.358 1.00 70.53 H new ATOM 0 HB2 LEU A 27 6.507 6.675 1.207 1.00 30.10 H new ATOM 0 HB3 LEU A 27 4.974 7.246 1.835 1.00 30.10 H new ATOM 0 HG LEU A 27 6.942 8.858 0.179 1.00 23.41 H new ATOM 0 HD11 LEU A 27 5.172 8.806 -1.540 1.00 40.32 H new ATOM 0 HD12 LEU A 27 5.749 7.173 -1.130 1.00 40.32 H new ATOM 0 HD13 LEU A 27 4.193 7.755 -0.491 1.00 40.32 H new ATOM 0 HD21 LEU A 27 5.203 10.610 0.146 1.00 74.43 H new ATOM 0 HD22 LEU A 27 4.225 9.650 1.282 1.00 74.43 H new ATOM 0 HD23 LEU A 27 5.802 10.298 1.793 1.00 74.43 H new ATOM 464 N GLU A 28 5.680 6.584 4.604 1.00 65.32 N ATOM 465 CA GLU A 28 5.603 5.445 5.532 1.00 33.55 C ATOM 466 C GLU A 28 5.085 4.176 4.829 1.00 54.43 C ATOM 467 O GLU A 28 3.975 4.159 4.300 1.00 21.51 O ATOM 468 CB GLU A 28 4.688 5.770 6.727 1.00 53.51 C ATOM 469 CG GLU A 28 5.250 6.803 7.704 1.00 55.42 C ATOM 470 CD GLU A 28 5.364 8.199 7.116 1.00 34.22 C ATOM 471 OE1 GLU A 28 4.319 8.841 6.890 1.00 45.14 O ATOM 472 OE2 GLU A 28 6.500 8.672 6.900 1.00 23.31 O ATOM 0 H GLU A 28 4.840 7.162 4.579 1.00 65.32 H new ATOM 0 HA GLU A 28 6.615 5.259 5.891 1.00 33.55 H new ATOM 0 HB2 GLU A 28 3.733 6.132 6.347 1.00 53.51 H new ATOM 0 HB3 GLU A 28 4.485 4.848 7.272 1.00 53.51 H new ATOM 0 HG2 GLU A 28 4.611 6.841 8.586 1.00 55.42 H new ATOM 0 HG3 GLU A 28 6.235 6.477 8.037 1.00 55.42 H new ATOM 479 N LEU A 29 5.887 3.111 4.839 1.00 23.14 N ATOM 480 CA LEU A 29 5.485 1.832 4.232 1.00 32.31 C ATOM 481 C LEU A 29 5.240 0.751 5.302 1.00 54.45 C ATOM 482 O LEU A 29 5.989 0.642 6.275 1.00 12.14 O ATOM 483 CB LEU A 29 6.555 1.372 3.224 1.00 4.22 C ATOM 484 CG LEU A 29 6.248 0.067 2.453 1.00 13.44 C ATOM 485 CD1 LEU A 29 6.877 0.102 1.065 1.00 72.14 C ATOM 486 CD2 LEU A 29 6.749 -1.163 3.216 1.00 65.21 C ATOM 0 H LEU A 29 6.817 3.104 5.258 1.00 23.14 H new ATOM 0 HA LEU A 29 4.543 1.985 3.705 1.00 32.31 H new ATOM 0 HB2 LEU A 29 6.709 2.171 2.499 1.00 4.22 H new ATOM 0 HB3 LEU A 29 7.496 1.241 3.758 1.00 4.22 H new ATOM 0 HG LEU A 29 5.165 -0.007 2.354 1.00 13.44 H new ATOM 0 HD11 LEU A 29 6.649 -0.825 0.539 1.00 72.14 H new ATOM 0 HD12 LEU A 29 6.474 0.946 0.504 1.00 72.14 H new ATOM 0 HD13 LEU A 29 7.958 0.211 1.158 1.00 72.14 H new ATOM 0 HD21 LEU A 29 6.517 -2.063 2.647 1.00 65.21 H new ATOM 0 HD22 LEU A 29 7.827 -1.090 3.356 1.00 65.21 H new ATOM 0 HD23 LEU A 29 6.259 -1.212 4.188 1.00 65.21 H new ATOM 498 N ARG A 30 4.180 -0.037 5.115 1.00 24.10 N ATOM 499 CA ARG A 30 3.847 -1.148 6.021 1.00 44.11 C ATOM 500 C ARG A 30 3.475 -2.415 5.225 1.00 23.03 C ATOM 501 O ARG A 30 2.780 -2.343 4.208 1.00 61.52 O ATOM 502 CB ARG A 30 2.691 -0.745 6.954 1.00 52.30 C ATOM 503 CG ARG A 30 3.047 0.367 7.942 1.00 63.13 C ATOM 504 CD ARG A 30 4.042 -0.105 9.004 1.00 1.45 C ATOM 505 NE ARG A 30 4.587 1.008 9.781 1.00 63.54 N ATOM 506 CZ ARG A 30 4.758 0.996 11.073 1.00 21.35 C ATOM 507 NH1 ARG A 30 4.333 0.008 11.794 1.00 14.52 N ATOM 508 NH2 ARG A 30 5.336 1.994 11.651 1.00 44.01 N ATOM 0 H ARG A 30 3.529 0.072 4.337 1.00 24.10 H new ATOM 0 HA ARG A 30 4.727 -1.372 6.625 1.00 44.11 H new ATOM 0 HB2 ARG A 30 1.845 -0.421 6.348 1.00 52.30 H new ATOM 0 HB3 ARG A 30 2.366 -1.623 7.513 1.00 52.30 H new ATOM 0 HG2 ARG A 30 3.470 1.212 7.399 1.00 63.13 H new ATOM 0 HG3 ARG A 30 2.139 0.723 8.429 1.00 63.13 H new ATOM 0 HD2 ARG A 30 3.549 -0.808 9.675 1.00 1.45 H new ATOM 0 HD3 ARG A 30 4.858 -0.644 8.522 1.00 1.45 H new ATOM 0 HE ARG A 30 4.852 1.854 9.276 1.00 63.54 H new ATOM 0 HH11 ARG A 30 3.856 -0.778 11.352 1.00 14.52 H new ATOM 0 HH12 ARG A 30 4.476 0.015 12.804 1.00 14.52 H new ATOM 0 HH21 ARG A 30 5.657 2.788 11.097 1.00 44.01 H new ATOM 0 HH22 ARG A 30 5.472 1.989 12.662 1.00 44.01 H new ATOM 522 N THR A 31 3.947 -3.573 5.690 1.00 52.33 N ATOM 523 CA THR A 31 3.719 -4.850 4.990 1.00 55.31 C ATOM 524 C THR A 31 2.421 -5.540 5.431 1.00 24.21 C ATOM 525 O THR A 31 2.019 -5.463 6.593 1.00 4.44 O ATOM 526 CB THR A 31 4.897 -5.838 5.197 1.00 22.42 C ATOM 527 OG1 THR A 31 5.093 -6.103 6.596 1.00 1.34 O ATOM 528 CG2 THR A 31 6.185 -5.286 4.600 1.00 74.13 C ATOM 0 H THR A 31 4.491 -3.659 6.549 1.00 52.33 H new ATOM 0 HA THR A 31 3.639 -4.591 3.934 1.00 55.31 H new ATOM 0 HB THR A 31 4.643 -6.767 4.686 1.00 22.42 H new ATOM 0 HG1 THR A 31 5.838 -6.729 6.709 1.00 1.34 H new ATOM 0 HG21 THR A 31 6.994 -5.998 4.759 1.00 74.13 H new ATOM 0 HG22 THR A 31 6.050 -5.123 3.531 1.00 74.13 H new ATOM 0 HG23 THR A 31 6.434 -4.341 5.082 1.00 74.13 H new ATOM 536 N VAL A 32 1.768 -6.216 4.485 1.00 30.02 N ATOM 537 CA VAL A 32 0.522 -6.948 4.749 1.00 31.45 C ATOM 538 C VAL A 32 0.554 -8.336 4.090 1.00 63.11 C ATOM 539 O VAL A 32 0.968 -8.469 2.939 1.00 63.13 O ATOM 540 CB VAL A 32 -0.707 -6.174 4.204 1.00 43.12 C ATOM 541 CG1 VAL A 32 -2.002 -6.937 4.477 1.00 50.24 C ATOM 542 CG2 VAL A 32 -0.778 -4.765 4.788 1.00 71.45 C ATOM 0 H VAL A 32 2.084 -6.274 3.517 1.00 30.02 H new ATOM 0 HA VAL A 32 0.436 -7.054 5.830 1.00 31.45 H new ATOM 0 HB VAL A 32 -0.586 -6.085 3.124 1.00 43.12 H new ATOM 0 HG11 VAL A 32 -2.847 -6.372 4.084 1.00 50.24 H new ATOM 0 HG12 VAL A 32 -1.960 -7.911 3.990 1.00 50.24 H new ATOM 0 HG13 VAL A 32 -2.124 -7.073 5.551 1.00 50.24 H new ATOM 0 HG21 VAL A 32 -1.650 -4.248 4.387 1.00 71.45 H new ATOM 0 HG22 VAL A 32 -0.859 -4.825 5.873 1.00 71.45 H new ATOM 0 HG23 VAL A 32 0.124 -4.215 4.521 1.00 71.45 H new ATOM 552 N LYS A 33 0.124 -9.368 4.819 1.00 31.14 N ATOM 553 CA LYS A 33 0.045 -10.724 4.258 1.00 54.23 C ATOM 554 C LYS A 33 -1.413 -11.204 4.134 1.00 43.42 C ATOM 555 O LYS A 33 -1.776 -11.855 3.154 1.00 50.41 O ATOM 556 CB LYS A 33 0.840 -11.719 5.119 1.00 0.10 C ATOM 557 CG LYS A 33 2.301 -11.328 5.341 1.00 11.12 C ATOM 558 CD LYS A 33 3.045 -12.382 6.160 1.00 45.41 C ATOM 559 CE LYS A 33 4.439 -11.919 6.571 1.00 51.51 C ATOM 560 NZ LYS A 33 5.134 -12.940 7.401 1.00 63.11 N ATOM 0 H LYS A 33 -0.173 -9.295 5.792 1.00 31.14 H new ATOM 0 HA LYS A 33 0.481 -10.682 3.260 1.00 54.23 H new ATOM 0 HB2 LYS A 33 0.350 -11.816 6.088 1.00 0.10 H new ATOM 0 HB3 LYS A 33 0.806 -12.700 4.645 1.00 0.10 H new ATOM 0 HG2 LYS A 33 2.795 -11.199 4.378 1.00 11.12 H new ATOM 0 HG3 LYS A 33 2.348 -10.367 5.854 1.00 11.12 H new ATOM 0 HD2 LYS A 33 2.466 -12.621 7.052 1.00 45.41 H new ATOM 0 HD3 LYS A 33 3.127 -13.300 5.578 1.00 45.41 H new ATOM 0 HE2 LYS A 33 5.031 -11.710 5.680 1.00 51.51 H new ATOM 0 HE3 LYS A 33 4.363 -10.986 7.129 1.00 51.51 H new ATOM 0 HZ1 LYS A 33 6.078 -12.591 7.662 1.00 63.11 H new ATOM 0 HZ2 LYS A 33 4.581 -13.121 8.263 1.00 63.11 H new ATOM 0 HZ3 LYS A 33 5.229 -13.822 6.859 1.00 63.11 H new ATOM 574 N THR A 34 -2.242 -10.892 5.136 1.00 53.45 N ATOM 575 CA THR A 34 -3.639 -11.366 5.164 1.00 31.21 C ATOM 576 C THR A 34 -4.659 -10.218 5.104 1.00 11.24 C ATOM 577 O THR A 34 -4.321 -9.046 5.294 1.00 73.12 O ATOM 578 CB THR A 34 -3.939 -12.184 6.444 1.00 71.21 C ATOM 579 OG1 THR A 34 -4.027 -11.310 7.584 1.00 1.31 O ATOM 580 CG2 THR A 34 -2.861 -13.235 6.690 1.00 4.40 C ATOM 0 H THR A 34 -1.977 -10.317 5.936 1.00 53.45 H new ATOM 0 HA THR A 34 -3.742 -11.990 4.276 1.00 31.21 H new ATOM 0 HB THR A 34 -4.893 -12.692 6.300 1.00 71.21 H new ATOM 0 HG1 THR A 34 -4.219 -11.838 8.387 1.00 1.31 H new ATOM 0 HG21 THR A 34 -3.098 -13.794 7.595 1.00 4.40 H new ATOM 0 HG22 THR A 34 -2.819 -13.918 5.842 1.00 4.40 H new ATOM 0 HG23 THR A 34 -1.895 -12.744 6.809 1.00 4.40 H new ATOM 588 N GLU A 35 -5.915 -10.583 4.844 1.00 60.21 N ATOM 589 CA GLU A 35 -7.052 -9.650 4.884 1.00 45.24 C ATOM 590 C GLU A 35 -7.131 -8.891 6.221 1.00 32.23 C ATOM 591 O GLU A 35 -7.249 -7.661 6.248 1.00 72.32 O ATOM 592 CB GLU A 35 -8.356 -10.437 4.671 1.00 12.31 C ATOM 593 CG GLU A 35 -9.628 -9.656 4.997 1.00 13.53 C ATOM 594 CD GLU A 35 -10.875 -10.526 4.975 1.00 2.45 C ATOM 595 OE1 GLU A 35 -10.994 -11.426 5.837 1.00 31.20 O ATOM 596 OE2 GLU A 35 -11.745 -10.311 4.108 1.00 24.24 O ATOM 0 H GLU A 35 -6.178 -11.537 4.598 1.00 60.21 H new ATOM 0 HA GLU A 35 -6.910 -8.915 4.092 1.00 45.24 H new ATOM 0 HB2 GLU A 35 -8.402 -10.765 3.632 1.00 12.31 H new ATOM 0 HB3 GLU A 35 -8.328 -11.335 5.288 1.00 12.31 H new ATOM 0 HG2 GLU A 35 -9.526 -9.199 5.982 1.00 13.53 H new ATOM 0 HG3 GLU A 35 -9.744 -8.844 4.279 1.00 13.53 H new ATOM 603 N ASP A 36 -7.072 -9.634 7.324 1.00 72.04 N ATOM 604 CA ASP A 36 -7.220 -9.053 8.662 1.00 71.50 C ATOM 605 C ASP A 36 -6.155 -7.973 8.926 1.00 35.11 C ATOM 606 O ASP A 36 -6.461 -6.901 9.458 1.00 33.52 O ATOM 607 CB ASP A 36 -7.137 -10.158 9.725 1.00 35.45 C ATOM 608 CG ASP A 36 -7.702 -9.713 11.064 1.00 32.20 C ATOM 609 OD1 ASP A 36 -6.960 -9.111 11.865 1.00 62.13 O ATOM 610 OD2 ASP A 36 -8.903 -9.952 11.317 1.00 64.01 O ATOM 0 H ASP A 36 -6.922 -10.643 7.320 1.00 72.04 H new ATOM 0 HA ASP A 36 -8.198 -8.574 8.718 1.00 71.50 H new ATOM 0 HB2 ASP A 36 -7.682 -11.036 9.377 1.00 35.45 H new ATOM 0 HB3 ASP A 36 -6.097 -10.458 9.854 1.00 35.45 H new ATOM 615 N GLU A 37 -4.908 -8.255 8.537 1.00 73.30 N ATOM 616 CA GLU A 37 -3.816 -7.284 8.680 1.00 52.30 C ATOM 617 C GLU A 37 -4.114 -5.999 7.897 1.00 1.01 C ATOM 618 O GLU A 37 -3.941 -4.893 8.409 1.00 13.43 O ATOM 619 CB GLU A 37 -2.486 -7.882 8.203 1.00 3.50 C ATOM 620 CG GLU A 37 -2.051 -9.113 8.987 1.00 42.40 C ATOM 621 CD GLU A 37 -0.652 -9.573 8.616 1.00 60.44 C ATOM 622 OE1 GLU A 37 -0.507 -10.291 7.606 1.00 5.43 O ATOM 623 OE2 GLU A 37 0.308 -9.220 9.337 1.00 52.13 O ATOM 0 H GLU A 37 -4.629 -9.144 8.122 1.00 73.30 H new ATOM 0 HA GLU A 37 -3.734 -7.038 9.739 1.00 52.30 H new ATOM 0 HB2 GLU A 37 -2.574 -8.146 7.149 1.00 3.50 H new ATOM 0 HB3 GLU A 37 -1.709 -7.122 8.277 1.00 3.50 H new ATOM 0 HG2 GLU A 37 -2.087 -8.892 10.054 1.00 42.40 H new ATOM 0 HG3 GLU A 37 -2.757 -9.924 8.806 1.00 42.40 H new ATOM 630 N LEU A 38 -4.568 -6.158 6.653 1.00 61.41 N ATOM 631 CA LEU A 38 -4.956 -5.019 5.811 1.00 65.42 C ATOM 632 C LEU A 38 -5.973 -4.134 6.557 1.00 62.04 C ATOM 633 O LEU A 38 -5.801 -2.916 6.660 1.00 41.45 O ATOM 634 CB LEU A 38 -5.539 -5.539 4.475 1.00 40.31 C ATOM 635 CG LEU A 38 -5.513 -4.565 3.273 1.00 13.05 C ATOM 636 CD1 LEU A 38 -6.486 -3.406 3.460 1.00 73.32 C ATOM 637 CD2 LEU A 38 -4.097 -4.046 3.031 1.00 43.22 C ATOM 0 H LEU A 38 -4.677 -7.067 6.203 1.00 61.41 H new ATOM 0 HA LEU A 38 -4.080 -4.410 5.591 1.00 65.42 H new ATOM 0 HB2 LEU A 38 -4.992 -6.439 4.194 1.00 40.31 H new ATOM 0 HB3 LEU A 38 -6.573 -5.836 4.649 1.00 40.31 H new ATOM 0 HG LEU A 38 -5.836 -5.123 2.394 1.00 13.05 H new ATOM 0 HD11 LEU A 38 -6.436 -2.746 2.594 1.00 73.32 H new ATOM 0 HD12 LEU A 38 -7.499 -3.795 3.563 1.00 73.32 H new ATOM 0 HD13 LEU A 38 -6.219 -2.848 4.357 1.00 73.32 H new ATOM 0 HD21 LEU A 38 -4.100 -3.363 2.182 1.00 43.22 H new ATOM 0 HD22 LEU A 38 -3.746 -3.520 3.919 1.00 43.22 H new ATOM 0 HD23 LEU A 38 -3.433 -4.884 2.820 1.00 43.22 H new ATOM 649 N LYS A 39 -7.012 -4.767 7.103 1.00 60.41 N ATOM 650 CA LYS A 39 -8.027 -4.068 7.902 1.00 21.33 C ATOM 651 C LYS A 39 -7.408 -3.383 9.140 1.00 24.22 C ATOM 652 O LYS A 39 -7.799 -2.271 9.503 1.00 20.43 O ATOM 653 CB LYS A 39 -9.117 -5.054 8.339 1.00 32.31 C ATOM 654 CG LYS A 39 -10.222 -4.427 9.185 1.00 24.13 C ATOM 655 CD LYS A 39 -11.256 -5.459 9.630 1.00 52.45 C ATOM 656 CE LYS A 39 -11.975 -6.096 8.443 1.00 41.43 C ATOM 657 NZ LYS A 39 -12.926 -7.155 8.870 1.00 4.35 N ATOM 0 H LYS A 39 -7.176 -5.769 7.007 1.00 60.41 H new ATOM 0 HA LYS A 39 -8.466 -3.290 7.277 1.00 21.33 H new ATOM 0 HB2 LYS A 39 -9.564 -5.502 7.451 1.00 32.31 H new ATOM 0 HB3 LYS A 39 -8.655 -5.862 8.906 1.00 32.31 H new ATOM 0 HG2 LYS A 39 -9.782 -3.953 10.062 1.00 24.13 H new ATOM 0 HG3 LYS A 39 -10.716 -3.642 8.612 1.00 24.13 H new ATOM 0 HD2 LYS A 39 -10.764 -6.236 10.216 1.00 52.45 H new ATOM 0 HD3 LYS A 39 -11.987 -4.982 10.283 1.00 52.45 H new ATOM 0 HE2 LYS A 39 -12.514 -5.326 7.890 1.00 41.43 H new ATOM 0 HE3 LYS A 39 -11.240 -6.523 7.761 1.00 41.43 H new ATOM 0 HZ1 LYS A 39 -13.392 -7.561 8.034 1.00 4.35 H new ATOM 0 HZ2 LYS A 39 -12.409 -7.903 9.375 1.00 4.35 H new ATOM 0 HZ3 LYS A 39 -13.643 -6.744 9.501 1.00 4.35 H new ATOM 671 N LYS A 40 -6.441 -4.051 9.777 1.00 4.22 N ATOM 672 CA LYS A 40 -5.739 -3.494 10.949 1.00 0.25 C ATOM 673 C LYS A 40 -5.137 -2.117 10.636 1.00 11.25 C ATOM 674 O LYS A 40 -5.295 -1.164 11.409 1.00 23.22 O ATOM 675 CB LYS A 40 -4.649 -4.480 11.433 1.00 75.42 C ATOM 676 CG LYS A 40 -3.610 -3.895 12.405 1.00 10.25 C ATOM 677 CD LYS A 40 -2.378 -3.348 11.674 1.00 51.43 C ATOM 678 CE LYS A 40 -1.325 -2.792 12.632 1.00 14.14 C ATOM 679 NZ LYS A 40 -1.774 -1.547 13.317 1.00 25.23 N ATOM 0 H LYS A 40 -6.122 -4.981 9.504 1.00 4.22 H new ATOM 0 HA LYS A 40 -6.465 -3.356 11.751 1.00 0.25 H new ATOM 0 HB2 LYS A 40 -5.138 -5.325 11.917 1.00 75.42 H new ATOM 0 HB3 LYS A 40 -4.125 -4.871 10.561 1.00 75.42 H new ATOM 0 HG2 LYS A 40 -4.069 -3.096 12.988 1.00 10.25 H new ATOM 0 HG3 LYS A 40 -3.300 -4.666 13.110 1.00 10.25 H new ATOM 0 HD2 LYS A 40 -1.934 -4.142 11.073 1.00 51.43 H new ATOM 0 HD3 LYS A 40 -2.688 -2.562 10.985 1.00 51.43 H new ATOM 0 HE2 LYS A 40 -1.085 -3.547 13.380 1.00 14.14 H new ATOM 0 HE3 LYS A 40 -0.408 -2.588 12.079 1.00 14.14 H new ATOM 0 HZ1 LYS A 40 -1.482 -1.575 14.315 1.00 25.23 H new ATOM 0 HZ2 LYS A 40 -1.344 -0.721 12.853 1.00 25.23 H new ATOM 0 HZ3 LYS A 40 -2.810 -1.475 13.262 1.00 25.23 H new ATOM 693 N TYR A 41 -4.449 -2.015 9.504 1.00 31.24 N ATOM 694 CA TYR A 41 -3.862 -0.744 9.079 1.00 2.34 C ATOM 695 C TYR A 41 -4.955 0.269 8.722 1.00 54.55 C ATOM 696 O TYR A 41 -4.855 1.445 9.065 1.00 64.52 O ATOM 697 CB TYR A 41 -2.923 -0.957 7.887 1.00 54.04 C ATOM 698 CG TYR A 41 -1.721 -1.823 8.217 1.00 44.22 C ATOM 699 CD1 TYR A 41 -0.644 -1.310 8.934 1.00 70.03 C ATOM 700 CD2 TYR A 41 -1.667 -3.151 7.817 1.00 73.24 C ATOM 701 CE1 TYR A 41 0.450 -2.098 9.240 1.00 25.23 C ATOM 702 CE2 TYR A 41 -0.576 -3.945 8.119 1.00 12.53 C ATOM 703 CZ TYR A 41 0.478 -3.413 8.829 1.00 13.13 C ATOM 704 OH TYR A 41 1.567 -4.201 9.132 1.00 64.44 O ATOM 0 H TYR A 41 -4.283 -2.792 8.865 1.00 31.24 H new ATOM 0 HA TYR A 41 -3.283 -0.344 9.911 1.00 2.34 H new ATOM 0 HB2 TYR A 41 -3.481 -1.417 7.072 1.00 54.04 H new ATOM 0 HB3 TYR A 41 -2.576 0.012 7.529 1.00 54.04 H new ATOM 0 HD1 TYR A 41 -0.663 -0.279 9.257 1.00 70.03 H new ATOM 0 HD2 TYR A 41 -2.491 -3.571 7.260 1.00 73.24 H new ATOM 0 HE1 TYR A 41 1.278 -1.685 9.798 1.00 25.23 H new ATOM 0 HE2 TYR A 41 -0.550 -4.977 7.800 1.00 12.53 H new ATOM 0 HH TYR A 41 1.838 -4.704 8.336 1.00 64.44 H new ATOM 714 N LEU A 42 -6.004 -0.195 8.046 1.00 34.51 N ATOM 715 CA LEU A 42 -7.140 0.669 7.704 1.00 10.50 C ATOM 716 C LEU A 42 -7.752 1.315 8.961 1.00 51.32 C ATOM 717 O LEU A 42 -8.063 2.505 8.967 1.00 54.12 O ATOM 718 CB LEU A 42 -8.209 -0.119 6.933 1.00 20.34 C ATOM 719 CG LEU A 42 -7.753 -0.691 5.582 1.00 22.12 C ATOM 720 CD1 LEU A 42 -8.900 -1.415 4.888 1.00 34.44 C ATOM 721 CD2 LEU A 42 -7.183 0.410 4.685 1.00 31.51 C ATOM 0 H LEU A 42 -6.094 -1.159 7.724 1.00 34.51 H new ATOM 0 HA LEU A 42 -6.766 1.468 7.064 1.00 10.50 H new ATOM 0 HB2 LEU A 42 -8.554 -0.941 7.560 1.00 20.34 H new ATOM 0 HB3 LEU A 42 -9.066 0.533 6.763 1.00 20.34 H new ATOM 0 HG LEU A 42 -6.959 -1.414 5.772 1.00 22.12 H new ATOM 0 HD11 LEU A 42 -8.555 -1.812 3.933 1.00 34.44 H new ATOM 0 HD12 LEU A 42 -9.247 -2.234 5.518 1.00 34.44 H new ATOM 0 HD13 LEU A 42 -9.720 -0.717 4.716 1.00 34.44 H new ATOM 0 HD21 LEU A 42 -6.868 -0.022 3.735 1.00 31.51 H new ATOM 0 HD22 LEU A 42 -7.948 1.165 4.504 1.00 31.51 H new ATOM 0 HD23 LEU A 42 -6.326 0.872 5.176 1.00 31.51 H new ATOM 733 N GLU A 43 -7.913 0.532 10.028 1.00 22.44 N ATOM 734 CA GLU A 43 -8.375 1.070 11.315 1.00 4.35 C ATOM 735 C GLU A 43 -7.388 2.107 11.872 1.00 74.42 C ATOM 736 O GLU A 43 -7.789 3.150 12.392 1.00 2.51 O ATOM 737 CB GLU A 43 -8.590 -0.063 12.338 1.00 44.34 C ATOM 738 CG GLU A 43 -10.029 -0.567 12.410 1.00 54.12 C ATOM 739 CD GLU A 43 -10.977 0.437 13.061 1.00 42.54 C ATOM 740 OE1 GLU A 43 -11.137 1.554 12.526 1.00 74.32 O ATOM 741 OE2 GLU A 43 -11.568 0.119 14.112 1.00 31.42 O ATOM 0 H GLU A 43 -7.732 -0.472 10.031 1.00 22.44 H new ATOM 0 HA GLU A 43 -9.329 1.567 11.140 1.00 4.35 H new ATOM 0 HB2 GLU A 43 -7.936 -0.897 12.084 1.00 44.34 H new ATOM 0 HB3 GLU A 43 -8.289 0.290 13.325 1.00 44.34 H new ATOM 0 HG2 GLU A 43 -10.381 -0.792 11.403 1.00 54.12 H new ATOM 0 HG3 GLU A 43 -10.054 -1.501 12.972 1.00 54.12 H new ATOM 748 N GLU A 44 -6.099 1.815 11.745 1.00 11.42 N ATOM 749 CA GLU A 44 -5.046 2.734 12.187 1.00 52.12 C ATOM 750 C GLU A 44 -5.012 4.004 11.312 1.00 73.24 C ATOM 751 O GLU A 44 -4.520 5.049 11.733 1.00 4.41 O ATOM 752 CB GLU A 44 -3.692 2.006 12.163 1.00 1.11 C ATOM 753 CG GLU A 44 -2.517 2.830 12.688 1.00 35.00 C ATOM 754 CD GLU A 44 -1.261 1.994 12.914 1.00 72.12 C ATOM 755 OE1 GLU A 44 -1.079 0.968 12.219 1.00 43.53 O ATOM 756 OE2 GLU A 44 -0.451 2.354 13.798 1.00 32.13 O ATOM 0 H GLU A 44 -5.752 0.946 11.338 1.00 11.42 H new ATOM 0 HA GLU A 44 -5.259 3.054 13.207 1.00 52.12 H new ATOM 0 HB2 GLU A 44 -3.774 1.095 12.756 1.00 1.11 H new ATOM 0 HB3 GLU A 44 -3.476 1.701 11.139 1.00 1.11 H new ATOM 0 HG2 GLU A 44 -2.294 3.628 11.980 1.00 35.00 H new ATOM 0 HG3 GLU A 44 -2.804 3.307 13.625 1.00 35.00 H new ATOM 763 N PHE A 45 -5.547 3.903 10.094 1.00 2.34 N ATOM 764 