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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -148:sc= 0 (180deg=-0.863) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.282 USER MOD Single : A 10 ASN : amide:sc=-0.00169 X(o=-0.0017,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0416 (180deg=-0.213) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0.82 (180deg=0.776) USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= 0.245 (180deg=0.0799) USER MOD Single : A 21 MET CE :methyl -150:sc= -0.208 (180deg=-0.781) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0574 (180deg=-0.339) USER MOD Single : A 26 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.35) USER MOD Single : A 31 THR OG1 : rot 49:sc= 0.395 USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -0.043 (180deg=-0.22) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.869) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 0.665 (180deg=0.449) USER MOD Single : A 41 TYR OH : rot -132:sc= 0.0138 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0235) USER MOD Single : A 49 SER OG : rot 145:sc= 0.48 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 51 ASN : amide:sc= -0.0511 X(o=-0.051,f=-0.03) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= -4.06! (180deg=-4.52!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0929 X(o=-0.093,f=-0.093) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= -2.81! (180deg=-2.92!) USER MOD Single : A 72 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0495) USER MOD Single : A 74 MET CE :methyl 134:sc= -0.378 (180deg=-1.93) USER MOD Single : A 80 THR OG1 : rot 39:sc= 0.0344 USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.16) USER MOD Single : A 90 LYS NZ :NH3+ -141:sc= -0.894 (180deg=-2.45!) USER MOD Single : A 94 LYS NZ :NH3+ -134:sc= 2.14 (180deg=0.268) USER MOD Single : A 97 SER OG : rot -40:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.339 16.751 4.322 1.00 34.23 N ATOM 2 CA MET A 1 -0.498 15.653 3.765 1.00 72.14 C ATOM 3 C MET A 1 0.124 14.284 4.092 1.00 63.11 C ATOM 4 O MET A 1 1.288 14.042 3.776 1.00 42.44 O ATOM 5 CB MET A 1 -0.630 15.826 2.243 1.00 44.42 C ATOM 6 CG MET A 1 -1.767 15.024 1.631 1.00 61.31 C ATOM 7 SD MET A 1 -3.372 15.538 2.273 1.00 64.41 S ATOM 8 CE MET A 1 -4.476 14.505 1.317 1.00 63.23 C ATOM 0 H1 MET A 1 -0.094 17.668 4.093 1.00 34.23 H new ATOM 0 H2 MET A 1 0.405 16.648 5.355 1.00 34.23 H new ATOM 0 H3 MET A 1 1.292 16.705 3.908 1.00 34.23 H new ATOM 0 HA MET A 1 -1.488 15.698 4.219 1.00 72.14 H new ATOM 0 HB2 MET A 1 -0.781 16.882 2.018 1.00 44.42 H new ATOM 0 HB3 MET A 1 0.307 15.530 1.770 1.00 44.42 H new ATOM 0 HG2 MET A 1 -1.754 15.144 0.548 1.00 61.31 H new ATOM 0 HG3 MET A 1 -1.616 13.964 1.837 1.00 61.31 H new ATOM 0 HE1 MET A 1 -5.414 15.034 1.148 1.00 63.23 H new ATOM 0 HE2 MET A 1 -4.015 14.269 0.358 1.00 63.23 H new ATOM 0 HE3 MET A 1 -4.673 13.582 1.862 1.00 63.23 H new ATOM 20 N LEU A 2 -0.643 13.390 4.721 1.00 62.40 N ATOM 21 CA LEU A 2 -0.126 12.064 5.101 1.00 63.00 C ATOM 22 C LEU A 2 -0.136 11.096 3.904 1.00 60.24 C ATOM 23 O LEU A 2 -1.186 10.833 3.316 1.00 0.41 O ATOM 24 CB LEU A 2 -0.941 11.450 6.259 1.00 72.21 C ATOM 25 CG LEU A 2 -0.924 12.223 7.597 1.00 12.04 C ATOM 26 CD1 LEU A 2 -1.873 13.415 7.564 1.00 33.41 C ATOM 27 CD2 LEU A 2 -1.268 11.295 8.765 1.00 4.12 C ATOM 0 H LEU A 2 -1.616 13.554 4.978 1.00 62.40 H new ATOM 0 HA LEU A 2 0.902 12.211 5.432 1.00 63.00 H new ATOM 0 HB2 LEU A 2 -1.977 11.353 5.934 1.00 72.21 H new ATOM 0 HB3 LEU A 2 -0.569 10.442 6.442 1.00 72.21 H new ATOM 0 HG LEU A 2 0.086 12.605 7.744 1.00 12.04 H new ATOM 0 HD11 LEU A 2 -1.836 13.936 8.521 1.00 33.41 H new ATOM 0 HD12 LEU A 2 -1.574 14.097 6.768 1.00 33.41 H new ATOM 0 HD13 LEU A 2 -2.889 13.066 7.380 1.00 33.41 H new ATOM 0 HD21 LEU A 2 -1.250 11.861 9.697 1.00 4.12 H new ATOM 0 HD22 LEU A 2 -2.262 10.874 8.615 1.00 4.12 H new ATOM 0 HD23 LEU A 2 -0.537 10.488 8.816 1.00 4.12 H new ATOM 39 N LEU A 3 1.035 10.566 3.550 1.00 23.04 N ATOM 40 CA LEU A 3 1.157 9.614 2.435 1.00 3.42 C ATOM 41 C LEU A 3 1.682 8.251 2.926 1.00 53.24 C ATOM 42 O LEU A 3 2.817 8.140 3.394 1.00 12.20 O ATOM 43 CB LEU A 3 2.086 10.188 1.351 1.00 32.44 C ATOM 44 CG LEU A 3 1.630 11.521 0.725 1.00 22.43 C ATOM 45 CD1 LEU A 3 2.666 12.032 -0.272 1.00 71.24 C ATOM 46 CD2 LEU A 3 0.268 11.367 0.053 1.00 65.34 C ATOM 0 H LEU A 3 1.917 10.777 4.017 1.00 23.04 H new ATOM 0 HA LEU A 3 0.167 9.458 2.007 1.00 3.42 H new ATOM 0 HB2 LEU A 3 3.076 10.330 1.784 1.00 32.44 H new ATOM 0 HB3 LEU A 3 2.188 9.449 0.556 1.00 32.44 H new ATOM 0 HG LEU A 3 1.534 12.255 1.525 1.00 22.43 H new ATOM 0 HD11 LEU A 3 2.324 12.974 -0.702 1.00 71.24 H new ATOM 0 HD12 LEU A 3 3.616 12.190 0.239 1.00 71.24 H new ATOM 0 HD13 LEU A 3 2.799 11.298 -1.067 1.00 71.24 H new ATOM 0 HD21 LEU A 3 -0.033 12.320 -0.382 1.00 65.34 H new ATOM 0 HD22 LEU A 3 0.333 10.614 -0.733 1.00 65.34 H new ATOM 0 HD23 LEU A 3 -0.470 11.056 0.793 1.00 65.34 H new ATOM 58 N TYR A 4 0.843 7.218 2.822 1.00 31.43 N ATOM 59 CA TYR A 4 1.179 5.875 3.316 1.00 41.40 C ATOM 60 C TYR A 4 1.140 4.822 2.198 1.00 60.23 C ATOM 61 O TYR A 4 0.505 5.015 1.160 1.00 5.24 O ATOM 62 CB TYR A 4 0.218 5.472 4.446 1.00 0.13 C ATOM 63 CG TYR A 4 0.555 6.094 5.788 1.00 64.44 C ATOM 64 CD1 TYR A 4 0.490 7.472 5.985 1.00 52.43 C ATOM 65 CD2 TYR A 4 0.935 5.299 6.862 1.00 13.43 C ATOM 66 CE1 TYR A 4 0.805 8.034 7.208 1.00 1.35 C ATOM 67 CE2 TYR A 4 1.246 5.855 8.085 1.00 31.03 C ATOM 68 CZ TYR A 4 1.179 7.219 8.256 1.00 52.12 C ATOM 69 OH TYR A 4 1.498 7.766 9.478 1.00 50.13 O ATOM 0 H TYR A 4 -0.082 7.284 2.397 1.00 31.43 H new ATOM 0 HA TYR A 4 2.199 5.914 3.697 1.00 41.40 H new ATOM 0 HB2 TYR A 4 -0.796 5.759 4.167 1.00 0.13 H new ATOM 0 HB3 TYR A 4 0.226 4.387 4.547 1.00 0.13 H new ATOM 0 HD1 TYR A 4 0.189 8.112 5.169 1.00 52.43 H new ATOM 0 HD2 TYR A 4 0.988 4.228 6.737 1.00 13.43 H new ATOM 