USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=28 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 59 SER OG : rot 180:sc= -0.403 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.239 K(o=-0.64,f=2.1) USER MOD Single : A 1 MET CE :methyl 140:sc= 0 (180deg=-0.175) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.00105 (180deg=0) USER MOD Single : A 4 TYR OH : rot -145:sc= 0.138 USER MOD Single : A 9 SER OG : rot -140:sc= -0.301 USER MOD Single : A 10 ASN : amide:sc= -0.0619 K(o=-0.062,f=-3.4!) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= -0.0065 (180deg=-0.142) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.731) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= -0.118 (180deg=-0.222) USER MOD Single : A 21 MET CE :methyl -140:sc= -0.967 (180deg=-2.28!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.18) USER MOD Single : A 31 THR OG1 : rot 25:sc= 0.276 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -0.0121 (180deg=-0.0987) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= 1.16 (180deg=-0.278) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.15) USER MOD Single : A 41 TYR OH : rot -129:sc= 0.94 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0275) USER MOD Single : A 49 SER OG : rot 180:sc= -0.931 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.01) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 1.27 (180deg=0.913) USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= -2.43! (180deg=-2.5!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0326 (180deg=-0.316) USER MOD Single : A 74 MET CE :methyl -166:sc= -0.127 (180deg=-0.929) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.154) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.16) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0.688 (180deg=0.684) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.611 16.681 4.363 1.00 73.23 N ATOM 2 CA MET A 1 -0.366 15.705 3.801 1.00 44.30 C ATOM 3 C MET A 1 0.008 14.276 4.218 1.00 2.43 C ATOM 4 O MET A 1 1.182 13.907 4.183 1.00 53.45 O ATOM 5 CB MET A 1 -0.390 15.816 2.271 1.00 31.11 C ATOM 6 CG MET A 1 -1.525 15.046 1.614 1.00 22.42 C ATOM 7 SD MET A 1 -3.140 15.644 2.144 1.00 34.51 S ATOM 8 CE MET A 1 -4.227 14.645 1.129 1.00 40.42 C ATOM 0 H1 MET A 1 0.613 17.544 3.782 1.00 73.23 H new ATOM 0 H2 MET A 1 0.340 16.921 5.338 1.00 73.23 H new ATOM 0 H3 MET A 1 1.562 16.260 4.361 1.00 73.23 H new ATOM 0 HA MET A 1 -1.357 15.934 4.192 1.00 44.30 H new ATOM 0 HB2 MET A 1 -0.470 16.867 1.994 1.00 31.11 H new ATOM 0 HB3 MET A 1 0.559 15.453 1.875 1.00 31.11 H new ATOM 0 HG2 MET A 1 -1.443 15.134 0.531 1.00 22.42 H new ATOM 0 HG3 MET A 1 -1.433 13.987 1.856 1.00 22.42 H new ATOM 0 HE1 MET A 1 -5.089 14.332 1.718 1.00 40.42 H new ATOM 0 HE2 MET A 1 -4.565 15.229 0.273 1.00 40.42 H new ATOM 0 HE3 MET A 1 -3.689 13.764 0.778 1.00 40.42 H new ATOM 20 N LEU A 2 -0.979 13.465 4.606 1.00 11.42 N ATOM 21 CA LEU A 2 -0.697 12.104 5.083 1.00 51.23 C ATOM 22 C LEU A 2 -0.668 11.092 3.926 1.00 33.21 C ATOM 23 O LEU A 2 -1.666 10.889 3.234 1.00 61.22 O ATOM 24 CB LEU A 2 -1.718 11.665 6.143 1.00 12.40 C ATOM 25 CG LEU A 2 -1.821 12.573 7.387 1.00 32.44 C ATOM 26 CD1 LEU A 2 -2.797 13.724 7.152 1.00 65.34 C ATOM 27 CD2 LEU A 2 -2.217 11.762 8.620 1.00 52.25 C ATOM 0 H LEU A 2 -1.967 13.719 4.601 1.00 11.42 H new ATOM 0 HA LEU A 2 0.292 12.125 5.540 1.00 51.23 H new ATOM 0 HB2 LEU A 2 -2.700 11.609 5.674 1.00 12.40 H new ATOM 0 HB3 LEU A 2 -1.464 10.657 6.471 1.00 12.40 H new ATOM 0 HG LEU A 2 -0.837 13.005 7.568 1.00 32.44 H new ATOM 0 HD11 LEU A 2 -2.848 14.346 8.046 1.00 65.34 H new ATOM 0 HD12 LEU A 2 -2.454 14.326 6.310 1.00 65.34 H new ATOM 0 HD13 LEU A 2 -3.786 13.323 6.932 1.00 65.34 H new ATOM 0 HD21 LEU A 2 -2.283 12.423 9.484 1.00 52.25 H new ATOM 0 HD22 LEU A 2 -3.184 11.289 8.449 1.00 52.25 H new ATOM 0 HD23 LEU A 2 -1.466 10.994 8.807 1.00 52.25 H new ATOM 39 N LEU A 3 0.487 10.460 3.728 1.00 24.20 N ATOM 40 CA LEU A 3 0.686 9.489 2.644 1.00 42.22 C ATOM 41 C LEU A 3 1.333 8.197 3.174 1.00 50.33 C ATOM 42 O LEU A 3 2.435 8.224 3.726 1.00 25.11 O ATOM 43 CB LEU A 3 1.568 10.109 1.550 1.00 14.21 C ATOM 44 CG LEU A 3 0.976 11.338 0.838 1.00 11.32 C ATOM 45 CD1 LEU A 3 2.034 12.024 -0.018 1.00 44.52 C ATOM 46 CD2 LEU A 3 -0.227 10.946 -0.016 1.00 41.32 C ATOM 0 H LEU A 3 1.312 10.603 4.311 1.00 24.20 H new ATOM 0 HA LEU A 3 -0.287 9.234 2.225 1.00 42.22 H new ATOM 0 HB2 LEU A 3 2.522 10.393 1.995 1.00 14.21 H new ATOM 0 HB3 LEU A 3 1.780 9.345 0.802 1.00 14.21 H new ATOM 0 HG LEU A 3 0.639 12.040 1.601 1.00 11.32 H new ATOM 0 HD11 LEU A 3 1.596 12.891 -0.513 1.00 44.52 H new ATOM 0 HD12 LEU A 3 2.861 12.347 0.615 1.00 44.52 H new ATOM 0 HD13 LEU A 3 2.404 11.326 -0.769 1.00 44.52 H new ATOM 0 HD21 LEU A 3 -0.628 11.832 -0.509 1.00 41.32 H new ATOM 0 HD22 LEU A 3 0.082 10.221 -0.769 1.00 41.32 H new ATOM 0 HD23 LEU A 3 -0.996 10.505 0.619 1.00 41.32 H new ATOM 58 N TYR A 4 0.639 7.071 3.017 1.00 45.42 N ATOM 59 CA TYR A 4 1.120 5.773 3.521 1.00 22.30 C ATOM 60 C TYR A 4 1.113 4.704 2.422 1.00 4.14 C ATOM 61 O TYR A 4 0.394 4.825 1.434 1.00 40.33 O ATOM 62 CB TYR A 4 0.256 5.313 4.705 1.00 65.10 C ATOM 63 CG TYR A 4 0.423 6.173 5.942 1.00 4.30 C ATOM 64 CD1 TYR A 4 -0.220 7.402 6.056 1.00 12.22 C ATOM 65 CD2 TYR A 4 1.236 5.761 6.989 1.00 51.22 C ATOM 66 CE1 TYR A 4 -0.054 8.191 7.177 1.00 11.10 C ATOM 67 CE2 TYR A 4 1.401 6.542 8.112 1.00 23.42 C ATOM 68 CZ TYR A 4 0.758 7.756 8.202 1.00 25.43 C ATOM 69 OH TYR A 4 0.938 8.543 9.316 1.00 62.03 O ATOM 0 H TYR A 4 -0.263 7.025 2.543 1.00 45.42 H new ATOM 0 HA TYR A 4 2.150 5.906 3.853 1.00 22.30 H new ATOM 0 HB2 TYR A 4 -0.792 5.321 4.405 1.00 65.10 H new ATOM 0 HB3 TYR A 4 0.510 4.282 4.951 1.00 65.10 H new ATOM 0 HD1 TYR A 4 -0.859 7.744 5.255 1.00 12.22 H new ATOM 0 HD2 TYR A 4 1.748 4.812 6.922 1.00 51.22 H new ATOM 0 HE1 TYR A 4 -0.558 9.144 7.250 1.00 11.10 H new ATOM 0 HE2 TYR A 4 2.033 6.203 8.919 1.00 23.42 H new ATOM 0 HH TYR A 4 1.855 8.438 9.646 1.00 62.03 H new ATOM 79 N VAL A 5 1.916 3.653 2.600 1.00 73.05 N ATOM 80 CA VAL A 5 2.017 2.578 1.601 1.00 12.25 C ATOM 81 C VAL A 5 1.824 1.184 2.231 1.00 14.42 C ATOM 82 O VAL A 5 2.516 0.818 3.181 1.00 63.12 O ATOM 83 CB VAL A 5 3.390 2.614 0.869 1.00 50.33 C ATOM 84 CG1 VAL A 5 3.485 1.503 -0.178 1.00 43.24 C ATOM 85 CG2 VAL A 5 3.638 3.982 0.228 1.00 13.21 C ATOM 0 H VAL A 5 2.505 3.520 3.422 1.00 73.05 H new ATOM 0 HA VAL A 5 1.216 2.753 0.883 1.00 12.25 H new ATOM 0 HB VAL A 5 4.166 2.444 1.615 1.00 50.33 H new ATOM 0 HG11 VAL A 5 4.455 1.552 -0.674 1.00 43.24 H new ATOM 0 HG12 VAL A 5 3.375 0.534 0.309 1.00 43.24 H new ATOM 0 HG13 VAL A 5 2.693 1.630 -0.916 1.00 43.24 H new ATOM 0 HG21 VAL A 5 4.604 3.978 -0.276 1.00 13.21 H new ATOM 0 HG22 VAL A 5 2.852 4.192 -0.497 1.00 13.21 H new ATOM 0 HG23 VAL A 5 3.635 4.751 1.000 1.00 13.21 H new ATOM 95 N LEU A 6 0.874 0.416 1.700 1.00 43.44 N ATOM 96 CA LEU A 6 0.656 -0.977 2.120 1.00 1.51 C ATOM 97 C LEU A 6 1.125 -1.947 1.026 1.00 55.34 C ATOM 98 O LEU A 6 0.623 -1.916 -0.098 1.00 5.24 O ATOM 99 CB LEU A 6 -0.830 -1.226 2.423 1.00 50.33 C ATOM 100 CG LEU A 6 -1.411 -0.423 3.598 1.00 53.23 C ATOM 101 CD1 LEU A 6 -2.898 -0.721 3.776 1.00 23.34 C ATOM 102 CD2 LEU A 6 -0.641 -0.718 4.884 1.00 61.02 C ATOM 0 H LEU A 6 0.235 0.734 0.971 1.00 43.44 H new ATOM 0 HA LEU A 6 1.237 -1.150 3.026 1.00 1.51 H new ATOM 0 HB2 LEU A 6 -1.408 -0.997 1.528 1.00 50.33 H new ATOM 0 HB3 LEU A 6 -0.968 -2.288 2.628 1.00 50.33 H new ATOM 0 HG LEU A 6 -1.304 0.638 3.372 1.00 53.23 H new ATOM 0 HD11 LEU A 6 -3.288 -0.142 4.613 1.00 23.34 H new ATOM 0 HD12 LEU A 6 -3.435 -0.451 2.867 1.00 23.34 H new ATOM 0 HD13 LEU A 6 -3.035 -1.784 3.976 1.00 23.34 H new ATOM 0 HD21 LEU A 6 -1.067 -0.140 5.704 1.00 61.02 H new ATOM 0 HD22 LEU A 6 -0.711 -1.781 5.114 1.00 61.02 H new ATOM 0 HD23 LEU A 6 0.406 -0.444 4.752 1.00 61.02 H new ATOM 114 N ILE A 7 2.084 -2.807 1.352 1.00 21.21 N ATOM 115 CA ILE A 7 2.639 -3.744 0.365 1.00 62.24 C ATOM 116 C ILE A 7 2.278 -5.206 0.686 1.00 53.32 C ATOM 117 O ILE A 7 2.397 -5.658 1.829 1.00 54.13 O ATOM 118 CB ILE A 7 4.179 -3.591 0.263 1.00 0.51 C ATOM 119 CG1 ILE A 7 4.750 -4.512 -0.830 1.00 2.43 C ATOM 120 CG2 ILE A 7 4.846 -3.870 1.609 1.00 55.23 C ATOM 121 CD1 ILE A 7 6.244 -4.363 -1.026 1.00 3.21 C ATOM 0 H ILE A 7 2.495 -2.880 2.283 1.00 21.21 H new ATOM 0 HA ILE A 7 2.190 -3.492 -0.596 1.00 62.24 H new ATOM 0 HB ILE A 7 4.396 -2.560 -0.014 1.00 0.51 H new ATOM 0 HG12 ILE A 7 4.527 -5.548 -0.574 1.00 2.43 H new ATOM 0 HG13 ILE A 7 4.245 -4.300 -1.773 1.00 2.43 H new ATOM 0 HG21 ILE A 7 5.926 -3.756 1.511 1.00 55.23 H new ATOM 0 HG22 ILE A 7 4.473 -3.166 2.353 1.00 55.23 H new ATOM 0 HG23 ILE A 7 4.616 -4.887 1.925 1.00 55.23 H new ATOM 0 HD11 ILE A 7 6.577 -5.042 -1.811 1.00 3.21 H new ATOM 0 HD12 ILE A 7 6.473 -3.337 -1.313 1.00 3.21 H new ATOM 0 HD13 ILE A 7 6.759 -4.603 -0.096 1.00 3.21 H new ATOM 133 N ILE A 8 1.826 -5.935 -0.335 1.00 62.23 N ATOM 134 CA ILE A 8 1.482 -7.357 -0.201 1.00 64.21 C ATOM 135 C ILE A 8 2.310 -8.210 -1.178 1.00 51.21 C ATOM 136 O ILE A 8 2.097 -8.158 -2.390 1.00 34.25 O ATOM 137 CB ILE A 8 -0.031 -7.593 -0.471 1.00 10.34 C ATOM 138 CG1 ILE A 8 -0.881 -6.741 0.485 1.00 3.11 C ATOM 139 CG2 ILE A 8 -0.384 -9.076 -0.336 1.00 20.30 C ATOM 140 CD1 ILE A 8 -2.368 -6.784 0.199 1.00 11.23 C ATOM 0 H ILE A 8 1.687 -5.562 -1.274 1.00 62.23 H new ATOM 0 HA ILE A 8 1.710 -7.655 0.822 1.00 64.21 H new ATOM 0 HB ILE A 8 -0.250 -7.289 -1.494 1.00 10.34 H new ATOM 0 HG12 ILE A 8 -0.709 -7.080 1.507 1.00 3.11 H new ATOM 0 HG13 ILE A 8 -0.542 -5.707 0.431 1.00 3.11 H new ATOM 0 HG21 ILE A 8 -1.448 -9.216 -0.529 1.00 20.30 H new ATOM 0 HG22 ILE A 8 0.195 -9.655 -1.056 1.00 20.30 H new ATOM 0 HG23 ILE A 8 -0.151 -9.415 0.673 1.00 20.30 H new ATOM 0 HD11 ILE A 8 -2.895 -6.157 0.918 1.00 11.23 H new ATOM 0 HD12 ILE A 8 -2.555 -6.416 -0.810 1.00 11.23 H new ATOM 0 HD13 ILE A 8 -2.725 -7.810 0.283 1.00 11.23 H new ATOM 152 N SER A 9 3.259 -8.987 -0.654 1.00 71.32 N ATOM 153 CA SER A 9 4.145 -9.803 -1.506 1.00 20.15 C ATOM 154 C SER A 9 4.793 -10.957 -0.727 1.00 10.32 C ATOM 155 O SER A 9 4.690 -11.034 0.502 1.00 72.12 O ATOM 156 CB SER A 9 5.240 -8.930 -2.139 1.00 51.00 C ATOM 157 OG SER A 9 6.107 -9.701 -2.958 1.00 72.22 O ATOM 0 H SER A 9 3.438 -9.073 0.346 1.00 71.32 H new ATOM 0 HA SER A 9 3.523 -10.234 -2.290 1.00 20.15 H new ATOM 0 HB2 SER A 9 4.780 -8.141 -2.734 1.00 51.00 H new ATOM 0 HB3 SER A 9 5.817 -8.441 -1.354 1.00 51.00 H new ATOM 0 HG SER A 9 7.030 -9.397 -2.834 1.00 72.22 H new ATOM 163 N ASN A 10 5.472 -11.849 -1.450 1.00 73.04 N ATOM 164 CA ASN A 10 6.098 -13.034 -0.849 1.00 74.22 C ATOM 165 C ASN A 10 7.631 -12.934 -0.836 1.00 24.00 C ATOM 166 O ASN A 10 8.285 -13.400 0.102 1.00 74.40 O ATOM 167 CB ASN A 10 5.667 -14.299 -1.605 1.00 55.41 C ATOM 168 CG ASN A 10 4.205 -14.646 -1.385 1.00 11.44 C ATOM 169 OD1 ASN A 10 3.367 -13.774 -1.187 1.00 70.43 O ATOM 170 ND2 ASN A 10 3.891 -15.925 -1.399 1.00 52.34 N ATOM 0 H ASN A 10 5.604 -11.775 -2.459 1.00 73.04 H new ATOM 0 HA ASN A 10 5.761 -13.090 0.186 1.00 74.22 H new ATOM 0 HB2 ASN A 10 5.846 -14.159 -2.671 1.00 55.41 H new ATOM 0 HB3 ASN A 10 6.287 -15.137 -1.285 1.00 55.41 H new ATOM 0 HD21 ASN A 10 2.926 -16.215 -1.242 1.00 52.34 H new ATOM 0 HD22 ASN A 10 4.613 -16.626 -1.567 1.00 52.34 H new ATOM 177 N ASP A 11 8.200 -12.340 -1.882 1.00 31.33 N ATOM 178 CA ASP A 11 9.655 -12.191 -1.990 1.00 41.04 C ATOM 179 C ASP A 11 10.149 -10.906 -1.312 1.00 63.24 C ATOM 180 O ASP A 11 9.728 -9.799 -1.656 1.00 42.34 O ATOM 181 CB ASP A 11 10.089 -12.206 -3.460 1.00 43.53 C ATOM 182 CG ASP A 11 10.019 -13.597 -4.059 1.00 71.21 C ATOM 183 OD1 ASP A 11 11.009 -14.350 -3.925 1.00 64.12 O ATOM 184 OD2 ASP A 11 8.982 -13.945 -4.660 1.00 65.15 O ATOM 0 H ASP A 11 7.679 -11.953 -2.669 1.00 31.33 H new ATOM 0 HA ASP A 11 10.106 -13.038 -1.473 1.00 