CA PHE A 45 -5.603 5.046 9.171 1.00 72.32 C ATOM 765 C PHE A 45 -6.903 5.863 9.311 1.00 74.44 C ATOM 766 O PHE A 45 -6.888 7.083 9.136 1.00 2.25 O ATOM 767 CB PHE A 45 -5.454 4.572 7.717 1.00 3.42 C ATOM 768 CG PHE A 45 -4.130 3.909 7.406 1.00 73.22 C ATOM 769 CD1 PHE A 45 -2.980 4.232 8.123 1.00 61.52 C ATOM 770 CD2 PHE A 45 -4.035 2.959 6.397 1.00 13.01 C ATOM 771 CE1 PHE A 45 -1.774 3.621 7.838 1.00 73.35 C ATOM 772 CE2 PHE A 45 -2.828 2.348 6.111 1.00 1.42 C ATOM 773 CZ PHE A 45 -1.698 2.678 6.832 1.00 30.54 C ATOM 0 H PHE A 45 -5.949 3.043 9.721 1.00 2.34 H new ATOM 0 HA PHE A 45 -4.772 5.699 9.438 1.00 72.32 H new ATOM 0 HB2 PHE A 45 -6.258 3.872 7.492 1.00 3.42 H new ATOM 0 HB3 PHE A 45 -5.582 5.428 7.054 1.00 3.42 H new ATOM 0 HD1 PHE A 45 -3.032 4.969 8.911 1.00 61.52 H new ATOM 0 HD2 PHE A 45 -4.915 2.694 5.829 1.00 13.01 H new ATOM 0 HE1 PHE A 45 -0.890 3.881 8.402 1.00 73.35 H new ATOM 0 HE2 PHE A 45 -2.769 1.612 5.323 1.00 1.42 H new ATOM 0 HZ PHE A 45 -0.756 2.199 6.610 1.00 30.54 H new ATOM 783 N ARG A 46 -8.028 5.202 9.622 1.00 22.41 N ATOM 784 CA ARG A 46 -9.331 5.893 9.710 1.00 1.15 C ATOM 785 C ARG A 46 -9.304 7.069 10.699 1.00 55.42 C ATOM 786 O ARG A 46 -9.998 8.068 10.504 1.00 63.15 O ATOM 787 CB ARG A 46 -10.474 4.925 10.077 1.00 31.25 C ATOM 788 CG ARG A 46 -10.883 3.990 8.937 1.00 44.45 C ATOM 789 CD ARG A 46 -12.314 3.471 9.092 1.00 62.41 C ATOM 790 NE ARG A 46 -12.503 2.686 10.307 1.00 24.03 N ATOM 791 CZ ARG A 46 -13.617 2.070 10.619 1.00 24.52 C ATOM 792 NH1 ARG A 46 -14.641 2.105 9.832 1.00 51.52 N ATOM 793 NH2 ARG A 46 -13.704 1.410 11.726 1.00 54.05 N ATOM 0 H ARG A 46 -8.067 4.201 9.815 1.00 22.41 H new ATOM 0 HA ARG A 46 -9.523 6.293 8.714 1.00 1.15 H new ATOM 0 HB2 ARG A 46 -10.168 4.325 10.934 1.00 31.25 H new ATOM 0 HB3 ARG A 46 -11.343 5.505 10.388 1.00 31.25 H new ATOM 0 HG2 ARG A 46 -10.792 4.518 7.988 1.00 44.45 H new ATOM 0 HG3 ARG A 46 -10.195 3.145 8.899 1.00 44.45 H new ATOM 0 HD2 ARG A 46 -13.003 4.316 9.100 1.00 62.41 H new ATOM 0 HD3 ARG A 46 -12.569 2.860 8.227 1.00 62.41 H new ATOM 0 HE ARG A 46 -11.719 2.612 10.955 1.00 24.03 H new ATOM 0 HH11 ARG A 46 -14.590 2.618 8.952 1.00 51.52 H new ATOM 0 HH12 ARG A 46 -15.500 1.620 10.091 1.00 51.52 H new ATOM 0 HH21 ARG A 46 -12.905 1.368 12.359 1.00 54.05 H new ATOM 0 HH22 ARG A 46 -14.572 0.931 11.967 1.00 54.05 H new ATOM 807 N LYS A 47 -8.503 6.956 11.753 1.00 43.32 N ATOM 808 CA LYS A 47 -8.338 8.057 12.708 1.00 50.32 C ATOM 809 C LYS A 47 -7.800 9.324 12.014 1.00 23.23 C ATOM 810 O LYS A 47 -8.190 10.443 12.346 1.00 21.52 O ATOM 811 CB LYS A 47 -7.405 7.644 13.857 1.00 22.12 C ATOM 812 CG LYS A 47 -6.037 7.138 13.401 1.00 53.23 C ATOM 813 CD LYS A 47 -5.049 7.039 14.563 1.00 24.31 C ATOM 814 CE LYS A 47 -4.745 8.412 15.151 1.00 22.24 C ATOM 815 NZ LYS A 47 -3.834 8.338 16.320 1.00 33.33 N ATOM 0 H LYS A 47 -7.959 6.121 11.971 1.00 43.32 H new ATOM 0 HA LYS A 47 -9.321 8.287 13.120 1.00 50.32 H new ATOM 0 HB2 LYS A 47 -7.262 8.498 14.519 1.00 22.12 H new ATOM 0 HB3 LYS A 47 -7.892 6.864 14.443 1.00 22.12 H new ATOM 0 HG2 LYS A 47 -6.149 6.159 12.935 1.00 53.23 H new ATOM 0 HG3 LYS A 47 -5.637 7.809 12.641 1.00 53.23 H new ATOM 0 HD2 LYS A 47 -5.460 6.392 15.338 1.00 24.31 H new ATOM 0 HD3 LYS A 47 -4.124 6.576 14.218 1.00 24.31 H new ATOM 0 HE2 LYS A 47 -4.296 9.042 14.383 1.00 22.24 H new ATOM 0 HE3 LYS A 47 -5.677 8.891 15.450 1.00 22.24 H new ATOM 0 HZ1 LYS A 47 -3.658 9.296 16.684 1.00 33.33 H new ATOM 0 HZ2 LYS A 47 -4.272 7.760 17.065 1.00 33.33 H new ATOM 0 HZ3 LYS A 47 -2.933 7.906 16.031 1.00 33.33 H new ATOM 829 N GLU A 48 -6.927 9.127 11.024 1.00 73.22 N ATOM 830 CA GLU A 48 -6.312 10.235 10.280 1.00 34.13 C ATOM 831 C GLU A 48 -6.985 10.435 8.909 1.00 0.45 C ATOM 832 O GLU A 48 -6.440 11.104 8.028 1.00 33.33 O ATOM 833 CB GLU A 48 -4.812 9.957 10.094 1.00 53.24 C ATOM 834 CG GLU A 48 -4.062 9.710 11.402 1.00 41.30 C ATOM 835 CD GLU A 48 -4.005 10.934 12.308 1.00 34.53 C ATOM 836 OE1 GLU A 48 -5.019 11.250 12.965 1.00 23.22 O ATOM 837 OE2 GLU A 48 -2.937 11.583 12.374 1.00 12.31 O ATOM 0 H GLU A 48 -6.626 8.203 10.715 1.00 73.22 H new ATOM 0 HA GLU A 48 -6.449 11.151 10.854 1.00 34.13 H new ATOM 0 HB2 GLU A 48 -4.691 9.088 9.447 1.00 53.24 H new ATOM 0 HB3 GLU A 48 -4.357 10.803 9.579 1.00 53.24 H new ATOM 0 HG2 GLU A 48 -4.543 8.892 11.939 1.00 41.30 H new ATOM 0 HG3 GLU A 48 -3.046 9.388 11.174 1.00 41.30 H new ATOM 844 N SER A 49 -8.193 9.884 8.753 1.00 61.45 N ATOM 845 CA SER A 49 -8.931 9.933 7.472 1.00 53.25 C ATOM 846 C SER A 49 -9.182 11.368 6.975 1.00 74.40 C ATOM 847 O SER A 49 -9.611 11.570 5.839 1.00 54.34 O ATOM 848 CB SER A 49 -10.274 9.204 7.610 1.00 24.43 C ATOM 849 OG SER A 49 -11.018 9.244 6.400 1.00 12.12 O ATOM 0 H SER A 49 -8.689 9.395 9.498 1.00 61.45 H new ATOM 0 HA SER A 49 -8.301 9.438 6.733 1.00 53.25 H new ATOM 0 HB2 SER A 49 -10.098 8.167 7.895 1.00 24.43 H new ATOM 0 HB3 SER A 49 -10.856 9.661 8.411 1.00 24.43 H new ATOM 0 HG SER A 49 -10.802 10.065 5.910 1.00 12.12 H new ATOM 855 N GLN A 50 -8.918 12.356 7.826 1.00 51.21 N ATOM 856 CA GLN A 50 -9.160 13.762 7.489 1.00 60.22 C ATOM 857 C GLN A 50 -8.187 14.290 6.416 1.00 21.20 C ATOM 858 O GLN A 50 -8.557 15.149 5.609 1.00 62.02 O ATOM 859 CB GLN A 50 -9.067 14.624 8.758 1.00 2.40 C ATOM 860 CG GLN A 50 -10.099 14.251 9.819 1.00 2.05 C ATOM 861 CD GLN A 50 -10.004 15.110 11.072 1.00 31.44 C ATOM 862 OE1 GLN A 50 -9.304 14.777 12.023 1.00 52.44 O ATOM 863 NE2 GLN A 50 -10.711 16.221 11.087 1.00 55.03 N ATOM 0 H GLN A 50 -8.534 12.211 8.760 1.00 51.21 H new ATOM 0 HA GLN A 50 -10.163 13.827 7.068 1.00 60.22 H new ATOM 0 HB2 GLN A 50 -8.068 14.526 9.183 1.00 2.40 H new ATOM 0 HB3 GLN A 50 -9.197 15.672 8.487 1.00 2.40 H new ATOM 0 HG2 GLN A 50 -11.098 14.347 9.395 1.00 2.05 H new ATOM 0 HG3 GLN A 50 -9.968 13.204 10.093 1.00 2.05 H new ATOM 0 HE21 GLN A 50 -11.284 16.472 10.281 1.00 55.03 H new ATOM 0 HE22 GLN A 50 -10.686 16.831 11.904 1.00 55.03 H new ATOM 872 N ASN A 51 -6.946 13.788 6.403 1.00 12.44 N ATOM 873 CA ASN A 51 -5.923 14.276 5.456 1.00 50.50 C ATOM 874 C ASN A 51 -4.990 13.154 4.964 1.00 33.14 C ATOM 875 O ASN A 51 -3.834 13.414 4.623 1.00 2.43 O ATOM 876 CB ASN A 51 -5.065 15.371 6.111 1.00 62.43 C ATOM 877 CG ASN A 51 -5.878 16.548 6.611 1.00 13.41 C ATOM 878 OD1 ASN A 51 -6.153 17.489 5.873 1.00 2.32 O ATOM 879 ND2 ASN A 51 -6.251 16.518 7.873 1.00 43.13 N ATOM 0 H ASN A 51 -6.623 13.051 7.029 1.00 12.44 H new ATOM 0 HA ASN A 51 -6.464 14.674 4.598 1.00 50.50 H new ATOM 0 HB2 ASN A 51 -4.512 14.939 6.945 1.00 62.43 H new ATOM 0 HB3 ASN A 51 -4.329 15.726 5.390 1.00 62.43 H new ATOM 0 HD21 ASN A 51 -6.786 17.293 8.265 1.00 43.13 H new ATOM 0 HD22 ASN A 51 -6.005 15.720 8.459 1.00 43.13 H new ATOM 886 N ILE A 52 -5.480 11.921 4.894 1.00 50.23 N ATOM 887 CA ILE A 52 -4.620 10.786 4.526 1.00 13.44 C ATOM 888 C ILE A 52 -4.865 10.295 3.086 1.00 2.43 C ATOM 889 O ILE A 52 -5.997 10.277 2.599 1.00 31.50 O ATOM 890 CB ILE A 52 -4.796 9.600 5.512 1.00 72.24 C ATOM 891 CG1 ILE A 52 -3.716 8.531 5.273 1.00 71.25 C ATOM 892 CG2 ILE A 52 -6.191 8.991 5.383 1.00 3.03 C ATOM 893 CD1 ILE A 52 -3.749 7.394 6.274 1.00 63.21 C ATOM 0 H ILE A 52 -6.452 11.677 5.083 1.00 50.23 H new ATOM 0 HA ILE A 52 -3.597 11.157 4.585 1.00 13.44 H new ATOM 0 HB ILE A 52 -4.683 9.982 6.527 1.00 72.24 H new ATOM 0 HG12 ILE A 52 -3.838 8.123 4.270 1.00 71.25 H new ATOM 0 HG13 ILE A 52 -2.735 9.005 5.308 1.00 71.25 H new ATOM 0 HG21 ILE A 52 -6.292 8.162 6.083 1.00 3.03 H new ATOM 0 HG22 ILE A 52 -6.941 9.749 5.608 1.00 3.03 H new ATOM 0 HG23 ILE A 52 -6.336 8.627 4.366 1.00 3.03 H new ATOM 0 HD11 ILE A 52 -2.959 6.681 6.040 1.00 63.21 H new ATOM 0 HD12 ILE A 52 -3.596 7.789 7.278 1.00 63.21 H new ATOM 0 HD13 ILE A 52 -4.716 6.893 6.224 1.00 63.21 H new ATOM 905 N LYS A 53 -3.777 9.918 2.413 1.00 1.44 N ATOM 906 CA LYS A 53 -3.829 9.294 1.083 1.00 51.33 C ATOM 907 C LYS A 53 -3.007 7.994 1.101 1.00 42.42 C ATOM 908 O LYS A 53 -1.817 8.012 1.429 1.00 62.40 O ATOM 909 CB LYS A 53 -3.269 10.255 0.016 1.00 10.15 C ATOM 910 CG LYS A 53 -3.861 11.660 0.070 1.00 1.43 C ATOM 911 CD LYS A 53 -3.255 12.585 -0.987 1.00 4.03 C ATOM 912 CE LYS A 53 -3.478 12.072 -2.407 1.00 71.52 C ATOM 913 NZ LYS A 53 -2.848 12.957 -3.424 1.00 41.54 N ATOM 0 H LYS A 53 -2.830 10.036 2.773 1.00 1.44 H new ATOM 0 HA LYS A 53 -4.866 9.069 0.834 1.00 51.33 H new ATOM 0 HB2 LYS A 53 -2.188 10.323 0.136 1.00 10.15 H new ATOM 0 HB3 LYS A 53 -3.454 9.832 -0.971 1.00 10.15 H new ATOM 0 HG2 LYS A 53 -4.940 11.603 -0.075 1.00 1.43 H new