0 HE1 TYR A 4 0.759 9.105 7.342 1.00 1.35 H new ATOM 0 HE2 TYR A 4 1.542 5.221 8.908 1.00 31.03 H new ATOM 0 HH TYR A 4 1.738 7.051 10.104 1.00 50.13 H new ATOM 79 N VAL A 5 1.823 3.700 2.426 1.00 35.45 N ATOM 80 CA VAL A 5 1.887 2.605 1.448 1.00 51.44 C ATOM 81 C VAL A 5 1.589 1.241 2.102 1.00 72.31 C ATOM 82 O VAL A 5 2.186 0.889 3.118 1.00 61.11 O ATOM 83 CB VAL A 5 3.286 2.547 0.773 1.00 23.01 C ATOM 84 CG1 VAL A 5 3.375 1.384 -0.217 1.00 12.41 C ATOM 85 CG2 VAL A 5 3.609 3.871 0.077 1.00 24.11 C ATOM 0 H VAL A 5 2.344 3.522 3.284 1.00 35.45 H new ATOM 0 HA VAL A 5 1.125 2.808 0.695 1.00 51.44 H new ATOM 0 HB VAL A 5 4.026 2.380 1.556 1.00 23.01 H new ATOM 0 HG11 VAL A 5 4.365 1.369 -0.673 1.00 12.41 H new ATOM 0 HG12 VAL A 5 3.204 0.445 0.309 1.00 12.41 H new ATOM 0 HG13 VAL A 5 2.620 1.508 -0.993 1.00 12.41 H new ATOM 0 HG21 VAL A 5 4.593 3.807 -0.388 1.00 24.11 H new ATOM 0 HG22 VAL A 5 2.859 4.073 -0.687 1.00 24.11 H new ATOM 0 HG23 VAL A 5 3.606 4.678 0.810 1.00 24.11 H new ATOM 95 N LEU A 6 0.661 0.485 1.518 1.00 54.50 N ATOM 96 CA LEU A 6 0.354 -0.884 1.965 1.00 31.35 C ATOM 97 C LEU A 6 0.883 -1.914 0.957 1.00 30.20 C ATOM 98 O LEU A 6 0.379 -2.016 -0.161 1.00 11.43 O ATOM 99 CB LEU A 6 -1.162 -1.072 2.141 1.00 55.13 C ATOM 100 CG LEU A 6 -1.787 -0.357 3.350 1.00 52.14 C ATOM 101 CD1 LEU A 6 -3.304 -0.558 3.369 1.00 72.22 C ATOM 102 CD2 LEU A 6 -1.162 -0.864 4.648 1.00 20.02 C ATOM 0 H LEU A 6 0.100 0.797 0.725 1.00 54.50 H new ATOM 0 HA LEU A 6 0.846 -1.039 2.925 1.00 31.35 H new ATOM 0 HB2 LEU A 6 -1.660 -0.721 1.237 1.00 55.13 H new ATOM 0 HB3 LEU A 6 -1.370 -2.139 2.226 1.00 55.13 H new ATOM 0 HG LEU A 6 -1.585 0.711 3.263 1.00 52.14 H new ATOM 0 HD11 LEU A 6 -3.728 -0.045 4.232 1.00 72.22 H new ATOM 0 HD12 LEU A 6 -3.737 -0.150 2.455 1.00 72.22 H new ATOM 0 HD13 LEU A 6 -3.529 -1.623 3.433 1.00 72.22 H new ATOM 0 HD21 LEU A 6 -1.614 -0.349 5.495 1.00 20.02 H new ATOM 0 HD22 LEU A 6 -1.335 -1.936 4.741 1.00 20.02 H new ATOM 0 HD23 LEU A 6 -0.090 -0.670 4.636 1.00 20.02 H new ATOM 114 N ILE A 7 1.897 -2.677 1.349 1.00 50.41 N ATOM 115 CA ILE A 7 2.505 -3.665 0.452 1.00 62.30 C ATOM 116 C ILE A 7 2.097 -5.104 0.818 1.00 32.22 C ATOM 117 O ILE A 7 2.212 -5.525 1.971 1.00 52.44 O ATOM 118 CB ILE A 7 4.052 -3.537 0.454 1.00 53.35 C ATOM 119 CG1 ILE A 7 4.686 -4.575 -0.487 1.00 53.13 C ATOM 120 CG2 ILE A 7 4.610 -3.676 1.871 1.00 42.33 C ATOM 121 CD1 ILE A 7 6.198 -4.509 -0.540 1.00 54.21 C ATOM 0 H ILE A 7 2.317 -2.634 2.277 1.00 50.41 H new ATOM 0 HA ILE A 7 2.131 -3.455 -0.550 1.00 62.30 H new ATOM 0 HB ILE A 7 4.309 -2.543 0.087 1.00 53.35 H new ATOM 0 HG12 ILE A 7 4.386 -5.573 -0.167 1.00 53.13 H new ATOM 0 HG13 ILE A 7 4.290 -4.430 -1.492 1.00 53.13 H new ATOM 0 HG21 ILE A 7 5.696 -3.583 1.845 1.00 42.33 H new ATOM 0 HG22 ILE A 7 4.193 -2.893 2.505 1.00 42.33 H new ATOM 0 HG23 ILE A 7 4.339 -4.652 2.275 1.00 42.33 H new ATOM 0 HD11 ILE A 7 6.572 -5.271 -1.224 1.00 54.21 H new ATOM 0 HD12 ILE A 7 6.507 -3.524 -0.890 1.00 54.21 H new ATOM 0 HD13 ILE A 7 6.605 -4.684 0.456 1.00 54.21 H new ATOM 133 N ILE A 8 1.605 -5.847 -0.175 1.00 35.12 N ATOM 134 CA ILE A 8 1.236 -7.258 0.002 1.00 31.44 C ATOM 135 C ILE A 8 2.062 -8.156 -0.936 1.00 4.40 C ATOM 136 O ILE A 8 1.804 -8.210 -2.143 1.00 14.25 O ATOM 137 CB ILE A 8 -0.274 -7.480 -0.284 1.00 50.15 C ATOM 138 CG1 ILE A 8 -1.125 -6.539 0.586 1.00 15.41 C ATOM 139 CG2 ILE A 8 -0.660 -8.943 -0.042 1.00 32.51 C ATOM 140 CD1 ILE A 8 -2.607 -6.595 0.284 1.00 61.42 C ATOM 0 H ILE A 8 1.451 -5.493 -1.119 1.00 35.12 H new ATOM 0 HA ILE A 8 1.445 -7.523 1.038 1.00 31.44 H new ATOM 0 HB ILE A 8 -0.467 -7.249 -1.332 1.00 50.15 H new ATOM 0 HG12 ILE A 8 -0.969 -6.790 1.635 1.00 15.41 H new ATOM 0 HG13 ILE A 8 -0.775 -5.516 0.447 1.00 15.41 H new ATOM 0 HG21 ILE A 8 -1.722 -9.078 -0.248 1.00 32.51 H new ATOM 0 HG22 ILE A 8 -0.078 -9.587 -0.701 1.00 32.51 H new ATOM 0 HG23 ILE A 8 -0.455 -9.206 0.996 1.00 32.51 H new ATOM 0 HD11 ILE A 8 -3.138 -5.904 0.938 1.00 61.42 H new ATOM 0 HD12 ILE A 8 -2.777 -6.314 -0.755 1.00 61.42 H new ATOM 0 HD13 ILE A 8 -2.974 -7.608 0.451 1.00 61.42 H new ATOM 152 N SER A 9 3.047 -8.868 -0.384 1.00 34.30 N ATOM 153 CA SER A 9 3.937 -9.706 -1.209 1.00 63.35 C ATOM 154 C SER A 9 4.562 -10.859 -0.413 1.00 0.14 C ATOM 155 O SER A 9 4.446 -10.931 0.812 1.00 65.33 O ATOM 156 CB SER A 9 5.055 -8.857 -1.832 1.00 64.43 C ATOM 157 OG SER A 9 5.876 -9.638 -2.692 1.00 72.54 O ATOM 0 H SER A 9 3.251 -8.886 0.615 1.00 34.30 H new ATOM 0 HA SER A 9 3.316 -10.137 -1.994 1.00 63.35 H new ATOM 0 HB2 SER A 9 4.618 -8.031 -2.393 1.00 64.43 H new ATOM 0 HB3 SER A 9 5.665 -8.418 -1.042 1.00 64.43 H new ATOM 0 HG SER A 9 6.578 -9.073 -3.076 1.00 72.54 H new ATOM 163 N ASN A 10 5.232 -11.760 -1.131 1.00 3.32 N ATOM 164 CA ASN A 10 5.901 -12.915 -0.517 1.00 51.13 C ATOM 165 C ASN A 10 7.433 -12.793 -0.619 1.00 30.32 C ATOM 166 O ASN A 10 8.160 -13.236 0.273 1.00 40.13 O ATOM 167 CB ASN A 10 5.420 -14.215 -1.180 1.00 64.40 C ATOM 168 CG ASN A 10 6.090 -15.452 -0.599 1.00 34.04 C ATOM 169 OD1 ASN A 10 5.666 -15.985 0.419 1.00 30.42 O ATOM 170 ND2 ASN A 10 7.130 -15.932 -1.254 1.00 35.13 N ATOM 0 H ASN A 10 5.328 -11.714 -2.145 1.00 3.32 H new ATOM 0 HA ASN A 10 5.640 -12.937 0.541 1.00 51.13 H new ATOM 0 HB2 ASN A 10 4.340 -14.301 -1.060 1.00 64.40 H new ATOM 0 HB3 ASN A 10 5.619 -14.168 -2.251 1.00 64.40 H new ATOM 0 HD21 ASN A 10 7.604 -16.769 -0.915 1.00 35.13 H new ATOM 0 HD22 ASN A 10 7.460 -15.466 -2.099 1.00 35.13 H new ATOM 177 N ASP A 11 7.917 -12.188 -1.703 1.00 3.12 N ATOM 178 CA ASP A 11 9.357 -12.006 -1.913 1.00 42.13 C ATOM 179 C ASP A 11 9.910 -10.822 -1.107 1.00 23.11 C ATOM 180 O ASP A 11 9.561 -9.664 -1.363 1.00 1.11 O ATOM 181 CB ASP A 11 9.664 -11.784 -3.402 1.00 44.21 C ATOM 182 CG ASP A 11 9.447 -13.027 -4.242 1.00 72.34 C ATOM 183 OD1 ASP A 11 8.303 -13.263 -4.679 1.00 35.20 O ATOM 184 OD2 ASP A 11 10.424 -13.773 -4.474 1.00 45.22 O ATOM 0 H ASP A 11 7.334 -11.814 -2.452 1.00 3.12 H new ATOM 0 HA ASP A 11 9.843 -12.918 -1.566 1.00 42.13 H new ATOM 0 HB2 ASP A 11 9.033 -10.981 -3.782 1.00 44.21 H new ATOM 0 HB3 ASP A 11 10.698 -11.455 -3.509 1.00 44.21 H new ATOM 189 N LYS A 12 10.793 -11.112 -0.150 1.00 41.22 N ATOM 190 CA LYS A 12 11.519 -10.064 0.579 1.00 30.34 C ATOM 191 C LYS A 12 12.265 -9.139 -0.394 1.00 65.13 C ATOM 192 O LYS A 12 12.543 -7.986 -0.082 1.00 22.14 O ATOM 193 CB LYS A 12 12.513 -10.695 1.565 1.00 14.21 C ATOM 194 CG LYS A 12 11.858 -11.359 2.773 1.00 24.31 C ATOM 195 CD LYS A 12 11.297 -10.332 3.755 1.00 52.43 C ATOM 196 CE LYS A 12 12.396 -9.448 4.339 1.00 3.31 C ATOM 197 NZ LYS A 12 13.421 -10.240 5.072 1.00 52.41 N ATOM 0 H LYS A 12 11.024 -12.062 0.140 1.00 41.22 H new ATOM 0 HA LYS A 12 10.793 -9.470 1.134 1.00 30.34 H new ATOM 0 HB2 LYS A 12 13.111 -11.437 1.036 1.00 14.21 H new ATOM 0 HB3 LYS A 12 13.199 -9.924 1.916 1.00 14.21 H new ATOM 0 HG2 LYS A 12 11.055 -12.015 2.436 1.00 24.31 H new ATOM 0 HG3 LYS A 12 12.589 -11.987 3.283 1.00 24.31 H new ATOM 0 HD2 LYS A 12 10.560 -9.709 3.248 1.00 52.43 H new ATOM 0 HD3 LYS A 12 10.777 -10.847 4.563 1.00 52.43 H new ATOM 0 HE2 LYS A 12 12.876 -8.889 3.536 1.00 3.31 H new ATOM 0 HE3 LYS A 12 11.952 -8.717 5.015 1.00 3.31 H new ATOM 0 HZ1 LYS A 12 14.019 -9.600 5.633 1.00 52.41 H new ATOM 0 HZ2 LYS A 12 12.949 -10.917 5.705 1.00 52.41 H new ATOM 0 HZ3 LYS A 12 14.012 -10.758 4.391 1.00 52.41 H new ATOM 211 N LYS A 13 12.554 -9.660 -1.584 1.00 2.02 N ATOM 212 CA LYS A 13 13.255 -8.910 -2.632 1.00 61.42 C ATOM 213 C LYS A 13 12.485 -7.624 -2.973 1.00 72.43 C ATOM 214 O LYS A 13 13.034 -6.522 -2.963 1.00 74.44 O ATOM 215 CB LYS A 13 13.397 -9.756 -3.916 1.00 32.52 C ATOM 216 CG LYS A 13 14.145 -11.089 -3.767 1.00 52.14 C ATOM 217 CD LYS A 13 13.368 -12.116 -2.936 1.00 60.43 C ATOM 218 CE LYS A 13 13.787 -13.546 -3.242 1.00 62.53 C ATOM 219 NZ LYS A 13 13.321 -13.984 -4.583 1.00 53.54 N ATOM 0 H LYS A 13 12.310 -10.613 -1.852 1.00 2.02 H new ATOM 0 HA LYS A 13 14.246 -8.661 -2.253 1.00 61.42 H new ATOM 0 HB2 LYS A 13 12.399 -9.964 -4.302 1.00 32.52 H new ATOM 0 HB3 LYS A 13 13.911 -9.156 -4.667 1.00 32.52 H new ATOM 0 HG2 LYS A 13 14.342 -11.503 -4.756 1.00 52.14 H new ATOM 0 HG3 LYS A 13 15.113 -10.907 -3.299 1.00 52.14 H new ATOM 0 HD2 LYS A 13 13.523 -11.914 -1.876 1.00 60.43 H new ATOM 0 HD3 LYS A 13 12.301 -12.004 -3.129 1.00 60.43 H new ATOM 0 HE2 LYS A 13 14.873 -13.625 -3.191 1.00 62.53 H new ATOM 0 HE3 LYS A 13 13.383 -14.214 -2.481 1.00 62.53 H new ATOM 0 HZ1 LYS A 13 13.522 -14.997 -4.706 1.00 53.54 H new ATOM 0 HZ2 LYS A 13 12.297 -13.821 -4.665 1.00 53.54 H new ATOM 0 HZ3 LYS A 13 13.818 -13.441 -5.318 1.00 53.54 H new ATOM 233 N LEU A 14 11.192 -7.793 -3.251 1.00 22.14 N ATOM 234 CA LEU A 14 10.312 -6.679 -3.609 1.00 64.45 C ATOM 235 C LEU A 14 10.054 -5.781 -2.390 1.00 23.25 C ATOM 236 O LEU A 14 10.031 -4.554 -2.500 1.00 23.12 O ATOM 237 CB LEU A 14 8.991 -7.241 -4.186 1.00 62.10 C ATOM 238 CG LEU A 14 8.015 -6.218 -4.819 1.00 72.11 C ATOM 239 CD1 LEU A 14 7.089 -6.911 -5.819 1.00 53.35 C ATOM 240 CD2 LEU A 14 7.183 -5.505 -3.754 1.00 24.23 C ATOM 0 H LEU A 14 10.727 -8.701 -3.235 1.00 22.14 H new ATOM 0 HA LEU A 14 10.793 -6.063 -4.369 1.00 64.45 H new ATOM 0 HB2 LEU A 14 9.240 -7.986 -4.942 1.00 62.10 H new ATOM 0 HB3 LEU A 14 8.465 -7.762 -3.386 1.00 62.10 H new ATOM 0 HG LEU A 14 8.615 -5.472 -5.340 1.00 72.11 H new ATOM 0 HD11 LEU A 14 6.410 -6.178 -6.254 1.00 53.35 H new ATOM 0 HD12 LEU A 14 7.684 -7.369 -6.609 1.00 53.35 H new ATOM 0 HD13 LEU A 14 6.512 -7.681 -5.307 1.00 53.35 H new ATOM 0 HD21 LEU A 14 6.509 -4.795 -4.234 1.00 24.23 H new ATOM 0 HD22 LEU A 14 6.600 -6.238 -3.196 1.00 24.23 H new ATOM 0 HD23 LEU A 14 7.845 -4.973 -3.071 1.00 24.23 H new ATOM 252 N ILE A 15 9.873 -6.405 -1.227 1.00 63.33 N ATOM 253 CA ILE A 15 9.609 -5.672 0.018 1.00 44.23 C ATOM 254 C ILE A 15 10.769 -4.727 0.391 1.00 23.14 C ATOM 255 O ILE A 15 10.547 -3.560 0.719 1.00 32.42 O ATOM 256 CB ILE A 15 9.345 -6.649 1.197 1.00 23.52 C ATOM 257 CG1 ILE A 15 8.166 -7.587 0.863 1.00 0.22 C ATOM 258 CG2 ILE A 15 9.072 -5.878 2.493 1.00 54.42 C ATOM 259 CD1 ILE A 15 7.888 -8.629 1.931 1.00 61.01 C ATOM 0 H ILE A 15 9.904 -7.419 -1.117 1.00 63.33 H new ATOM 0 HA ILE A 15 8.718 -5.070 -0.161 1.00 44.23 H new ATOM 0 HB ILE A 15 10.238 -7.255 1.347 1.00 23.52 H new ATOM 0 HG12 ILE A 15 7.269 -6.987 0.712 1.00 0.22 H new ATOM 0 HG13 ILE A 15 8.373 -8.093 -0.080 1.00 0.22 H new ATOM 0 HG21 ILE A 15 8.890 -6.583 3.304 1.00 54.42 H new ATOM 0 HG22 ILE A 15 9.935 -5.259 2.737 1.00 54.42 H new ATOM 0 HG23 ILE A 15 8.196 -5.243 2.361 1.00 54.42 H new ATOM 0 HD11 ILE A 15 7.046 -9.249 1.624 1.00 61.01 H new ATOM 0 HD12 ILE A 15 8.770 -9.255 2.067 1.00 61.01 H new ATOM 0 HD13 ILE A 15 7.648 -8.132 2.871 1.00 61.01 H new ATOM 271 N GLU A 16 12.002 -5.232 0.337 1.00 51.23 N ATOM 272 CA GLU A 16 13.182 -4.433 0.699 1.00 34.30 C ATOM 273 C GLU A 16 13.418 -3.280 -0.295 1.00 13.15 C ATOM 274 O GLU A 16 13.701 -2.152 0.113 1.00 44.53 O ATOM 275 CB GLU A 16 14.429 -5.327 0.793 1.00 54.12 C ATOM 276 CG GLU A 16 14.314 -6.429 1.844 1.00 14.11 C ATOM 277 CD GLU A 16 15.557 -7.300 1.932 1.00 74.51 C ATOM 278 OE1 GLU A 16 15.677 -8.267 1.148 1.00 13.33 O ATOM 279 OE2 GLU A 16 16.419 -7.030 2.797 1.00 41.24 O ATOM 0 H GLU A 16 12.213 -6.187 0.048 1.00 51.23 H new ATOM 0 HA GLU A 16 12.991 -3.990 1.676 1.00 34.30 H new ATOM 0 HB2 GLU A 16 14.613 -5.782 -0.180 1.00 54.12 H new ATOM 0 HB3 GLU A 16 15.295 -4.706 1.023 1.00 54.12 H new ATOM 0 HG2 GLU A 16 14.125 -5.976 2.817 1.00 14.11 H new ATOM 0 HG3 GLU A 16 13.453 -7.056 1.612 1.00 14.11 H new ATOM 286 N GLU A 17 13.294 -3.560 -1.596 1.00 61.21 N ATOM 287 CA GLU A 17 13.415 -2.510 -2.623 1.00 71.14 C ATOM 288 C GLU A 17 12.333 -1.434 -2.449 1.00 65.42 C ATOM 289 O GLU A 17 12.605 -0.236 -2.578 1.00 