41.04 H new ATOM 0 HB2 ASP A 11 9.452 -11.532 -4.033 1.00 43.53 H new ATOM 0 HB3 ASP A 11 11.108 -11.827 -3.541 1.00 43.53 H new ATOM 189 N LYS A 12 11.069 -11.062 -0.363 1.00 43.12 N ATOM 190 CA LYS A 12 11.661 -9.921 0.342 1.00 71.12 C ATOM 191 C LYS A 12 12.489 -9.038 -0.604 1.00 62.42 C ATOM 192 O LYS A 12 12.861 -7.924 -0.255 1.00 1.43 O ATOM 193 CB LYS A 12 12.524 -10.409 1.514 1.00 62.10 C ATOM 194 CG LYS A 12 11.719 -11.064 2.634 1.00 53.40 C ATOM 195 CD LYS A 12 10.702 -10.096 3.235 1.00 21.15 C ATOM 196 CE LYS A 12 9.888 -10.738 4.351 1.00 34.11 C ATOM 197 NZ LYS A 12 10.743 -11.170 5.487 1.00 64.34 N ATOM 0 H LYS A 12 11.424 -11.970 -0.062 1.00 43.12 H new ATOM 0 HA LYS A 12 10.846 -9.311 0.732 1.00 71.12 H new ATOM 0 HB2 LYS A 12 13.259 -11.122 1.141 1.00 62.10 H new ATOM 0 HB3 LYS A 12 13.079 -9.564 1.923 1.00 62.10 H new ATOM 0 HG2 LYS A 12 11.202 -11.942 2.246 1.00 53.40 H new ATOM 0 HG3 LYS A 12 12.396 -11.412 3.414 1.00 53.40 H new ATOM 0 HD2 LYS A 12 11.222 -9.220 3.624 1.00 21.15 H new ATOM 0 HD3 LYS A 12 10.029 -9.746 2.452 1.00 21.15 H new ATOM 0 HE2 LYS A 12 9.141 -10.029 4.709 1.00 34.11 H new ATOM 0 HE3 LYS A 12 9.348 -11.598 3.956 1.00 34.11 H new ATOM 0 HZ1 LYS A 12 10.142 -11.428 6.296 1.00 64.34 H new ATOM 0 HZ2 LYS A 12 11.310 -11.993 5.201 1.00 64.34 H new ATOM 0 HZ3 LYS A 12 11.376 -10.392 5.761 1.00 64.34 H new ATOM 211 N LYS A 13 12.757 -9.534 -1.808 1.00 32.53 N ATOM 212 CA LYS A 13 13.471 -8.748 -2.818 1.00 20.34 C ATOM 213 C LYS A 13 12.598 -7.567 -3.259 1.00 32.43 C ATOM 214 O LYS A 13 13.037 -6.417 -3.284 1.00 53.53 O ATOM 215 CB LYS A 13 13.835 -9.604 -4.046 1.00 12.23 C ATOM 216 CG LYS A 13 14.667 -10.857 -3.743 1.00 52.10 C ATOM 217 CD LYS A 13 13.800 -12.033 -3.283 1.00 20.53 C ATOM 218 CE LYS A 13 14.560 -13.354 -3.301 1.00 61.42 C ATOM 219 NZ LYS A 13 13.664 -14.509 -3.023 1.00 41.21 N ATOM 0 H LYS A 13 12.493 -10.472 -2.111 1.00 32.53 H new ATOM 0 HA LYS A 13 14.397 -8.385 -2.372 1.00 20.34 H new ATOM 0 HB2 LYS A 13 12.914 -9.910 -4.542 1.00 12.23 H new ATOM 0 HB3 LYS A 13 14.386 -8.983 -4.752 1.00 12.23 H new ATOM 0 HG2 LYS A 13 15.223 -11.146 -4.635 1.00 52.10 H new ATOM 0 HG3 LYS A 13 15.401 -10.625 -2.971 1.00 52.10 H new ATOM 0 HD2 LYS A 13 13.435 -11.840 -2.274 1.00 20.53 H new ATOM 0 HD3 LYS A 13 12.925 -12.111 -3.929 1.00 20.53 H new ATOM 0 HE2 LYS A 13 15.035 -13.487 -4.273 1.00 61.42 H new ATOM 0 HE3 LYS A 13 15.357 -13.325 -2.558 1.00 61.42 H new ATOM 0 HZ1 LYS A 13 14.005 -15.345 -3.539 1.00 41.21 H new ATOM 0 HZ2 LYS A 13 13.662 -14.709 -2.002 1.00 41.21 H new ATOM 0 HZ3 LYS A 13 12.698 -14.281 -3.333 1.00 41.21 H new ATOM 233 N LEU A 14 11.342 -7.877 -3.575 1.00 61.35 N ATOM 234 CA LEU A 14 10.355 -6.870 -3.967 1.00 72.32 C ATOM 235 C LEU A 14 10.058 -5.931 -2.786 1.00 61.35 C ATOM 236 O LEU A 14 10.040 -4.707 -2.932 1.00 61.33 O ATOM 237 CB LEU A 14 9.072 -7.587 -4.448 1.00 21.51 C ATOM 238 CG LEU A 14 7.990 -6.717 -5.130 1.00 42.13 C ATOM 239 CD1 LEU A 14 7.032 -7.596 -5.929 1.00 2.24 C ATOM 240 CD2 LEU A 14 7.204 -5.889 -4.114 1.00 11.50 C ATOM 0 H LEU A 14 10.980 -8.830 -3.567 1.00 61.35 H new ATOM 0 HA LEU A 14 10.747 -6.262 -4.782 1.00 72.32 H new ATOM 0 HB2 LEU A 14 9.365 -8.371 -5.146 1.00 21.51 H new ATOM 0 HB3 LEU A 14 8.617 -8.079 -3.588 1.00 21.51 H new ATOM 0 HG LEU A 14 8.501 -6.028 -5.802 1.00 42.13 H new ATOM 0 HD11 LEU A 14 6.275 -6.971 -6.404 1.00 2.24 H new ATOM 0 HD12 LEU A 14 7.588 -8.138 -6.694 1.00 2.24 H new ATOM 0 HD13 LEU A 14 6.548 -8.307 -5.260 1.00 2.24 H new ATOM 0 HD21 LEU A 14 6.454 -5.292 -4.633 1.00 11.50 H new ATOM 0 HD22 LEU A 14 6.711 -6.555 -3.406 1.00 11.50 H new ATOM 0 HD23 LEU A 14 7.885 -5.229 -3.578 1.00 11.50 H new ATOM 252 N ILE A 15 9.846 -6.523 -1.611 1.00 64.00 N ATOM 253 CA ILE A 15 9.496 -5.764 -0.402 1.00 64.35 C ATOM 254 C ILE A 15 10.617 -4.805 0.040 1.00 32.51 C ATOM 255 O ILE A 15 10.375 -3.618 0.266 1.00 41.40 O ATOM 256 CB ILE A 15 9.150 -6.718 0.775 1.00 61.43 C ATOM 257 CG1 ILE A 15 7.991 -7.653 0.384 1.00 14.22 C ATOM 258 CG2 ILE A 15 8.797 -5.923 2.036 1.00 51.21 C ATOM 259 CD1 ILE A 15 7.594 -8.638 1.468 1.00 23.22 C ATOM 0 H ILE A 15 9.910 -7.531 -1.466 1.00 64.00 H new ATOM 0 HA ILE A 15 8.622 -5.167 -0.663 1.00 64.35 H new ATOM 0 HB ILE A 15 10.029 -7.325 0.992 1.00 61.43 H new ATOM 0 HG12 ILE A 15 7.123 -7.048 0.123 1.00 14.22 H new ATOM 0 HG13 ILE A 15 8.273 -8.208 -0.511 1.00 14.22 H new ATOM 0 HG21 ILE A 15 8.559 -6.612 2.846 1.00 51.21 H new ATOM 0 HG22 ILE A 15 9.646 -5.303 2.325 1.00 51.21 H new ATOM 0 HG23 ILE A 15 7.935 -5.287 1.836 1.00 51.21 H new ATOM 0 HD11 ILE A 15 6.772 -9.259 1.112 1.00 23.22 H new ATOM 0 HD12 ILE A 15 8.446 -9.271 1.714 1.00 23.22 H new ATOM 0 HD13 ILE A 15 7.278 -8.093 2.357 1.00 23.22 H new ATOM 271 N GLU A 16 11.840 -5.315 0.165 1.00 73.45 N ATOM 272 CA GLU A 16 12.954 -4.508 0.677 1.00 64.23 C ATOM 273 C GLU A 16 13.343 -3.370 -0.278 1.00 4.51 C ATOM 274 O GLU A 16 13.682 -2.276 0.170 1.00 22.32 O ATOM 275 CB GLU A 16 14.169 -5.388 0.992 1.00 34.52 C ATOM 276 CG GLU A 16 13.912 -6.392 2.116 1.00 31.43 C ATOM 277 CD GLU A 16 15.141 -7.210 2.476 1.00 21.31 C ATOM 278 OE1 GLU A 16 16.005 -6.696 3.222 1.00 53.32 O ATOM 279 OE2 GLU A 16 15.255 -8.366 2.022 1.00 65.14 O ATOM 0 H GLU A 16 12.088 -6.274 -0.078 1.00 73.45 H new ATOM 0 HA GLU A 16 12.607 -4.046 1.601 1.00 64.23 H new ATOM 0 HB2 GLU A 16 14.461 -5.928 0.091 1.00 34.52 H new ATOM 0 HB3 GLU A 16 15.009 -4.751 1.268 1.00 34.52 H new ATOM 0 HG2 GLU A 16 13.567 -5.857 3.001 1.00 31.43 H new ATOM 0 HG3 GLU A 16 13.109 -7.066 1.817 1.00 31.43 H new ATOM 286 N GLU A 17 13.300 -3.610 -1.589 1.00 0.25 N ATOM 287 CA GLU A 17 13.552 -2.531 -2.552 1.00 42.42 C ATOM 288 C GLU A 17 12.445 -1.470 -2.485 1.00 60.12 C ATOM 289 O GLU A 17 12.702 -0.275 -2.656 1.00 61.23 O ATOM 290 CB GLU A 17 13.700 -3.061 -3.986 1.00 13.33 C ATOM 291 CG GLU A 17 15.011 -3.807 -4.238 1.00 20.02 C ATOM 292 CD GLU A 17 15.432 -3.776 -5.704 1.00 14.22 C ATOM 293 OE1 GLU A 17 16.030 -2.762 -6.131 1.00 24.30 O ATOM 294 OE2 GLU A 17 15.176 -4.753 -6.438 1.00 62.51 O ATOM 0 H GLU A 17 13.098 -4.519 -2.004 1.00 0.25 H new ATOM 0 HA GLU A 17 14.499 -2.069 -2.274 1.00 42.42 H new ATOM 0 HB2 GLU A 17 12.866 -3.728 -4.204 1.00 13.33 H new ATOM 0 HB3 GLU A 17 13.630 -2.224 -4.681 1.00 13.33 H new ATOM 0 HG2 GLU A 17 15.799 -3.365 -3.628 1.00 20.02 H new ATOM 0 HG3 GLU A 17 14.903 -4.843 -3.917 1.00 20.02 H new ATOM 301 N ALA A 18 11.216 -1.911 -2.224 1.00 53.43 N ATOM 302 CA ALA A 18 10.099 -0.992 -1.995 1.00 2.20 C ATOM 303 C ALA A 18 10.343 -0.135 -0.739 1.00 53.34 C ATOM 304 O ALA A 18 10.125 1.078 -0.745 1.00 40.03 O ATOM 305 CB ALA A 18 8.795 -1.773 -1.872 1.00 43.54 C ATOM 0 H ALA A 18 10.967 -2.898 -2.165 1.00 53.43 H new ATOM 0 HA ALA A 18 10.023 -0.319 -2.849 1.00 2.20 H new ATOM 0 HB1 ALA A 18 7.971 -1.080 -1.702 1.00 43.54 H new ATOM 0 HB2 ALA A 18 8.617 -2.330 -2.792 1.00 43.54 H new ATOM 0 HB3 ALA A 18 8.864 -2.467 -1.035 1.00 43.54 H new ATOM 311 N ARG A 19 10.806 -0.781 0.337 1.00 72.25 N ATOM 312 CA ARG A 19 11.181 -0.081 1.577 1.00 14.02 C ATOM 313 C ARG A 19 12.237 1.002 1.307 1.00 52.05 C ATOM 314 O ARG A 19 12.135 2.126 1.797 1.00 72.31 O ATOM 315 CB ARG A 19 11.727 -1.084 2.603 1.00 65.21 C ATOM 316 CG ARG A 19 10.700 -2.110 3.080 1.00 22.24 C ATOM 317 CD ARG A 19 11.335 -3.178 3.969 1.00 33.23 C ATOM 318 NE ARG A 19 12.084 -2.592 5.080 1.00 51.02 N ATOM 319 CZ ARG A 19 11.938 -2.935 6.328 1.00 60.11 C ATOM 320 NH1 ARG A 19 11.087 -3.844 6.671 1.00 71.11 N ATOM 321 NH2 ARG A 19 12.653 -2.364 7.237 1.00 45.11 N ATOM 0 H ARG A 19 10.931 -1.792 0.377 1.00 72.25 H new ATOM 0 HA ARG A 19 10.287 0.400 1.974 1.00 14.02 H new ATOM 0 HB2 ARG A 19 12.574 -1.611 2.165 1.00 65.21 H new ATOM 0 HB3 ARG A 19 12.105 -0.536 3.466 1.00 65.21 H new ATOM 0 HG2 ARG A 19 9.908 -1.602 3.631 1.00 22.24 H new ATOM 0 HG3 ARG A 19 10.234 -2.586 2.217 1.00 22.24 H new ATOM 0 HD2 ARG A 19 10.557 -3.832 4.362 1.00 33.23 H new ATOM 0 HD3 ARG A 19 12.001 -3.799 3.370 1.00 33.23 H new ATOM 0 HE ARG A 19 12.767 -1.866 4.863 1.00 51.02 H new ATOM 0 HH11 ARG A 19 10.518 -4.304 5.960 1.00 71.11 H new ATOM 0 HH12 ARG A 19 10.984 -4.102 7.652 1.00 71.11 H new ATOM 0 HH21 ARG A 19 13.330 -1.646 6.977 1.00 45.11 H new ATOM 0 HH22 ARG A 19 12.541 -2.630 8.215 1.00 45.11 H new ATOM 335 N LYS A 20 13.253 0.646 0.521 1.00 2.53 N ATOM 336 CA LYS A 20 14.317 1.582 0.140 1.00 52.03 C ATOM 337 C LYS A 20 13.744 2.848 -0.520 1.00 34.32 C ATOM 338 O LYS A 20 14.140 3.968 -0.190 1.00 14.13 O ATOM 339 CB LYS A 20 15.301 0.880 -0.806 1.00 35.31 C ATOM 340 CG LYS A 20 16.045 -0.282 -0.151 1.00 34.52 C ATOM 341 CD LYS A 20 16.847 -1.099 -1.160 1.00 60.23 C ATOM 342 CE LYS A 20 17.669 -2.186 -0.478 1.00 1.32 C ATOM 343 NZ LYS A 20 16.813 -3.147 0.268 1.00 63.14 N ATOM 0 H LYS A 20 13.364 -0.290 0.132 1.00 2.53 H new ATOM 0 HA LYS A 20 14.842 1.895 1.043 1.00 52.03 H new ATOM 0 HB2 LYS A 20 14.757 0.510 -1.675 1.00 35.31 H new ATOM 0 HB3 LYS A 20 16.026 1.608 -1.170 1.00 35.31 H new ATOM 0 HG2 LYS A 20 16.717 0.105 0.615 1.00 34.52 H new ATOM 0 HG3 LYS A 20 15.329 -0.932 0.352 1.00 34.52 H new ATOM 0 HD2 LYS A 20 16.168 -1.554 -1.881 1.00 60.23 H new ATOM 0 HD3 LYS A 20 17.510 -0.438 -1.719 1.00 60.23 H new ATOM 0 HE2 LYS A 20 18.251 -2.724 -1.227 1.00 1.32 H new ATOM 0 HE3 LYS A 20 18.380 -1.726 0.208 1.00 1.32 H new ATOM 0 HZ1 LYS A 20 17.394 -3.942 0.602 1.00 63.14 H new ATOM 0 HZ2 LYS A 20 16.381 -2.667 1.083 1.00 63.14 H new ATOM 0 HZ3 LYS A 20 16.065 -3.505 -0.359 1.00 63.14 H new ATOM 357 N MET A 21 12.805 2.664 -1.444 1.00 71.11 N ATOM 358 CA MET A 21 12.126 3.794 -2.087 1.00 33.20 C ATOM 359 C MET A 21 11.236 4.559 -1.097 1.00 32.54 C ATOM 360 O MET A 21 11.122 5.783 -1.172 1.00 50.53 O ATOM 361 CB MET A 21 11.295 3.312 -3.279 1.00 33.33 C ATOM 362 CG MET A 21 12.136 2.965 -4.497 1.00 61.30 C ATOM 363 SD MET A 21 13.142 4.355 -5.054 1.00 51.44 S ATOM 364 CE MET A 21 11.885 5.627 -5.253 1.00 32.41 C ATOM 0 H MET A 21 12.495 1.747 -1.766 1.00 71.11 H new ATOM 0 HA MET A 21 12.896 4.479 -2.442 1.00 33.20 H new ATOM 0 HB2 MET A 21 10.720 2.435 -2.981 1.00 33.33 H new ATOM 0 HB3 MET A 21 10.578 4.087 -3.550 1.00 33.33 H new ATOM 0 HG2 MET A 21 12.785 2.122 -4.259 1.00 61.30 H new ATOM 0 HG3 MET A 21 11.482 2.645 -5.308 1.00 61.30 H new ATOM 0 HE1 MET A 21 12.094 6.208 -6.151 1.00 32.41 H new ATOM 0 HE2 MET A 21 10.905 5.159 -5.344 1.00 32.41 H new ATOM 0 HE3 MET A 21 11.893 6.286 -4.385 1.00 32.41 H new ATOM 374 N ALA A 22 10.607 3.837 -0.173 1.00 73.52 N ATOM 375 CA ALA A 22 9.785 4.464 0.865 1.00 43.35 C ATOM 376 C ALA A 22 10.614 5.434 1.721 1.00 44.12 C ATOM 377 O ALA A 22 10.113 6.461 2.180 1.00 33.03 O ATOM 378 CB ALA A 22 9.138 3.400 1.741 1.00 53.02 C ATOM 0 H ALA A 22 10.649 2.819 -0.120 1.00 73.52 H new ATOM 0 HA ALA A 22 9.001 5.039 0.373 1.00 43.35 H new ATOM 0 HB1 ALA A 22 8.530 3.880 2.508 1.00 53.02 H new ATOM 0 HB2 ALA A 22 8.507 2.758 1.127 1.00 53.02 H new ATOM 0 HB3 ALA A 22 9.913 2.799 2.216 1.00 53.02 H new ATOM 384 N GLU A 23 11.886 5.097 1.929 1.00 13.23 N ATOM 385 CA GLU A 23 12.819 5.974 2.644 1.00 44.41 C ATOM 386 C GLU A 23 13.146 7.235 1.827 1.00 23.01 C ATOM 387 O GLU A 23 13.192 8.336 2.368 1.00 41.41 O ATOM 388 CB GLU A 23 14.105 5.211 2.986 1.00 11.11 C ATOM 389 CG GLU A 23 13.895 4.060 3.966 1.00 52.15 C ATOM 390 CD GLU A 23 13.367 4.530 5.315 1.00 35.21 C ATOM 391 OE1 GLU A 23 12.133 4.622 5.481 1.00 33.55 O ATOM 392 OE2 GLU A 23 14.189 4.812 6.216 1.00 13.32 O ATOM 0 H GLU A 23 12.298 4.219 1.612 1.00 13.23 H new ATOM 0 HA GLU A 23 12.337 6.294 3.568 1.00 44.41 H new ATOM 0 HB2 GLU A 23 14.539 4.819 2.066 1.00 11.11 H new ATOM 0 HB3 GLU A 23 14.829 5.908 3.408 1.00 11.11 H new ATOM 0 HG2 GLU A 23 13.195 3.344 3.535 1.00 52.15 H new ATOM 0 HG3 GLU A 23 14.839 3.535 4.112 1.00 52.15 H new ATOM 399 N LYS A 24 13.373 7.068 0.524 1.00 3.24 N ATOM 400 CA LYS A 24 