ATOM 0 HG3 LYS A 53 -3.694 12.085 1.060 1.00 1.43 H new ATOM 0 HD2 LYS A 53 -3.692 13.579 -0.890 1.00 4.03 H new ATOM 0 HD3 LYS A 53 -2.185 12.688 -0.805 1.00 4.03 H new ATOM 0 HE2 LYS A 53 -3.068 11.066 -2.498 1.00 71.52 H new ATOM 0 HE3 LYS A 53 -4.548 11.999 -2.602 1.00 71.52 H new ATOM 0 HZ1 LYS A 53 -3.023 12.573 -4.375 1.00 41.54 H new ATOM 0 HZ2 LYS A 53 -3.257 13.911 -3.355 1.00 41.54 H new ATOM 0 HZ3 LYS A 53 -1.823 13.007 -3.254 1.00 41.54 H new ATOM 927 N VAL A 54 -3.630 6.865 0.762 1.00 64.12 N ATOM 928 CA VAL A 54 -2.961 5.558 0.872 1.00 55.11 C ATOM 929 C VAL A 54 -2.722 4.890 -0.496 1.00 0.51 C ATOM 930 O VAL A 54 -3.619 4.809 -1.336 1.00 72.14 O ATOM 931 CB VAL A 54 -3.774 4.590 1.770 1.00 24.52 C ATOM 932 CG1 VAL A 54 -3.048 3.252 1.936 1.00 51.55 C ATOM 933 CG2 VAL A 54 -4.064 5.225 3.130 1.00 50.21 C ATOM 0 H VAL A 54 -4.587 6.823 0.412 1.00 64.12 H new ATOM 0 HA VAL A 54 -1.990 5.759 1.324 1.00 55.11 H new ATOM 0 HB VAL A 54 -4.726 4.395 1.277 1.00 24.52 H new ATOM 0 HG11 VAL A 54 -3.641 2.593 2.570 1.00 51.55 H new ATOM 0 HG12 VAL A 54 -2.911 2.789 0.959 1.00 51.55 H new ATOM 0 HG13 VAL A 54 -2.075 3.421 2.397 1.00 51.55 H new ATOM 0 HG21 VAL A 54 -4.635 4.528 3.743 1.00 50.21 H new ATOM 0 HG22 VAL A 54 -3.124 5.461 3.629 1.00 50.21 H new ATOM 0 HG23 VAL A 54 -4.640 6.140 2.989 1.00 50.21 H new ATOM 943 N LEU A 55 -1.497 4.410 -0.706 1.00 51.20 N ATOM 944 CA LEU A 55 -1.151 3.604 -1.885 1.00 40.01 C ATOM 945 C LEU A 55 -1.026 2.125 -1.490 1.00 71.31 C ATOM 946 O LEU A 55 -0.389 1.803 -0.492 1.00 44.42 O ATOM 947 CB LEU A 55 0.176 4.085 -2.489 1.00 42.33 C ATOM 948 CG LEU A 55 0.665 3.294 -3.717 1.00 1.52 C ATOM 949 CD1 LEU A 55 -0.230 3.551 -4.925 1.00 63.20 C ATOM 950 CD2 LEU A 55 2.120 3.629 -4.033 1.00 10.33 C ATOM 0 H LEU A 55 -0.716 4.566 -0.069 1.00 51.20 H new ATOM 0 HA LEU A 55 -1.942 3.717 -2.627 1.00 40.01 H new ATOM 0 HB2 LEU A 55 0.069 5.132 -2.771 1.00 42.33 H new ATOM 0 HB3 LEU A 55 0.945 4.039 -1.718 1.00 42.33 H new ATOM 0 HG LEU A 55 0.607 2.232 -3.479 1.00 1.52 H new ATOM 0 HD11 LEU A 55 0.138 2.981 -5.778 1.00 63.20 H new ATOM 0 HD12 LEU A 55 -1.250 3.243 -4.694 1.00 63.20 H new ATOM 0 HD13 LEU A 55 -0.218 4.614 -5.167 1.00 63.20 H new ATOM 0 HD21 LEU A 55 2.444 3.059 -4.904 1.00 10.33 H new ATOM 0 HD22 LEU A 55 2.211 4.695 -4.243 1.00 10.33 H new ATOM 0 HD23 LEU A 55 2.746 3.373 -3.178 1.00 10.33 H new ATOM 962 N ILE A 56 -1.631 1.224 -2.262 1.00 5.53 N ATOM 963 CA ILE A 56 -1.578 -0.212 -1.945 1.00 53.33 C ATOM 964 C ILE A 56 -1.083 -1.042 -3.141 1.00 60.53 C ATOM 965 O ILE A 56 -1.677 -1.014 -4.219 1.00 64.12 O ATOM 966 CB ILE A 56 -2.964 -0.747 -1.494 1.00 13.33 C ATOM 967 CG1 ILE A 56 -3.482 0.040 -0.275 1.00 61.14 C ATOM 968 CG2 ILE A 56 -2.889 -2.245 -1.180 1.00 22.20 C ATOM 969 CD1 ILE A 56 -4.853 -0.397 0.205 1.00 73.33 C ATOM 0 H ILE A 56 -2.159 1.454 -3.104 1.00 5.53 H new ATOM 0 HA ILE A 56 -0.869 -0.319 -1.124 1.00 53.33 H new ATOM 0 HB ILE A 56 -3.668 -0.605 -2.314 1.00 13.33 H new ATOM 0 HG12 ILE A 56 -2.770 -0.068 0.543 1.00 61.14 H new ATOM 0 HG13 ILE A 56 -3.518 1.100 -0.528 1.00 61.14 H new ATOM 0 HG21 ILE A 56 -3.870 -2.600 -0.866 1.00 22.20 H new ATOM 0 HG22 ILE A 56 -2.574 -2.788 -2.071 1.00 22.20 H new ATOM 0 HG23 ILE A 56 -2.169 -2.413 -0.379 1.00 22.20 H new ATOM 0 HD11 ILE A 56 -5.146 0.205 1.065 1.00 73.33 H new ATOM 0 HD12 ILE A 56 -5.579 -0.262 -0.597 1.00 73.33 H new ATOM 0 HD13 ILE A 56 -4.820 -1.448 0.492 1.00 73.33 H new ATOM 981 N LEU A 57 0.003 -1.785 -2.936 1.00 2.34 N ATOM 982 CA LEU A 57 0.568 -2.656 -3.975 1.00 53.22 C ATOM 983 C LEU A 57 0.219 -4.122 -3.688 1.00 71.11 C ATOM 984 O LEU A 57 0.384 -4.594 -2.567 1.00 11.21 O ATOM 985 CB LEU A 57 2.099 -2.493 -4.055 1.00 23.52 C ATOM 986 CG LEU A 57 2.616 -1.104 -4.485 1.00 33.42 C ATOM 987 CD1 LEU A 57 1.968 -0.660 -5.792 1.00 31.34 C ATOM 988 CD2 LEU A 57 2.397 -0.065 -3.386 1.00 1.43 C ATOM 0 H LEU A 57 0.515 -1.804 -2.054 1.00 2.34 H new ATOM 0 HA LEU A 57 0.135 -2.364 -4.932 1.00 53.22 H new ATOM 0 HB2 LEU A 57 2.520 -2.727 -3.077 1.00 23.52 H new ATOM 0 HB3 LEU A 57 2.486 -3.234 -4.754 1.00 23.52 H new ATOM 0 HG LEU A 57 3.690 -1.188 -4.652 1.00 33.42 H new ATOM 0 HD11 LEU A 57 2.350 0.322 -6.072 1.00 31.34 H new ATOM 0 HD12 LEU A 57 2.203 -1.379 -6.577 1.00 31.34 H new ATOM 0 HD13 LEU A 57 0.887 -0.605 -5.662 1.00 31.34 H new ATOM 0 HD21 LEU A 57 2.772 0.902 -3.720 1.00 1.43 H new ATOM 0 HD22 LEU A 57 1.332 0.014 -3.167 1.00 1.43 H new ATOM 0 HD23 LEU A 57 2.931 -0.370 -2.486 1.00 1.43 H new ATOM 1000 N VAL A 58 -0.261 -4.840 -4.703 1.00 11.45 N ATOM 1001 CA VAL A 58 -0.693 -6.238 -4.529 1.00 62.52 C ATOM 1002 C VAL A 58 -0.024 -7.190 -5.537 1.00 33.54 C ATOM 1003 O VAL A 58 0.451 -6.767 -6.589 1.00 33.11 O ATOM 1004 CB VAL A 58 -2.230 -6.364 -4.665 1.00 3.55 C ATOM 1005 CG1 VAL A 58 -2.942 -5.592 -3.554 1.00 4.13 C ATOM 1006 CG2 VAL A 58 -2.686 -5.882 -6.039 1.00 62.24 C ATOM 0 H VAL A 58 -0.363 -4.484 -5.653 1.00 11.45 H new ATOM 0 HA VAL A 58 -0.384 -6.528 -3.525 1.00 62.52 H new ATOM 0 HB VAL A 58 -2.496 -7.416 -4.565 1.00 3.55 H new ATOM 0 HG11 VAL A 58 -4.021 -5.696 -3.672 1.00 4.13 H new ATOM 0 HG12 VAL A 58 -2.643 -5.991 -2.585 1.00 4.13 H new ATOM 0 HG13 VAL A 58 -2.671 -4.538 -3.612 1.00 4.13 H new ATOM 0 HG21 VAL A 58 -3.769 -5.978 -6.117 1.00 62.24 H new ATOM 0 HG22 VAL A 58 -2.404 -4.837 -6.170 1.00 62.24 H new ATOM 0 HG23 VAL A 58 -2.212 -6.486 -6.812 1.00 62.24 H new ATOM 1016 N SER A 59 -0.009 -8.480 -5.208 1.00 0.24 N ATOM 1017 CA SER A 59 0.611 -9.508 -6.063 1.00 52.24 C ATOM 1018 C SER A 59 -0.312 -9.938 -7.217 1.00 55.32 C ATOM 1019 O SER A 59 0.137 -10.134 -8.350 1.00 10.43 O ATOM 1020 CB SER A 59 0.969 -10.741 -5.220 1.00 54.34 C ATOM 1021 OG SER A 59 -0.199 -11.318 -4.644 1.00 42.40 O ATOM 0 H SER A 59 -0.421 -8.847 -4.350 1.00 0.24 H new ATOM 0 HA SER A 59 1.510 -9.069 -6.496 1.00 52.24 H new ATOM 0 HB2 SER A 59 1.475 -11.479 -5.843 1.00 54.34 H new ATOM 0 HB3 SER A 59 1.667 -10.458 -4.432 1.00 54.34 H new ATOM 0 HG SER A 59 0.052 -12.103 -4.113 1.00 42.40 H new ATOM 1027 N ASN A 60 -1.602 -10.098 -6.920 1.00 42.21 N ATOM 1028 CA ASN A 60 -2.578 -10.586 -7.911 1.00 60.14 C ATOM 1029 C ASN A 60 -3.854 -9.731 -7.931 1.00 1.45 C ATOM 1030 O ASN A 60 -4.066 -8.884 -7.062 1.00 14.32 O ATOM 1031 CB ASN A 60 -2.946 -12.044 -7.616 1.00 10.11 C ATOM 1032 CG ASN A 60 -1.743 -12.965 -7.649 1.00 10.33 C ATOM 1033 OD1 ASN A 60 -1.400 -13.526 -8.682 1.00 42.05 O ATOM 1034 ND2 ASN A 60 -1.087 -13.125 -6.521 1.00 71.20 N ATOM 0 H ASN A 60 -2.001 -9.898 -6.003 1.00 42.21 H new ATOM 0 HA ASN A 60 -2.108 -10.513 -8.892 1.00 60.14 H new ATOM 0 HB2 ASN A 60 -3.419 -12.105 -6.636 1.00 10.11 H new ATOM 0 HB3 ASN A 60 -3.680 -12.385 -8.346 1.00 10.11 H new ATOM 0 HD21 ASN A 60 -0.267 -13.731 -6.489 1.00 71.20 H new ATOM 0 HD22 ASN A 60 -1.398 -12.644 -5.677 1.00 71.20 H new ATOM 1041 N ASP A 61 -4.713 -9.982 -8.915 1.00 24.42 N ATOM 1042 CA ASP A 61 -5.960 -9.227 -9.077 1.00 10.11 C ATOM 1043 C ASP A 61 -6.963 -9.533 -7.953 1.00 72.04 C ATOM 1044 O ASP A 61 -7.749 -8.668 -7.559 1.00 71.23 O ATOM 1045 CB ASP A 61 -6.576 -9.536 -10.440 1.00 53.42 C ATOM 1046 CG ASP A 61 -5.647 -9.143 -11.571 1.00 11.32 C ATOM 1047 OD1 ASP A 61 -5.719 -7.988 -12.035 1.00 23.42 O ATOM 1048 OD2 ASP A 61 -4.819 -9.979 -11.987 1.00 65.44 O ATOM 0 H ASP A 61 -4.570 -10.707 -9.618 1.00 24.42 H new ATOM 0 HA ASP A 61 -5.722 -8.165 -9.018 1.00 10.11 H new ATOM 0 HB2 ASP A 61 -6.801 -10.600 -10.506 1.00 53.42 H new ATOM 0 HB3 ASP A 61 -7.521 -9.003 -10.542 1.00 53.42 H new ATOM 1053 N GLU A 62 -6.936 -10.761 -7.444 1.00 75.34 N ATOM 1054 CA GLU A 62 -7.777 -11.135 -6.303 1.00 75.31 C ATOM 1055 C GLU A 62 -7.377 -10.333 -5.057 1.00 61.41 C ATOM 1056 O GLU A 62 -8.226 -9.765 -4.366 1.00 65.31 O ATOM 1057 CB GLU A 62 -7.659 -12.636 -6.022 1.00 42.10 C ATOM 1058 CG GLU A 62 -8.610 -13.133 -4.938 1.00 21.33 C ATOM 1059 CD GLU A 62 -8.494 -14.626 -4.700 1.00 11.02 C ATOM 1060 OE1 GLU A 62 -9.170 -15.402 -5.409 1.00 31.22 O ATOM 1061 OE2 GLU A 62 -7.713 -15.034 -3.813 1.00 15.34 O ATOM 0 H GLU A 62 -6.345 -11.513 -7.799 1.00 75.34 H new ATOM 0 HA GLU A 62 -8.813 -10.905 -6.550 1.00 75.31 H new ATOM 0 HB2 GLU A 62 -7.853 -13.186 -6.943 1.00 42.10 H new ATOM 0 HB3 GLU A 62 -6.635 -12.862 -5.726 1.00 42.10 H new ATOM 0 HG2 GLU A 62 -8.403 -12.603 -4.008 1.00 21.33 H new ATOM 0 HG3 GLU A 62 -9.635 -12.892 -5.221 1.00 21.33 H new ATOM 1068 N GLU A 63 -6.070 -10.281 -4.789 1.00 52.33 N ATOM 1069 CA GLU A 63 -5.538 -9.473 -3.684 1.00 15.10 C ATOM 1070 C GLU A 63 -5.913 -7.996 -3.888 1.00 54.10 C ATOM 1071 O GLU A 63 -6.233 -7.280 -2.937 1.00 10.32 O ATOM 1072 CB GLU A 63 -4.001 -9.597 -3.582 1.00 51.10 C ATOM 1073 CG GLU A 63 -3.410 -10.894 -4.131 1.00 11.13 C ATOM 1074 CD GLU A 63 -3.998 -12.153 -3.516 1.00 73.20 C ATOM 1075 OE1 GLU A 63 -3.758 -12.407 -2.318 1.00 25.23 O ATOM 1076 OE2 GLU A 63 -4.689 -12.903 -4.236 1.00 2.03 O ATOM 0 H GLU A 63 -5.361 -10.787 -5.319 1.00 52.33 H new ATOM 0 HA GLU A 63 -5.977 -9.846 -2.759 1.00 15.10 H new ATOM 0 HB2 GLU A 63 -3.550 -8.759 -4.113 1.00 51.10 H new ATOM 0 HB3 GLU A 63 -3.715 -9.502 -2.535 1.00 51.10 H new ATOM 0 HG2 GLU A 63 -3.565 -10.923 -5.210 1.00 11.13 H new ATOM 0 HG3 GLU A 63 -2.333 -10.889 -3.963 1.00 11.13 H new ATOM 1083 N LEU A 64 -5.859 -7.558 -5.150 1.00 74.52 N ATOM 1084 CA LEU A 64 -6.251 -6.196 -5.542 1.00 14.52 C ATOM 1085 C LEU A 64 -7.680 -5.881 -5.085 1.00 4.32 C ATOM 1086 O LEU A 64 -7.922 -4.884 -4.398 1.00 43.13 O ATOM 1087 CB LEU A 64 -6.157 -6.051 -7.069 1.00 45.14 C ATOM 1088 CG LEU A 64 -6.367 -4.630 -7.624 1.00 42.54 C ATOM 1089 CD1 LEU A 64 -5.156 -3.755 -7.327 1.00 53.23 C ATOM 1090 CD2 LEU A 64 -6.656 -4.668 -9.123 1.00 74.44 C ATOM 0 H LEU A 64 -5.543 -8.135 -5.929 1.00 74.52 H new ATOM 0 HA LEU A 64 -5.572 -5.492 -5.060 1.00 14.52 H new ATOM 0 HB2 LEU A 64 -5.176 -6.404 -7.388 1.00 45.14 H new ATOM 0 HB3 LEU A 64 -6.896 -6.711 -7.523 1.00 45.14 H new ATOM 0 HG LEU A 64 -7.233 -4.194 -7.126 1.00 42.54 H new ATOM 0 HD11 LEU A 64 -5.323 -2.755 -7.727 1.00 53.23 H new ATOM 0 HD12 LEU A 64 -5.006 -3.695 -6.249 1.00 53.23 H new ATOM 0 HD13 LEU A 64 -4.271 -4.189 -7.792 1.00 53.23 H new ATOM 0 HD21 LEU A 64 -6.801 -3.652 -9.492 1.00 74.44 H new ATOM 0 HD22 LEU A 64 -5.816 -5.127 -9.644 1.00 74.44 H new ATOM 0 HD23 LEU A 64 -7.558 -5.252 -9.305 1.00 74.44 H new ATOM 1102 N ASP A 65 -8.617 -6.744 -5.478 1.00 14.35 N ATOM 1103 CA ASP A 65 -10.025 -6.590 -5.116 1.00 21.33 C ATOM 1104 C ASP A 65 -10.207 -6.561 -3.592 1.00 3.22 C ATOM 1105 O ASP A 65 -10.868 -5.679 -3.055 1.00 62.43 O ATOM 1106 CB ASP A 65 -10.855 -7.721 -5.737 1.00 73.00 C ATOM 1107 CG ASP A 65 -12.336 -7.613 -5.411 1.00 52.12 C ATOM 1108 OD1 ASP A 65 -13.034 -6.790 -6.044 1.00 44.23 O ATOM 1109 OD2 ASP A 65 -12.807 -8.351 -4.517 1.00 52.12 O ATOM 0 H ASP A 65 -8.423 -7.564 -6.052 1.00 14.35 H new ATOM 0 HA ASP A 65 -10.376 -5.636 -5.510 1.00 21.33 H new ATOM 0 HB2 ASP A 65 -10.724 -7.709 -6.819 1.00 73.00 H new ATOM 0 HB3 ASP A 65 -10.478 -8.680 -5.381 1.00 73.00 H new ATOM 1114 N LYS A 66 -9.603 -7.519 -2.898 1.00 72.54 N ATOM 1115 CA LYS A 66 -9.699 -7.581 -1.435 1.00 62.01 C ATOM 1116 C LYS A 66 -9.213 -6.281 -0.773 1.00 65.43 C ATOM 1117 O LYS A 66 -9.912 -5.704 0.059 1.00 23.12 O ATOM 1118 CB LYS A 66 -8.908 -8.782 -0.896 1.00 20.03 C ATOM 1119 CG LYS A 66 -9.511 -10.130 -1.280 1.00 30.21 C ATOM 1120 CD LYS A 66 -10.897 -10.331 -0.664 1.00 5.24 C ATOM 1121 CE LYS A 66 -10.837 -10.453 0.859 1.00 42.20 C ATOM 1122 NZ LYS A 66 -12.173 -10.733 1.452 1.00 11.14 N ATOM 0 H LYS A 66 -9.044 -8.262 -3.317 1.00 72.54 H new ATOM 0 HA LYS A 66 -10.752 -7.705 -1.182 1.00 62.01 H new ATOM 0 HB2 LYS A 66 -7.885 -8.731 -1.270 1.00 20.03 H new ATOM 0 HB3 LYS A 66 -8.854 -8.713 0.190 1.00 20.03 H new ATOM 0 HG2 LYS A 66 -9.583 -10.200 -2.365 1.00 30.21 H new ATOM 0 HG3 LYS A 66 -8.848 -10.931 -0.952 1.00 30.21 H new ATOM 0 HD2 LYS A 66 -11.539 -9.493 -0.935 1.00 5.24 H new ATOM 0 HD3 LYS A 66 -11.352 -11.229 -1.082 1.00 5.24 H new ATOM 0 HE2 LYS A 66 -10.146 -11.251 1.131 1.00 42.20 H new ATOM 0 HE3 LYS A 66 -10.440 -9.530 1.281 1.00 42.20 H new ATOM 0 HZ1 LYS A 66 -12.192 -10.400 2.437 1.00 11.14 H new ATOM 0 HZ2 LYS A 66 -12.906 -10.238 0.905 1.00 11.14 H new ATOM 0 HZ3 LYS A 66 -12.355 -11.757 1.429 1.00 11.14 H new ATOM 1136 N ALA A 67 -8.029 -5.816 -1.161 1.00 51.33 N ATOM 1137 CA ALA A 67 -7.453 -4.587 -0.601 1.00 74.53 C ATOM 1138 C ALA A 67 -8.361 -3.363 -0.829 1.00 62.12 C ATOM 1139 O ALA A 67 -8.696 -2.639 0.113 1.00 5.23 O ATOM 1140 CB ALA A 67 -6.073 -4.338 -1.204 1.00 52.34 C ATOM 0 H ALA A 67 -7.444 -6.270 -1.863 1.00 51.33 H new ATOM 0 HA ALA A 67 -7.363 -4.727 0.476 1.00 74.53 H new ATOM 0 HB1 ALA A 67 -5.652 -3.425 -0.784 1.00 52.34 H new ATOM 0 HB2 ALA A 67 -5.418 -5.179 -0.974 1.00 52.34 H new ATOM 0 HB3 ALA A 67 -6.162 -4.233 -2.285 1.00 52.34 H new ATOM 1146 N LYS A 68 -8.764 -3.143 -2.080 1.00 51.54 N ATOM 1147 CA LYS A 68 -9.574 -1.970 -2.434 1.00 31.12 C ATOM 1148 C LYS A 68 -10.986 -2.033 -1.819 1.00 3.41 C ATOM 1149 O LYS A 68 -11.479 -1.034 -1.297 1.00 54.02 O ATOM 1150 CB LYS A 68 -9.660 -1.810 -3.960 1.00 64.04 C ATOM 1151 CG LYS A 68 -10.377 -2.949 -4.673 1.00 71.35 C ATOM 1152 CD LYS A 68 -10.402 -2.766 -6.192 1.00 51.54 C ATOM 1153 CE LYS A 68 -11.251 -1.572 -6.634 1.00 14.22 C ATOM 1154 NZ LYS A 68 -10.578 -0.261 -6.403 1.00 72.24 N ATOM 0 H LYS A 68 -8.546 -3.757 -2.865 1.00 51.54 H new ATOM 0 HA LYS A 68 -9.075 -1.097 -2.015 1.00 31.12 H new ATOM 0 HB2 LYS A 68 -10.173 -0.875 -4.187 1.00 64.04 H new ATOM 0 HB3 LYS A 68 -8.650 -1.725 -4.362 1.00 64.04 H new ATOM 0 HG2 LYS A 68 -9.885 -3.891 -4.432 1.00 71.35 H new ATOM 0 HG3 LYS A 68 -11.399 -3.019 -4.302 1.00 71.35 H new ATOM 0 HD2 LYS A 68 -9.382 -2.634 -6.554 1.00 51.54 H new ATOM 0 HD3 LYS A 68 -10.790 -3.673 -6.656 1.00 51.54 H new ATOM 0 HE2 LYS A 68 -11.485 -1.672 -7.694 1.00 14.22 H new ATOM 0 HE3 LYS A 68 -12.198 -1.588 -6.095 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 -11.031 0.225 -5.603 1.00 72.24 H new ATOM 0 HZ2 LYS A 68 -9.573 -0.420 -6.188 1.00 72.24 H new ATOM 0 HZ3 LYS A 68 -10.661 0.327 -7.257 1.00 72.24 H new ATOM 1168 N GLU A 69 -11.627 -3.204 -1.874 1.00 50.22 N ATOM 1169 CA GLU A 69 -12.982 -3.374 -1.327 1.00 1.03 C ATOM 1170 C GLU A 69 -13.020 -3.087 0.180 1.00 41.14 C ATOM 1171 O GLU A 69 -13.902 -2.372 0.663 1.00 2.11 O ATOM 1172 CB GLU A 69 -13.514 -4.788 -1.616 1.00 31.23 C ATOM 1173 CG GLU A 69 -13.748 -5.070 -3.099 1.00 62.43 C ATOM 1174 CD GLU A 69 -14.790 -4.156 -3.726 1.00 34.02 C ATOM 1175 OE1 GLU A 69 -15.998 -4.411 -3.533 1.00 73.32 O ATOM 1176 OE2 GLU A 69 -14.412 -3.194 -4.430 1.00 23.35 O ATOM 0 H GLU A 69 -11.233 -4.048 -2.290 1.00 50.22 H new ATOM 0 HA GLU A 69 -13.628 -2.650 -1.823 1.00 1.03 H new ATOM 0 HB2 GLU A 69 -12.806 -5.519 -1.224 1.00 31.23 H new ATOM 0 HB3 GLU A 69 -14.451 -4.930 -1.077 1.00 31.23 H new ATOM 0 HG2 GLU A 69 -12.806 -4.959 -3.636 1.00 62.43 H new ATOM 0 HG3 GLU A 69 -14.063 -6.106 -3.220 1.00 62.43 H new ATOM 1183 N LEU A 70 -12.055 -3.637 0.918 1.00 4.13 N ATOM 1184 CA LEU A 70 -11.929 -3.353 2.352 1.00 44.14 C ATOM 1185 C LEU A 70 -11.837 -1.842 2.599 1.00 22.22 C ATOM 1186 O LEU A 70 -12.614 -1.278 3.369 1.00 1.22 O ATOM 1187 CB LEU A 70 -10.692 -4.051 2.941 1.00 5.44 C ATOM 1188 CG LEU A 70 -10.756 -5.584 2.979 1.00 64.32 C ATOM 1189 CD1 LEU A 70 -9.452 -6.163 3.519 1.00 61.01 C ATOM 1190 CD2 LEU A 70 -11.943 -6.054 3.815 1.00 32.12 C ATOM 0 H LEU A 70 -11.352 -4.278 0.551 1.00 4.13 H new ATOM 0 HA LEU A 70 -12.820 -3.739 2.848 1.00 44.14 H new ATOM 0 HB2 LEU A 70 -9.818 -3.755 2.360 1.00 5.44 H new ATOM 0 HB3 LEU A 70 -10.539 -3.685 3.956 1.00 5.44 H new ATOM 0 HG LEU A 70 -10.894 -5.946 1.960 1.00 64.32 H new ATOM 0 HD11 LEU A 70 -9.517 -7.251 3.538 1.00 61.01 H new ATOM 0 HD12 LEU A 70 -8.626 -5.860 2.876 1.00 61.01 H new ATOM 0 HD13 LEU A 70 -9.280 -5.792 4.529 1.00 61.01 H new ATOM 0 HD21 LEU A 70 -11.970 -7.144 3.829 1.00 32.12 H new ATOM 0 HD22 LEU A 70 -11.841 -5.681 4.834 1.00 32.12 H new ATOM 0 HD23 LEU A 70 -12.867 -5.674 3.380 1.00 32.12 H new ATOM 1202 N ALA A 71 -10.895 -1.195 1.921 1.00 33.12 N ATOM 1203 CA ALA A 71 -10.674 0.247 2.067 1.00 55.24 C ATOM 1204 C ALA A 71 -11.943 1.063 1.769 1.00 40.44 C ATOM 1205 O ALA A 71 -12.246 2.027 2.476 1.00 41.25 O ATOM 1206 CB ALA A 71 -9.538 0.682 1.161 1.00 50.32 C ATOM 0 H ALA A 71 -10.265 -1.647 1.258 1.00 33.12 H new ATOM 0 HA ALA A 71 -10.409 0.441 3.106 1.00 55.24 H new ATOM 0 HB1 ALA A 71 -9.375 1.754 1.271 1.00 50.32 H new ATOM 0 HB2 ALA A 71 -8.629 0.147 1.435 1.00 50.32 H new ATOM 0 HB3 ALA A 71 -9.793 0.458 0.125 1.00 50.32 H new ATOM 1212 N GLN A 72 -12.678 0.672 0.730 1.00 71.45 N ATOM 1213 CA GLN A 72 -13.955 1.319 0.394 1.00 42.33 C ATOM 1214 C GLN A 72 -14.939 1.254 1.571 1.00 31.11 C ATOM 1215 O GLN A 72 -15.530 2.263 1.963 1.00 51.11 O ATOM 1216 CB GLN A 72 -14.587 0.650 -0.834 1.00 50.24 C ATOM 1217 CG GLN A 72 -13.783 0.813 -2.116 1.00 32.44 C ATOM 1218 CD GLN A 72 -14.368 0.021 -3.274 1.00 21.20 C ATOM 1219 OE1 GLN A 72 -15.575 -0.198 -3.347 1.00 72.33 O ATOM 1220 NE2 