21.23 O ATOM 290 CB GLU A 17 13.333 -3.111 -4.036 1.00 23.24 C ATOM 291 CG GLU A 17 14.551 -3.942 -4.435 1.00 62.35 C ATOM 292 CD GLU A 17 15.855 -3.152 -4.398 1.00 75.23 C ATOM 293 OE1 GLU A 17 15.910 -2.044 -4.979 1.00 55.53 O ATOM 294 OE2 GLU A 17 16.836 -3.638 -3.798 1.00 64.25 O ATOM 0 H GLU A 17 13.112 -4.493 -1.965 1.00 61.21 H new ATOM 0 HA GLU A 17 14.391 -2.042 -2.497 1.00 71.14 H new ATOM 0 HB2 GLU A 17 12.443 -3.737 -4.101 1.00 23.24 H new ATOM 0 HB3 GLU A 17 13.207 -2.302 -4.756 1.00 23.24 H new ATOM 0 HG2 GLU A 17 14.633 -4.799 -3.766 1.00 62.35 H new ATOM 0 HG3 GLU A 17 14.401 -4.336 -5.440 1.00 62.35 H new ATOM 301 N ALA A 18 11.107 -1.871 -2.155 1.00 60.52 N ATOM 302 CA ALA A 18 10.001 -0.953 -1.873 1.00 11.22 C ATOM 303 C ALA A 18 10.310 -0.078 -0.649 1.00 62.23 C ATOM 304 O ALA A 18 10.063 1.129 -0.656 1.00 73.33 O ATOM 305 CB ALA A 18 8.709 -1.735 -1.659 1.00 70.34 C ATOM 0 H ALA A 18 10.854 -2.858 -2.106 1.00 60.52 H new ATOM 0 HA ALA A 18 9.875 -0.295 -2.733 1.00 11.22 H new ATOM 0 HB1 ALA A 18 7.894 -1.042 -1.450 1.00 70.34 H new ATOM 0 HB2 ALA A 18 8.477 -2.307 -2.557 1.00 70.34 H new ATOM 0 HB3 ALA A 18 8.831 -2.416 -0.816 1.00 70.34 H new ATOM 311 N ARG A 19 10.860 -0.695 0.398 1.00 70.54 N ATOM 312 CA ARG A 19 11.302 0.042 1.589 1.00 44.05 C ATOM 313 C ARG A 19 12.345 1.110 1.223 1.00 51.12 C ATOM 314 O ARG A 19 12.204 2.277 1.588 1.00 65.32 O ATOM 315 CB ARG A 19 11.891 -0.918 2.632 1.00 41.24 C ATOM 316 CG ARG A 19 10.866 -1.846 3.280 1.00 24.12 C ATOM 317 CD ARG A 19 11.515 -2.751 4.322 1.00 40.53 C ATOM 318 NE ARG A 19 12.227 -1.982 5.342 1.00 10.43 N ATOM 319 CZ ARG A 19 12.744 -2.494 6.426 1.00 61.12 C ATOM 320 NH1 ARG A 19 12.655 -3.765 6.671 1.00 1.32 N ATOM 321 NH2 ARG A 19 13.356 -1.735 7.269 1.00 24.24 N ATOM 0 H ARG A 19 11.011 -1.703 0.448 1.00 70.54 H new ATOM 0 HA ARG A 19 10.429 0.538 2.013 1.00 44.05 H new ATOM 0 HB2 ARG A 19 12.663 -1.523 2.157 1.00 41.24 H new ATOM 0 HB3 ARG A 19 12.379 -0.334 3.412 1.00 41.24 H new ATOM 0 HG2 ARG A 19 10.081 -1.253 3.749 1.00 24.12 H new ATOM 0 HG3 ARG A 19 10.389 -2.456 2.513 1.00 24.12 H new ATOM 0 HD2 ARG A 19 10.750 -3.364 4.798 1.00 40.53 H new ATOM 0 HD3 ARG A 19 12.209 -3.432 3.830 1.00 40.53 H new ATOM 0 HE ARG A 19 12.326 -0.977 5.197 1.00 10.43 H new ATOM 0 HH11 ARG A 19 12.176 -4.379 6.012 1.00 1.32 H new ATOM 0 HH12 ARG A 19 13.064 -4.150 7.522 1.00 1.32 H new ATOM 0 HH21 ARG A 19 13.436 -0.734 7.089 1.00 24.24 H new ATOM 0 HH22 ARG A 19 13.760 -2.135 8.116 1.00 24.24 H new ATOM 335 N LYS A 20 13.384 0.697 0.496 1.00 2.00 N ATOM 336 CA LYS A 20 14.426 1.618 0.022 1.00 24.34 C ATOM 337 C LYS A 20 13.815 2.852 -0.663 1.00 43.22 C ATOM 338 O LYS A 20 14.200 3.989 -0.383 1.00 24.23 O ATOM 339 CB LYS A 20 15.368 0.880 -0.944 1.00 64.41 C ATOM 340 CG LYS A 20 16.200 -0.210 -0.272 1.00 24.11 C ATOM 341 CD LYS A 20 16.912 -1.127 -1.275 1.00 14.10 C ATOM 342 CE LYS A 20 17.795 -0.366 -2.266 1.00 22.32 C ATOM 343 NZ LYS A 20 17.037 0.105 -3.460 1.00 13.03 N ATOM 0 H LYS A 20 13.529 -0.274 0.220 1.00 2.00 H new ATOM 0 HA LYS A 20 14.993 1.968 0.885 1.00 24.34 H new ATOM 0 HB2 LYS A 20 14.778 0.434 -1.744 1.00 64.41 H new ATOM 0 HB3 LYS A 20 16.039 1.603 -1.408 1.00 64.41 H new ATOM 0 HG2 LYS A 20 16.942 0.255 0.376 1.00 24.11 H new ATOM 0 HG3 LYS A 20 15.553 -0.812 0.366 1.00 24.11 H new ATOM 0 HD2 LYS A 20 17.525 -1.845 -0.730 1.00 14.10 H new ATOM 0 HD3 LYS A 20 16.166 -1.699 -1.827 1.00 14.10 H new ATOM 0 HE2 LYS A 20 18.245 0.491 -1.764 1.00 22.32 H new ATOM 0 HE3 LYS A 20 18.612 -1.011 -2.589 1.00 22.32 H new ATOM 0 HZ1 LYS A 20 17.698 0.287 -4.242 1.00 13.03 H new ATOM 0 HZ2 LYS A 20 16.353 -0.624 -3.747 1.00 13.03 H new ATOM 0 HZ3 LYS A 20 16.529 0.982 -3.225 1.00 13.03 H new ATOM 357 N MET A 21 12.851 2.619 -1.548 1.00 42.42 N ATOM 358 CA MET A 21 12.139 3.707 -2.224 1.00 42.33 C ATOM 359 C MET A 21 11.347 4.569 -1.234 1.00 0.21 C ATOM 360 O MET A 21 11.401 5.800 -1.283 1.00 1.33 O ATOM 361 CB MET A 21 11.198 3.139 -3.289 1.00 44.52 C ATOM 362 CG MET A 21 11.932 2.558 -4.482 1.00 2.23 C ATOM 363 SD MET A 21 13.038 3.759 -5.248 1.00 61.20 S ATOM 364 CE MET A 21 11.897 5.102 -5.582 1.00 72.22 C ATOM 0 H MET A 21 12.542 1.685 -1.817 1.00 42.42 H new ATOM 0 HA MET A 21 12.885 4.344 -2.699 1.00 42.33 H new ATOM 0 HB2 MET A 21 10.576 2.365 -2.840 1.00 44.52 H new ATOM 0 HB3 MET A 21 10.528 3.928 -3.631 1.00 44.52 H new ATOM 0 HG2 MET A 21 12.506 1.687 -4.165 1.00 2.23 H new ATOM 0 HG3 MET A 21 11.208 2.211 -5.219 1.00 2.23 H new ATOM 0 HE1 MET A 21 12.228 5.649 -6.465 1.00 72.22 H new ATOM 0 HE2 MET A 21 10.900 4.697 -5.758 1.00 72.22 H new ATOM 0 HE3 MET A 21 11.869 5.777 -4.726 1.00 72.22 H new ATOM 374 N ALA A 22 10.620 3.916 -0.334 1.00 41.23 N ATOM 375 CA ALA A 22 9.819 4.618 0.668 1.00 22.31 C ATOM 376 C ALA A 22 10.683 5.572 1.508 1.00 74.25 C ATOM 377 O ALA A 22 10.246 6.662 1.873 1.00 65.13 O ATOM 378 CB ALA A 22 9.100 3.615 1.565 1.00 50.11 C ATOM 0 H ALA A 22 10.567 2.899 -0.276 1.00 41.23 H new ATOM 0 HA ALA A 22 9.076 5.220 0.145 1.00 22.31 H new ATOM 0 HB1 ALA A 22 8.507 4.150 2.307 1.00 50.11 H new ATOM 0 HB2 ALA A 22 8.445 2.989 0.959 1.00 50.11 H new ATOM 0 HB3 ALA A 22 9.834 2.988 2.071 1.00 50.11 H new ATOM 384 N GLU A 23 11.914 5.158 1.802 1.00 34.54 N ATOM 385 CA GLU A 23 12.862 5.998 2.542 1.00 13.21 C ATOM 386 C GLU A 23 13.249 7.251 1.734 1.00 15.54 C ATOM 387 O GLU A 23 13.262 8.363 2.264 1.00 15.20 O ATOM 388 CB GLU A 23 14.121 5.195 2.910 1.00 30.23 C ATOM 389 CG GLU A 23 13.833 3.916 3.698 1.00 31.44 C ATOM 390 CD GLU A 23 13.088 4.173 5.000 1.00 54.05 C ATOM 391 OE1 GLU A 23 13.747 4.498 6.012 1.00 44.10 O ATOM 392 OE2 GLU A 23 11.841 4.052 5.022 1.00 44.12 O ATOM 0 H GLU A 23 12.282 4.244 1.539 1.00 34.54 H new ATOM 0 HA GLU A 23 12.370 6.324 3.458 1.00 13.21 H new ATOM 0 HB2 GLU A 23 14.654 4.934 1.995 1.00 30.23 H new ATOM 0 HB3 GLU A 23 14.786 5.829 3.496 1.00 30.23 