13.582 8.211 -0.378 1.00 14.00 C ATOM 401 C LYS A 24 12.351 9.133 -0.388 1.00 1.53 C ATOM 402 O LYS A 24 12.471 10.357 -0.315 1.00 22.51 O ATOM 403 CB LYS A 24 13.897 7.729 -1.808 1.00 31.34 C ATOM 404 CG LYS A 24 15.377 7.435 -2.066 1.00 74.52 C ATOM 405 CD LYS A 24 15.953 6.403 -1.099 1.00 62.44 C ATOM 406 CE LYS A 24 17.439 6.163 -1.348 1.00 14.44 C ATOM 407 NZ LYS A 24 18.046 5.302 -0.300 1.00 40.43 N ATOM 0 H LYS A 24 13.418 6.157 0.067 1.00 3.24 H new ATOM 0 HA LYS A 24 14.436 8.778 -0.007 1.00 14.00 H new ATOM 0 HB2 LYS A 24 13.320 6.827 -2.009 1.00 31.34 H new ATOM 0 HB3 LYS A 24 13.561 8.487 -2.516 1.00 31.34 H new ATOM 0 HG2 LYS A 24 15.499 7.076 -3.088 1.00 74.52 H new ATOM 0 HG3 LYS A 24 15.946 8.361 -1.984 1.00 74.52 H new ATOM 0 HD2 LYS A 24 15.806 6.743 -0.074 1.00 62.44 H new ATOM 0 HD3 LYS A 24 15.410 5.464 -1.204 1.00 62.44 H new ATOM 0 HE2 LYS A 24 17.572 5.696 -2.324 1.00 14.44 H new ATOM 0 HE3 LYS A 24 17.961 7.120 -1.379 1.00 14.44 H new ATOM 0 HZ1 LYS A 24 19.056 5.164 -0.506 1.00 40.43 H new ATOM 0 HZ2 LYS A 24 17.942 5.759 0.628 1.00 40.43 H new ATOM 0 HZ3 LYS A 24 17.566 4.380 -0.287 1.00 40.43 H new ATOM 421 N ALA A 25 11.170 8.532 -0.470 1.00 42.04 N ATOM 422 CA ALA A 25 9.910 9.283 -0.462 1.00 64.35 C ATOM 423 C ALA A 25 9.506 9.720 0.959 1.00 42.01 C ATOM 424 O ALA A 25 8.587 10.516 1.131 1.00 31.50 O ATOM 425 CB ALA A 25 8.808 8.439 -1.093 1.00 62.44 C ATOM 0 H ALA A 25 11.053 7.521 -0.543 1.00 42.04 H new ATOM 0 HA ALA A 25 10.056 10.191 -1.046 1.00 64.35 H new ATOM 0 HB1 ALA A 25 7.872 8.998 -1.086 1.00 62.44 H new ATOM 0 HB2 ALA A 25 9.079 8.197 -2.121 1.00 62.44 H new ATOM 0 HB3 ALA A 25 8.684 7.518 -0.524 1.00 62.44 H new ATOM 431 N ASN A 26 10.201 9.182 1.969 1.00 31.44 N ATOM 432 CA ASN A 26 9.924 9.491 3.383 1.00 61.40 C ATOM 433 C ASN A 26 8.504 9.064 3.795 1.00 54.21 C ATOM 434 O ASN A 26 7.939 9.584 4.759 1.00 32.35 O ATOM 435 CB ASN A 26 10.136 10.986 3.667 1.00 74.32 C ATOM 436 CG ASN A 26 11.569 11.435 3.431 1.00 11.11 C ATOM 437 OD1 ASN A 26 11.820 12.572 3.047 1.00 70.11 O ATOM 438 ND2 ASN A 26 12.528 10.563 3.681 1.00 54.44 N ATOM 0 H ASN A 26 10.968 8.523 1.833 1.00 31.44 H new ATOM 0 HA ASN A 26 10.630 8.916 3.983 1.00 61.40 H new ATOM 0 HB2 ASN A 26 9.469 11.569 3.033 1.00 74.32 H new ATOM 0 HB3 ASN A 26 9.860 11.197 4.700 1.00 74.32 H new ATOM 0 HD21 ASN A 26 13.505 10.829 3.556 1.00 54.44 H new ATOM 0 HD22 ASN A 26 12.292 9.623 4.000 1.00 54.44 H new ATOM 445 N LEU A 27 7.950 8.092 3.075 1.00 42.14 N ATOM 446 CA LEU A 27 6.601 7.588 3.349 1.00 31.13 C ATOM 447 C LEU A 27 6.654 6.322 4.216 1.00 5.32 C ATOM 448 O LEU A 27 7.525 5.469 4.034 1.00 44.23 O ATOM 449 CB LEU A 27 5.871 7.290 2.030 1.00 55.41 C ATOM 450 CG LEU A 27 5.777 8.474 1.047 1.00 54.43 C ATOM 451 CD1 LEU A 27 4.987 8.085 -0.202 1.00 52.42 C ATOM 452 CD2 LEU A 27 5.159 9.698 1.727 1.00 45.23 C ATOM 0 H LEU A 27 8.415 7.633 2.292 1.00 42.14 H new ATOM 0 HA LEU A 27 6.055 8.356 3.896 1.00 31.13 H new ATOM 0 HB2 LEU A 27 6.379 6.465 1.531 1.00 55.41 H new ATOM 0 HB3 LEU A 27 4.862 6.950 2.261 1.00 55.41 H new ATOM 0 HG LEU A 27 6.788 8.736 0.736 1.00 54.43 H new ATOM 0 HD11 LEU A 27 4.935 8.937 -0.880 1.00 52.42 H new ATOM 0 HD12 LEU A 27 5.483 7.253 -0.702 1.00 52.42 H new ATOM 0 HD13 LEU A 27 3.978 7.787 0.084 1.00 52.42 H new ATOM 0 HD21 LEU A 27 5.103 10.521 1.014 1.00 45.23 H new ATOM 0 HD22 LEU A 27 4.156 9.452 2.077 1.00 45.23 H new ATOM 0 HD23 LEU A 27 5.777 9.994 2.575 1.00 45.23 H new ATOM 464 N GLU A 28 5.722 6.201 5.159 1.00 51.42 N ATOM 465 CA GLU A 28 5.670 5.030 6.042 1.00 53.14 C ATOM 466 C GLU A 28 5.119 3.796 5.304 1.00 62.21 C ATOM 467 O GLU A 28 3.938 3.740 4.950 1.00 54.41 O ATOM 468 CB GLU A 28 4.824 5.331 7.290 1.00 22.34 C ATOM 469 CG GLU A 28 5.400 6.434 8.178 1.00 24.01 C ATOM 470 CD GLU A 28 4.624 6.617 9.479 1.00 15.14 C ATOM 471 OE1 GLU A 28 4.751 5.753 10.375 1.00 10.10 O ATOM 472 OE2 GLU A 28 3.897 7.623 9.619 1.00 41.44 O ATOM 0 H GLU A 28 4.994 6.894 5.334 1.00 51.42 H new ATOM 0 HA GLU A 28 6.689 4.805 6.356 1.00 53.14 H new ATOM 0 HB2 GLU A 28 3.820 5.618 6.976 1.00 22.34 H new ATOM 0 HB3 GLU A 28 4.725 4.419 7.879 1.00 22.34 H new ATOM 0 HG2 GLU A 28 6.439 6.200 8.411 1.00 24.01 H new ATOM 0 HG3 GLU A 28 5.401 7.374 7.626 1.00 24.01 H new ATOM 479 N LEU A 29 5.986 2.814 5.068 1.00 0.43 N ATOM 480 CA LEU A 29 5.600 1.579 4.373 1.00 63.22 C ATOM 481 C LEU A 29 5.310 0.447 5.374 1.00 22.23 C ATOM 482 O LEU A 29 6.157 0.097 6.199 1.00 55.22 O ATOM 483 CB LEU A 29 6.711 1.172 3.384 1.00 4.03 C ATOM 484 CG LEU A 29 6.435 -0.076 2.509 1.00 23.22 C ATOM 485 CD1 LEU A 29 7.224 -0.001 1.204 1.00 41.30 C ATOM 486 CD2 LEU A 29 6.790 -1.367 3.252 1.00 34.44 C ATOM 0 H LEU A 29 6.966 2.846 5.348 1.00 0.43 H new ATOM 0 HA LEU A 29 4.682 1.762 3.815 1.00 63.22 H new ATOM 0 HB2 LEU A 29 6.905 2.016 2.722 1.00 4.03 H new ATOM 0 HB3 LEU A 29 7.625 0.995 3.951 1.00 4.03 H new ATOM 0 HG LEU A 29 5.369 -0.089 2.284 1.00 23.22 H new ATOM 0 HD11 LEU A 29 7.017 -0.886 0.603 1.00 41.30 H new ATOM 0 HD12 LEU A 29 6.929 0.891 0.651 1.00 41.30 H new ATOM 0 HD13 LEU A 29 8.290 0.046 1.426 1.00 41.30 H new ATOM 0 HD21 LEU A 29 6.585 -2.224 2.611 1.00 34.44 H new ATOM 0 HD22 LEU A 29 7.848 -1.356 3.516 1.00 34.44 H new ATOM 0 HD23 LEU A 29 6.191 -1.441 4.159 1.00 34.44 H new ATOM 498 N ARG A 30 4.105 -0.115 5.299 1.00 72.35 N ATOM 499 CA ARG A 30 3.699 -1.233 6.162 1.00 22.55 C ATOM 500 C ARG A 30 3.530 -2.524 5.337 1.00 30.53 C ATOM 501 O ARG A 30 2.996 -2.496 4.227 1.00 12.44 O ATOM 502 CB ARG A 30 2.376 -0.904 6.871 1.00 54.44 C ATOM 503 CG ARG A 30 2.368 0.409 7.662 1.00 52.34 C ATOM 504 CD ARG A 30 3.276 0.379 8.896 1.00 22.52 C ATOM 505 NE ARG A 30 4.694 0.537 8.565 1.00 14.52 N ATOM 506 CZ ARG A 30 5.532 1.276 9.248 1.00 1.43 C ATOM 507 NH1 ARG A 30 5.132 1.940 10.287 1.00 15.34 N ATOM 508 NH2 ARG A 30 6.770 1.356 8.886 1.00 62.25 N ATOM 0 H ARG A 30 3.383 0.186 4.644 1.00 72.35 H new ATOM 0 HA ARG A 30 4.480 -1.388 6.906 1.00 22.55 H new ATOM 0 HB2 ARG A 30 1.582 -0.865 6.125 1.00 54.44 H new ATOM 0 HB3 ARG A 30 2.134 -1.721 7.551 1.00 54.44 H new ATOM 0 HG2 ARG A 30 2.683 1.221 7.007 1.00 52.34 H new ATOM 0 HG3 ARG A 30 1.348 0.630 7.976 1.00 52.34 H new ATOM 0 HD2 ARG A 30 2.977 1.173 9.580 1.00 22.52 H new ATOM 0 HD3 ARG A 30 3.134 -0.565 9.422 1.00 22.52 H new ATOM 0 HE ARG A 30 5.052 0.039 7.750 1.00 14.52 H new ATOM 0 HH11 ARG A 30 4.156 1.890 10.580 1.00 15.34 H new ATOM 0 HH12 ARG A 30 5.793 2.513 10.812 1.00 15.34 H new ATOM 0 HH21 ARG A 30 7.096 0.843 8.067 1.00 62.25 H new ATOM 0 HH22 ARG A 30 7.421 1.932 9.419 1.00 62.25 H new ATOM 522 N THR A 31 3.979 -3.653 5.883 1.00 62.13 N ATOM 523 CA THR A 31 3.881 -4.945 5.184 1.00 42.30 C ATOM 524 C THR A 31 2.639 -5.730 5.630 1.00 50.30 C ATOM 525 O THR A 31 2.445 -5.981 6.821 1.00 41.25 O ATOM 526 CB THR A 31 5.143 -5.820 5.405 1.00 64.33 C ATOM 527 OG1 THR A 31 5.304 -6.143 6.797 1.00 71.42 O ATOM 528 CG2 THR A 31 6.393 -5.104 4.904 1.00 43.44 C ATOM 0 H THR A 31 4.414 -3.705 6.804 1.00 62.13 H new ATOM 0 HA THR A 31 3.798 -4.714 4.122 1.00 42.30 H new ATOM 0 HB THR A 31 5.008 -6.742 4.839 1.00 64.33 H new ATOM 0 HG1 THR A 31 4.432 -6.108 7.244 1.00 71.42 H new ATOM 0 HG21 THR A 31 7.265 -5.736 5.069 1.00 43.44 H new ATOM 0 HG22 THR A 31 6.291 -4.897 3.839 1.00 43.44 H new ATOM 0 HG23 THR A 31 6.517 -4.166 5.446 1.00 43.44 H new ATOM 536 N VAL A 32 1.802 -6.113 4.671 1.00 41.12 N ATOM 537 CA VAL A 32 0.553 -6.828 4.958 1.00 34.21 C ATOM 538 C VAL A 32 0.691 -8.336 4.694 1.00 1.24 C ATOM 539 O VAL A 32 1.256 -8.750 3.682 1.00 53.30 O ATOM 540 CB VAL A 32 -0.609 -6.263 4.105 1.00 61.21 C ATOM 541 CG1 VAL A 32 -1.906 -7.031 4.355 1.00 45.33 C ATOM 542 CG2 VAL A 32 -0.802 -4.772 4.377 1.00 23.35 C ATOM 0 H VAL A 32 1.964 -5.941 3.679 1.00 41.12 H new ATOM 0 HA VAL A 32 0.334 -6.680 6.015 1.00 34.21 H new ATOM 0 HB VAL A 32 -0.345 -6.390 3.055 1.00 61.21 H new ATOM 0 HG11 VAL A 32 -2.702 -6.610 3.741 1.00 45.33 H new ATOM 0 HG12 VAL A 32 -1.764 -8.080 4.095 1.00 45.33 H new ATOM 0 HG13 VAL A 32 -2.179 -6.952 5.407 1.00 45.33 H new ATOM 0 HG21 VAL A 32 -1.623 -4.394 3.768 1.00 23.35 H new ATOM 0 HG22 VAL A 32 -1.033 -4.621 5.431 1.00 23.35 H new ATOM 0 HG23 VAL A 32 0.113 -4.235 4.126 1.00 23.35 H new ATOM 552 N LYS A 33 0.167 -9.151 5.611 1.00 71.33 N ATOM 553 CA LYS A 33 0.253 -10.613 5.490 1.00 44.33 C ATOM 554 C LYS A 33 -1.074 -11.242 5.028 1.00 33.35 C ATOM 555 O LYS A 33 -1.080 -12.168 4.218 1.00 53.25 O ATOM 556 CB LYS A 33 0.669 -11.229 6.832 1.00 25.24 C ATOM 557 CG LYS A 33 1.992 -10.695 7.374 1.00 52.12 C ATOM 558 CD LYS A 33 2.393 -11.402 8.667 1.00 62.33 C ATOM 559 CE LYS A 33 3.674 -10.826 9.259 1.00 72.30 C ATOM 560 NZ LYS A 33 4.833 -10.965 8.338 1.00 21.12 N ATOM 0 H LYS A 33 -0.321 -8.827 6.446 1.00 71.33 H new ATOM 0 HA LYS A 33 1.004 -10.827 4.730 1.00 44.33 H new ATOM 0 HB2 LYS A 33 -0.115 -11.041 7.565 1.00 25.24 H new ATOM 0 HB3 LYS A 33 0.745 -12.310 6.716 1.00 25.24 H new ATOM 0 HG2 LYS A 33 2.774 -10.830 6.627 1.00 52.12 H new ATOM 0 HG3 LYS A 33 1.906 -9.624 7.555 1.00 52.12 H new ATOM 0 HD2 LYS A 33 1.586 -11.313 9.394 1.00 62.33 H new ATOM 0 HD3 LYS A 33 2.530 -12.465 8.471 1.00 62.33 H new ATOM 0 HE2 LYS A 33 3.522 -9.772 9.492 1.00 72.30 H new ATOM 0 HE3 LYS A 33 3.897 -11.331 10.199 1.00 72.30 H new ATOM 0 HZ1 LYS A 33 5.702 -10.669 8.827 1.00 21.12 H new ATOM 0 HZ2 LYS A 33 4.923 -11.958 8.041 1.00 21.12 H new ATOM 0 HZ3 LYS A 33 4.685 -10.366 7.501 1.00 21.12 H new ATOM 574 N THR A 34 -2.192 -10.758 5.571 1.00 62.32 N ATOM 575 CA THR A 34 -3.520 -11.313 5.245 1.00 34.10 C ATOM 576 C THR A 34 -4.543 -10.210 4.954 1.00 21.12 C ATOM 577 O THR A 34 -4.313 -9.036 5.250 1.00 23.43 O ATOM 578 CB THR A 34 -4.088 -12.175 6.402 1.00 55.51 C ATOM 579 OG1 THR A 34 -4.405 -11.341 7.529 1.00 73.34 O ATOM 580 CG2 THR A 34 -3.104 -13.261 6.829 1.00 4.14 C ATOM 0 H THR A 34 -2.212 -9.986 6.237 1.00 62.32 H new ATOM 0 HA THR A 34 -3.367 -11.929 4.359 1.00 34.10 H new ATOM 0 HB THR A 34 -4.993 -12.661 6.038 1.00 55.51 H new ATOM 0 HG1 THR A 34 -4.765 -11.894 8.254 1.00 73.34 H new ATOM 0 HG21 THR A 34 -3.536 -13.845 7.642 1.00 4.14 H new ATOM 0 HG22 THR A 34 -2.895 -13.916 5.983 1.00 4.14 H new ATOM 0 HG23 THR A 34 -2.177 -12.799 7.168 1.00 4.14 H new ATOM 588 N GLU A 35 -5.681 -10.604 4.383 1.00 11.43 N ATOM 589 CA GLU A 35 -6.811 -9.689 4.164 1.00 10.34 C ATOM 590 C GLU A 35 -7.289 -9.066 5.494 1.00 73.42 C ATOM 591 O GLU A 35 -7.833 -7.960 5.523 1.00 51.15 O ATOM 592 CB GLU A 35 -7.947 -10.457 3.460 1.00 61.32 C ATOM 593 CG GLU A 35 -9.186 -9.624 3.110 1.00 62.10 C ATOM 594 CD GLU A 35 -10.334 -9.813 4.093 1.00 54.53 C ATOM 595 OE1 GLU A 35 -10.655 -10.975 4.419 1.00 74.13 O ATOM 596 OE2 GLU A 35 -10.940 -8.812 4.519 1.00 15.42 O ATOM 0 H GLU A 35 -5.849 -11.557 4.060 1.00 11.43 H new ATOM 0 HA GLU A 35 -6.491 -8.864 3.527 1.00 10.34 H new ATOM 0 HB2 GLU A 35 -7.553 -10.894 2.542 1.00 61.32 H new ATOM 0 HB3 GLU A 35 -8.255 -11.284 4.100 1.00 61.32 H new ATOM 0 HG2 GLU A 35 -8.911 -8.570 3.081 1.00 62.10 H new ATOM 0 HG3 GLU A 35 -9.525 -9.892 2.109 1.00 62.10 H new ATOM 603 N ASP A 36 -7.060 -9.777 6.600 1.00 61.42 N ATOM 604 CA ASP A 36 -7.379 -9.258 7.933 1.00 12.24 C ATOM 605 C ASP A 36 -6.342 -8.196 8.355 1.00 21.31 C ATOM 606 O ASP A 36 -6.691 -7.152 8.910 1.00 65.52 O ATOM 607 CB ASP A 36 -7.423 -10.407 8.949 1.00 13.42 C ATOM 608 CG ASP A 36 -8.063 -10.002 10.268 1.00 4.13 C ATOM 609 OD1 ASP A 36 -7.371 -9.410 11.118 1.00 30.24 O ATOM 610 OD2 ASP A 36 -9.269 -10.273 10.459 1.00 21.20 O ATOM 0 H ASP A 36 -6.655 -10.713 6.600 1.00 61.42 H new ATOM 0 HA ASP A 36 -8.361 -8.785 7.903 1.00 12.24 H new ATOM 0 HB2 ASP A 36 -7.978 -11.242 8.522 1.00 13.42 H new ATOM 0 HB3 ASP A 36 -6.409 -10.760 9.136 1.00 13.42 H new ATOM 615 N GLU A 37 -5.064 -8.466 8.065 1.00 23.14 N ATOM 616 CA GLU A 37 -3.982 -7.503 8.323 1.00 75.52 C ATOM 617 C GLU A 