GLN A 72 -13.525 -0.412 -4.188 1.00 34.32 N ATOM 0 H GLN A 72 -12.416 -0.089 0.103 1.00 71.45 H new ATOM 0 HA GLN A 72 -13.745 2.365 0.172 1.00 42.33 H new ATOM 0 HB2 GLN A 72 -14.713 -0.413 -0.630 1.00 50.24 H new ATOM 0 HB3 GLN A 72 -15.583 1.065 -0.988 1.00 50.24 H new ATOM 0 HG2 GLN A 72 -13.744 1.869 -2.385 1.00 32.44 H new ATOM 0 HG3 GLN A 72 -12.757 0.490 -1.941 1.00 32.44 H new ATOM 0 HE21 GLN A 72 -12.529 -0.213 -4.098 1.00 34.32 H new ATOM 0 HE22 GLN A 72 -13.868 -0.946 -4.986 1.00 34.32 H new ATOM 1229 N LYS A 73 -15.105 0.058 2.135 1.00 43.01 N ATOM 1230 CA LYS A 73 -16.015 -0.143 3.271 1.00 25.42 C ATOM 1231 C LYS A 73 -15.439 0.459 4.563 1.00 43.14 C ATOM 1232 O LYS A 73 -16.149 0.631 5.558 1.00 50.51 O ATOM 1233 CB LYS A 73 -16.309 -1.638 3.452 1.00 45.13 C ATOM 1234 CG LYS A 73 -16.717 -2.339 2.156 1.00 53.20 C ATOM 1235 CD LYS A 73 -17.192 -3.768 2.392 1.00 74.32 C ATOM 1236 CE LYS A 73 -18.546 -3.802 3.088 1.00 10.32 C ATOM 1237 NZ LYS A 73 -19.600 -3.125 2.286 1.00 3.01 N ATOM 0 H LYS A 73 -14.624 -0.787 1.827 1.00 43.01 H new ATOM 0 HA LYS A 73 -16.949 0.376 3.055 1.00 25.42 H new ATOM 0 HB2 LYS A 73 -15.424 -2.128 3.858 1.00 45.13 H new ATOM 0 HB3 LYS A 73 -17.105 -1.758 4.187 1.00 45.13 H new ATOM 0 HG2 LYS A 73 -17.512 -1.770 1.673 1.00 53.20 H new ATOM 0 HG3 LYS A 73 -15.870 -2.349 1.470 1.00 53.20 H new ATOM 0 HD2 LYS A 73 -17.259 -4.292 1.438 1.00 74.32 H new ATOM 0 HD3 LYS A 73 -16.458 -4.301 2.997 1.00 74.32 H new ATOM 0 HE2 LYS A 73 -18.836 -4.837 3.268 1.00 10.32 H new ATOM 0 HE3 LYS A 73 -18.465 -3.320 4.062 1.00 10.32 H new ATOM 0 HZ1 LYS A 73 -20.537 -3.436 2.612 1.00 3.01 H new ATOM 0 HZ2 LYS A 73 -19.517 -2.095 2.402 1.00 3.01 H new ATOM 0 HZ3 LYS A 73 -19.484 -3.371 1.282 1.00 3.01 H new ATOM 1251 N MET A 74 -14.142 0.758 4.547 1.00 24.13 N ATOM 1252 CA MET A 74 -13.487 1.463 5.655 1.00 13.32 C ATOM 1253 C MET A 74 -13.447 2.983 5.392 1.00 55.32 C ATOM 1254 O MET A 74 -12.903 3.743 6.191 1.00 3.32 O ATOM 1255 CB MET A 74 -12.070 0.915 5.872 1.00 34.40 C ATOM 1256 CG MET A 74 -12.042 -0.574 6.204 1.00 72.21 C ATOM 1257 SD MET A 74 -12.769 -0.960 7.812 1.00 15.32 S ATOM 1258 CE MET A 74 -11.494 -0.350 8.913 1.00 4.30 C ATOM 0 H MET A 74 -13.518 0.523 3.776 1.00 24.13 H new ATOM 0 HA MET A 74 -14.068 1.292 6.561 1.00 13.32 H new ATOM 0 HB2 MET A 74 -11.479 1.091 4.973 1.00 34.40 H new ATOM 0 HB3 MET A 74 -11.594 1.469 6.681 1.00 34.40 H new ATOM 0 HG2 MET A 74 -12.578 -1.122 5.429 1.00 72.21 H new ATOM 0 HG3 MET A 74 -11.010 -0.924 6.186 1.00 72.21 H new ATOM 0 HE1 MET A 74 -11.941 -0.067 9.866 1.00 4.30 H new ATOM 0 HE2 MET A 74 -10.752 -1.131 9.078 1.00 4.30 H new ATOM 0 HE3 MET A 74 -11.012 0.519 8.466 1.00 4.30 H new ATOM 1268 N GLU A 75 -14.018 3.407 4.256 1.00 31.51 N ATOM 1269 CA GLU A 75 -14.179 4.836 3.926 1.00 3.21 C ATOM 1270 C GLU A 75 -12.833 5.573 3.775 1.00 14.52 C ATOM 1271 O GLU A 75 -12.746 6.776 4.022 1.00 61.33 O ATOM 1272 CB GLU A 75 -15.036 5.523 5.003 1.00 24.32 C ATOM 1273 CG GLU A 75 -16.458 4.979 5.105 1.00 11.22 C ATOM 1274 CD GLU A 75 -17.188 5.475 6.344 1.00 30.32 C ATOM 1275 OE1 GLU A 75 -17.412 6.699 6.462 1.00 45.14 O ATOM 1276 OE2 GLU A 75 -17.525 4.644 7.213 1.00 63.25 O ATOM 0 H GLU A 75 -14.380 2.776 3.542 1.00 31.51 H new ATOM 0 HA GLU A 75 -14.677 4.888 2.958 1.00 3.21 H new ATOM 0 HB2 GLU A 75 -14.545 5.411 5.970 1.00 24.32 H new ATOM 0 HB3 GLU A 75 -15.081 6.591 4.790 1.00 24.32 H new ATOM 0 HG2 GLU A 75 -17.019 5.270 4.217 1.00 11.22 H new ATOM 0 HG3 GLU A 75 -16.426 3.890 5.119 1.00 11.22 H new ATOM 1283 N ILE A 76 -11.793 4.863 3.338 1.00 0.12 N ATOM 1284 CA ILE A 76 -10.457 5.466 3.202 1.00 3.11 C ATOM 1285 C ILE A 76 -10.068 5.678 1.724 1.00 31.31 C ATOM 1286 O ILE A 76 -10.364 4.843 0.867 1.00 51.23 O ATOM 1287 CB ILE A 76 -9.374 4.588 3.885 1.00 45.24 C ATOM 1288 CG1 ILE A 76 -9.800 4.220 5.321 1.00 10.11 C ATOM 1289 CG2 ILE A 76 -8.018 5.300 3.885 1.00 33.12 C ATOM 1290 CD1 ILE A 76 -8.772 3.401 6.068 1.00 23.44 C ATOM 0 H ILE A 76 -11.843 3.879 3.073 1.00 0.12 H new ATOM 0 HA ILE A 76 -10.506 6.437 3.695 1.00 3.11 H new ATOM 0 HB ILE A 76 -9.271 3.666 3.313 1.00 45.24 H new ATOM 0 HG12 ILE A 76 -9.997 5.136 5.878 1.00 10.11 H new ATOM 0 HG13 ILE A 76 -10.736 3.663 5.282 1.00 10.11 H new ATOM 0 HG21 ILE A 76 -7.274 4.666 4.368 1.00 33.12 H new ATOM 0 HG22 ILE A 76 -7.712 5.500 2.858 1.00 33.12 H new ATOM 0 HG23 ILE A 76 -8.101 6.241 4.428 1.00 33.12 H new ATOM 0 HD11 ILE A 76 -9.141 3.180 7.070 1.00 23.44 H new ATOM 0 HD12 ILE A 76 -8.592 2.468 5.534 1.00 23.44 H new ATOM 0 HD13 ILE A 76 -7.841 3.963 6.140 1.00 23.44 H new ATOM 1302 N ASP A 77 -9.401 6.801 1.440 1.00 71.11 N ATOM 1303 CA ASP A 77 -8.919 7.111 0.086 1.00 21.14 C ATOM 1304 C ASP A 77 -7.661 6.282 -0.249 1.00 2.03 C ATOM 1305 O ASP A 77 -6.566 6.566 0.242 1.00 45.42 O ATOM 1306 CB ASP A 77 -8.614 8.616 -0.028 1.00 41.14 C ATOM 1307 CG ASP A 77 -8.274 9.050 -1.447 1.00 54.02 C ATOM 1308 OD1 ASP A 77 -7.093 8.953 -1.844 1.00 41.54 O ATOM 1309 OD2 ASP A 77 -9.186 9.505 -2.169 1.00 75.33 O ATOM 0 H ASP A 77 -9.180 7.516 2.133 1.00 71.11 H new ATOM 0 HA ASP A 77 -9.698 6.850 -0.630 1.00 21.14 H new ATOM 0 HB2 ASP A 77 -9.476 9.183 0.322 1.00 41.14 H new ATOM 0 HB3 ASP A 77 -7.781 8.863 0.631 1.00 41.14 H new ATOM 1314 N VAL A 78 -7.824 5.243 -1.071 1.00 34.11 N ATOM 1315 CA VAL A 78 -6.708 4.354 -1.420 1.00 34.53 C ATOM 1316 C VAL A 78 -6.547 4.202 -2.938 1.00 61.05 C ATOM 1317 O VAL A 78 -7.502 4.354 -3.703 1.00 3.11 O ATOM 1318 CB VAL A 78 -6.880 2.940 -0.802 1.00 45.11 C ATOM 1319 CG1 VAL A 78 -7.081 3.022 0.711 1.00 64.14 C ATOM 1320 CG2 VAL A 78 -8.032 2.190 -1.471 1.00 34.42 C ATOM 0 H VAL A 78 -8.712 4.995 -1.507 1.00 34.11 H new ATOM 0 HA VAL A 78 -5.816 4.825 -1.008 1.00 34.53 H new ATOM 0 HB VAL A 78 -5.963 2.379 -0.985 1.00 45.11 H new ATOM 0 HG11 VAL A 78 -7.199 2.017 1.117 1.00 64.14 H new ATOM 0 HG12 VAL A 78 -6.214 3.499 1.168 1.00 64.14 H new ATOM 0 HG13 VAL A 78 -7.974 3.608 0.928 1.00 64.14 H new ATOM 0 HG21 VAL A 78 -8.133 1.202 -1.021 1.00 34.42 H new ATOM 0 HG22 VAL A 78 -8.958 2.748 -1.333 1.00 34.42 H new ATOM 0 HG23 VAL A 78 -7.827 2.084 -2.536 1.00 34.42 H new ATOM 1330 N ARG A 79 -5.323 3.906 -3.365 1.00 12.32 N ATOM 1331 CA ARG A 79 -5.036 3.595 -4.768 1.00 0.31 C ATOM 1332 C ARG A 79 -4.348 2.227 -4.873 1.00 52.13 C ATOM 1333 O ARG A 79 -3.158 2.100 -4.585 1.00 74.11 O ATOM 1334 CB ARG A 79 -4.154 4.686 -5.410 1.00 63.41 C ATOM 1335 CG ARG A 79 -4.731 6.103 -5.310 1.00 11.30 C ATOM 1336 CD ARG A 79 -4.416 6.764 -3.967 1.00 34.43 C ATOM 1337 NE ARG A 79 -5.243 7.946 -3.724 1.00 1.14 N ATOM 1338 CZ ARG A 79 -5.121 9.084 -4.348 1.00 42.13 C ATOM 1339 NH1 ARG A 79 -4.197 9.262 -5.242 1.00 73.51 N ATOM 1340 NH2 ARG A 79 -5.929 10.052 -4.062 1.00 44.25 N ATOM 0 H ARG A 79 -4.505 3.874 -2.756 1.00 12.32 H new ATOM 0 HA ARG A 79 -5.981 3.563 -5.310 1.00 0.31 H new ATOM 0 HB2 ARG A 79 -3.174 4.671 -4.934 1.00 63.41 H new ATOM 0 HB3 ARG A 79 -4.002 4.442 -6.461 1.00 63.41 H new ATOM 0 HG2 ARG A 79 -4.328 6.715 -6.117 1.00 11.30 H new ATOM 0 HG3 ARG A 79 -5.811 6.064 -5.449 1.00 11.30 H new ATOM 0 HD2 ARG A 79 -4.571 6.043 -3.164 1.00 34.43 H new ATOM 0 HD3 ARG A 79 -3.364 7.048 -3.942 1.00 34.43 H new ATOM 0 HE ARG A 79 -5.970 7.874 -3.012 1.00 1.14 H new ATOM 0 HH11 ARG A 79 -3.552 8.505 -5.466 1.00 73.51 H new ATOM 0 HH12 ARG A 79 -4.116 10.159 -5.720 1.00 73.51 H new ATOM 0 HH21 ARG A 79 -6.652 9.921 -3.355 1.00 44.25 H new ATOM 0 HH22 ARG A 79 -5.843 10.947 -4.544 1.00 44.25 H new ATOM 1354 N THR A 80 -5.106 1.203 -5.259 1.00 34.23 N ATOM 1355 CA THR A 80 -4.570 -0.165 -5.359 1.00 45.52 C ATOM 1356 C THR A 80 -4.032 -0.466 -6.764 1.00 61.14 C ATOM 1357 O THR A 80 -4.726 -0.275 -7.763 1.00 42.34 O ATOM 1358 CB THR A 80 -5.633 -1.235 -4.999 1.00 55.21 C ATOM 1359 OG1 THR A 80 -6.802 -1.081 -5.820 1.00 31.44 O ATOM 1360 CG2 THR A 80 -6.026 -1.150 -3.531 1.00 54.21 C ATOM 0 H THR A 80 -6.091 1.288 -5.508 1.00 34.23 H new ATOM 0 HA THR A 80 -3.753 -0.215 -4.639 1.00 45.52 H new ATOM 0 HB THR A 80 -5.190 -2.214 -5.184 1.00 55.21 H new ATOM 0 HG1 THR A 80 -6.556 -0.638 -6.659 1.00 31.44 H new ATOM 0 HG21 THR A 80 -6.773 -1.913 -3.309 1.00 54.21 H new ATOM 0 HG22 THR A 80 -5.146 -1.312 -2.909 1.00 54.21 H new ATOM 0 HG23 THR A 80 -6.441 -0.164 -3.322 1.00 54.21 H new ATOM 1368 N ARG A 81 -2.787 -0.936 -6.831 1.00 63.21 N ATOM 1369 CA ARG A 81 -2.155 -1.316 -8.103 1.00 15.12 C ATOM 1370 C ARG A 81 -1.393 -2.644 -7.965 1.00 64.34 C ATOM 1371 O ARG A 81 -0.842 -2.956 -6.908 1.00 73.10 O ATOM 1372 CB ARG A 81 -1.212 -0.199 -8.589 1.00 12.24 C ATOM 1373 CG ARG A 81 -1.933 1.103 -8.938 1.00 40.10 C ATOM 1374 CD ARG A 81 -2.912 0.921 -10.101 1.00 4.04 C ATOM 1375 NE ARG A 81 -3.783 2.083 -10.281 1.00 32.42 N ATOM 1376 CZ ARG A 81 -4.675 2.196 -11.232 1.00 22.41 C ATOM 1377 NH1 ARG A 81 -4.804 1.275 -12.136 1.00 23.25 N ATOM 1378 NH2 ARG A 81 -5.434 3.241 -11.281 1.00 54.35 N ATOM 0 H ARG A 81 -2.189 -1.065 -6.015 1.00 63.21 H new ATOM 0 HA ARG A 81 -2.942 -1.455 -8.845 1.00 15.12 H new ATOM 0 HB2 ARG A 81 -0.471 0.002 -7.815 1.00 12.24 H new ATOM 0 HB3 ARG A 81 -0.669 -0.550 -9.466 1.00 12.24 H new ATOM 0 HG2 ARG A 81 -2.473 1.465 -8.063 1.00 40.10 H new ATOM 0 HG3 ARG A 81 -1.199 1.866 -9.198 1.00 40.10 H new ATOM 0 HD2 ARG A 81 -2.353 0.743 -11.019 1.00 4.04 H new ATOM 0 HD3 ARG A 81 -3.523 0.036 -9.924 1.00 4.04 H new ATOM 0 HE ARG A 81 -3.689 2.856 -9.622 1.00 32.42 H new ATOM 0 HH11 ARG A 81 -4.206 0.449 -12.112 1.00 23.25 H new ATOM 0 HH12 ARG A 81 -5.504 1.377 -12.871 1.00 23.25 H new ATOM 0 HH21 ARG A 81 -5.337 3.975 -10.580 1.00 54.35 H new ATOM 0 HH22 ARG A 81 -6.130 3.332 -12.021 1.00 54.35 H new ATOM 1392 N LYS A 82 -1.370 -3.424 -9.040 1.00 43.11 N ATOM 1393 CA LYS A 82 -0.766 -4.759 -9.023 1.00 14.54 C ATOM 1394 C LYS A 82 0.709 -4.730 -9.472 1.00 11.53 C ATOM 1395 O LYS A 82 1.039 -4.189 -10.530 1.00 2.43 O ATOM 1396 CB LYS A 82 -1.585 -5.690 -9.926 1.00 22.23 C ATOM 1397 CG LYS A 82 -1.071 -7.125 -9.988 1.00 33.13 C ATOM 1398 CD LYS A 82 -1.959 -8.004 -10.866 1.00 24.24 C ATOM 1399 CE LYS A 82 -2.117 -7.430 -12.272 1.00 44.51 C ATOM 1400 NZ LYS A 82 -2.966 -8.291 -13.134 1.00 3.21 N ATOM 0 H LYS A 82 -1.764 -3.156 -9.942 1.00 43.11 H new ATOM 0 HA LYS A 82 -0.778 -5.130 -7.998 1.00 14.54 H new ATOM 0 HB2 LYS A 82 -2.616 -5.702 -9.574 1.00 22.23 H new ATOM 0 HB3 LYS A 82 -1.597 -5.278 -10.935 1.00 22.23 H new ATOM 0 HG2 LYS A 82 -0.053 -7.131 -10.378 1.00 33.13 H new ATOM 0 HG3 LYS A 82 -1.029 -7.541 -8.981 1.00 33.13 H new ATOM 0 HD2 LYS A 82 -1.531 -9.005 -10.928 1.00 24.24 H new ATOM 0 HD3 LYS A 82 -2.941 -8.105 -10.403 1.00 24.24 H new ATOM 0 HE2 LYS A 82 -2.556 -6.434 -12.210 1.00 44.51 H new ATOM 0 HE3 LYS A 82 -1.134 -7.316 -12.729 1.00 44.51 H new ATOM 0 HZ1 LYS A 82 -2.383 -8.715 -13.884 1.00 3.21 H new ATOM 0 HZ2 LYS A 82 -3.392 -9.046 -12.559 1.00 3.21 H new ATOM 0 HZ3 LYS A 82 -3.719 -7.717 -13.564 1.00 3.21 H new ATOM 1414 N VAL A 83 1.592 -5.319 -8.661 1.00 12.25 N ATOM 1415 CA VAL A 83 3.024 -5.385 -8.982 1.00 62.12 C ATOM 1416 C VAL A 83 3.499 -6.836 -9.179 1.00 53.40 C ATOM 1417 O VAL A 83 3.202 -7.723 -8.376 1.00 32.31 O ATOM 1418 CB VAL A 83 3.882 -4.709 -7.880 1.00 40.23 C ATOM 1419 CG1 VAL A 83 3.604 -3.208 -7.830 1.00 62.31 C ATOM 1420 CG2 VAL A 83 3.628 -5.351 -6.513 1.00 35.25 C ATOM 0 H VAL A 83 1.342 -5.758 -7.775 1.00 12.25 H new ATOM 0 HA VAL A 83 3.157 -4.844 -9.919 1.00 62.12 H new ATOM 0 HB VAL A 83 4.932 -4.858 -8.131 1.00 40.23 H new ATOM 0 HG11 VAL A 83 4.215 -2.751 -7.051 1.00 62.31 H new ATOM 0 HG12 VAL A 83 3.849 -2.760 -8.793 1.00 62.31 H new ATOM 0 HG13 VAL A 83 2.550 -3.040 -7.610 1.00 62.31 H new ATOM 0 HG21 VAL A 83 4.242 -4.858 -5.760 1.00 35.25 H new ATOM 0 HG22 VAL A 83 2.576 -5.243 -6.250 1.00 35.25 H new ATOM 0 HG23 VAL A 83 3.885 -6.409 -6.555 1.00 35.25 H new ATOM 1430 N THR A 84 4.255 -7.062 -10.253 1.00 15.22 N ATOM 1431 CA THR A 84 4.815 -8.390 -10.554 1.00 70.32 C ATOM 1432 C THR A 84 6.349 -8.383 -10.509 1.00 1.43 C ATOM 1433 O THR A 84 6.994 -9.423 -10.660 1.00 23.23 O ATOM 1434 CB THR A 84 4.376 -8.882 -11.952 1.00 1.42 C ATOM 1435 OG1 THR A 84 4.901 -8.011 -12.968 1.00 75.25 O ATOM 1436 CG2 THR A 84 2.855 -8.938 -12.064 1.00 20.24 C ATOM 0 H THR A 84 4.497 -6.343 -10.935 1.00 15.22 H new ATOM 0 HA THR A 84 4.432 -9.063 -9.787 1.00 70.32 H new ATOM 0 HB THR A 84 4.770 -9.888 -12.093 1.00 1.42 H new ATOM 0 HG1 THR A 84 4.620 -8.331 -13.851 1.00 75.25 H new ATOM 0 HG21 THR A 84 2.576 -9.287 -13.058 1.00 20.24 H new ATOM 0 HG22 THR A 84 2.460 -9.623 -11.314 1.00 20.24 H new ATOM 0 HG23 THR A 84 2.441 -7.943 -11.900 1.00 20.24 H new ATOM 1444 N SER A 85 6.928 -7.203 -10.302 1.00 21.33 N ATOM 1445 CA SER A 85 8.389 -7.033 -10.295 1.00 61.44 C ATOM 1446 C SER A 85 8.821 -6.069 -9.179 1.00 53.21 C ATOM 1447 O SER A 85 8.082 -5.145 -8.842 1.00 54.41 O ATOM 1448 CB SER A 85 8.864 -6.494 -11.654 1.00 32.41 C ATOM 1449 OG SER A 85 8.495 -7.359 -12.722 1.00 15.11 O ATOM 0 H SER A 85 6.408 -6.341 -10.135 1.00 21.33 H new ATOM 0 HA SER A 85 8.844 -8.006 -10.111 1.00 61.44 H new ATOM 0 HB2 SER A 85 8.437 -5.505 -11.823 1.00 32.41 H new ATOM 0 HB3 SER A 85 9.947 -6.375 -11.640 1.00 32.41 H new ATOM 0 HG SER A 85 8.812 -6.985 -13.571 1.00 15.11 H new ATOM 1455 N PRO A 86 10.021 -6.262 -8.592 1.00 34.41 N ATOM 1456 CA PRO A 86 10.525 -5.391 -7.511 1.00 55.41 C ATOM 1457 C PRO A 86 10.567 -3.900 -7.900 1.00 60.45 C ATOM 1458 O PRO A 86 10.168 -3.036 -7.115 1.00 31.23 O ATOM 1459 CB PRO A 86 11.943 -5.931 -7.233 1.00 30.50 C ATOM 1460 CG PRO A 86 12.282 -6.782 -8.415 1.00 2.20 C ATOM 1461 CD PRO A 86 10.974 -7.340 -8.911 1.00 42.12 C ATOM 0 HA PRO A 86 9.870 -5.421 -6.640 1.00 55.41 H new ATOM 0 HB2 PRO A 86 12.658 -5.116 -7.117 1.00 30.50 H new ATOM 0 HB3 PRO A 86 11.969 -6.511 -6.311 1.00 30.50 H new ATOM 0 HG2 PRO A 86 12.775 -6.195 -9.190 1.00 2.20 H new ATOM 0 HG3 PRO A 86 12.967 -7.582 -8.136 1.00 2.20 H new ATOM 0 HD2 PRO A 86 11.003 -7.552 -9.980 1.00 42.12 H new ATOM 0 HD3 PRO A 86 10.715 -8.272 -8.409 1.00 42.12 H new ATOM 1469 N ASP A 87 11.028 -3.598 -9.119 1.00 44.34 N ATOM 1470 CA ASP A 87 11.109 -2.208 -9.585 1.00 3.13 C ATOM 1471 C ASP A 87 9.710 -1.588 -9.757 1.00 4.24 C ATOM 1472 O ASP A 87 9.554 -0.373 -9.682 1.00 21.14 O ATOM 1473 CB ASP A 87 11.909 -2.104 -10.889 1.00 44.42 C ATOM 1474 CG ASP A 87 12.205 -0.658 -11.268 1.00 55.45 C ATOM 1475 OD1 ASP A 87 13.041 -0.018 -10.589 1.00 71.11 O ATOM 1476 OD2 ASP A 87 11.602 -0.151 -12.239 1.00 50.44 O ATOM 0 H ASP A 87 11.348 -4.290 -9.796 1.00 44.34 H new ATOM 0 HA ASP A 87 11.635 -1.641 -8.817 1.00 3.13 H new ATOM 0 HB2 ASP A 87 12.847 -2.649 -10.783 1.00 44.42 H new ATOM 0 HB3 ASP A 87 11.352 -2.582 -11.694 1.00 44.42 H new ATOM 1481 N GLU A 88 8.696 -2.428 -9.986 1.00 61.31 N ATOM 1482 CA GLU A 88 7.306 -1.955 -10.056 1.00 42.45 C ATOM 1483 C GLU A 88 6.912 -1.216 -8.774 1.00 60.52 C ATOM 1484 O GLU A 88 6.544 -0.043 -8.817 1.00 64.15 O ATOM 1485 CB GLU A 88 6.339 -3.123 -10.311 1.00 74.31 C ATOM 1486 CG GLU A 88 6.332 -3.611 -11.751 1.00 64.01 C ATOM 1487 CD GLU A 88 5.845 -2.542 -12.717 1.00 30.52 C ATOM 1488 OE1 GLU A 88 4.621 -2.281 -12.754 1.00 15.03 O ATOM 1489 OE2 GLU A 88 6.681 -1.951 -13.433 1.00 64.11 O ATOM 0 H GLU A 88 8.808 -3.432 -10.125 1.00 61.31 H new ATOM 0 HA GLU A 88 7.237 -1.259 -10.892 1.00 42.45 H new ATOM 0 HB2 GLU A 88 6.606 -3.953 -9.657 1.00 74.31 H new ATOM 0 HB3 GLU A 88 5.330 -2.814 -10.037 1.00 74.31 H new ATOM 0 HG2 GLU A 88 7.338 -3.922 -12.033 1.00 64.01 H new ATOM 0 HG3 GLU A 88 5.693 -4.490 -11.832 1.00 64.01 H new ATOM 1496 N ALA A 89 7.012 -1.900 -7.633 1.00 30.45 N ATOM 1497 CA ALA A 89 6.734 -1.276 -6.334 1.00 0.44 C ATOM 1498 C ALA A 89 7.568 0.002 -6.157 1.00 60.35 C ATOM 1499 O ALA A 89 7.044 1.054 -5.792 1.00 20.30 O ATOM 1500 CB ALA A 89 7.016 -2.263 -5.203 1.00 23.21 C ATOM 0 H ALA A 89 7.282 -2.882 -7.580 1.00 30.45 H new ATOM 0 HA ALA A 89 5.680 -1.001 -6.300 1.00 0.44 H new ATOM 0 HB1 ALA A 89 6.806 -1.788 -4.245 1.00 23.21 H new ATOM 0 HB2 ALA A 89 6.381 -3.141 -5.320 1.00 23.21 H new ATOM 0 HB3 ALA A 89 8.063 -2.565 -5.236 1.00 23.21 H new ATOM 1506 N LYS A 90 8.864 -0.099 -6.454 1.00 11.54 N ATOM 1507 CA LYS A 90 9.778 1.051 -6.404 1.00 73.22 C ATOM 1508 C LYS A 90 9.255 2.234 -7.249 1.00 24.55 C ATOM 1509 O LYS A 90 9.283 3.394 -6.815 1.00 41.25 O ATOM 1510 CB LYS A 90 11.175 0.613 -6.890 1.00 14.31 C ATOM 1511 CG LYS A 90 11.823 -0.447 -5.997 1.00 31.53 C ATOM 1512 CD LYS A 90 13.067 -1.097 -6.620 1.00 73.21 C ATOM 1513 CE LYS A 90 14.218 -0.119 -6.867 1.00 12.04 C ATOM 1514 NZ LYS A 90 14.030 0.690 -8.103 1.00 10.53 N ATOM 0 H LYS A 90 9.311 -0.972 -6.734 1.00 11.54 H new ATOM 0 HA LYS A 90 9.841 1.397 -5.372 1.00 73.22 H new ATOM 0 HB2 LYS A 90 11.093 0.222 -7.904 1.00 14.31 H new ATOM 0 HB3 LYS A 90 11.826 1.486 -6.936 1.00 14.31 H new ATOM 0 HG2 LYS A 90 12.099 0.010 -5.047 1.00 31.53 H new ATOM 0 HG3 LYS A 90 11.090 -1.223 -5.777 1.00 31.53 H new ATOM 0 HD2 LYS A 90 13.415 -1.895 -5.964 1.00 73.21 H new ATOM 0 HD3 LYS A 90 12.788 -1.561 -7.566 1.00 73.21 H new ATOM 0 HE2 LYS A 90 14.311 0.549 -6.011 