H new ATOM 0 HG2 GLU A 23 13.246 3.239 3.078 1.00 31.44 H new ATOM 0 HG3 GLU A 23 14.774 3.412 3.918 1.00 31.44 H new ATOM 399 N LYS A 24 13.554 7.066 0.449 1.00 15.25 N ATOM 400 CA LYS A 24 13.893 8.189 -0.442 1.00 50.44 C ATOM 401 C LYS A 24 12.698 9.139 -0.634 1.00 31.15 C ATOM 402 O LYS A 24 12.876 10.339 -0.847 1.00 33.13 O ATOM 403 CB LYS A 24 14.379 7.667 -1.811 1.00 13.14 C ATOM 404 CG LYS A 24 15.864 7.294 -1.855 1.00 34.44 C ATOM 405 CD LYS A 24 16.237 6.255 -0.802 1.00 44.22 C ATOM 406 CE LYS A 24 17.723 5.916 -0.837 1.00 41.23 C ATOM 407 NZ LYS A 24 18.572 7.119 -0.647 1.00 15.24 N ATOM 0 H LYS A 24 13.575 6.152 -0.003 1.00 15.25 H new ATOM 0 HA LYS A 24 14.698 8.751 0.031 1.00 50.44 H new ATOM 0 HB2 LYS A 24 13.789 6.792 -2.083 1.00 13.14 H new ATOM 0 HB3 LYS A 24 14.186 8.429 -2.566 1.00 13.14 H new ATOM 0 HG2 LYS A 24 16.109 6.908 -2.844 1.00 34.44 H new ATOM 0 HG3 LYS A 24 16.465 8.191 -1.705 1.00 34.44 H new ATOM 0 HD2 LYS A 24 15.974 6.630 0.187 1.00 44.22 H new ATOM 0 HD3 LYS A 24 15.654 5.348 -0.965 1.00 44.22 H new ATOM 0 HE2 LYS A 24 17.947 5.187 -0.058 1.00 41.23 H new ATOM 0 HE3 LYS A 24 17.966 5.448 -1.791 1.00 41.23 H new ATOM 0 HZ1 LYS A 24 19.552 6.826 -0.457 1.00 15.24 H new ATOM 0 HZ2 LYS A 24 18.545 7.702 -1.508 1.00 15.24 H new ATOM 0 HZ3 LYS A 24 18.214 7.673 0.158 1.00 15.24 H new ATOM 421 N ALA A 25 11.486 8.591 -0.557 1.00 20.32 N ATOM 422 CA ALA A 25 10.260 9.386 -0.708 1.00 3.43 C ATOM 423 C ALA A 25 9.692 9.841 0.651 1.00 74.32 C ATOM 424 O ALA A 25 8.693 10.564 0.707 1.00 51.23 O ATOM 425 CB ALA A 25 9.221 8.577 -1.476 1.00 1.44 C ATOM 0 H ALA A 25 11.323 7.598 -0.391 1.00 20.32 H new ATOM 0 HA ALA A 25 10.510 10.288 -1.266 1.00 3.43 H new ATOM 0 HB1 ALA A 25 8.311 9.167 -1.588 1.00 1.44 H new ATOM 0 HB2 ALA A 25 9.613 8.323 -2.461 1.00 1.44 H new ATOM 0 HB3 ALA A 25 8.995 7.662 -0.929 1.00 1.44 H new ATOM 431 N ASN A 26 10.333 9.407 1.742 1.00 12.03 N ATOM 432 CA ASN A 26 9.898 9.737 3.113 1.00 2.32 C ATOM 433 C ASN A 26 8.478 9.202 3.401 1.00 3.32 C ATOM 434 O ASN A 26 7.751 9.731 4.245 1.00 51.24 O ATOM 435 CB ASN A 26 9.964 11.258 3.348 1.00 14.21 C ATOM 436 CG ASN A 26 9.812 11.646 4.814 1.00 34.34 C ATOM 437 OD1 ASN A 26 9.243 12.684 5.139 1.00 50.35 O ATOM 438 ND2 ASN A 26 10.346 10.836 5.713 1.00 24.42 N ATOM 0 H ASN A 26 11.166 8.819 1.705 1.00 12.03 H new ATOM 0 HA ASN A 26 10.581 9.247 3.806 1.00 2.32 H new ATOM 0 HB2 ASN A 26 10.916 11.636 2.976 1.00 14.21 H new ATOM 0 HB3 ASN A 26 9.180 11.743 2.767 1.00 14.21 H new ATOM 0 HD21 ASN A 26 10.291 11.068 6.705 1.00 24.42 H new ATOM 0 HD22 ASN A 26 10.813 9.980 5.414 1.00 24.42 H new ATOM 445 N LEU A 27 8.093 8.134 2.704 1.00 34.30 N ATOM 446 CA LEU A 27 6.779 7.509 2.897 1.00 71.41 C ATOM 447 C LEU A 27 6.863 6.353 3.907 1.00 54.04 C ATOM 448 O LEU A 27 7.777 5.527 3.847 1.00 61.23 O ATOM 449 CB LEU A 27 6.234 6.989 1.557 1.00 12.15 C ATOM 450 CG LEU A 27 6.159 8.026 0.420 1.00 53.41 C ATOM 451 CD1 LEU A 27 5.503 7.423 -0.821 1.00 51.24 C ATOM 452 CD2 LEU A 27 5.420 9.284 0.875 1.00 24.31 C ATOM 0 H LEU A 27 8.672 7.680 1.998 1.00 34.30 H new ATOM 0 HA LEU A 27 6.101 8.266 3.291 1.00 71.41 H new ATOM 0 HB2 LEU A 27 6.861 6.160 1.228 1.00 12.15 H new ATOM 0 HB3 LEU A 27 5.235 6.586 1.724 1.00 12.15 H new ATOM 0 HG LEU A 27 7.177 8.314 0.157 1.00 53.41 H new ATOM 0 HD11 LEU A 27 5.461 8.173 -1.611 1.00 51.24 H new ATOM 0 HD12 LEU A 27 6.087 6.569 -1.163 1.00 51.24 H new ATOM 0 HD13 LEU A 27 4.492 7.097 -0.576 1.00 51.24 H new ATOM 0 HD21 LEU A 27 5.381 10.000 0.054 1.00 24.31 H new ATOM 0 HD22 LEU A 27 4.406 9.021 1.176 1.00 24.31 H new ATOM 0 HD23 LEU A 27 5.945 9.729 1.720 1.00 24.31 H new ATOM 464 N GLU A 28 5.913 6.300 4.837 1.00 14.22 N ATOM 465 CA GLU A 28 5.878 5.230 5.839 1.00 61.34 C ATOM 466 C GLU A 28 5.235 3.955 5.263 1.00 65.12 C ATOM 467 O GLU A 28 4.020 3.885 5.055 1.00 35.22 O ATOM 468 CB GLU A 28 5.135 5.704 7.096 1.00 61.40 C ATOM 469 CG GLU A 28 5.195 4.719 8.261 1.00 43.44 C ATOM 470 CD GLU A 28 4.769 5.343 9.582 1.00 20.31 C ATOM 471 OE1 GLU A 28 5.635 5.919 10.280 1.00 42.22 O ATOM 472 OE2 GLU A 28 3.578 5.259 9.937 1.00 2.34 O ATOM 0 H GLU A 28 5.158 6.981 4.920 1.00 14.22 H new ATOM 0 HA GLU A 28 6.903 4.984 6.118 1.00 61.34 H new ATOM 0 HB2 GLU A 28 5.556 6.657 7.417 1.00 61.40 H new ATOM 0 HB3 GLU A 28 4.091 5.887 6.841 1.00 61.40 H new ATOM 0 HG2 GLU A 28 4.552 3.866 8.043 1.00 43.44 H new ATOM 0 HG3 GLU A 28 6.211 4.337 8.356 1.00 43.44 H new ATOM 479 N LEU A 29 6.072 2.954 4.994 1.00 22.53 N ATOM 480 CA LEU A 29 5.626 1.697 4.388 1.00 61.31 C ATOM 481 C LEU A 29 5.100 0.710 5.444 1.00 53.54 C ATOM 482 O LEU A 29 5.743 0.466 6.470 1.00 62.14 O ATOM 483 CB LEU A 29 6.786 1.084 3.577 1.00 11.11 C ATOM 484 CG LEU A 29 6.485 -0.236 2.830 1.00 32.13 C ATOM 485 CD1 LEU A 29 7.358 -0.360 1.584 1.00 34.13 C ATOM 486 CD2 LEU A 29 6.706 -1.449 3.739 1.00 43.12 C ATOM 0 H LEU A 29 7.073 2.989 5.188 1.00 22.53 H new ATOM 0 HA LEU A 29 4.793 1.908 3.718 1.00 61.31 H new ATOM 0 HB2 LEU A 29 7.118 1.821 2.846 1.00 11.11 H new ATOM 0 HB3 LEU A 29 7.621 0.909 4.255 1.00 11.11 H new ATOM 0 HG LEU A 29 5.437 -0.214 2.531 1.00 32.13 H new ATOM 0 HD11 LEU A 29 7.131 -1.295 1.072 1.00 34.13 H new ATOM 0 HD12 LEU A 29 7.158 0.477 0.915 1.00 34.13 H new ATOM 0 HD13 LEU A 29 8.409 -0.350 1.874 1.00 34.13 H new ATOM 0 HD21 LEU A 29 6.487 -2.363 3.186 1.00 43.12 H new ATOM 0 HD22 LEU A 29 7.743 -1.468 4.075 1.00 43.12 H new ATOM 0 HD23 LEU A 29 6.046 -1.381 4.604 1.00 43.12 H new ATOM 498 N ARG A 30 3.919 0.153 5.186 1.00 23.23 N ATOM 499 CA ARG A 30 3.301 -0.843 6.068 1.00 51.23 C ATOM 500 C ARG A 30 3.160 -2.194 5.343 1.00 41.32 C ATOM 501 O ARG A 30 2.633 -2.260 4.230 1.00 50.54 O ATOM 502 CB ARG A 30 1.922 -0.348 6.533 1.00 51.22 C ATOM 503 CG ARG A 30 1.938 0.956 7.339 1.00 44.51 C ATOM 504 CD ARG A 30 2.557 0.780 8.729 1.00 33.33 C ATOM 505 NE ARG A 30 3.992 0.511 8.676 1.00 55.22 