37 -4.219 -6.184 7.574 1.00 41.15 C ATOM 618 O GLU A 37 -4.082 -5.102 8.148 1.00 25.02 O ATOM 619 CB GLU A 37 -2.625 -8.091 7.909 1.00 52.31 C ATOM 620 CG GLU A 37 -2.165 -9.266 8.763 1.00 3.32 C ATOM 621 CD GLU A 37 -1.932 -8.876 10.213 1.00 44.14 C ATOM 622 OE1 GLU A 37 -1.023 -8.057 10.470 1.00 25.11 O ATOM 623 OE2 GLU A 37 -2.659 -9.375 11.097 1.00 11.05 O ATOM 0 H GLU A 37 -4.751 -9.344 7.651 1.00 23.14 H new ATOM 0 HA GLU A 37 -3.975 -7.298 9.394 1.00 75.52 H new ATOM 0 HB2 GLU A 37 -2.684 -8.413 6.869 1.00 52.31 H new ATOM 0 HB3 GLU A 37 -1.871 -7.305 7.957 1.00 52.31 H new ATOM 0 HG2 GLU A 37 -2.913 -10.058 8.719 1.00 3.32 H new ATOM 0 HG3 GLU A 37 -1.244 -9.674 8.347 1.00 3.32 H new ATOM 630 N LEU A 38 -4.570 -6.288 6.288 1.00 4.21 N ATOM 631 CA LEU A 38 -4.893 -5.116 5.457 1.00 63.14 C ATOM 632 C LEU A 38 -5.916 -4.223 6.185 1.00 52.01 C ATOM 633 O LEU A 38 -5.727 -3.013 6.319 1.00 2.24 O ATOM 634 CB LEU A 38 -5.447 -5.599 4.094 1.00 73.33 C ATOM 635 CG LEU A 38 -5.407 -4.596 2.916 1.00 65.03 C ATOM 636 CD1 LEU A 38 -6.369 -3.429 3.125 1.00 54.10 C ATOM 637 CD2 LEU A 38 -3.984 -4.091 2.685 1.00 14.01 C ATOM 0 H LEU A 38 -4.639 -7.178 5.794 1.00 4.21 H new ATOM 0 HA LEU A 38 -3.994 -4.524 5.282 1.00 63.14 H new ATOM 0 HB2 LEU A 38 -4.889 -6.488 3.799 1.00 73.33 H new ATOM 0 HB3 LEU A 38 -6.483 -5.906 4.240 1.00 73.33 H new ATOM 0 HG LEU A 38 -5.736 -5.130 2.024 1.00 65.03 H new ATOM 0 HD11 LEU A 38 -6.308 -2.750 2.274 1.00 54.10 H new ATOM 0 HD12 LEU A 38 -7.387 -3.808 3.214 1.00 54.10 H new ATOM 0 HD13 LEU A 38 -6.100 -2.894 4.036 1.00 54.10 H new ATOM 0 HD21 LEU A 38 -3.978 -3.387 1.853 1.00 14.01 H new ATOM 0 HD22 LEU A 38 -3.625 -3.592 3.585 1.00 14.01 H new ATOM 0 HD23 LEU A 38 -3.332 -4.933 2.452 1.00 14.01 H new ATOM 649 N LYS A 39 -6.983 -4.850 6.670 1.00 23.22 N ATOM 650 CA LYS A 39 -7.990 -4.175 7.494 1.00 22.31 C ATOM 651 C LYS A 39 -7.357 -3.483 8.717 1.00 62.05 C ATOM 652 O LYS A 39 -7.554 -2.286 8.932 1.00 45.02 O ATOM 653 CB LYS A 39 -9.024 -5.201 7.966 1.00 72.04 C ATOM 654 CG LYS A 39 -10.001 -4.676 9.016 1.00 71.00 C ATOM 655 CD LYS A 39 -10.696 -5.817 9.756 1.00 31.21 C ATOM 656 CE LYS A 39 -9.683 -6.776 10.381 1.00 23.33 C ATOM 657 NZ LYS A 39 -10.334 -7.826 11.204 1.00 74.24 N ATOM 0 H LYS A 39 -7.177 -5.838 6.506 1.00 23.22 H new ATOM 0 HA LYS A 39 -8.466 -3.406 6.885 1.00 22.31 H new ATOM 0 HB2 LYS A 39 -9.591 -5.551 7.103 1.00 72.04 H new ATOM 0 HB3 LYS A 39 -8.500 -6.065 8.375 1.00 72.04 H new ATOM 0 HG2 LYS A 39 -9.467 -4.050 9.731 1.00 71.00 H new ATOM 0 HG3 LYS A 39 -10.748 -4.045 8.535 1.00 71.00 H new ATOM 0 HD2 LYS A 39 -11.341 -5.408 10.534 1.00 31.21 H new ATOM 0 HD3 LYS A 39 -11.338 -6.363 9.065 1.00 31.21 H new ATOM 0 HE2 LYS A 39 -9.097 -7.247 9.592 1.00 23.33 H new ATOM 0 HE3 LYS A 39 -8.986 -6.212 11.001 1.00 23.33 H new ATOM 0 HZ1 LYS A 39 -9.908 -7.838 12.153 1.00 74.24 H new ATOM 0 HZ2 LYS A 39 -11.351 -7.624 11.284 1.00 74.24 H new ATOM 0 HZ3 LYS A 39 -10.200 -8.753 10.753 1.00 74.24 H new ATOM 671 N LYS A 40 -6.599 -4.247 9.512 1.00 22.23 N ATOM 672 CA LYS A 40 -5.970 -3.724 10.738 1.00 12.12 C ATOM 673 C LYS A 40 -5.137 -2.459 10.471 1.00 4.10 C ATOM 674 O LYS A 40 -5.162 -1.509 11.259 1.00 72.35 O ATOM 675 CB LYS A 40 -5.097 -4.808 11.398 1.00 72.13 C ATOM 676 CG LYS A 40 -4.231 -4.292 12.551 1.00 74.14 C ATOM 677 CD LYS A 40 -3.632 -5.428 13.386 1.00 71.51 C ATOM 678 CE LYS A 40 -2.825 -6.415 12.545 1.00 4.42 C ATOM 679 NZ LYS A 40 -1.652 -5.784 11.884 1.00 14.20 N ATOM 0 H LYS A 40 -6.404 -5.232 9.331 1.00 22.23 H new ATOM 0 HA LYS A 40 -6.774 -3.445 11.419 1.00 12.12 H new ATOM 0 HB2 LYS A 40 -5.743 -5.604 11.770 1.00 72.13 H new ATOM 0 HB3 LYS A 40 -4.450 -5.250 10.640 1.00 72.13 H new ATOM 0 HG2 LYS A 40 -3.426 -3.676 12.150 1.00 74.14 H new ATOM 0 HG3 LYS A 40 -4.833 -3.650 13.195 1.00 74.14 H new ATOM 0 HD2 LYS A 40 -2.990 -5.006 14.159 1.00 71.51 H new ATOM 0 HD3 LYS A 40 -4.435 -5.962 13.895 1.00 71.51 H new ATOM 0 HE2 LYS A 40 -2.482 -7.232 13.180 1.00 4.42 H new ATOM 0 HE3 LYS A 40 -3.473 -6.852 11.785 1.00 4.42 H new ATOM 0 HZ1 LYS A 40 -1.161 -6.491 11.300 1.00 14.20 H new ATOM 0 HZ2 LYS A 40 -1.973 -5.000 11.281 1.00 14.20 H new ATOM 0 HZ3 LYS A 40 -1.000 -5.419 12.608 1.00 14.20 H new ATOM 693 N TYR A 41 -4.400 -2.444 9.363 1.00 11.22 N ATOM 694 CA TYR A 41 -3.616 -1.264 8.990 1.00 20.24 C ATOM 695 C TYR A 41 -4.530 -0.084 8.624 1.00 41.01 C ATOM 696 O TYR A 41 -4.257 1.058 8.986 1.00 3.45 O ATOM 697 CB TYR A 41 -2.660 -1.587 7.834 1.00 14.41 C ATOM 698 CG TYR A 41 -1.506 -2.494 8.235 1.00 73.45 C ATOM 699 CD1 TYR A 41 -0.468 -2.014 9.027 1.00 12.11 C ATOM 700 CD2 TYR A 41 -1.451 -3.822 7.825 1.00 34.21 C ATOM 701 CE1 TYR A 41 0.587 -2.828 9.395 1.00 12.13 C ATOM 702 CE2 TYR A 41 -0.400 -4.642 8.191 1.00 15.25 C ATOM 703 CZ TYR A 41 0.616 -4.142 8.975 1.00 33.43 C ATOM 704 OH TYR A 41 1.668 -4.956 9.338 1.00 74.11 O ATOM 0 H TYR A 41 -4.328 -3.226 8.712 1.00 11.22 H new ATOM 0 HA TYR A 41 -3.021 -0.973 9.855 1.00 20.24 H new ATOM 0 HB2 TYR A 41 -3.222 -2.062 7.030 1.00 14.41 H new ATOM 0 HB3 TYR A 41 -2.258 -0.656 7.435 1.00 14.41 H new ATOM 0 HD1 TYR A 41 -0.487 -0.987 9.360 1.00 12.11 H new ATOM 0 HD2 TYR A 41 -2.244 -4.220 7.209 1.00 34.21 H new ATOM 0 HE1 TYR A 41 1.385 -2.437 10.009 1.00 12.13 H new ATOM 0 HE2 TYR A 41 -0.376 -5.671 7.863 1.00 15.25 H new ATOM 0 HH TYR A 41 2.030 -5.398 8.542 1.00 74.11 H new ATOM 714 N LEU A 42 -5.629 -0.367 7.925 1.00 22.24 N ATOM 715 CA LEU A 42 -6.609 0.669 7.585 1.00 3.40 C ATOM 716 C LEU A 42 -7.250 1.267 8.852 1.00 4.13 C ATOM 717 O LEU A 42 -7.486 2.472 8.928 1.00 23.04 O ATOM 718 CB LEU A 42 -7.698 0.109 6.662 1.00 0.12 C ATOM 719 CG LEU A 42 -7.227 -0.344 5.268 1.00 43.31 C ATOM 720 CD1 LEU A 42 -8.402 -0.874 4.451 1.00 34.53 C ATOM 721 CD2 LEU A 42 -6.526 0.798 4.534 1.00 72.32 C ATOM 0 H LEU A 42 -5.864 -1.299 7.584 1.00 22.24 H new ATOM 0 HA LEU A 42 -6.078 1.463 7.060 1.00 3.40 H new ATOM 0 HB2 LEU A 42 -8.168 -0.739 7.159 1.00 0.12 H new ATOM 0 HB3 LEU A 42 -8.467 0.871 6.535 1.00 0.12 H new ATOM 0 HG LEU A 42 -6.508 -1.153 5.397 1.00 43.31 H new ATOM 0 HD11 LEU A 42 -8.049 -1.189 3.469 1.00 34.53 H new ATOM 0 HD12 LEU A 42 -8.849 -1.724 4.966 1.00 34.53 H new ATOM 0 HD13 LEU A 42 -9.148 -0.088 4.334 1.00 34.53 H new ATOM 0 HD21 LEU A 42 -6.202 0.454 3.552 1.00 72.32 H new ATOM 0 HD22 LEU A 42 -7.216 1.633 4.417 1.00 72.32 H new ATOM 0 HD23 LEU A 42 -5.659 1.122 5.109 1.00 72.32 H new ATOM 733 N GLU A 43 -7.522 0.419 9.847 1.00 51.40 N ATOM 734 CA GLU A 43 -8.067 0.878 11.134 1.00 33.10 C ATOM 735 C GLU A 43 -7.125 1.900 11.800 1.00 21.55 C ATOM 736 O GLU A 43 -7.562 2.805 12.513 1.00 75.11 O ATOM 737 CB GLU A 43 -8.308 -0.322 12.068 1.00 41.24 C ATOM 738 CG GLU A 43 -9.309 -1.343 11.521 1.00 11.41 C ATOM 739 CD GLU A 43 -9.589 -2.489 12.487 1.00 71.02 C ATOM 740 OE1 GLU A 43 -10.465 -2.332 13.367 1.00 24.44 O ATOM 741 OE2 GLU A 43 -8.947 -3.553 12.368 1.00 54.31 O ATOM 0 H GLU A 43 -7.375 -0.589 9.790 1.00 51.40 H new ATOM 0 HA GLU A 43 -9.020 1.373 10.945 1.00 33.10 H new ATOM 0 HB2 GLU A 43 -7.358 -0.823 12.253 1.00 41.24 H new ATOM 0 HB3 GLU A 43 -8.667 0.045 13.030 1.00 41.24 H new ATOM 0 HG2 GLU A 43 -10.245 -0.835 11.289 1.00 11.41 H new ATOM 0 HG3 GLU A 43 -8.927 -1.751 10.585 1.00 11.41 H new ATOM 748 N GLU A 44 -5.827 1.743 11.555 1.00 15.45 N ATOM 749 CA GLU A 44 -4.817 2.700 12.019 1.00 24.43 C ATOM 750 C GLU A 44 -4.897 4.023 11.227 1.00 40.43 C ATOM 751 O GLU A 44 -4.652 5.104 11.765 1.00 43.24 O ATOM 752 CB GLU A 44 -3.422 2.074 11.861 1.00 61.54 C ATOM 753 CG GLU A 44 -2.265 2.950 12.340 1.00 52.25 C ATOM 754 CD GLU A 44 -2.254 3.157 13.847 1.00 3.13 C ATOM 755 OE1 GLU A 44 -2.267 2.153 14.588 1.00 30.22 O ATOM 756 OE2 GLU A 44 -2.195 4.320 14.298 1.00 2.05 O ATOM 0 H GLU A 44 -5.444 0.955 11.033 1.00 15.45 H new ATOM 0 HA GLU A 44 -5.005 2.928 13.068 1.00 24.43 H new ATOM 0 HB2 GLU A 44 -3.398 1.133 12.411 1.00 61.54 H new ATOM 0 HB3 GLU A 44 -3.265 1.833 10.810 1.00 61.54 H new ATOM 0 HG2 GLU A 44 -1.323 2.495 12.035 1.00 52.25 H new ATOM 0 HG3 GLU A 44 -2.324 3.920 11.847 1.00 52.25 H new ATOM 763 N PHE A 45 -5.262 3.924 9.949 1.00 60.13 N ATOM 764 CA PHE A 45 -5.270 5.078 9.039 1.00 70.12 C ATOM 765 C PHE A 45 -6.540 5.938 9.170 1.00 25.35 C ATOM 766 O PHE A 45 -6.488 7.156 8.984 1.00 42.31 O ATOM 767 CB PHE A 45 -5.112 4.599 7.589 1.00 52.32 C ATOM 768 CG PHE A 45 -3.825 3.849 7.333 1.00 31.32 C ATOM 769 CD1 PHE A 45 -2.647 4.219 7.969 1.00 14.42 C ATOM 770 CD2 PHE A 45 -3.796 2.771 6.461 1.00 40.10 C ATOM 771 CE1 PHE A 45 -1.472 3.529 7.739 1.00 20.21 C ATOM 772 CE2 PHE A 45 -2.624 2.080 6.229 1.00 14.44 C ATOM 773 CZ PHE A 45 -1.461 2.459 6.868 1.00 60.32 C ATOM 0 H PHE A 45 -5.559 3.050 9.514 1.00 60.13 H new ATOM 0 HA PHE A 45 -4.428 5.711 9.321 1.00 70.12 H new ATOM 0 HB2 PHE A 45 -5.954 3.955 7.335 1.00 52.32 H new ATOM 0 HB3 PHE A 45 -5.158 5.461 6.924 1.00 52.32 H new ATOM 0 HD1 PHE A 45 -2.649 5.056 8.651 1.00 14.42 H new ATOM 0 HD2 PHE A 45 -4.702 2.468 5.957 1.00 40.10 H new ATOM 0 HE1 PHE A 45 -0.563 3.827 8.241 1.00 20.21 H new ATOM 0 HE2 PHE A 45 -2.617 1.242 5.547 1.00 14.44 H new ATOM 0 HZ PHE A 45 -0.544 1.919 6.687 1.00 60.32 H new ATOM 783 N ARG A 46 -7.675 5.311 9.495 1.00 35.14 N ATOM 784 CA ARG A 46 -8.964 6.027 9.581 1.00 74.33 C ATOM 785 C ARG A 46 -8.911 7.229 10.535 1.00 41.43 C ATOM 786 O ARG A 46 -9.698 8.170 10.403 1.00 72.10 O ATOM 787 CB ARG A 46 -10.091 5.085 10.024 1.00 2.34 C ATOM 788 CG ARG A 46 -10.349 3.937 9.058 1.00 50.35 C ATOM 789 CD ARG A 46 -11.608 3.162 9.423 1.00 43.23 C ATOM 790 NE ARG A 46 -12.824 3.958 9.230 1.00 72.24 N ATOM 791 CZ ARG A 46 -14.008 3.611 9.661 1.00 71.12 C ATOM 792 NH1 ARG A 46 -14.167 2.528 10.355 1.00 61.31 N ATOM 793 NH2 ARG A 46 -15.037 4.353 9.403 1.00 25.15 N ATOM 0 H ARG A 46 -7.734 4.314 9.703 1.00 35.14 H new ATOM 0 HA ARG A 46 -9.167 6.399 8.577 1.00 74.33 H new ATOM 0 HB2 ARG A 46 -9.845 4.675 11.003 1.00 2.34 H new ATOM 0 HB3 ARG A 46 -11.009 5.662 10.141 1.00 2.34 H new ATOM 0 HG2 ARG A 46 -10.444 4.329 8.045 1.00 50.35 H new ATOM 0 HG3 ARG A 46 -9.493 3.262 9.059 1.00 50.35 H new ATOM 0 HD2 ARG A 46 -11.666 2.260 8.815 1.00 43.23 H new ATOM 0 HD3 ARG A 46 -11.547 2.842 10.463 1.00 43.23 H new ATOM 0 HE ARG A 46 -12.740 4.841 8.726 1.00 72.24 H new ATOM 0 HH11 ARG A 46 -13.364 1.937 10.570 1.00 61.31 H new ATOM 0 HH12 ARG A 46 -15.095 2.266 10.687 1.00 61.31 H new ATOM 0 HH21 ARG A 46 -14.925 5.211 8.862 1.00 25.15 H new ATOM 0 HH22 ARG A 46 -15.960 4.080 9.740 1.00 25.15 H new ATOM 807 N LYS A 47 -7.982 7.195 11.491 1.00 12.32 N ATOM 808 CA LYS A 47 -7.808 8.290 12.455 1.00 72.22 C ATOM 809 C LYS A 47 -7.731 9.659 11.759 1.00 24.54 C ATOM 810 O LYS A 47 -8.186 10.668 12.300 1.00 22.31 O ATOM 811 CB LYS A 47 -6.534 8.062 13.279 1.00 71.44 C ATOM 812 CG LYS A 47 -6.577 6.815 14.156 1.00 40.41 C ATOM 813 CD LYS A 47 -5.265 6.603 14.908 1.00 64.40 C ATOM 814 CE LYS A 47 -4.872 7.824 15.734 1.00 13.23 C ATOM 815 NZ LYS A 47 -5.901 8.169 16.751 1.00 31.44 N ATOM 0 H LYS A 47 -7.334 6.418 11.621 1.00 12.32 H new ATOM 0 HA LYS A 47 -8.680 8.294 13.109 1.00 72.22 H new ATOM 0 HB2 LYS A 47 -5.684 7.988 12.601 1.00 71.44 H new ATOM 0 HB3 LYS A 47 -6.362 8.933 13.912 1.00 71.44 H new ATOM 0 HG2 LYS A 47 -7.395 6.902 14.871 1.00 40.41 H new ATOM 0 HG3 LYS A 47 -6.786 5.943 13.537 1.00 40.41 H new ATOM 0 HD2 LYS A 47 -5.360 5.738 15.564 1.00 64.40 H new ATOM 0 HD3 LYS A 47 -4.472 6.378 14.195 1.00 64.40 H new ATOM 0 HE2 LYS A 47 -3.921 7.633 16.232 1.00 13.23 H new ATOM 0 HE3 LYS A 47 -4.719 8.675 15.071 1.00 13.23 H new ATOM 0 HZ1 LYS A 47 -5.562 8.962 17.333 1.00 31.44 H new ATOM 0 HZ2 LYS A 47 -6.783 8.443 16.273 1.00 31.44 H new ATOM 0 HZ3 LYS A 47 -6.078 7.344 17.359 1.00 31.44 H new ATOM 829 N GLU A 48 -7.160 9.679 10.556 1.00 13.13 N ATOM 830 CA GLU A 48 -6.976 10.920 9.797 1.00 52.54 C ATOM 831 C GLU A 48 -7.556 10.812 