1.00 12.04 H new ATOM 0 HE3 LYS A 90 15.152 -0.675 -6.940 1.00 12.04 H new ATOM 0 HZ1 LYS A 90 14.941 0.788 -8.596 1.00 10.53 H new ATOM 0 HZ2 LYS A 90 13.347 0.216 -8.728 1.00 10.53 H new ATOM 0 HZ3 LYS A 90 13.671 1.633 -7.850 1.00 10.53 H new ATOM 1528 N ARG A 91 8.766 1.927 -8.449 1.00 25.12 N ATOM 1529 CA ARG A 91 8.252 2.945 -9.370 1.00 3.14 C ATOM 1530 C ARG A 91 6.939 3.567 -8.860 1.00 52.33 C ATOM 1531 O ARG A 91 6.815 4.791 -8.773 1.00 12.42 O ATOM 1532 CB ARG A 91 8.042 2.331 -10.764 1.00 32.22 C ATOM 1533 CG ARG A 91 7.489 3.315 -11.792 1.00 64.43 C ATOM 1534 CD ARG A 91 7.221 2.653 -13.140 1.00 53.04 C ATOM 1535 NE ARG A 91 6.552 3.568 -14.062 1.00 2.31 N ATOM 1536 CZ ARG A 91 6.149 3.253 -15.259 1.00 0.21 C ATOM 1537 NH1 ARG A 91 6.357 2.069 -15.734 1.00 11.42 N ATOM 1538 NH2 ARG A 91 5.535 4.132 -15.982 1.00 22.12 N ATOM 0 H ARG A 91 8.714 0.975 -8.810 1.00 25.12 H new ATOM 0 HA ARG A 91 8.991 3.744 -9.431 1.00 3.14 H new ATOM 0 HB2 ARG A 91 8.993 1.938 -11.125 1.00 32.22 H new ATOM 0 HB3 ARG A 91 7.359 1.486 -10.680 1.00 32.22 H new ATOM 0 HG2 ARG A 91 6.565 3.751 -11.414 1.00 64.43 H new ATOM 0 HG3 ARG A 91 8.196 4.133 -11.926 1.00 64.43 H new ATOM 0 HD2 ARG A 91 8.162 2.319 -13.576 1.00 53.04 H new ATOM 0 HD3 ARG A 91 6.605 1.766 -12.995 1.00 53.04 H new ATOM 0 HE ARG A 91 6.389 4.523 -13.744 1.00 2.31 H new ATOM 0 HH11 ARG A 91 6.841 1.371 -15.170 1.00 11.42 H new ATOM 0 HH12 ARG A 91 6.037 1.833 -16.673 1.00 11.42 H new ATOM 0 HH21 ARG A 91 5.368 5.068 -15.614 1.00 22.12 H new ATOM 0 HH22 ARG A 91 5.218 3.889 -16.920 1.00 22.12 H new ATOM 1552 N TRP A 92 5.964 2.721 -8.518 1.00 10.51 N ATOM 1553 CA TRP A 92 4.651 3.193 -8.055 1.00 52.15 C ATOM 1554 C TRP A 92 4.763 4.062 -6.789 1.00 3.52 C ATOM 1555 O TRP A 92 4.093 5.092 -6.675 1.00 51.23 O ATOM 1556 CB TRP A 92 3.705 2.008 -7.805 1.00 21.21 C ATOM 1557 CG TRP A 92 3.245 1.327 -9.066 1.00 51.23 C ATOM 1558 CD1 TRP A 92 3.712 0.154 -9.589 1.00 43.30 C ATOM 1559 CD2 TRP A 92 2.227 1.787 -9.964 1.00 23.12 C ATOM 1560 NE1 TRP A 92 3.051 -0.138 -10.758 1.00 33.34 N ATOM 1561 CE2 TRP A 92 2.132 0.846 -11.006 1.00 74.33 C ATOM 1562 CE3 TRP A 92 1.387 2.904 -9.985 1.00 25.30 C ATOM 1563 CZ2 TRP A 92 1.231 0.990 -12.059 1.00 1.23 C ATOM 1564 CZ3 TRP A 92 0.492 3.042 -11.029 1.00 71.14 C ATOM 1565 CH2 TRP A 92 0.420 2.091 -12.053 1.00 10.43 C ATOM 0 H TRP A 92 6.056 1.706 -8.552 1.00 10.51 H new ATOM 0 HA TRP A 92 4.237 3.817 -8.847 1.00 52.15 H new ATOM 0 HB2 TRP A 92 4.210 1.279 -7.172 1.00 21.21 H new ATOM 0 HB3 TRP A 92 2.833 2.360 -7.253 1.00 21.21 H new ATOM 0 HD1 TRP A 92 4.487 -0.455 -9.148 1.00 43.30 H new ATOM 0 HE1 TRP A 92 3.218 -0.955 -11.345 1.00 33.34 H new ATOM 0 HE3 TRP A 92 1.436 3.645 -9.201 1.00 25.30 H new ATOM 0 HZ2 TRP A 92 1.175 0.258 -12.851 1.00 1.23 H new ATOM 0 HZ3 TRP A 92 -0.164 3.900 -11.055 1.00 71.14 H new ATOM 0 HH2 TRP A 92 -0.290 2.229 -12.855 1.00 10.43 H new ATOM 1576 N ILE A 93 5.608 3.649 -5.840 1.00 64.31 N ATOM 1577 CA ILE A 93 5.854 4.451 -4.633 1.00 65.34 C ATOM 1578 C ILE A 93 6.325 5.868 -5.004 1.00 61.25 C ATOM 1579 O ILE A 93 5.830 6.861 -4.463 1.00 53.11 O ATOM 1580 CB ILE A 93 6.898 3.780 -3.700 1.00 32.52 C ATOM 1581 CG1 ILE A 93 6.354 2.445 -3.162 1.00 3.15 C ATOM 1582 CG2 ILE A 93 7.279 4.709 -2.544 1.00 12.20 C ATOM 1583 CD1 ILE A 93 7.330 1.698 -2.276 1.00 75.24 C ATOM 0 H ILE A 93 6.130 2.773 -5.881 1.00 64.31 H new ATOM 0 HA ILE A 93 4.908 4.517 -4.095 1.00 65.34 H new ATOM 0 HB ILE A 93 7.797 3.582 -4.283 1.00 32.52 H new ATOM 0 HG12 ILE A 93 5.440 2.636 -2.599 1.00 3.15 H new ATOM 0 HG13 ILE A 93 6.082 1.809 -4.004 1.00 3.15 H new ATOM 0 HG21 ILE A 93 8.011 4.214 -1.906 1.00 12.20 H new ATOM 0 HG22 ILE A 93 7.707 5.629 -2.942 1.00 12.20 H new ATOM 0 HG23 ILE A 93 6.390 4.946 -1.960 1.00 12.20 H new ATOM 0 HD11 ILE A 93 6.874 0.768 -1.936 1.00 75.24 H new ATOM 0 HD12 ILE A 93 8.235 1.474 -2.840 1.00 75.24 H new ATOM 0 HD13 ILE A 93 7.583 2.314 -1.413 1.00 75.24 H new ATOM 1595 N LYS A 94 7.275 5.956 -5.935 1.00 4.12 N ATOM 1596 CA LYS A 94 7.737 7.254 -6.440 1.00 54.43 C ATOM 1597 C LYS A 94 6.586 8.063 -7.070 1.00 22.24 C ATOM 1598 O LYS A 94 6.386 9.232 -6.738 1.00 23.24 O ATOM 1599 CB LYS A 94 8.866 7.065 -7.462 1.00 52.11 C ATOM 1600 CG LYS A 94 9.241 8.345 -8.207 1.00 3.14 C ATOM 1601 CD LYS A 94 10.454 8.148 -9.112 1.00 45.53 C ATOM 1602 CE LYS A 94 10.691 9.363 -10.008 1.00 52.23 C ATOM 1603 NZ LYS A 94 10.722 10.637 -9.239 1.00 1.04 N ATOM 0 H LYS A 94 7.739 5.150 -6.354 1.00 4.12 H new ATOM 0 HA LYS A 94 8.117 7.817 -5.588 1.00 54.43 H new ATOM 0 HB2 LYS A 94 9.748 6.682 -6.949 1.00 52.11 H new ATOM 0 HB3 LYS A 94 8.565 6.308 -8.187 1.00 52.11 H new ATOM 0 HG2 LYS A 94 8.393 8.677 -8.806 1.00 3.14 H new ATOM 0 HG3 LYS A 94 9.451 9.135 -7.486 1.00 3.14 H new ATOM 0 HD2 LYS A 94 11.339 7.967 -8.501 1.00 45.53 H new ATOM 0 HD3 LYS A 94 10.307 7.262 -9.730 1.00 45.53 H new ATOM 0 HE2 LYS A 94 11.634 9.240 -10.540 1.00 52.23 H new ATOM 0 HE3 LYS A 94 9.904 9.415 -10.761 1.00 52.23 H new ATOM 0 HZ1 LYS A 94 11.294 11.338 -9.752 1.00 1.04 H new ATOM 0 HZ2 LYS A 94 9.753 10.997 -9.125 1.00 1.04 H new ATOM 0 HZ3 LYS A 94 11.141 10.467 -8.302 1.00 1.04 H new ATOM 1617 N GLU A 95 5.824 7.435 -7.968 1.00 3.11 N ATOM 1618 CA GLU A 95 4.739 8.132 -8.677 1.00 75.03 C ATOM 1619 C GLU A 95 3.585 8.540 -7.747 1.00 33.21 C ATOM 1620 O GLU A 95 2.801 9.433 -8.077 1.00 74.22 O ATOM 1621 CB GLU A 95 4.237 7.295 -9.859 1.00 41.34 C ATOM 1622 CG GLU A 95 5.225 7.276 -11.021 1.00 41.34 C ATOM 1623 CD GLU A 95 4.690 6.571 -12.252 1.00 34.54 C ATOM 1624 OE1 GLU A 95 3.744 7.087 -12.884 1.00 33.11 O ATOM 1625 OE2 GLU A 95 5.233 5.512 -12.615 1.00 71.43 O ATOM 0 H GLU A 95 5.933 6.453 -8.223 1.00 3.11 H new ATOM 0 HA GLU A 95 5.158 9.060 -9.065 1.00 75.03 H new ATOM 0 HB2 GLU A 95 4.054 6.274 -9.525 1.00 41.34 H new ATOM 0 HB3 GLU A 95 3.283 7.694 -10.204 1.00 41.34 H new ATOM 0 HG2 GLU A 95 5.487 8.301 -11.283 1.00 41.34 H new ATOM 0 HG3 GLU A 95 6.143 6.785 -10.700 1.00 41.34 H new ATOM 1632 N PHE A 96 3.484 7.899 -6.590 1.00 55.43 N ATOM 1633 CA PHE A 96 2.552 8.346 -5.548 1.00 2.32 C ATOM 1634 C PHE A 96 3.067 9.647 -4.905 1.00 54.34 C ATOM 1635 O PHE A 96 2.300 10.568 -4.611 1.00 23.41 O ATOM 1636 CB PHE A 96 2.383 7.251 -4.489 1.00 15.43 C ATOM 1637 CG PHE A 96 1.353 7.570 -3.434 1.00 3.34 C ATOM 1638 CD1 PHE A 96 0.007 7.660 -3.766 1.00 32.32 C ATOM 1639 CD2 PHE A 96 1.726 7.780 -2.113 1.00 61.42 C ATOM 1640 CE1 PHE A 96 -0.941 7.951 -2.804 1.00 74.22 C ATOM 1641 CE2 PHE A 96 0.781 8.071 -1.150 1.00 14.44 C ATOM 1642 CZ PHE A 96 -0.553 8.157 -1.496 1.00 32.55 C ATOM 0 H PHE A 96 4.029 7.073 -6.345 1.00 55.43 H new ATOM 0 HA PHE A 96 1.580 8.543 -5.999 1.00 2.32 H new ATOM 0 HB2 PHE A 96 2.104 6.321 -4.984 1.00 15.43 H new ATOM 0 HB3 PHE A 96 3.344 7.078 -4.004 1.00 15.43 H new ATOM 0 HD1 PHE A 96 -0.302 7.501 -4.788 1.00 32.32 H new ATOM 0 HD2 PHE A 96 2.768 7.715 -1.836 1.00 61.42 H new ATOM 0 HE1 PHE A 96 -1.984 8.017 -3.075 1.00 74.22 H new ATOM 0 HE2 PHE A 96 1.085 8.231 -0.126 1.00 14.44 H new ATOM 0 HZ PHE A 96 -1.293 8.385 -0.743 1.00 32.55 H new ATOM 1652 N SER A 97 4.385 9.713 -4.710 1.00 73.43 N ATOM 1653 CA SER A 97 5.049 10.919 -4.191 1.00 53.51 C ATOM 1654 C SER A 97 5.000 12.074 -5.208 1.00 52.32 C ATOM 1655 O SER A 97 5.011 13.246 -4.827 1.00 54.23 O ATOM 1656 CB SER A 97 6.508 10.607 -3.828 1.00 23.33 C ATOM 1657 OG SER A 97 7.213 11.777 -3.434 1.00 50.23 O ATOM 0 H SER A 97 5.022 8.940 -4.904 1.00 73.43 H new ATOM 0 HA SER A 97 4.511 11.233 -3.296 1.00 53.51 H new ATOM 0 HB2 SER A 97 6.534 9.877 -3.019 1.00 23.33 H new ATOM 0 HB3 SER A 97 7.007 10.152 -4.684 1.00 23.33 H new ATOM 0 HG SER A 97 8.137 11.542 -3.209 1.00 50.23 H new ATOM 1663 N GLU A 98 4.951 11.736 -6.503 1.00 52.30 N ATOM 1664 CA GLU A 98 4.817 12.743 -7.569 1.00 13.43 C ATOM 1665 C GLU A 98 3.558 13.599 -7.367 1.00 1.23 C ATOM 1666 O GLU A 98 3.552 14.798 -7.658 1.00 14.45 O ATOM 1667 CB GLU A 98 4.760 12.073 -8.953 1.00 61.21 C ATOM 1668 CG GLU A 98 5.997 11.253 -9.317 1.00 0.22 C ATOM 1669 CD GLU A 98 7.255 12.088 -9.488 1.00 32.31 C ATOM 1670 OE1 GLU A 98 7.260 12.997 -10.345 1.00 31.24 O ATOM 1671 OE2 GLU A 98 8.251 11.831 -8.779 1.00 22.05 O ATOM 0 H GLU A 98 5.002 10.775 -6.840 1.00 52.30 H new ATOM 0 HA GLU A 98 5.695 13.387 -7.519 1.00 13.43 H new ATOM 0 HB2 GLU A 98 3.886 11.423 -8.991 1.00 61.21 H new ATOM 0 HB3 GLU A 98 4.617 12.845 -9.709 1.00 61.21 H new ATOM 0 HG2 GLU A 98 6.169 10.508 -8.541 1.00 0.22 H new ATOM 0 HG3 GLU A 98 5.803 10.711 -10.242 1.00 0.22 H new