N ATOM 506 CZ ARG A 30 4.711 0.139 9.700 1.00 72.01 C ATOM 507 NH1 ARG A 30 4.169 -0.029 10.862 1.00 43.35 N ATOM 508 NH2 ARG A 30 5.978 -0.066 9.551 1.00 44.05 N ATOM 0 H ARG A 30 3.361 0.377 4.362 1.00 23.23 H new ATOM 0 HA ARG A 30 3.942 -0.983 6.938 1.00 51.23 H new ATOM 0 HB2 ARG A 30 1.289 -0.208 5.657 1.00 51.22 H new ATOM 0 HB3 ARG A 30 1.459 -1.126 7.140 1.00 51.22 H new ATOM 0 HG2 ARG A 30 2.498 1.712 6.789 1.00 44.51 H new ATOM 0 HG3 ARG A 30 0.918 1.327 7.443 1.00 44.51 H new ATOM 0 HD2 ARG A 30 2.382 1.681 9.317 1.00 33.33 H new ATOM 0 HD3 ARG A 30 2.056 -0.040 9.244 1.00 33.33 H new ATOM 0 HE ARG A 30 4.464 0.621 7.778 1.00 55.22 H new ATOM 0 HH11 ARG A 30 3.169 0.129 10.986 1.00 43.35 H new ATOM 0 HH12 ARG A 30 4.741 -0.320 11.655 1.00 43.35 H new ATOM 0 HH21 ARG A 30 6.411 0.063 8.637 1.00 44.05 H new ATOM 0 HH22 ARG A 30 6.545 -0.357 10.348 1.00 44.05 H new ATOM 522 N THR A 31 3.634 -3.265 5.975 1.00 34.42 N ATOM 523 CA THR A 31 3.606 -4.605 5.365 1.00 4.23 C ATOM 524 C THR A 31 2.349 -5.397 5.755 1.00 64.54 C ATOM 525 O THR A 31 2.167 -5.768 6.914 1.00 24.42 O ATOM 526 CB THR A 31 4.854 -5.432 5.766 1.00 54.34 C ATOM 527 OG1 THR A 31 4.972 -5.485 7.196 1.00 53.21 O ATOM 528 CG2 THR A 31 6.129 -4.840 5.170 1.00 72.01 C ATOM 0 H THR A 31 4.043 -3.238 6.909 1.00 34.42 H new ATOM 0 HA THR A 31 3.599 -4.443 4.287 1.00 4.23 H new ATOM 0 HB THR A 31 4.726 -6.440 5.371 1.00 54.34 H new ATOM 0 HG1 THR A 31 4.109 -5.738 7.586 1.00 53.21 H new ATOM 0 HG21 THR A 31 6.985 -5.444 5.470 1.00 72.01 H new ATOM 0 HG22 THR A 31 6.053 -4.833 4.083 1.00 72.01 H new ATOM 0 HG23 THR A 31 6.260 -3.820 5.531 1.00 72.01 H new ATOM 536 N VAL A 32 1.495 -5.672 4.771 1.00 70.51 N ATOM 537 CA VAL A 32 0.292 -6.482 4.986 1.00 44.41 C ATOM 538 C VAL A 32 0.546 -7.952 4.623 1.00 42.45 C ATOM 539 O VAL A 32 1.262 -8.256 3.667 1.00 3.31 O ATOM 540 CB VAL A 32 -0.905 -5.947 4.161 1.00 13.11 C ATOM 541 CG1 VAL A 32 -2.112 -6.875 4.284 1.00 72.53 C ATOM 542 CG2 VAL A 32 -1.273 -4.533 4.601 1.00 73.41 C ATOM 0 H VAL A 32 1.613 -5.345 3.812 1.00 70.51 H new ATOM 0 HA VAL A 32 0.045 -6.413 6.045 1.00 44.41 H new ATOM 0 HB VAL A 32 -0.605 -5.917 3.114 1.00 13.11 H new ATOM 0 HG11 VAL A 32 -2.939 -6.477 3.696 1.00 72.53 H new ATOM 0 HG12 VAL A 32 -1.848 -7.866 3.915 1.00 72.53 H new ATOM 0 HG13 VAL A 32 -2.412 -6.945 5.330 1.00 72.53 H new ATOM 0 HG21 VAL A 32 -2.116 -4.176 4.009 1.00 73.41 H new ATOM 0 HG22 VAL A 32 -1.547 -4.540 5.656 1.00 73.41 H new ATOM 0 HG23 VAL A 32 -0.419 -3.872 4.452 1.00 73.41 H new ATOM 552 N LYS A 33 -0.038 -8.861 5.398 1.00 10.33 N ATOM 553 CA LYS A 33 0.153 -10.301 5.194 1.00 72.52 C ATOM 554 C LYS A 33 -1.160 -10.970 4.758 1.00 40.31 C ATOM 555 O LYS A 33 -1.272 -11.495 3.649 1.00 12.23 O ATOM 556 CB LYS A 33 0.662 -10.933 6.496 1.00 5.34 C ATOM 557 CG LYS A 33 1.845 -10.187 7.115 1.00 24.23 C ATOM 558 CD LYS A 33 3.166 -10.486 6.410 1.00 62.52 C ATOM 559 CE LYS A 33 4.315 -9.667 7.000 1.00 53.40 C ATOM 560 NZ LYS A 33 4.430 -9.840 8.475 1.00 1.11 N ATOM 0 H LYS A 33 -0.652 -8.628 6.179 1.00 10.33 H new ATOM 0 HA LYS A 33 0.887 -10.452 4.402 1.00 72.52 H new ATOM 0 HB2 LYS A 33 -0.154 -10.966 7.218 1.00 5.34 H new ATOM 0 HB3 LYS A 33 0.956 -11.964 6.299 1.00 5.34 H new ATOM 0 HG2 LYS A 33 1.653 -9.115 7.077 1.00 24.23 H new ATOM 0 HG3 LYS A 33 1.930 -10.459 8.167 1.00 24.23 H new ATOM 0 HD2 LYS A 33 3.393 -11.548 6.497 1.00 62.52 H new ATOM 0 HD3 LYS A 33 3.070 -10.266 5.347 1.00 62.52 H new ATOM 0 HE2 LYS A 33 5.251 -9.964 6.527 1.00 53.40 H new ATOM 0 HE3 LYS A 33 4.163 -8.612 6.770 1.00 53.40 H new ATOM 0 HZ1 LYS A 33 5.324 -9.422 8.805 1.00 1.11 H new ATOM 0 HZ2 LYS A 33 3.632 -9.365 8.943 1.00 1.11 H new ATOM 0 HZ3 LYS A 33 4.415 -10.853 8.708 1.00 1.11 H new ATOM 574 N THR A 34 -2.153 -10.936 5.644 1.00 51.54 N ATOM 575 CA THR A 34 -3.468 -11.543 5.381 1.00 54.40 C ATOM 576 C THR A 34 -4.535 -10.478 5.093 1.00 43.25 C ATOM 577 O THR A 34 -4.278 -9.276 5.206 1.00 73.32 O ATOM 578 CB THR A 34 -3.953 -12.375 6.592 1.00 51.54 C ATOM 579 OG1 THR A 34 -4.162 -11.510 7.724 1.00 12.52 O ATOM 580 CG2 THR A 34 -2.943 -13.459 6.956 1.00 23.01 C ATOM 0 H THR A 34 -2.076 -10.492 6.559 1.00 51.54 H new ATOM 0 HA THR A 34 -3.338 -12.184 4.509 1.00 54.40 H new ATOM 0 HB THR A 34 -4.891 -12.858 6.319 1.00 51.54 H new ATOM 0 HG1 THR A 34 -4.471 -12.040 8.488 1.00 12.52 H new ATOM 0 HG21 THR A 34 -3.311 -14.027 7.810 1.00 23.01 H new ATOM 0 HG22 THR A 34 -2.806 -14.128 6.107 1.00 23.01 H new ATOM 0 HG23 THR A 34 -1.989 -12.997 7.211 1.00 23.01 H new ATOM 588 N GLU A 35 -5.736 -10.929 4.730 1.00 31.50 N ATOM 589 CA GLU A 35 -6.885 -10.032 4.565 1.00 62.22 C ATOM 590 C GLU A 35 -7.185 -9.303 5.884 1.00 14.23 C ATOM 591 O GLU A 35 -7.469 -8.101 5.906 1.00 44.33 O ATOM 592 CB GLU A 35 -8.117 -10.830 4.118 1.00 45.22 C ATOM 593 CG GLU A 35 -9.344 -9.971 3.834 1.00 74.32 C ATOM 594 CD GLU A 35 -10.584 -10.802 3.544 1.00 71.14 C ATOM 595 OE1 GLU A 35 -10.497 -11.739 2.722 1.00 53.14 O ATOM 596 OE2 GLU A 35 -11.650 -10.516 4.125 1.00 42.43 O ATOM 0 H GLU A 35 -5.941 -11.911 4.544 1.00 31.50 H new ATOM 0 HA GLU A 35 -6.643 -9.293 3.801 1.00 62.22 H new ATOM 0 HB2 GLU A 35 -7.865 -11.394 3.220 1.00 45.22 H new ATOM 0 HB3 GLU A 35 -8.366 -11.557 4.891 1.00 45.22 H new ATOM 0 HG2 GLU A 35 -9.536 -9.324 4.690 1.00 74.32 H new ATOM 0 HG3 GLU A 35 -9.139 -9.321 2.983 1.00 74.32 H new ATOM 603 N ASP A 36 -7.107 -10.052 6.987 1.00 62.32 N ATOM 604 CA ASP A 36 -7.285 -9.492 8.327 1.00 0.43 C ATOM 605 C ASP A 36 -6.285 -8.356 8.591 1.00 75.11 C ATOM 606 O ASP A 36 -6.648 -7.320 9.144 1.00 4.20 O ATOM 607 CB ASP A 36 -7.124 -10.593 9.381 1.00 51.13 C ATOM 608 CG ASP A 36 -7.499 -10.115 10.774 1.00 1.15 C ATOM 609 OD1 ASP A 36 -8.703 -10.148 11.111 1.00 23.11 O ATOM 610 OD2 ASP A 36 -6.600 -9.710 11.538 1.00 5.25 O ATOM 0 H ASP A 36 -6.920 -11.055 6.976 1.00 62.32 H new ATOM 0 HA ASP A 36 -8.291 -9.077 