8.376 1.00 44.25 C ATOM 832 O GLU A 48 -7.020 11.407 7.434 1.00 42.33 O ATOM 833 CB GLU A 48 -5.482 11.265 9.724 1.00 12.42 C ATOM 834 CG GLU A 48 -4.838 11.559 11.076 1.00 51.14 C ATOM 835 CD GLU A 48 -5.450 12.762 11.775 1.00 72.22 C ATOM 836 OE1 GLU A 48 -5.416 13.873 11.203 1.00 41.20 O ATOM 837 OE2 GLU A 48 -5.960 12.610 12.904 1.00 44.21 O ATOM 0 H GLU A 48 -6.814 8.845 10.081 1.00 13.13 H new ATOM 0 HA GLU A 48 -7.515 11.712 10.316 1.00 52.54 H new ATOM 0 HB2 GLU A 48 -4.952 10.436 9.255 1.00 12.42 H new ATOM 0 HB3 GLU A 48 -5.353 12.133 9.077 1.00 12.42 H new ATOM 0 HG2 GLU A 48 -4.937 10.683 11.718 1.00 51.14 H new ATOM 0 HG3 GLU A 48 -3.771 11.732 10.934 1.00 51.14 H new ATOM 844 N SER A 49 -8.675 10.088 8.227 1.00 30.52 N ATOM 845 CA SER A 49 -9.343 9.923 6.913 1.00 45.44 C ATOM 846 C SER A 49 -9.592 11.269 6.210 1.00 73.34 C ATOM 847 O SER A 49 -9.879 11.312 5.012 1.00 61.00 O ATOM 848 CB SER A 49 -10.678 9.172 7.063 1.00 73.33 C ATOM 849 OG SER A 49 -10.476 7.818 7.435 1.00 65.45 O ATOM 0 H SER A 49 -9.141 9.605 8.995 1.00 30.52 H new ATOM 0 HA SER A 49 -8.663 9.338 6.294 1.00 45.44 H new ATOM 0 HB2 SER A 49 -11.293 9.668 7.814 1.00 73.33 H new ATOM 0 HB3 SER A 49 -11.227 9.214 6.122 1.00 73.33 H new ATOM 0 HG SER A 49 -11.343 7.370 7.523 1.00 65.45 H new ATOM 855 N GLN A 50 -9.493 12.361 6.969 1.00 72.52 N ATOM 856 CA GLN A 50 -9.610 13.717 6.423 1.00 63.32 C ATOM 857 C GLN A 50 -8.606 13.970 5.280 1.00 3.15 C ATOM 858 O GLN A 50 -8.996 14.333 4.169 1.00 42.10 O ATOM 859 CB GLN A 50 -9.387 14.756 7.537 1.00 21.11 C ATOM 860 CG GLN A 50 -10.255 14.541 8.773 1.00 52.24 C ATOM 861 CD GLN A 50 -10.059 15.612 9.832 1.00 34.13 C ATOM 862 OE1 GLN A 50 -9.191 15.504 10.695 1.00 43.42 O ATOM 863 NE2 GLN A 50 -10.868 16.648 9.783 1.00 3.11 N ATOM 0 H GLN A 50 -9.330 12.333 7.976 1.00 72.52 H new ATOM 0 HA GLN A 50 -10.616 13.816 6.015 1.00 63.32 H new ATOM 0 HB2 GLN A 50 -8.339 14.734 7.834 1.00 21.11 H new ATOM 0 HB3 GLN A 50 -9.584 15.750 7.136 1.00 21.11 H new ATOM 0 HG2 GLN A 50 -11.303 14.521 8.475 1.00 52.24 H new ATOM 0 HG3 GLN A 50 -10.028 13.566 9.204 1.00 52.24 H new ATOM 0 HE21 GLN A 50 -11.578 16.707 9.053 1.00 3.11 H new ATOM 0 HE22 GLN A 50 -10.785 17.393 10.475 1.00 3.11 H new ATOM 872 N ASN A 51 -7.311 13.766 5.553 1.00 3.30 N ATOM 873 CA ASN A 51 -6.250 14.123 4.592 1.00 54.21 C ATOM 874 C ASN A 51 -5.249 12.972 4.368 1.00 21.43 C ATOM 875 O ASN A 51 -4.093 13.211 4.006 1.00 71.11 O ATOM 876 CB ASN A 51 -5.480 15.357 5.091 1.00 61.45 C ATOM 877 CG ASN A 51 -6.387 16.444 5.633 1.00 2.21 C ATOM 878 OD1 ASN A 51 -6.899 17.276 4.897 1.00 62.23 O ATOM 879 ND2 ASN A 51 -6.580 16.455 6.933 1.00 52.42 N ATOM 0 H ASN A 51 -6.970 13.359 6.424 1.00 3.30 H new ATOM 0 HA ASN A 51 -6.742 14.336 3.643 1.00 54.21 H new ATOM 0 HB2 ASN A 51 -4.782 15.052 5.871 1.00 61.45 H new ATOM 0 HB3 ASN A 51 -4.886 15.763 4.272 1.00 61.45 H new ATOM 0 HD21 ASN A 51 -7.171 17.171 7.355 1.00 52.42 H new ATOM 0 HD22 ASN A 51 -6.139 15.747 7.520 1.00 52.42 H new ATOM 886 N ILE A 52 -5.680 11.730 4.570 1.00 13.21 N ATOM 887 CA ILE A 52 -4.783 10.581 4.399 1.00 41.54 C ATOM 888 C ILE A 52 -5.053 9.827 3.084 1.00 24.41 C ATOM 889 O ILE A 52 -6.202 9.614 2.692 1.00 24.03 O ATOM 890 CB ILE A 52 -4.879 9.597 5.594 1.00 52.43 C ATOM 891 CG1 ILE A 52 -3.749 8.559 5.526 1.00 2.52 C ATOM 892 CG2 ILE A 52 -6.241 8.907 5.625 1.00 41.33 C ATOM 893 CD1 ILE A 52 -3.652 7.686 6.757 1.00 0.13 C ATOM 0 H ILE A 52 -6.631 11.490 4.849 1.00 13.21 H new ATOM 0 HA ILE A 52 -3.772 10.988 4.360 1.00 41.54 H new ATOM 0 HB ILE A 52 -4.770 10.169 6.515 1.00 52.43 H new ATOM 0 HG12 ILE A 52 -3.902 7.925 4.653 1.00 2.52 H new ATOM 0 HG13 ILE A 52 -2.800 9.076 5.382 1.00 2.52 H new ATOM 0 HG21 ILE A 52 -6.283 8.222 6.472 1.00 41.33 H new ATOM 0 HG22 ILE A 52 -7.026 9.656 5.725 1.00 41.33 H new ATOM 0 HG23 ILE A 52 -6.387 8.349 4.700 1.00 41.33 H new ATOM 0 HD11 ILE A 52 -2.832 6.978 6.637 1.00 0.13 H new ATOM 0 HD12 ILE A 52 -3.468 8.310 7.632 1.00 0.13 H new ATOM 0 HD13 ILE A 52 -4.586 7.141 6.891 1.00 0.13 H new ATOM 905 N LYS A 53 -3.976 9.450 2.400 1.00 4.32 N ATOM 906 CA LYS A 53 -4.061 8.661 1.168 1.00 12.00 C ATOM 907 C LYS A 53 -3.113 7.456 1.260 1.00 4.54 C ATOM 908 O LYS A 53 -1.942 7.606 1.623 1.00 71.01 O ATOM 909 CB LYS A 53 -3.698 9.528 -0.051 1.00 61.45 C ATOM 910 CG LYS A 53 -4.386 10.892 -0.065 1.00 65.35 C ATOM 911 CD LYS A 53 -4.048 11.698 -1.314 1.00 52.03 C ATOM 912 CE LYS A 53 -4.600 11.062 -2.585 1.00 74.23 C ATOM 913 NZ LYS A 53 -4.293 11.882 -3.787 1.00 61.13 N ATOM 0 H LYS A 53 -3.023 9.680 2.680 1.00 4.32 H new ATOM 0 HA LYS A 53 -5.084 8.305 1.046 1.00 12.00 H new ATOM 0 HB2 LYS A 53 -2.618 9.676 -0.071 1.00 61.45 H new ATOM 0 HB3 LYS A 53 -3.963 8.989 -0.960 1.00 61.45 H new ATOM 0 HG2 LYS A 53 -5.465 10.753 -0.006 1.00 65.35 H new ATOM 0 HG3 LYS A 53 -4.089 11.455 0.820 1.00 65.35 H new ATOM 0 HD2 LYS A 53 -4.450 12.706 -1.212 1.00 52.03 H new ATOM 0 HD3 LYS A 53 -2.966 11.793 -1.399 1.00 52.03 H new ATOM 0 HE2 LYS A 53 -4.177 10.065 -2.707 1.00 74.23 H new ATOM 0 HE3 LYS A 53 -5.679 10.941 -2.493 1.00 74.23 H new ATOM 0 HZ1 LYS A 53 -4.684 11.419 -4.632 1.00 61.13 H new ATOM 0 HZ2 LYS A 53 -4.718 12.825 -3.682 1.00 61.13 H new ATOM 0 HZ3 LYS A 53 -3.262 11.976 -3.889 1.00 61.13 H new ATOM 927 N VAL A 54 -3.612 6.264 0.944 1.00 72.12 N ATOM 928 CA VAL A 54 -2.813 5.037 1.082 1.00 72.10 C ATOM 929 C VAL A 54 -2.588 4.327 -0.264 1.00 20.34 C ATOM 930 O VAL A 54 -3.535 3.999 -0.973 1.00 42.03 O ATOM 931 CB VAL A 54 -3.481 4.048 2.071 1.00 70.22 C ATOM 932 CG1 VAL A 54 -2.616 2.804 2.267 1.00 0.24 C ATOM 933 CG2 VAL A 54 -3.765 4.735 3.406 1.00 24.20 C ATOM 0 H VAL A 54 -4.558 6.116 0.593 1.00 72.12 H new ATOM 0 HA VAL A 54 -1.843 5.348 1.470 1.00 72.10 H new ATOM 0 HB VAL A 54 -4.432 3.728 1.645 1.00 70.22 H new ATOM 0 HG11 VAL A 54 -3.107 2.126 2.965 1.00 0.24 H new ATOM 0 HG12 VAL A 54 -2.479 2.302 1.309 1.00 0.24 H new ATOM 0 HG13 VAL A 54 -1.645 3.096 2.666 1.00 0.24 H new ATOM 0 HG21 VAL A 54 -4.234 4.026 4.088 1.00 24.20 H new ATOM 0 HG22 VAL A 54 -2.830 5.090 3.839 1.00 24.20 H new ATOM 0 HG23 VAL A 54 -4.434 5.580 3.245 1.00 24.20 H new ATOM 943 N LEU A 55 -1.325 4.095 -0.604 1.00 12.03 N ATOM 944 CA LEU A 55 -0.953 3.349 -1.810 1.00 21.50 C ATOM 945 C LEU A 55 -0.825 1.850 -1.496 1.00 51.20 C ATOM 946 O LEU A 55 0.008 1.454 -0.683 1.00 20.41 O ATOM 947 CB LEU A 55 0.383 3.876 -2.351 1.00 45.34 C ATOM 948 CG LEU A 55 0.892 3.202 -3.638 1.00 3.42 C ATOM 949 CD1 LEU A 55 0.047 3.607 -4.845 1.00 65.35 C ATOM 950 CD2 LEU A 55 2.363 3.530 -3.866 1.00 41.43 C ATOM 0 H LEU A 55 -0.528 4.417 -0.055 1.00 12.03 H new ATOM 0 HA LEU A 55 -1.732 3.486 -2.560 1.00 21.50 H new ATOM 0 HB2 LEU A 55 0.283 4.945 -2.538 1.00 45.34 H new ATOM 0 HB3 LEU A 55 1.140 3.757 -1.576 1.00 45.34 H new ATOM 0 HG LEU A 55 0.796 2.123 -3.516 1.00 3.42 H new ATOM 0 HD11 LEU A 55 0.430 3.115 -5.739 1.00 65.35 H new ATOM 0 HD12 LEU A 55 -0.988 3.307 -4.682 1.00 65.35 H new ATOM 0 HD13 LEU A 55 0.095 4.688 -4.977 1.00 65.35 H new ATOM 0 HD21 LEU A 55 2.706 3.045 -4.780 1.00 41.43 H new ATOM 0 HD22 LEU A 55 2.485 4.609 -3.960 1.00 41.43 H new ATOM 0 HD23 LEU A 55 2.951 3.170 -3.022 1.00 41.43 H new ATOM 962 N ILE A 56 -1.647 1.023 -2.133 1.00 11.14 N ATOM 963 CA ILE A 56 -1.647 -0.424 -1.869 1.00 21.11 C ATOM 964 C ILE A 56 -1.123 -1.223 -3.076 1.00 45.33 C ATOM 965 O ILE A 56 -1.725 -1.208 -4.151 1.00 12.20 O ATOM 966 CB ILE A 56 -3.068 -0.928 -1.502 1.00 21.30 C ATOM 967 CG1 ILE A 56 -3.645 -0.112 -0.329 1.00 74.44 C ATOM 968 CG2 ILE A 56 -3.042 -2.421 -1.163 1.00 55.44 C ATOM 969 CD1 ILE A 56 -5.048 -0.519 0.072 1.00 4.31 C ATOM 0 H ILE A 56 -2.323 1.322 -2.836 1.00 11.14 H new ATOM 0 HA ILE A 56 -0.978 -0.587 -1.024 1.00 21.11 H new ATOM 0 HB ILE A 56 -3.716 -0.788 -2.367 1.00 21.30 H new ATOM 0 HG12 ILE A 56 -2.986 -0.218 0.533 1.00 74.44 H new ATOM 0 HG13 ILE A 56 -3.647 0.944 -0.600 1.00 74.44 H new ATOM 0 HG21 ILE A 56 -4.048 -2.754 -0.909 1.00 55.44 H new ATOM 0 HG22 ILE A 56 -2.681 -2.983 -2.024 1.00 55.44 H new ATOM 0 HG23 ILE A 56 -2.379 -2.590 -0.315 1.00 55.44 H new ATOM 0 HD11 ILE A 56 -5.383 0.101 0.903 1.00 4.31 H new ATOM 0 HD12 ILE A 56 -5.721 -0.386 -0.775 1.00 4.31 H new ATOM 0 HD13 ILE A 56 -5.050 -1.566 0.376 1.00 4.31 H new ATOM 981 N LEU A 57 -0.005 -1.924 -2.890 1.00 45.54 N ATOM 982 CA LEU A 57 0.584 -2.757 -3.948 1.00 62.11 C ATOM 983 C LEU A 57 0.279 -4.242 -3.705 1.00 32.44 C ATOM 984 O LEU A 57 0.720 -4.822 -2.710 1.00 43.33 O ATOM 985 CB LEU A 57 2.110 -2.546 -4.043 1.00 21.53 C ATOM 986 CG LEU A 57 2.570 -1.204 -4.651 1.00 64.33 C ATOM 987 CD1 LEU A 57 1.934 -0.977 -6.021 1.00 50.22 C ATOM 988 CD2 LEU A 57 2.267 -0.040 -3.714 1.00 25.45 C ATOM 0 H LEU A 57 0.516 -1.934 -2.013 1.00 45.54 H new ATOM 0 HA LEU A 57 0.134 -2.452 -4.893 1.00 62.11 H new ATOM 0 HB2 LEU A 57 2.532 -2.632 -3.042 1.00 21.53 H new ATOM 0 HB3 LEU A 57 2.533 -3.356 -4.638 1.00 21.53 H new ATOM 0 HG LEU A 57 3.651 -1.254 -4.783 1.00 64.33 H new ATOM 0 HD11 LEU A 57 2.275 -0.025 -6.427 1.00 50.22 H new ATOM 0 HD12 LEU A 57 2.224 -1.783 -6.695 1.00 50.22 H new ATOM 0 HD13 LEU A 57 0.849 -0.961 -5.920 1.00 50.22 H new ATOM 0 HD21 LEU A 57 2.603 0.891 -4.170 1.00 25.45 H new ATOM 0 HD22 LEU A 57 1.193 0.011 -3.533 1.00 25.45 H new ATOM 0 HD23 LEU A 57 2.788 -0.189 -2.768 1.00 25.45 H new ATOM 1000 N VAL A 58 -0.471 -4.850 -4.618 1.00 52.25 N ATOM 1001 CA VAL A 58 -0.884 -6.252 -4.477 1.00 74.41 C ATOM 1002 C VAL A 58 -0.266 -7.143 -5.567 1.00 43.12 C ATOM 1003 O VAL A 58 0.063 -6.674 -6.656 1.00 50.11 O ATOM 1004 CB VAL A 58 -2.428 -6.386 -4.524 1.00 73.13 C ATOM 1005 CG1 VAL A 58 -3.085 -5.522 -3.447 1.00 1.41 C ATOM 1006 CG2 VAL A 58 -2.966 -6.027 -5.905 1.00 73.41 C ATOM 0 H VAL A 58 -0.809 -4.397 -5.467 1.00 52.25 H new ATOM 0 HA VAL A 58 -0.521 -6.588 -3.506 1.00 74.41 H new ATOM 0 HB VAL A 58 -2.679 -7.428 -4.323 1.00 73.13 H new ATOM 0 HG11 VAL A 58 -4.168 -5.634 -3.501 1.00 1.41 H new ATOM 0 HG12 VAL A 58 -2.736 -5.838 -2.464 1.00 1.41 H new ATOM 0 HG13 VAL A 58 -2.820 -4.477 -3.607 1.00 1.41 H new ATOM 0 HG21 VAL A 58 -4.051 -6.129 -5.911 1.00 73.41 H new ATOM 0 HG22 VAL A 58 -2.697 -4.998 -6.144 1.00 73.41 H new ATOM 0 HG23 VAL A 58 -2.535 -6.697 -6.649 1.00 73.41 H new ATOM 1016 N SER A 59 -0.117 -8.432 -5.265 1.00 2.50 N ATOM 1017 CA SER A 59 0.477 -9.395 -6.205 1.00 10.40 C ATOM 1018 C SER A 59 -0.551 -9.914 -7.225 1.00 50.24 C ATOM 1019 O SER A 59 -0.281 -9.967 -8.428 1.00 52.30 O ATOM 1020 CB SER A 59 1.070 -10.578 -5.431 1.00 60.30 C ATOM 1021 OG SER A 59 0.068 -11.228 -4.663 1.00 23.42 O ATOM 0 H SER A 59 -0.399 -8.840 -4.374 1.00 2.50 H new ATOM 0 HA SER A 59 1.261 -8.875 -6.755 1.00 10.40 H new ATOM 0 HB2 SER A 59 1.518 -11.287 -6.127 1.00 60.30 H new ATOM 0 HB3 SER A 59 1.867 -10.227 -4.776 1.00 60.30 H new ATOM 0 HG SER A 59 0.465 -11.981 -4.177 1.00 23.42 H new ATOM 1027 N ASN A 60 -1.727 -10.316 -6.740 1.00 31.21 N ATOM 1028 CA ASN A 60 -2.785 -10.851 -7.613 1.00 54.41 C ATOM 1029 C ASN A 60 -4.043 -9.964 -7.595 1.00 1.53 C ATOM 1030 O ASN A 60 -4.190 -9.082 -6.751 1.00 13.30 O ATOM 1031 CB ASN A 60 -3.153 -12.280 -7.193 1.00 75.13 C ATOM 1032 CG ASN A 60 -1.936 -13.173 -7.044 1.00 20.34 C ATOM 1033 OD1 ASN A 60 -1.480 -13.792 -8.003 1.00 74.42 O ATOM 1034 ND2 ASN A 60 -1.399 -13.249 -5.843 1.00 32.25 N ATOM 0 H ASN A 60 -1.975 -10.283 -5.751 1.00 31.21 H new ATOM 0 HA ASN A 60 -2.393 -10.860 -8.630 1.00 54.41 H new ATOM 0 HB2 ASN A 60 -3.695 -12.249 -6.248 1.00 75.13 H new ATOM 0 HB3 ASN A 60 -3.827 -12.711 -7.933 1.00 75.13 H new ATOM 0 HD21 ASN A 60 -0.579 -13.835 -5.687 1.00 32.25 H new ATOM 0 HD22 ASN A 60 -1.803 -12.722 -5.069 1.00 32.25 H new ATOM 1041 N ASP A 61 -4.951 -10.209 -8.540 1.00 12.24 N ATOM 1042 CA ASP A 61 -6.203 -9.447 -8.640 1.00 1.32 C ATOM 1043 C ASP A 61 -7.166 -9.745 -7.475 1.00 52.11 C ATOM 1044 O ASP A 61 -8.017 -8.919 -7.142 