8.392 1.00 0.43 H new ATOM 0 HB2 ASP A 36 -7.748 -11.445 9.111 1.00 51.13 H new ATOM 0 HB3 ASP A 36 -6.091 -10.942 9.384 1.00 51.13 H new ATOM 615 N GLU A 37 -5.028 -8.555 8.188 1.00 72.15 N ATOM 616 CA GLU A 37 -4.002 -7.513 8.318 1.00 75.23 C ATOM 617 C GLU A 37 -4.375 -6.249 7.526 1.00 60.02 C ATOM 618 O GLU A 37 -4.244 -5.136 8.030 1.00 44.21 O ATOM 619 CB GLU A 37 -2.632 -8.034 7.859 1.00 50.53 C ATOM 620 CG GLU A 37 -1.977 -9.023 8.822 1.00 54.32 C ATOM 621 CD GLU A 37 -1.638 -8.411 10.180 1.00 44.40 C ATOM 622 OE1 GLU A 37 -1.151 -7.259 10.224 1.00 31.13 O ATOM 623 OE2 GLU A 37 -1.846 -9.087 11.212 1.00 11.15 O ATOM 0 H GLU A 37 -4.695 -9.424 7.770 1.00 72.15 H new ATOM 0 HA GLU A 37 -3.944 -7.248 9.374 1.00 75.23 H new ATOM 0 HB2 GLU A 37 -2.747 -8.514 6.887 1.00 50.53 H new ATOM 0 HB3 GLU A 37 -1.963 -7.185 7.718 1.00 50.53 H new ATOM 0 HG2 GLU A 37 -2.645 -9.871 8.970 1.00 54.32 H new ATOM 0 HG3 GLU A 37 -1.065 -9.411 8.368 1.00 54.32 H new ATOM 630 N LEU A 38 -4.839 -6.426 6.286 1.00 63.24 N ATOM 631 CA LEU A 38 -5.279 -5.298 5.451 1.00 74.14 C ATOM 632 C LEU A 38 -6.327 -4.457 6.207 1.00 51.03 C ATOM 633 O LEU A 38 -6.164 -3.249 6.384 1.00 50.33 O ATOM 634 CB LEU A 38 -5.847 -5.837 4.117 1.00 21.15 C ATOM 635 CG LEU A 38 -5.924 -4.842 2.935 1.00 14.11 C ATOM 636 CD1 LEU A 38 -6.989 -3.773 3.162 1.00 11.21 C ATOM 637 CD2 LEU A 38 -4.563 -4.199 2.680 1.00 62.42 C ATOM 0 H LEU A 38 -4.921 -7.338 5.836 1.00 63.24 H new ATOM 0 HA LEU A 38 -4.430 -4.651 5.229 1.00 74.14 H new ATOM 0 HB2 LEU A 38 -5.237 -6.685 3.807 1.00 21.15 H new ATOM 0 HB3 LEU A 38 -6.851 -6.218 4.305 1.00 21.15 H new ATOM 0 HG LEU A 38 -6.213 -5.410 2.050 1.00 14.11 H new ATOM 0 HD11 LEU A 38 -7.011 -3.094 2.309 1.00 11.21 H new ATOM 0 HD12 LEU A 38 -7.964 -4.248 3.273 1.00 11.21 H new ATOM 0 HD13 LEU A 38 -6.754 -3.212 4.066 1.00 11.21 H new ATOM 0 HD21 LEU A 38 -4.640 -3.503 1.845 1.00 62.42 H new ATOM 0 HD22 LEU A 38 -4.242 -3.661 3.572 1.00 62.42 H new ATOM 0 HD23 LEU A 38 -3.834 -4.973 2.441 1.00 62.42 H new ATOM 649 N LYS A 39 -7.380 -5.123 6.681 1.00 44.14 N ATOM 650 CA LYS A 39 -8.408 -4.494 7.526 1.00 4.41 C ATOM 651 C LYS A 39 -7.786 -3.847 8.782 1.00 32.21 C ATOM 652 O LYS A 39 -8.086 -2.701 9.131 1.00 42.14 O ATOM 653 CB LYS A 39 -9.427 -5.564 7.947 1.00 13.55 C ATOM 654 CG LYS A 39 -10.445 -5.099 8.988 1.00 73.11 C ATOM 655 CD LYS A 39 -11.134 -6.282 9.666 1.00 25.43 C ATOM 656 CE LYS A 39 -10.124 -7.187 10.373 1.00 34.35 C ATOM 657 NZ LYS A 39 -10.776 -8.322 11.073 1.00 71.23 N ATOM 0 H LYS A 39 -7.549 -6.111 6.493 1.00 44.14 H new ATOM 0 HA LYS A 39 -8.897 -3.707 6.952 1.00 4.41 H new ATOM 0 HB2 LYS A 39 -9.963 -5.905 7.061 1.00 13.55 H new ATOM 0 HB3 LYS A 39 -8.888 -6.424 8.344 1.00 13.55 H new ATOM 0 HG2 LYS A 39 -9.945 -4.488 9.740 1.00 73.11 H new ATOM 0 HG3 LYS A 39 -11.193 -4.467 8.510 1.00 73.11 H new ATOM 0 HD2 LYS A 39 -11.863 -5.915 10.388 1.00 25.43 H new ATOM 0 HD3 LYS A 39 -11.684 -6.859 8.923 1.00 25.43 H new ATOM 0 HE2 LYS A 39 -9.413 -7.574 9.643 1.00 34.35 H new ATOM 0 HE3 LYS A 39 -9.554 -6.599 11.092 1.00 34.35 H new ATOM 0 HZ1 LYS A 39 -10.067 -9.052 11.286 1.00 71.23 H new ATOM 0 HZ2 LYS A 39 -11.203 -7.984 11.959 1.00 71.23 H new ATOM 0 HZ3 LYS A 39 -11.516 -8.726 10.464 1.00 71.23 H new ATOM 671 N LYS A 40 -6.918 -4.606 9.442 1.00 12.51 N ATOM 672 CA LYS A 40 -6.229 -4.176 10.665 1.00 53.41 C ATOM 673 C LYS A 40 -5.494 -2.835 10.480 1.00 53.04 C ATOM 674 O LYS A 40 -5.576 -1.951 11.338 1.00 64.01 O ATOM 675 CB LYS A 40 -5.259 -5.292 11.094 1.00 51.24 C ATOM 676 CG LYS A 40 -4.175 -4.881 12.087 1.00 42.14 C ATOM 677 CD LYS A 40 -3.390 -6.100 12.576 1.00 15.44 C ATOM 678 CE LYS A 40 -2.092 -5.713 13.267 1.00 72.25 C ATOM 679 NZ LYS A 40 -1.099 -5.156 12.311 1.00 45.24 N ATOM 0 H LYS A 40 -6.667 -5.548 9.144 1.00 12.51 H new ATOM 0 HA LYS A 40 -6.969 -4.005 11.447 1.00 53.41 H new ATOM 0 HB2 LYS A 40 -5.839 -6.104 11.533 1.00 51.24 H new ATOM 0 HB3 LYS A 40 -4.776 -5.691 10.202 1.00 51.24 H new ATOM 0 HG2 LYS A 40 -3.495 -4.171 11.616 1.00 42.14 H new ATOM 0 HG3 LYS A 40 -4.629 -4.371 12.937 1.00 42.14 H new ATOM 0 HD2 LYS A 40 -4.008 -6.675 13.266 1.00 15.44 H new ATOM 0 HD3 LYS A 40 -3.168 -6.750 11.729 1.00 15.44 H new ATOM 0 HE2 LYS A 40 -2.300 -4.977 14.044 1.00 72.25 H new ATOM 0 HE3 LYS A 40 -1.669 -6.588 13.761 1.00 72.25 H new ATOM 0 HZ1 LYS A 40 -0.169 -5.095 12.773 1.00 45.24 H new ATOM 0 HZ2 LYS A 40 -1.032 -5.776 11.479 1.00 45.24 H new ATOM 0 HZ3 LYS A 40 -1.400 -4.207 12.012 1.00 45.24 H new ATOM 693 N TYR A 41 -4.786 -2.685 9.362 1.00 65.03 N ATOM 694 CA TYR A 41 -4.096 -1.427 9.054 1.00 43.41 C ATOM 695 C TYR A 41 -5.087 -0.316 8.670 1.00 50.50 C ATOM 696 O TYR A 41 -4.875 0.852 8.997 1.00 72.51 O ATOM 697 CB TYR A 41 -3.062 -1.631 7.935 1.00 72.42 C ATOM 698 CG TYR A 41 -1.792 -2.318 8.403 1.00 2.14 C ATOM 699 CD1 TYR A 41 -0.753 -1.582 8.959 1.00 11.04 C ATOM 700 CD2 TYR A 41 -1.632 -3.695 8.293 1.00 64.14 C ATOM 701 CE1 TYR A 41 0.404 -2.197 9.395 1.00 2.51 C ATOM 702 CE2 TYR A 41 -0.477 -4.317 8.726 1.00 73.24 C ATOM 703 CZ TYR A 41 0.538 -3.563 9.275 1.00 32.22 C ATOM 704 OH TYR A 41 1.687 -4.179 9.717 1.00 71.55 O ATOM 0 H TYR A 41 -4.673 -3.413 8.656 1.00 65.03 H new ATOM 0 HA TYR A 41 -3.575 -1.112 9.958 1.00 43.41 H new ATOM 0 HB2 TYR A 41 -3.513 -2.222 7.138 1.00 72.42 H new ATOM 0 HB3 TYR A 41 -2.805 -0.662 7.507 1.00 72.42 H new ATOM 0 HD1 TYR A 41 -0.852 -0.511 9.052 1.00 11.04 H new ATOM 0 HD2 TYR A 41 -2.424 -4.288 7.862 1.00 64.14 H new ATOM 0 HE1 TYR A 41 1.200 -1.610 9.828 1.00 2.51 H new ATOM 0 HE2 TYR A 41 -0.370 -5.388 8.635 1.00 73.24 H new ATOM 0 HH TYR A 41 2.019 -4.787 9.024 1.00 71.55 H new ATOM 714 N LEU A 42 -6.177 -0.680 7.992 1.00 23.21 N ATOM 715 CA LEU A 42 -7.191 0.304 7.590 1.00 51.24 C ATOM 716 C LEU A 42 -7.752 1.072 8.799 1.00 74.42 C ATOM 717 O LEU A 42 -7.820 2.300 8.777 1.00 74.12 O ATOM 718 CB LEU A 42 -8.334 -0.364 