1.00 53.00 O ATOM 1045 CB ASP A 61 -6.873 -9.712 -9.994 1.00 1.33 C ATOM 1046 CG ASP A 61 -6.951 -11.191 -10.325 1.00 21.55 C ATOM 1047 OD1 ASP A 61 -5.903 -11.782 -10.644 1.00 53.02 O ATOM 1048 OD2 ASP A 61 -8.054 -11.766 -10.274 1.00 70.34 O ATOM 0 H ASP A 61 -4.845 -10.932 -9.252 1.00 12.24 H new ATOM 0 HA ASP A 61 -5.952 -8.389 -8.570 1.00 1.32 H new ATOM 0 HB2 ASP A 61 -7.879 -9.291 -9.987 1.00 1.33 H new ATOM 0 HB3 ASP A 61 -6.318 -9.197 -10.778 1.00 1.33 H new ATOM 1053 N GLU A 62 -7.030 -10.916 -6.855 1.00 34.15 N ATOM 1054 CA GLU A 62 -7.850 -11.279 -5.687 1.00 13.13 C ATOM 1055 C GLU A 62 -7.639 -10.282 -4.527 1.00 4.10 C ATOM 1056 O GLU A 62 -8.595 -9.711 -3.993 1.00 41.34 O ATOM 1057 CB GLU A 62 -7.501 -12.706 -5.230 1.00 22.23 C ATOM 1058 CG GLU A 62 -8.294 -13.202 -4.020 1.00 21.13 C ATOM 1059 CD GLU A 62 -9.779 -13.377 -4.306 1.00 11.31 C ATOM 1060 OE1 GLU A 62 -10.139 -14.328 -5.031 1.00 32.00 O ATOM 1061 OE2 GLU A 62 -10.592 -12.576 -3.794 1.00 60.01 O ATOM 0 H GLU A 62 -6.362 -11.633 -7.137 1.00 34.15 H new ATOM 0 HA GLU A 62 -8.900 -11.239 -5.978 1.00 13.13 H new ATOM 0 HB2 GLU A 62 -7.668 -13.390 -6.062 1.00 22.23 H new ATOM 0 HB3 GLU A 62 -6.438 -12.747 -4.992 1.00 22.23 H new ATOM 0 HG2 GLU A 62 -7.880 -14.154 -3.688 1.00 21.13 H new ATOM 0 HG3 GLU A 62 -8.170 -12.497 -3.198 1.00 21.13 H new ATOM 1068 N GLU A 63 -6.377 -10.064 -4.158 1.00 74.25 N ATOM 1069 CA GLU A 63 -6.028 -9.074 -3.128 1.00 74.05 C ATOM 1070 C GLU A 63 -6.324 -7.643 -3.607 1.00 13.53 C ATOM 1071 O GLU A 63 -6.674 -6.775 -2.809 1.00 30.22 O ATOM 1072 CB GLU A 63 -4.550 -9.203 -2.682 1.00 64.43 C ATOM 1073 CG GLU A 63 -3.581 -9.722 -3.747 1.00 35.11 C ATOM 1074 CD GLU A 63 -3.460 -11.244 -3.762 1.00 61.00 C ATOM 1075 OE1 GLU A 63 -4.377 -11.917 -4.270 1.00 21.22 O ATOM 1076 OE2 GLU A 63 -2.445 -11.769 -3.270 1.00 24.41 O ATOM 0 H GLU A 63 -5.577 -10.557 -4.554 1.00 74.25 H new ATOM 0 HA GLU A 63 -6.655 -9.282 -2.261 1.00 74.05 H new ATOM 0 HB2 GLU A 63 -4.204 -8.225 -2.347 1.00 64.43 H new ATOM 0 HB3 GLU A 63 -4.506 -9.869 -1.821 1.00 64.43 H new ATOM 0 HG2 GLU A 63 -3.913 -9.381 -4.728 1.00 35.11 H new ATOM 0 HG3 GLU A 63 -2.596 -9.288 -3.575 1.00 35.11 H new ATOM 1083 N LEU A 64 -6.182 -7.406 -4.913 1.00 70.33 N ATOM 1084 CA LEU A 64 -6.591 -6.132 -5.528 1.00 21.33 C ATOM 1085 C LEU A 64 -8.064 -5.827 -5.213 1.00 52.04 C ATOM 1086 O LEU A 64 -8.418 -4.725 -4.773 1.00 51.23 O ATOM 1087 CB LEU A 64 -6.392 -6.213 -7.050 1.00 22.21 C ATOM 1088 CG LEU A 64 -6.833 -4.980 -7.858 1.00 30.40 C ATOM 1089 CD1 LEU A 64 -5.909 -3.796 -7.599 1.00 2.50 C ATOM 1090 CD2 LEU A 64 -6.893 -5.306 -9.349 1.00 72.00 C ATOM 0 H LEU A 64 -5.786 -8.079 -5.570 1.00 70.33 H new ATOM 0 HA LEU A 64 -5.977 -5.330 -5.118 1.00 21.33 H new ATOM 0 HB2 LEU A 64 -5.335 -6.393 -7.249 1.00 22.21 H new ATOM 0 HB3 LEU A 64 -6.938 -7.080 -7.422 1.00 22.21 H new ATOM 0 HG LEU A 64 -7.834 -4.701 -7.528 1.00 30.40 H new ATOM 0 HD11 LEU A 64 -6.244 -2.939 -8.183 1.00 2.50 H new ATOM 0 HD12 LEU A 64 -5.929 -3.544 -6.539 1.00 2.50 H new ATOM 0 HD13 LEU A 64 -4.892 -4.058 -7.890 1.00 2.50 H new ATOM 0 HD21 LEU A 64 -7.207 -4.421 -9.903 1.00 72.00 H new ATOM 0 HD22 LEU A 64 -5.907 -5.619 -9.693 1.00 72.00 H new ATOM 0 HD23 LEU A 64 -7.608 -6.111 -9.517 1.00 72.00 H new ATOM 1102 N ASP A 65 -8.912 -6.828 -5.430 1.00 11.52 N ATOM 1103 CA ASP A 65 -10.344 -6.715 -5.169 1.00 0.11 C ATOM 1104 C ASP A 65 -10.616 -6.389 -3.694 1.00 3.04 C ATOM 1105 O ASP A 65 -11.250 -5.379 -3.379 1.00 14.00 O ATOM 1106 CB ASP A 65 -11.047 -8.020 -5.564 1.00 12.23 C ATOM 1107 CG ASP A 65 -12.557 -7.922 -5.463 1.00 1.03 C ATOM 1108 OD1 ASP A 65 -13.164 -7.219 -6.298 1.00 55.13 O ATOM 1109 OD2 ASP A 65 -13.147 -8.537 -4.551 1.00 2.22 O ATOM 0 H ASP A 65 -8.627 -7.738 -5.791 1.00 11.52 H new ATOM 0 HA ASP A 65 -10.739 -5.896 -5.770 1.00 0.11 H new ATOM 0 HB2 ASP A 65 -10.771 -8.282 -6.585 1.00 12.23 H new ATOM 0 HB3 ASP A 65 -10.695 -8.827 -4.921 1.00 12.23 H new ATOM 1114 N LYS A 66 -10.118 -7.236 -2.795 1.00 74.12 N ATOM 1115 CA LYS A 66 -10.341 -7.061 -1.354 1.00 20.30 C ATOM 1116 C LYS A 66 -9.731 -5.756 -0.816 1.00 50.44 C ATOM 1117 O LYS A 66 -10.287 -5.138 0.088 1.00 22.03 O ATOM 1118 CB LYS A 66 -9.780 -8.260 -0.577 1.00 40.30 C ATOM 1119 CG LYS A 66 -10.526 -9.567 -0.837 1.00 50.15 C ATOM 1120 CD LYS A 66 -12.015 -9.453 -0.504 1.00 4.01 C ATOM 1121 CE LYS A 66 -12.255 -9.096 0.961 1.00 40.51 C ATOM 1122 NZ LYS A 66 -13.700 -8.932 1.262 1.00 2.21 N ATOM 0 H LYS A 66 -9.556 -8.053 -3.036 1.00 74.12 H new ATOM 0 HA LYS A 66 -11.419 -7.000 -1.206 1.00 20.30 H new ATOM 0 HB2 LYS A 66 -8.731 -8.393 -0.840 1.00 40.30 H new ATOM 0 HB3 LYS A 66 -9.815 -8.038 0.490 1.00 40.30 H new ATOM 0 HG2 LYS A 66 -10.409 -9.849 -1.883 1.00 50.15 H new ATOM 0 HG3 LYS A 66 -10.081 -10.363 -0.240 1.00 50.15 H new ATOM 0 HD2 LYS A 66 -12.470 -8.694 -1.140 1.00 4.01 H new ATOM 0 HD3 LYS A 66 -12.509 -10.398 -0.731 1.00 4.01 H new ATOM 0 HE2 LYS A 66 -11.838 -9.876 1.598 1.00 40.51 H new ATOM 0 HE3 LYS A 66 -11.727 -8.173 1.201 1.00 40.51 H new ATOM 0 HZ1 LYS A 66 -13.852 -9.011 2.288 1.00 2.21 H new ATOM 0 HZ2 LYS A 66 -14.019 -7.997 0.936 1.00 2.21 H new ATOM 0 HZ3 LYS A 66 -14.243 -9.672 0.773 1.00 2.21 H new ATOM 1136 N ALA A 67 -8.595 -5.339 -1.372 1.00 22.12 N ATOM 1137 CA ALA A 67 -7.932 -4.101 -0.936 1.00 33.34 C ATOM 1138 C ALA A 67 -8.848 -2.878 -1.105 1.00 24.12 C ATOM 1139 O ALA A 67 -9.084 -2.127 -0.156 1.00 12.35 O ATOM 1140 CB ALA A 67 -6.632 -3.898 -1.701 1.00 52.44 C ATOM 0 H ALA A 67 -8.113 -5.834 -2.122 1.00 22.12 H new ATOM 0 HA ALA A 67 -7.707 -4.203 0.126 1.00 33.34 H new ATOM 0 HB1 ALA A 67 -6.153 -2.978 -1.367 1.00 52.44 H new ATOM 0 HB2 ALA A 67 -5.966 -4.741 -1.517 1.00 52.44 H new ATOM 0 HB3 ALA A 67 -6.845 -3.830 -2.768 1.00 52.44 H new ATOM 1146 N LYS A 68 -9.369 -2.684 -2.318 1.00 51.40 N ATOM 1147 CA LYS A 68 -10.286 -1.567 -2.584 1.00 24.35 C ATOM 1148 C LYS A 68 -11.632 -1.780 -1.863 1.00 63.21 C ATOM 1149 O LYS A 68 -12.282 -0.828 -1.432 1.00 21.35 O ATOM 1150 CB LYS A 68 -10.507 -1.399 -4.099 1.00 71.04 C ATOM 1151 CG LYS A 68 -11.409 -2.463 -4.725 1.00 53.43 C ATOM 1152 CD LYS A 68 -11.539 -2.282 -6.238 1.00 71.50 C ATOM 1153 CE LYS A 68 -12.647 -3.156 -6.821 1.00 41.13 C ATOM 1154 NZ LYS A 68 -12.438 -4.600 -6.537 1.00 3.21 N ATOM 0 H LYS A 68 -9.176 -3.277 -3.125 1.00 51.40 H new ATOM 0 HA LYS A 68 -9.832 -0.655 -2.197 1.00 24.35 H new ATOM 0 HB2 LYS A 68 -10.941 -0.417 -4.284 1.00 71.04 H new ATOM 0 HB3 LYS A 68 -9.539 -1.419 -4.600 1.00 71.04 H new ATOM 0 HG2 LYS A 68 -11.005 -3.453 -4.511 1.00 53.43 H new ATOM 0 HG3 LYS A 68 -12.397 -2.416 -4.268 1.00 53.43 H new ATOM 0 HD2 LYS A 68 -11.746 -1.236 -6.462 1.00 71.50 H new ATOM 0 HD3 LYS A 68 -10.591 -2.529 -6.716 1.00 71.50 H new ATOM 0 HE2 LYS A 68 -13.607 -2.843 -6.410 1.00 41.13 H new ATOM 0 HE3 LYS A 68 -12.697 -3.004 -7.899 1.00 41.13 H new ATOM 0 HZ1 LYS A 68 -13.264 -5.141 -6.863 1.00 3.21 H new ATOM 0 HZ2 LYS A 68 -11.588 -4.932 -7.035 1.00 3.21 H new ATOM 0 HZ3 LYS A 68 -12.316 -4.738 -5.514 1.00 3.21 H new ATOM 1168 N GLU A 69 -12.028 -3.047 -1.733 1.00 65.22 N ATOM 1169 CA GLU A 69 -13.274 -3.434 -1.070 1.00 52.53 C ATOM 1170 C GLU A 69 -13.285 -2.989 0.407 1.00 42.24 C ATOM 1171 O GLU A 69 -14.214 -2.308 0.859 1.00 44.14 O ATOM 1172 CB GLU A 69 -13.419 -4.960 -1.194 1.00 54.12 C ATOM 1173 CG GLU A 69 -14.847 -5.489 -1.171 1.00 4.12 C ATOM 1174 CD GLU A 69 -15.401 -5.692 0.230 1.00 4.23 C ATOM 1175 OE1 GLU A 69 -14.872 -6.556 0.961 1.00 53.02 O ATOM 1176 OE2 GLU A 69 -16.375 -5.003 0.598 1.00 54.15 O ATOM 0 H GLU A 69 -11.490 -3.838 -2.087 1.00 65.22 H new ATOM 0 HA GLU A 69 -14.119 -2.939 -1.548 1.00 52.53 H new ATOM 0 HB2 GLU A 69 -12.948 -5.277 -2.124 1.00 54.12 H new ATOM 0 HB3 GLU A 69 -12.864 -5.427 -0.380 1.00 54.12 H new ATOM 0 HG2 GLU A 69 -15.491 -4.794 -1.710 1.00 4.12 H new ATOM 0 HG3 GLU A 69 -14.882 -6.437 -1.707 1.00 4.12 H new ATOM 1183 N LEU A 70 -12.237 -3.358 1.147 1.00 55.33 N ATOM 1184 CA LEU A 70 -12.093 -2.966 2.556 1.00 54.45 C ATOM 1185 C LEU A 70 -11.990 -1.441 2.709 1.00 0.43 C ATOM 1186 O LEU A 70 -12.593 -0.851 3.610 1.00 71.22 O ATOM 1187 CB LEU A 70 -10.852 -3.633 3.170 1.00 63.33 C ATOM 1188 CG LEU A 70 -10.887 -5.169 3.230 1.00 60.11 C ATOM 1189 CD1 LEU A 70 -9.585 -5.717 3.810 1.00 55.11 C ATOM 1190 CD2 LEU A 70 -12.086 -5.648 4.044 1.00 12.11 C ATOM 0 H LEU A 70 -11.470 -3.931 0.794 1.00 55.33 H new ATOM 0 HA LEU A 70 -12.985 -3.302 3.084 1.00 54.45 H new ATOM 0 HB2 LEU A 70 -9.976 -3.329 2.596 1.00 63.33 H new ATOM 0 HB3 LEU A 70 -10.719 -3.250 4.182 1.00 63.33 H new ATOM 0 HG LEU A 70 -10.991 -5.548 2.214 1.00 60.11 H new ATOM 0 HD11 LEU A 70 -9.631 -6.806 3.843 1.00 55.11 H new ATOM 0 HD12 LEU A 70 -8.749 -5.408 3.182 1.00 55.11 H new ATOM 0 HD13 LEU A 70 -9.444 -5.329 4.819 1.00 55.11 H new ATOM 0 HD21 LEU A 70 -12.093 -6.738 4.075 1.00 12.11 H new ATOM 0 HD22 LEU A 70 -12.016 -5.257 5.059 1.00 12.11 H new ATOM 0 HD23 LEU A 70 -13.006 -5.292 3.580 1.00 12.11 H new ATOM 1202 N ALA A 71 -11.220 -0.808 1.822 1.00 73.12 N ATOM 1203 CA ALA A 71 -11.059 0.650 1.834 1.00 14.43 C ATOM 1204 C ALA A 71 -12.410 1.366 1.680 1.00 63.44 C ATOM 1205 O ALA A 71 -12.662 2.387 2.322 1.00 65.11 O ATOM 1206 CB ALA A 71 -10.096 1.081 0.734 1.00 11.24 C ATOM 0 H ALA A 71 -10.697 -1.281 1.085 1.00 73.12 H new ATOM 0 HA ALA A 71 -10.643 0.935 2.800 1.00 14.43 H new ATOM 0 HB1 ALA A 71 -9.984 2.165 0.752 1.00 11.24 H new ATOM 0 HB2 ALA A 71 -9.125 0.613 0.897 1.00 11.24 H new ATOM 0 HB3 ALA A 71 -10.489 0.773 -0.235 1.00 11.24 H new ATOM 1212 N GLN A 72 -13.274 0.820 0.827 1.00 64.33 N ATOM 1213 CA GLN A 72 -14.627 1.356 0.640 1.00 62.42 C ATOM 1214 C GLN A 72 -15.517 1.090 1.867 1.00 25.12 C ATOM 1215 O GLN A 72 -16.361 1.911 2.221 1.00 31.54 O ATOM 1216 CB GLN A 72 -15.269 0.753 -0.617 1.00 12.23 C ATOM 1217 CG GLN A 72 -14.644 1.245 -1.920 1.00 22.24 C ATOM 1218 CD GLN A 72 -15.218 0.567 -3.155 1.00 15.22 C ATOM 1219 OE1 GLN A 72 -16.365 0.128 -3.170 1.00 53.23 O ATOM 1220 NE2 GLN A 72 -14.430 0.496 -4.206 1.00 41.21 N ATOM 0 H GLN A 72 -13.064 0.005 0.251 1.00 64.33 H new ATOM 0 HA GLN A 72 -14.541 2.436 0.517 1.00 62.42 H new ATOM 0 HB2 GLN A 72 -15.186 -0.333 -0.572 1.00 12.23 H new ATOM 0 HB3 GLN A 72 -16.333 0.992 -0.621 1.00 12.23 H new ATOM 0 HG2 GLN A 72 -14.793 2.322 -2.003 1.00 22.24 H new ATOM 0 HG3 GLN A 72 -13.568 1.073 -1.887 1.00 22.24 H new ATOM 0 HE21 GLN A 72 -13.482 0.871 -4.159 1.00 41.21 H new ATOM 0 HE22 GLN A 72 -14.767 0.066 -5.068 1.00 41.21 H new ATOM 1229 N LYS A 73 -15.309 -0.055 2.521 1.00 53.21 N ATOM 1230 CA LYS A 73 -16.067 -0.407 3.732 1.00 4.24 C ATOM 1231 C LYS A 73 -15.831 0.601 4.867 1.00 64.33 C ATOM 1232 O LYS A 73 -16.733 0.888 5.656 1.00 43.25 O ATOM 1233 CB LYS A 73 -15.676 -1.812 4.224 1.00 15.11 C ATOM 1234 CG LYS A 73 -16.407 -2.959 3.532 1.00 33.44 C ATOM 1235 CD LYS A 73 -15.978 -4.313 4.102 1.00 13.32 C ATOM 1236 CE LYS A 73 -16.955 -5.424 3.733 1.00 1.51 C ATOM 1237 NZ LYS A 73 -18.285 -5.236 4.376 1.00 43.23 N ATOM 0 H LYS A 73 -14.624 -0.755 2.236 1.00 53.21 H new ATOM 0 HA LYS A 73 -17.123 -0.387 3.463 1.00 4.24 H new ATOM 0 HB2 LYS A 73 -14.603 -1.946 4.083 1.00 15.11 H new ATOM 0 HB3 LYS A 73 -15.866 -1.872 5.296 1.00 15.11 H new ATOM 0 HG2 LYS A 73 -17.483 -2.834 3.654 1.00 33.44 H new ATOM 0 HG3 LYS A 73 -16.203 -2.931 2.462 1.00 33.44 H new ATOM 0 HD2 LYS A 73 -14.985 -4.565 3.729 1.00 13.32 H new ATOM 0 HD3 LYS A 73 -15.903 -4.242 5.187 1.00 13.32 H new ATOM 0 HE2 LYS A 73 -17.077 -5.454 2.650 1.00 1.51 H new ATOM 0 HE3 LYS A 73 -16.540 -6.386 4.034 1.00 1.51 H new ATOM 0 HZ1 LYS A 73 -18.809 -6.134 4.358 1.00 43.23 H new ATOM 0 HZ2 LYS A 73 -18.154 -4.931 5.362 1.00 43.23 H new ATOM 0 HZ3 LYS A 73 -18.822 -4.512 3.858 1.00 43.23 H new ATOM 1251 N MET A 74 -14.616 1.129 4.949 1.00 65.01 N ATOM 1252 CA MET A 74 -14.238 2.027 6.045 1.00 54.03 C ATOM 1253 C MET A 74 -13.892 3.447 5.560 1.00 5.13 C ATOM 1254 O MET A 74 -13.340 4.251 6.317 1.00 5.34 O ATOM 1255 CB MET A 74 -13.061 1.413 6.806 1.00 14.24 C ATOM 1256 CG MET A 74 -13.417 0.108 7.510 1.00 10.22 C ATOM 1257 SD MET A 74 -12.022 -0.609 8.405 1.00 53.33 S ATOM 1258 CE MET A 74 -10.959 -1.094 7.048 1.00 31.13 C ATOM 0 H MET A 74 -13.873 0.954 4.273 1.00 65.01 H new ATOM 0 HA MET A 74 -15.098 2.134 6.705 1.00 54.03 H new ATOM 0 HB2 MET A 74 -12.242 1.231 6.110 1.00 14.24 H new ATOM 0 HB3 MET A 74 -12.700 2.130 7.544 1.00 14.24 H new ATOM 0 HG2 MET A 74 -14.236 0.288 8.207 1.00 10.22 H new ATOM 0 HG3 MET A 74 -13.778 -0.610 6.773 1.00 10.22 H new ATOM 0 HE1 MET A 74 -10.184 -1.766 7.416 1.00 31.13 H new ATOM 0 HE2 MET A 74 -11.550 -1.603 6.287 1.00 31.13 H new ATOM 0 HE3 MET A 74 -10.495 -0.208 6.614 1.00 31.13 H new ATOM 1268 N GLU A 75 -14.240 3.744 4.306 1.00 30.02 N ATOM 1269 CA GLU A 75 -14.025 5.068 3.695 1.00 64.25 C ATOM 1270 C GLU A 75 -12.583 5.592 3.856 1.00 74.34 C ATOM 1271 O GLU A 75 -12.310 6.465 4.687 1.00 54.31 O ATOM 1272 CB GLU A 75 -15.021 6.103 4.246 1.00 23.41 C ATOM 1273 CG GLU A 75 -16.477 5.826 3.887 1.00 60.55 C ATOM 1274 CD GLU A 75 -17.378 7.012 4.188 1.00 15.31 C ATOM 1275 OE1 GLU A 75 -17.422 7.949 3.360 1.00 50.10 O ATOM 1276 OE2 GLU A 75 -18.029 7.028 5.255 1.00 4.23 O ATOM 0 H GLU A 75 -14.682 3.072 3.678 1.00 30.02 H new ATOM 0 HA GLU A 75 -14.197 4.929 2.628 1.00 64.25 H new ATOM 0 HB2 GLU A 75 -14.927 6.138 5.331 1.00 23.41 H new ATOM 0 HB3 GLU A 75 -14.748 7.089 3.870 1.00 23.41 H new ATOM 0 HG2 GLU A 75 -16.547 5.578 2.828 1.00 60.55 H new ATOM 0 HG3 GLU A 75 -16.827 4.956 4.442 1.00 60.55 H new ATOM 1283 N ILE A 76 -11.662 5.051 3.061 1.00 21.52 N ATOM 1284 CA ILE A 76 -10.292 5.574 2.992 1.00 3.30 C ATOM 1285 C ILE A 76 -9.852 5.758 1.525 1.00 34.35 C ATOM 1286 O ILE A 76 -10.024 4.861 0.697 1.00 60.31 O ATOM 1287 CB ILE A 76 -9.279 4.653 3.729 1.00 63.01 C ATOM 1288 CG1 ILE A 76 -9.671 4.473 5.207 1.00 52.12 C ATOM 1289 CG2 ILE A 76 -7.862 5.222 3.626 1.00 30.04 C ATOM 1290 CD1 ILE A 76 -8.733 3.563 5.973 1.00 73.32 C ATOM 0 H ILE A 76 -11.836 4.250 2.454 1.00 21.52 H new ATOM 0 HA ILE A 76 -10.296 6.542 3.494 1.00 3.30 H new ATOM 0 HB ILE A 76 -9.302 3.676 3.246 1.00 63.01 H new ATOM 0 HG12 ILE A 76 -9.693 5.450 5.691 1.00 52.12 H new ATOM 0 HG13 ILE A 76 -10.682 4.068 5.260 1.00 52.12 H new ATOM 0 HG21 ILE A 76 -7.167 4.564 4.148 1.00 30.04 H new ATOM 0 HG22 ILE A 76 -7.575 5.295 2.577 1.00 30.04 H new ATOM 0 HG23 ILE A 76 -7.834 6.213 4.080 1.00 30.04 H new ATOM 0 HD11 ILE A 76 -9.069 3.481 7.007 1.00 73.32 H new ATOM 0 HD12 ILE A 76 -8.729 2.575 5.514 1.00 73.32 H new ATOM 0 HD13 ILE A 76 -7.725 3.977 5.951 1.00 73.32 H new ATOM 1302 N ASP A 77 -9.291 6.928 1.211 1.00 54.14 N ATOM 1303 CA ASP A 77 -8.874 7.249 -0.160 1.00 61.41 C ATOM 1304 C ASP A 77 -7.545 6.548 -0.516 1.00 4.01 C ATOM 1305 O ASP A 77 -6.462 6.994 -0.131 1.00 45.20 O ATOM 1306 CB ASP A 77 -8.755 8.774 -0.313 1.00 62.13 C ATOM 1307 CG ASP A 77 -8.488 9.210 -1.744 1.00 15.33 C ATOM 1308 OD1 ASP A 77 -9.305 8.888 -2.637 1.00 71.40 O ATOM 1309 OD2 ASP A 77 -7.472 9.884 -1.992 1.00 73.20 O ATOM 0 H ASP A 77 -9.114 7.671 1.887 1.00 54.14 H new ATOM 0 HA ASP A 77 -9.628 6.881 -0.856 1.00 61.41 H new ATOM 0 HB2 ASP A 77 -9.675 9.241 0.037 1.00 62.13 H new ATOM 0 HB3 ASP A 77 -7.950 9.136 0.327 1.00 62.13 H new ATOM 1314 N VAL A 78 -7.636 5.435 -1.249 1.00 73.40 N ATOM 1315 CA VAL A 78 -6.460 4.600 -1.543 1.00 21.23 C ATOM 1316 C VAL A 78 -6.147 4.509 -3.050 1.00 20.14 C ATOM 1317 O VAL A 78 -7.019 4.699 -3.897 1.00 62.13 O ATOM 1318 CB VAL A 78 -6.653 3.160 -0.994 1.00 75.24 C ATOM 1319 CG1 VAL A 78 -6.934 3.179 0.507 1.00 1.12 C ATOM 1320 CG2 VAL A 78 -7.771 2.433 -1.745 1.00 71.12 C ATOM 0 H VAL A 78 -8.508 5.089 -1.650 1.00 73.40 H new ATOM 0 HA VAL A 78 -5.620 5.088 -1.048 1.00 21.23 H new ATOM 0 HB VAL A 78 -5.724 2.614 -1.157 1.00 75.24 H new ATOM 0 HG11 VAL A 78 -7.065 2.158 0.866 1.00 1.12 H new ATOM 0 HG12 VAL A 78 -6.096 3.642 1.028 1.00 1.12 H new ATOM 0 HG13 VAL A 78 -7.842 3.751 0.700 1.00 1.12 H new ATOM 0 HG21 VAL A 78 -7.886 1.427 -1.341 1.00 71.12 H new ATOM 0 HG22 VAL A 78 -8.706 2.981 -1.625 1.00 71.12 H new ATOM 0 HG23 VAL A 78 -7.519 2.373 -2.804 1.00 71.12 H new ATOM 1330 N ARG A 79 -4.878 4.233 -3.367 1.00 43.40 N ATOM 1331 CA ARG A 79 -4.446 3.891 -4.733 1.00 4.24 C ATOM 1332 C ARG A 79 -3.954 2.438 -4.780 1.00 1.21 C ATOM 1333 O ARG A 79 -2.804 2.152 -4.454 1.00 25.12 O ATOM 1334 CB ARG A 79 -3.323 4.829 -5.224 1.00 60.03 C ATOM 1335 CG ARG A 79 -3.808 6.134 -5.848 1.00 63.01 C ATOM 1336 CD ARG A 79 -4.558 7.005 -4.856 1.00 25.40 C ATOM 1337 NE ARG A 79 -5.072 8.219 -5.480 1.00 10.11 N ATOM 1338 CZ ARG A 79 -6.120 8.861 -5.058 1.00 74.23 C ATOM 1339 NH1 ARG A 79 -6.804 8.405 -4.064 1.00 43.42 N ATOM 1340 NH2 ARG A 79 -6.493 9.950 -5.641 1.00 54.11 N ATOM 0 H ARG A 79 -4.118 4.239 -2.686 1.00 43.40 H new ATOM 0 HA ARG A 79 -5.306 4.013 -5.392 1.00 4.24 H new ATOM 0 HB2 ARG A 79 -2.672 5.065 -4.382 1.00 60.03 H new ATOM 0 HB3 ARG A 79 -2.717 4.295 -5.956 1.00 60.03 H new ATOM 0 HG2 ARG A 79 -2.954 6.686 -6.239 1.00 63.01 H new ATOM 0 HG3 ARG A 79 -4.457 5.910 -6.694 1.00 63.01 H new ATOM 0 HD2 ARG A 79 -5.385 6.439 -4.428 1.00 25.40 H new ATOM 0 HD3 ARG A 79 -3.895 7.272 -4.033 1.00 25.40 H new ATOM 0 HE ARG A 79 -4.580 8.585 -6.295 1.00 10.11 H new ATOM 0 HH11 ARG A 79 -6.523 7.538 -3.607 1.00 43.42 H new ATOM 0 HH12 ARG A 79 -7.626 8.912 -3.735 1.00 43.42 H new ATOM 0 HH21 ARG A 79 -5.965 10.310 -6.436 1.00 54.11 H new ATOM 0 HH22 ARG A 79 -7.316 10.451 -5.307 1.00 54.11 H new ATOM 1354 N THR A 80 -4.834 1.521 -5.159 1.00 1.23 N ATOM 1355 CA THR A 80 -4.480 0.098 -5.207 1.00 43.35 C ATOM 1356 C THR A 80 -4.034 -0.327 -6.615 1.00 14.41 C ATOM 1357 O THR A 80 -4.789 -0.202 -7.581 1.00 0.41 O ATOM 1358 CB THR A 80 -5.661 -0.794 -4.747 1.00 25.03 C ATOM 1359 OG1 THR A 80 -6.200 -0.293 -3.514 1.00 12.41 O ATOM 1360 CG2 THR A 80 -5.205 -2.234 -4.541 1.00 42.41 C ATOM 0 H THR A 80 -5.793 1.729 -5.437 1.00 1.23 H new ATOM 0 HA THR A 80 -3.645 -0.040 -4.520 1.00 43.35 H new ATOM 0 HB THR A 80 -6.425 -0.772 -5.524 1.00 25.03 H new ATOM 0 HG1 THR A 80 -6.947 -0.860 -3.229 1.00 12.41 H new ATOM 0 HG21 THR A 80 -6.051 -2.841 -4.218 1.00 42.41 H new ATOM 0 HG22 THR A 80 -4.812 -2.629 -5.478 1.00 42.41 H new ATOM 0 HG23 THR A 80 -4.426 -2.263 -3.779 1.00 42.41 H new ATOM 1368 N ARG A 81 -2.798 -0.815 -6.727 1.00 42.22 N ATOM 1369 CA ARG A 81 -2.239 -1.267 -8.011 1.00 15.31 C ATOM 1370 C ARG A 81 -1.657 -2.685 -7.904 1.00 63.25 C ATOM 1371 O ARG A 81 -0.932 -3.002 -6.962 1.00 11.24 O ATOM 1372 CB ARG A 81 -1.151 -0.289 -8.498 1.00 31.12 C ATOM 1373 CG ARG A 81 -1.695 1.042 -9.021 1.00 75.24 C ATOM 1374 CD ARG A 81 -2.414 0.883 -10.365 1.00 75.11 C ATOM 1375 NE ARG A 81 -1.483 0.783 -11.497 1.00 44.04 N ATOM 1376 CZ ARG A 81 -1.055 -0.339 -12.023 1.00 73.14 C ATOM 1377 NH1 ARG A 81 -1.419 -1.484 -11.540 1.00 1.30 N ATOM 1378 NH2 ARG A 81 -0.267 -0.317 -13.050 1.00 5.10 N ATOM 0 H ARG A 81 -2.157 -0.910 -5.939 1.00 42.22 H new ATOM 0 HA ARG A 81 -3.053 -1.288 -8.735 1.00 15.31 H new ATOM 0 HB2 ARG A 81 -0.463 -0.090 -7.677 1.00 31.12 H new ATOM 0 HB3 ARG A 81 -0.574 -0.769 -9.288 1.00 31.12 H new ATOM 0 HG2 ARG A 81 -2.384 1.464 -8.289 1.00 75.24 H new ATOM 0 HG3 ARG A 81 -0.874 1.750 -9.131 1.00 75.24 H new ATOM 0 HD2 ARG A 81 -3.040 -0.009 -10.334 1.00 75.11 H new ATOM 0 HD3 ARG A 81 -3.078 1.733 -10.520 1.00 75.11 H new ATOM 0 HE ARG A 81 -1.143 1.654 -11.905 1.00 44.04 H new ATOM 0 HH11 ARG A 81 -2.048 -1.522 -10.738 1.00 1.30 H new ATOM 0 HH12 ARG A 81 -1.077 -2.347 -11.961 1.00 1.30 H new ATOM 0 HH21 ARG A 81 0.022 0.575 -13.452 1.00 5.10 H new ATOM 0 HH22 ARG A 81 0.065 -1.191 -13.457 1.00 5.10 H new ATOM 1392 N LYS A 82 -1.984 -3.536 -8.875 1.00 32.31 N ATOM 1393 CA LYS A 82 -1.446 -4.901 -8.922 1.00 61.21 C ATOM 1394 C LYS A 82 -0.080 -4.933 -9.629 1.00 51.20 C ATOM 1395 O LYS A 82 0.019 -4.625 -10.820 1.00 52.44 O ATOM 1396 CB LYS A 82 -2.435 -5.832 -9.643 1.00 32.50 C ATOM 1397 CG LYS A 82 -1.986 -7.291 -9.695 1.00 3.44 C ATOM 1398 CD LYS A 82 -2.986 -8.170 -10.448 1.00 50.23 C ATOM 1399 CE LYS A 82 -3.138 -7.743 -11.905 1.00 1.42 C ATOM 1400 NZ LYS A 82 -4.069 -8.632 -12.653 1.00 14.23 N ATOM 0 H LYS A 82 -2.618 -3.308 -9.641 1.00 32.31 H new ATOM 0 HA LYS A 82 -1.307 -5.248 -7.898 1.00 61.21 H new ATOM 0 HB2 LYS A 82 -3.402 -5.777 -9.142 1.00 32.50 H new ATOM 0 HB3 LYS A 82 -2.583 -5.471 -10.661 1.00 32.50 H new ATOM 0 HG2 LYS A 82 -1.011 -7.354 -10.179 1.00 3.44 H new ATOM 0 HG3 LYS A 82 -1.863 -7.669 -8.680 1.00 3.44 H new ATOM 0 HD2 LYS A 82 -2.658 -9.209 -10.407 1.00 50.23 H new ATOM 0 HD3 LYS A 82 -3.956 -8.122 -9.953 1.00 50.23 H new ATOM 0 HE2 LYS A 82 -3.505 -6.717 -11.946 1.00 1.42 H new ATOM 0 HE3 LYS A 82 -2.161 -7.752 -12.389 1.00 1.42 H new ATOM 0 HZ1 LYS A 82 -3.966 -8.462 -13.674 1.00 14.23 H new ATOM 0 HZ2 LYS A 82 -3.845 -9.625 -12.443 1.00 14.23 H new ATOM 0 HZ3 LYS A 82 -5.048 -8.430 -12.366 1.00 14.23 H new ATOM 1414 N VAL A 83 0.969 -5.297 -8.889 1.00 31.32 N ATOM 1415 CA VAL A 83 2.332 -5.359 -9.435 1.00 4.22 C ATOM 1416 C VAL A 83 3.050 -6.657 -9.022 1.00 32.22 C ATOM 1417 O VAL A 83 2.936 -7.115 -7.886 1.00 62.44 O ATOM 1418 CB VAL A 83 3.187 -4.141 -8.981 1.00 65.20 C ATOM 1419 CG1 VAL A 83 2.585 -2.831 -9.488 1.00 70.32 C ATOM 1420 CG2 VAL A 83 3.338 -4.115 -7.460 1.00 15.42 C ATOM 0 H VAL A 83 0.903 -5.555 -7.904 1.00 31.32 H new ATOM 0 HA VAL A 83 2.229 -5.338 -10.520 1.00 4.22 H new ATOM 0 HB VAL A 83 4.180 -4.248 -9.418 1.00 65.20 H new ATOM 0 HG11 VAL A 83 3.201 -1.995 -9.157 1.00 70.32 H new ATOM 0 HG12 VAL A 83 2.548 -2.845 -10.577 1.00 70.32 H new ATOM 0 HG13 VAL A 83 1.576 -2.717 -9.092 1.00 70.32 H new ATOM 0 HG21 VAL A 83 3.940 -3.254 -7.169 1.00 15.42 H new ATOM 0 HG22 VAL A 83 2.353 -4.043 -6.998 1.00 15.42 H new ATOM 0 HG23 VAL A 83 3.829 -5.030 -7.127 1.00 15.42 H new ATOM 1430 N THR A 84 3.787 -7.248 -9.960 1.00 13.31 N ATOM 1431 CA THR A 84 4.560 -8.473 -9.689 1.00 24.41 C ATOM 1432 C THR A 84 6.072 -8.204 -9.710 1.00 73.51 C ATOM 1433 O THR A 84 6.857 -8.949 -9.119 1.00 31.03 O ATOM 1434 CB THR A 84 4.240 -9.585 -10.721 1.00 3.13 C ATOM 1435 OG1 THR A 84 4.568 -9.136 -12.049 1.00 55.03 O ATOM 1436 CG2 THR A 84 2.766 -9.981 -10.665 1.00 1.30 C ATOM 0 H THR A 84 3.870 -6.904 -10.917 1.00 13.31 H new ATOM 0 HA THR A 84 4.268 -8.807 -8.693 1.00 24.41 H new ATOM 0 HB THR A 84 4.842 -10.458 -10.471 1.00 3.13 H new ATOM 0 HG1 THR A 84 4.364 -9.845 -12.694 1.00 55.03 H new ATOM 0 HG21 THR A 84 2.571 -10.762 -11.400 1.00 1.30 H new ATOM 0 HG22 THR A 84 2.526 -10.352 -9.668 1.00 1.30 H new ATOM 0 HG23 THR A 84 2.147 -9.112 -10.887 1.00 1.30 H new ATOM 1444 N SER A 85 6.474 -7.129 -10.392 1.00 12.15 N ATOM 1445 CA SER A 85 7.894 -6.764 -10.525 1.00 41.14 C ATOM 1446 C SER A 85 8.347 -5.812 -9.406 1.00 52.33 C ATOM 1447 O SER A 85 7.630 -4.875 -9.056 1.00 75.34 O ATOM 1448 CB SER A 85 8.148 -6.088 -11.881 1.00 42.42 C ATOM 1449 OG SER A 85 7.829 -6.947 -12.968 1.00 54.44 O ATOM 0 H SER A 85 5.835 -6.490 -10.865 1.00 12.15 H new ATOM 0 HA SER A 85 8.468 -7.687 -10.452 1.00 41.14 H new ATOM 0 HB2 SER A 85 7.552 -5.178 -11.950 1.00 42.42 H new ATOM 0 HB3 SER A 85 9.194 -5.790 -11.948 1.00 42.42 H new ATOM 0 HG SER A 85 8.002 -6.483 -13.814 1.00 54.44 H new ATOM 1455 N PRO A 86 9.560 -6.021 -8.846 1.00 32.24 N ATOM 1456 CA PRO A 86 10.122 -5.126 -7.815 1.00 4.14 C ATOM 1457 C PRO A 86 10.259 -3.679 -8.313 1.00 63.15 C ATOM 1458 O PRO A 86 9.945 -2.730 -7.591 1.00 74.34 O ATOM 1459 CB PRO A 86 11.504 -5.739 -7.512 1.00 0.23 C ATOM 1460 CG PRO A 86 11.805 -6.621 -8.680 1.00 75.00 C ATOM 1461 CD PRO A 86 10.473 -7.137 -9.158 1.00 22.21 C ATOM 0 HA PRO A 86 9.479 -5.060 -6.937 1.00 4.14 H new ATOM 0 HB2 PRO A 86 12.262 -4.964 -7.398 1.00 0.23 H new ATOM 0 HB3 PRO A 86 11.487 -6.308 -6.583 1.00 0.23 H new ATOM 0 HG2 PRO A 86 12.315 -6.066 -9.468 1.00 75.00 H new ATOM 0 HG3 PRO A 86 12.462 -7.442 -8.391 1.00 75.00 H new ATOM 0 HD2 PRO A 86 10.486 -7.363 -10.224 1.00 22.21 H new ATOM 0 HD3 PRO A 86 10.185 -8.052 -8.641 1.00 22.21 H new ATOM 1469 N ASP A 87 10.715 -3.523 -9.557 1.00 65.35 N ATOM 1470 CA ASP A 87 10.869 -2.201 -10.174 1.00 22.33 C ATOM 1471 C ASP A 87 9.541 -1.422 -10.184 1.00 3.05 C ATOM 1472 O ASP A 87 9.519 -0.212 -9.942 1.00 71.01 O ATOM 1473 CB ASP A 87 11.415 -2.353 -11.598 1.00 5.10 C ATOM 1474 CG ASP A 87 11.532 -1.024 -12.324 1.00 62.41 C ATOM 1475 OD1 ASP A 87 12.407 -0.210 -11.953 1.00 75.40 O ATOM 1476 OD2 ASP A 87 10.755 -0.785 -13.269 1.00 30.14 O ATOM 0 H ASP A 87 10.986 -4.299 -10.161 1.00 65.35 H new ATOM 0 HA ASP A 87 11.578 -1.628 -9.577 1.00 22.33 H new ATOM 0 HB2 ASP A 87 12.395 -2.829 -11.558 1.00 5.10 H new ATOM 0 HB3 ASP A 87 10.761 -3.016 -12.165 1.00 5.10 H new ATOM 1481 N GLU A 88 8.439 -2.120 -10.467 1.00 53.35 N ATOM 1482 CA GLU A 88 7.104 -1.508 -10.429 1.00 43.43 C ATOM 1483 C GLU A 88 6.778 -0.961 -9.032 1.00 62.22 C ATOM 1484 O GLU A 88 6.427 0.206 -8.886 1.00 3.33 O ATOM 1485 CB GLU A 88 6.026 -2.516 -10.860 1.00 11.42 C ATOM 1486 CG GLU A 88 6.027 -2.832 -12.352 1.00 73.23 C ATOM 1487 CD GLU A 88 5.739 -1.608 -13.210 1.00 33.31 C ATOM 1488 OE1 GLU A 88 4.615 -1.071 -13.129 1.00 61.22 O ATOM 1489 OE2 GLU A 88 6.633 -1.181 -13.974 1.00 32.34 O ATOM 0 H GLU A 88 8.442 -3.107 -10.725 1.00 53.35 H new ATOM 0 HA GLU A 88 7.110 -0.675 -11.132 1.00 43.43 H new ATOM 0 HB2 GLU A 88 6.168 -3.443 -10.304 1.00 11.42 H new ATOM 0 HB3 GLU A 88 5.047 -2.125 -10.583 1.00 11.42 H new ATOM 0 HG2 GLU A 88 6.996 -3.247 -12.631 1.00 73.23 H new ATOM 0 HG3 GLU A 88 5.280 -3.599 -12.558 1.00 73.23 H new ATOM 1496 N ALA A 89 6.898 -1.805 -8.008 1.00 51.01 N ATOM 1497 CA ALA A 89 6.649 -1.378 -6.622 1.00 40.11 C ATOM 1498 C ALA A 89 7.457 -0.117 -6.269 1.00 30.21 C ATOM 1499 O ALA A 89 6.916 0.861 -5.753 1.00 11.02 O ATOM 1500 CB ALA A 89 6.983 -2.508 -5.655 1.00 52.42 C ATOM 0 H ALA A 89 7.165 -2.785 -8.106 1.00 51.01 H new ATOM 0 HA ALA A 89 5.591 -1.132 -6.532 1.00 40.11 H new ATOM 0 HB1 ALA A 89 6.795 -2.180 -4.633 1.00 52.42 H new ATOM 0 HB2 ALA A 89 6.360 -3.374 -5.879 1.00 52.42 H new ATOM 0 HB3 ALA A 89 8.033 -2.779 -5.761 1.00 52.42 H new ATOM 1506 N LYS A 90 8.756 -0.155 -6.565 1.00 55.32 N ATOM 1507 CA LYS A 90 9.647 0.999 -6.372 1.00 53.14 C ATOM 1508 C LYS A 90 9.134 2.239 -7.131 1.00 72.12 C ATOM 1509 O LYS A 90 9.116 3.355 -6.605 1.00 20.43 O ATOM 1510 CB LYS A 90 11.051 0.629 -6.869 1.00 13.01 C ATOM 1511 CG LYS A 90 11.653 -0.582 -6.160 1.00 11.42 C ATOM 1512 CD LYS A 90 12.818 -1.190 -6.942 1.00 4.02 C ATOM 1513 CE LYS A 90 13.986 -0.224 -7.084 1.00 34.20 C ATOM 1514 NZ LYS A 90 15.093 -0.816 -7.879 1.00 50.35 N ATOM 0 H LYS A 90 9.222 -0.979 -6.943 1.00 55.32 H new ATOM 0 HA LYS A 90 9.674 1.247 -5.311 1.00 53.14 H new ATOM 0 HB2 LYS A 90 11.007 0.428 -7.939 1.00 13.01 H new ATOM 0 HB3 LYS A 90 11.712 1.485 -6.733 1.00 13.01 H new ATOM 0 HG2 LYS A 90 11.998 -0.286 -5.169 1.00 11.42 H new ATOM 0 HG3 LYS A 90 10.881 -1.338 -6.016 1.00 11.42 H new ATOM 0 HD2 LYS A 90 13.157 -2.095 -6.439 1.00 4.02 H new ATOM 0 HD3 LYS A 90 12.472 -1.487 -7.932 1.00 4.02 H new ATOM 0 HE2 LYS A 90 13.644 0.693 -7.563 1.00 34.20 H new ATOM 0 HE3 LYS A 90 14.354 0.051 -6.095 1.00 34.20 H new ATOM 0 HZ1 LYS A 90 15.794 -0.080 -8.099 1.00 50.35 H new ATOM 0 HZ2 LYS A 90 15.547 -1.574 -7.331 1.00 50.35 H new ATOM 0 HZ3 LYS A 90 14.713 -1.209 -8.764 1.00 50.35 H new ATOM 1528 N ARG A 91 8.720 2.013 -8.373 1.00 11.33 N ATOM 1529 CA ARG A 91 8.198 3.067 -9.252 1.00 23.04 C ATOM 1530 C ARG A 91 6.919 3.709 -8.691 1.00 3.12 C ATOM 1531 O ARG A 91 6.838 4.926 -8.564 1.00 71.23 O ATOM 1532 CB ARG A 91 7.924 2.448 -10.635 1.00 23.05 C ATOM 1533 CG ARG A 91 7.037 3.277 -11.562 1.00 40.34 C ATOM 1534 CD ARG A 91 6.608 2.459 -12.778 1.00 72.32 C ATOM 1535 NE ARG A 91 5.688 3.189 -13.642 1.00 65.55 N ATOM 1536 CZ ARG A 91 4.982 2.635 -14.590 1.00 72.04 C ATOM 1537 NH1 ARG A 91 5.018 1.353 -14.786 1.00 74.00 N ATOM 1538 NH2 ARG A 91 4.225 3.370 -15.328 1.00 64.11 N ATOM 0 H ARG A 91 8.735 1.090 -8.806 1.00 11.33 H new ATOM 0 HA ARG A 91 8.940 3.862 -9.326 1.00 23.04 H new ATOM 0 HB2 ARG A 91 8.879 2.276 -11.132 1.00 23.05 H new ATOM 0 HB3 ARG A 91 7.459 1.473 -10.492 1.00 23.05 H new ATOM 0 HG2 ARG A 91 6.156 3.619 -11.019 1.00 40.34 H new ATOM 0 HG3 ARG A 91 7.576 4.167 -11.888 1.00 40.34 H new ATOM 0 HD2 ARG A 91 7.491 2.174 -13.350 1.00 72.32 H new ATOM 0 HD3 ARG A 91 6.133 1.537 -12.443 1.00 72.32 H new ATOM 0 HE ARG A 91 5.590 4.194 -13.497 1.00 65.55 H new ATOM 0 HH11 ARG A 91 5.604 0.763 -14.195 1.00 74.00 H new ATOM 0 HH12 ARG A 91 4.460 0.935 -15.531 1.00 74.00 H new ATOM 0 HH21 ARG A 91 4.180 4.377 -15.170 1.00 64.11 H new ATOM 0 HH22 ARG A 91 3.670 2.946 -16.071 1.00 64.11 H new ATOM 1552 N TRP A 92 5.933 2.885 -8.350 1.00 61.25 N ATOM 1553 CA TRP A 92 4.623 3.378 -7.907 1.00 53.55 C ATOM 1554 C TRP A 92 4.693 4.084 -6.546 1.00 72.11 C ATOM 1555 O TRP A 92 3.952 5.037 -6.301 1.00 14.30 O ATOM 1556 CB TRP A 92 3.608 2.229 -7.888 1.00 52.25 C ATOM 1557 CG TRP A 92 3.262 1.765 -9.275 1.00 52.31 C ATOM 1558 CD1 TRP A 92 3.704 0.640 -9.911 1.00 75.20 C ATOM 1559 CD2 TRP A 92 2.415 2.444 -10.205 1.00 44.22 C ATOM 1560 NE1 TRP A 92 3.193 0.587 -11.185 1.00 11.35 N ATOM 1561 CE2 TRP A 92 2.395 1.682 -11.388 1.00 54.03 C ATOM 1562 CE3 TRP A 92 1.678 3.626 -10.151 1.00 22.42 C ATOM 1563 CZ2 TRP A 92 1.658 2.065 -12.505 1.00 63.42 C ATOM 1564 CZ3 TRP A 92 0.946 4.005 -11.256 1.00 34.25 C ATOM 1565 CH2 TRP A 92 0.943 3.230 -12.422 1.00 41.22 C ATOM 0 H TRP A 92 6.012 1.868 -8.370 1.00 61.25 H new ATOM 0 HA TRP A 92 4.292 4.129 -8.624 1.00 53.55 H new ATOM 0 HB2 TRP A 92 4.015 1.395 -7.317 1.00 52.25 H new ATOM 0 HB3 TRP A 92 2.702 2.553 -7.377 1.00 52.25 H new ATOM 0 HD1 TRP A 92 4.360 -0.100 -9.476 1.00 75.20 H new ATOM 0 HE1 TRP A 92 3.378 -0.148 -11.868 1.00 11.35 H new ATOM 0 HE3 TRP A 92 1.680 4.234 -9.259 1.00 22.42 H new ATOM 0 HZ2 TRP A 92 1.650 1.466 -13.404 1.00 63.42 H new ATOM 0 HZ3 TRP A 92 0.365 4.915 -11.222 1.00 34.25 H new ATOM 0 HH2 TRP A 92 0.365 3.558 -13.273 1.00 41.22 H new ATOM 1576 N ILE A 93 5.582 3.628 -5.662 1.00 41.24 N ATOM 1577 CA ILE A 93 5.830 4.346 -4.405 1.00 52.11 C ATOM 1578 C ILE A 93 6.355 5.759 -4.695 1.00 45.24 C ATOM 1579 O ILE A 93 5.929 6.739 -4.077 1.00 53.23 O ATOM 1580 CB ILE A 93 6.832 3.590 -3.494 1.00 23.22 C ATOM 1581 CG1 ILE A 93 6.231 2.248 -3.049 1.00 75.32 C ATOM 1582 CG2 ILE A 93 7.219 4.437 -2.277 1.00 50.20 C ATOM 1583 CD1 ILE A 93 7.152 1.424 -2.179 1.00 54.54 C ATOM 0 H ILE A 93 6.135 2.780 -5.787 1.00 41.24 H new ATOM 0 HA ILE A 93 4.880 4.411 -3.875 1.00 52.11 H new ATOM 0 HB ILE A 93 7.739 3.397 -4.068 1.00 23.22 H new ATOM 0 HG12 ILE A 93 5.306 2.438 -2.504 1.00 75.32 H new ATOM 0 HG13 ILE A 93 5.967 1.668 -3.933 1.00 75.32 H new ATOM 0 HG21 ILE A 93 7.922 3.882 -1.656 1.00 50.20 H new ATOM 0 HG22 ILE A 93 7.684 5.364 -2.612 1.00 50.20 H new ATOM 0 HG23 ILE A 93 6.326 4.668 -1.696 1.00 50.20 H new ATOM 0 HD11 ILE A 93 6.657 0.492 -1.906 1.00 54.54 H new ATOM 0 HD12 ILE A 93 8.068 1.202 -2.727 1.00 54.54 H new ATOM 0 HD13 ILE A 93 7.396 1.983 -1.276 1.00 54.54 H new ATOM 1595 N LYS A 94 7.270 5.858 -5.659 1.00 20.13 N ATOM 1596 CA LYS A 94 7.777 7.156 -6.099 1.00 10.13 C ATOM 1597 C LYS A 94 6.657 7.981 -6.758 1.00 50.20 C ATOM 1598 O LYS A 94 6.491 9.158 -6.457 1.00 31.43 O ATOM 1599 CB LYS A 94 8.951 6.982 -7.072 1.00 41.44 C ATOM 1600 CG LYS A 94 9.666 8.292 -7.378 1.00 55.42 C ATOM 1601 CD LYS A 94 10.852 8.111 -8.317 1.00 23.11 C ATOM 1602 CE LYS A 94 11.751 9.345 -8.319 1.00 44.11 C ATOM 1603 NZ LYS A 94 10.992 10.606 -8.558 1.00 5.42 N ATOM 0 H LYS A 94 7.673 5.059 -6.148 1.00 20.13 H new ATOM 0 HA LYS A 94 8.134 7.693 -5.221 1.00 10.13 H new ATOM 0 HB2 LYS A 94 9.665 6.274 -6.650 1.00 41.44 H new ATOM 0 HB3 LYS A 94 8.584 6.548 -8.002 1.00 41.44 H new ATOM 0 HG2 LYS A 94 8.959 8.991 -7.824 1.00 55.42 H new ATOM 0 HG3 LYS A 94 10.011 8.739 -6.446 1.00 55.42 H new ATOM 0 HD2 LYS A 94 11.430 7.238 -8.013 1.00 23.11 H new ATOM 0 HD3 LYS A 94 10.492 7.919 -9.328 1.00 23.11 H new ATOM 0 HE2 LYS A 94 12.270 9.413 -7.363 1.00 44.11 H new ATOM 0 HE3 LYS A 94 12.514 9.233 -9.089 1.00 44.11 H new ATOM 0 HZ1 LYS A 94 11.652 11.409 -8.584 1.00 5.42 H new ATOM 0 HZ2 LYS A 94 10.490 10.542 -9.466 1.00 5.42 H new ATOM 0 HZ3 LYS A 94 10.304 10.748 -7.791 1.00 5.42 H new ATOM 1617 N GLU A 95 5.883 7.343 -7.641 1.00 0.14 N ATOM 1618 CA GLU A 95 4.736 7.988 -8.302 1.00 31.14 C ATOM 1619 C GLU A 95 3.767 8.596 -7.282 1.00 14.44 C ATOM 1620 O GLU A 95 3.231 9.686 -7.488 1.00 22.22 O ATOM 1621 CB GLU A 95 3.984 6.974 -9.183 1.00 54.10 C ATOM 1622 CG GLU A 95 4.752 6.531 -10.422 1.00 32.42 C ATOM 1623 CD GLU A 95 4.980 7.669 -11.404 1.00 12.43 C ATOM 1624 OE1 GLU A 95 4.067 7.958 -12.211 1.00 4.51 O ATOM 1625 OE2 GLU A 95 6.061 8.285 -11.373 1.00 21.31 O ATOM 0 H GLU A 95 6.029 6.372 -7.919 1.00 0.14 H new ATOM 0 HA GLU A 95 5.129 8.792 -8.925 1.00 31.14 H new ATOM 0 HB2 GLU A 95 3.746 6.095 -8.584 1.00 54.10 H new ATOM 0 HB3 GLU A 95 3.036 7.413 -9.495 1.00 54.10 H new ATOM 0 HG2 GLU A 95 5.714 6.118 -10.120 1.00 32.42 H new ATOM 0 HG3 GLU A 95 4.203 5.731 -10.919 1.00 32.42 H new ATOM 1632 N PHE A 96 3.544 7.874 -6.189 1.00 2.03 N ATOM 1633 CA PHE A 96 2.679 8.345 -5.104 1.00 61.23 C ATOM 1634 C PHE A 96 3.292 9.574 -4.410 1.00 12.01 C ATOM 1635 O PHE A 96 2.580 10.476 -3.966 1.00 43.15 O ATOM 1636 CB PHE A 96 2.463 7.207 -4.099 1.00 61.23 C ATOM 1637 CG PHE A 96 1.291 7.407 -3.170 1.00 33.04 C ATOM 1638 CD1 PHE A 96 0.003 7.508 -3.678 1.00 74.00 C ATOM 1639 CD2 PHE A 96 1.474 7.482 -1.797 1.00 45.30 C ATOM 1640 CE1 PHE A 96 -1.075 7.679 -2.835 1.00 14.30 C ATOM 1641 CE2 PHE A 96 0.396 7.651 -0.952 1.00 3.12 C ATOM 1642 CZ PHE A 96 -0.878 7.753 -1.473 1.00 72.55 C ATOM 0 H PHE A 96 3.952 6.953 -6.027 1.00 2.03 H new ATOM 0 HA PHE A 96 1.717 8.645 -5.519 1.00 61.23 H new ATOM 0 HB2 PHE A 96 2.320 6.276 -4.648 1.00 61.23 H new ATOM 0 HB3 PHE A 96 3.368 7.090 -3.502 1.00 61.23 H new ATOM 0 HD1 PHE A 96 -0.157 7.452 -4.745 1.00 74.00 H new ATOM 0 HD2 PHE A 96 2.470 7.407 -1.385 1.00 45.30 H new ATOM 0 HE1 PHE A 96 -2.073 7.755 -3.242 1.00 14.30 H new ATOM 0 HE2 PHE A 96 0.549 7.703 0.116 1.00 3.12 H new ATOM 0 HZ PHE A 96 -1.721 7.891 -0.813 1.00 72.55 H new ATOM 1652 N SER A 97 4.621 9.604 -4.329 1.00 35.42 N ATOM 1653 CA SER A 97 5.341 10.758 -3.769 1.00 51.12 C ATOM 1654 C SER A 97 5.329 11.950 -4.744 1.00 3.14 C ATOM 1655 O SER A 97 5.262 13.109 -4.323 1.00 41.22 O ATOM 1656 CB SER A 97 6.784 10.371 -3.425 1.00 23.31 C ATOM 1657 OG SER A 97 7.470 11.441 -2.791 1.00 32.33 O ATOM 0 H SER A 97 5.226 8.845 -4.643 1.00 35.42 H new ATOM 0 HA SER A 97 4.828 11.062 -2.857 1.00 51.12 H new ATOM 0 HB2 SER A 97 6.782 9.499 -2.771 1.00 23.31 H new ATOM 0 HB3 SER A 97 7.313 10.086 -4.335 1.00 23.31 H new ATOM 0 HG SER A 97 8.387 11.164 -2.582 1.00 32.33 H new ATOM 1663 N GLU A 98 5.399 11.663 -6.050 1.00 0.25 N ATOM 1664 CA GLU A 98 5.220 12.695 -7.085 1.00 61.34 C ATOM 1665 C GLU A 98 3.803 13.279 -6.982 1.00 55.21 C ATOM 1666 O GLU A 98 3.588 14.485 -7.132 1.00 13.11 O ATOM 1667 CB GLU A 98 5.419 12.106 -8.496 1.00 75.44 C ATOM 1668 CG GLU A 98 6.714 11.316 -8.697 1.00 62.20 C ATOM 1669 CD GLU A 98 7.974 12.142 -8.482 1.00 55.34 C ATOM 1670 OE1 GLU A 98 8.200 13.104 -9.244 1.00 41.50 O ATOM 1671 OE2 GLU A 98 8.754 11.823 -7.560 1.00 14.32 O ATOM 0 H GLU A 98 5.578 10.728 -6.417 1.00 0.25 H new ATOM 0 HA GLU A 98 5.965 13.474 -6.924 1.00 61.34 H new ATOM 0 HB2 GLU A 98 4.576 11.453 -8.722 1.00 75.44 H new ATOM 0 HB3 GLU A 98 5.394 12.921 -9.219 1.00 75.44 H new ATOM 0 HG2 GLU A 98 6.723 10.470 -8.010 1.00 62.20 H new ATOM 0 HG3 GLU A 98 6.726 10.907 -9.707 1.00 62.20 H new