6.812 1.00 33.10 C ATOM 719 CG LEU A 42 -7.959 -0.909 5.424 1.00 42.24 C ATOM 720 CD1 LEU A 42 -9.175 -1.528 4.745 1.00 11.43 C ATOM 721 CD2 LEU A 42 -7.350 0.187 4.550 1.00 31.41 C ATOM 0 H LEU A 42 -6.382 -1.639 7.711 1.00 23.21 H new ATOM 0 HA LEU A 42 -6.695 1.021 6.935 1.00 51.24 H new ATOM 0 HB2 LEU A 42 -8.727 -1.185 7.412 1.00 33.10 H new ATOM 0 HB3 LEU A 42 -9.141 0.359 6.693 1.00 33.10 H new ATOM 0 HG LEU A 42 -7.207 -1.687 5.558 1.00 42.24 H new ATOM 0 HD11 LEU A 42 -8.890 -1.908 3.764 1.00 11.43 H new ATOM 0 HD12 LEU A 42 -9.555 -2.347 5.355 1.00 11.43 H new ATOM 0 HD13 LEU A 42 -9.951 -0.772 4.629 1.00 11.43 H new ATOM 0 HD21 LEU A 42 -7.094 -0.226 3.574 1.00 31.41 H new ATOM 0 HD22 LEU A 42 -8.071 0.995 4.424 1.00 31.41 H new ATOM 0 HD23 LEU A 42 -6.450 0.575 5.027 1.00 31.41 H new ATOM 733 N GLU A 43 -8.139 0.358 9.860 1.00 15.14 N ATOM 734 CA GLU A 43 -8.629 1.020 11.082 1.00 45.23 C ATOM 735 C GLU A 43 -7.571 1.971 11.657 1.00 23.53 C ATOM 736 O GLU A 43 -7.893 3.049 12.157 1.00 25.20 O ATOM 737 CB GLU A 43 -9.043 -0.003 12.152 1.00 62.24 C ATOM 738 CG GLU A 43 -10.180 -0.924 11.719 1.00 63.43 C ATOM 739 CD GLU A 43 -10.879 -1.599 12.891 1.00 64.54 C ATOM 740 OE1 GLU A 43 -10.281 -2.492 13.518 1.00 10.52 O ATOM 741 OE2 GLU A 43 -12.039 -1.240 13.183 1.00 23.13 O ATOM 0 H GLU A 43 -8.125 -0.661 9.903 1.00 15.14 H new ATOM 0 HA GLU A 43 -9.509 1.598 10.800 1.00 45.23 H new ATOM 0 HB2 GLU A 43 -8.177 -0.610 12.415 1.00 62.24 H new ATOM 0 HB3 GLU A 43 -9.344 0.530 13.054 1.00 62.24 H new ATOM 0 HG2 GLU A 43 -10.910 -0.348 11.151 1.00 63.43 H new ATOM 0 HG3 GLU A 43 -9.786 -1.688 11.049 1.00 63.43 H new ATOM 748 N GLU A 44 -6.311 1.564 11.559 1.00 33.11 N ATOM 749 CA GLU A 44 -5.184 2.382 12.015 1.00 62.31 C ATOM 750 C GLU A 44 -5.086 3.691 11.202 1.00 63.44 C ATOM 751 O GLU A 44 -4.738 4.746 11.736 1.00 22.24 O ATOM 752 CB GLU A 44 -3.887 1.561 11.898 1.00 43.35 C ATOM 753 CG GLU A 44 -2.660 2.207 12.532 1.00 12.23 C ATOM 754 CD GLU A 44 -1.442 1.288 12.512 1.00 63.34 C ATOM 755 OE1 GLU A 44 -1.465 0.249 13.216 1.00 60.03 O ATOM 756 OE2 GLU A 44 -0.464 1.591 11.797 1.00 70.45 O ATOM 0 H GLU A 44 -6.038 0.664 11.164 1.00 33.11 H new ATOM 0 HA GLU A 44 -5.340 2.660 13.057 1.00 62.31 H new ATOM 0 HB2 GLU A 44 -4.047 0.587 12.361 1.00 43.35 H new ATOM 0 HB3 GLU A 44 -3.681 1.382 10.843 1.00 43.35 H new ATOM 0 HG2 GLU A 44 -2.424 3.130 12.002 1.00 12.23 H new ATOM 0 HG3 GLU A 44 -2.888 2.481 13.562 1.00 12.23 H new ATOM 763 N PHE A 45 -5.423 3.614 9.913 1.00 15.02 N ATOM 764 CA PHE A 45 -5.412 4.792 9.033 1.00 41.50 C ATOM 765 C PHE A 45 -6.687 5.644 9.188 1.00 21.53 C ATOM 766 O PHE A 45 -6.645 6.864 9.011 1.00 43.41 O ATOM 767 CB PHE A 45 -5.251 4.367 7.569 1.00 71.23 C ATOM 768 CG PHE A 45 -4.000 3.566 7.303 1.00 34.44 C ATOM 769 CD1 PHE A 45 -2.798 3.900 7.915 1.00 51.13 C ATOM 770 CD2 PHE A 45 -4.028 2.479 6.445 1.00 34.11 C ATOM 771 CE1 PHE A 45 -1.654 3.167 7.673 1.00 42.34 C ATOM 772 CE2 PHE A 45 -2.886 1.744 6.201 1.00 15.33 C ATOM 773 CZ PHE A 45 -1.698 2.087 6.815 1.00 51.45 C ATOM 0 H PHE A 45 -5.707 2.750 9.452 1.00 15.02 H new ATOM 0 HA PHE A 45 -4.561 5.405 9.331 1.00 41.50 H new ATOM 0 HB2 PHE A 45 -6.119 3.777 7.274 1.00 71.23 H new ATOM 0 HB3 PHE A 45 -5.242 5.257 6.940 1.00 71.23 H new ATOM 0 HD1 PHE A 45 -2.759 4.744 8.588 1.00 51.13 H new ATOM 0 HD2 PHE A 45 -4.954 2.204 5.962 1.00 34.11 H new ATOM 0 HE1 PHE A 45 -0.726 3.438 8.154 1.00 42.34 H new ATOM 0 HE2 PHE A 45 -2.922 0.899 5.529 1.00 15.33 H new ATOM 0 HZ PHE A 45 -0.805 1.511 6.624 1.00 51.45 H new ATOM 783 N ARG A 46 -7.814 4.999 9.521 1.00 71.43 N ATOM 784 CA ARG A 46 -9.098 5.706 9.713 1.00 63.12 C ATOM 785 C ARG A 46 -8.959 6.882 10.694 1.00 21.43 C ATOM 786 O ARG A 46 -9.697 7.866 10.606 1.00 33.11 O ATOM 787 CB ARG A 46 -10.187 4.738 10.210 1.00 30.31 C ATOM 788 CG ARG A 46 -10.622 3.708 9.172 1.00 25.32 C ATOM 789 CD ARG A 46 -11.673 2.750 9.726 1.00 42.33 C ATOM 790 NE ARG A 46 -12.886 3.441 10.157 1.00 13.14 N ATOM 791 CZ ARG A 46 -13.840 2.887 10.858 1.00 64.22 C ATOM 792 NH1 ARG A 46 -13.759 1.647 11.232 1.00 62.44 N ATOM 793 NH2 ARG A 46 -14.876 3.579 11.186 1.00 23.41 N ATOM 0 H ARG A 46 -7.867 3.990 9.664 1.00 71.43 H new ATOM 0 HA ARG A 46 -9.392 6.106 8.742 1.00 63.12 H new ATOM 0 HB2 ARG A 46 -9.819 4.216 11.093 1.00 30.31 H new ATOM 0 HB3 ARG A 46 -11.058 5.315 10.521 1.00 30.31 H new ATOM 0 HG2 ARG A 46 -11.023 4.221 8.298 1.00 25.32 H new ATOM 0 HG3 ARG A 46 -9.754 3.140 8.838 1.00 25.32 H new ATOM 0 HD2 ARG A 46 -11.929 2.015 8.963 1.00 42.33 H new ATOM 0 HD3 ARG A 46 -11.252 2.201 10.569 1.00 42.33 H new ATOM 0 HE ARG A 46 -12.996 4.420 9.893 1.00 13.14 H new ATOM 0 HH11 ARG A 46 -12.942 1.090 10.979 1.00 62.44 H new ATOM 0 HH12 ARG A 46 -14.512 1.229 11.779 1.00 62.44 H new ATOM 0 HH21 ARG A 46 -14.949 4.555 10.899 1.00 23.41 H new ATOM 0 HH22 ARG A 46 -15.623 3.151 11.733 1.00 23.41 H new ATOM 807 N LYS A 47 -8.005 6.774 11.618 1.00 72.15 N ATOM 808 CA LYS A 47 -7.699 7.856 12.560 1.00 24.45 C ATOM 809 C LYS A 47 -7.488 9.204 11.844 1.00 65.35 C ATOM 810 O LYS A 47 -7.981 10.241 12.296 1.00 63.41 O ATOM 811 CB LYS A 47 -6.450 7.492 13.374 1.00 31.30 C ATOM 812 CG LYS A 47 -6.676 6.368 14.385 1.00 45.14 C ATOM 813 CD LYS A 47 -5.374 5.924 15.053 1.00 73.54 C ATOM 814 CE LYS A 47 -4.575 7.103 15.606 1.00 74.42 C ATOM 815 NZ LYS A 47 -5.359 7.927 16.567 1.00 15.40 N ATOM 0 H LYS A 47 -7.426 5.943 11.736 1.00 72.15 H new ATOM 0 HA LYS A 47 -8.555 7.971 13.225 1.00 24.45 H new ATOM 0 HB2 LYS A 47 -5.655 7.197 12.689 1.00 31.30 H new ATOM 0 HB3 LYS A 47 -6.102 8.379 13.903 1.00 31.30 H new ATOM 0 HG2 LYS A 47 -7.378 6.703 15.148 1.00 45.14 H new ATOM 0 HG3 LYS A 47 -7.134 5.516 13.883 1.00 45.14 H new ATOM 0 HD2 LYS A 47 -5.602 5.231 15.863 1.00 73.54 H new ATOM 0 HD3 LYS A 47 -4.764 5.381 14.331 1.00 73.54 H new ATOM 0 HE2 LYS A 47 -3.679 6.729 16.101 1.00 74.42 H new ATOM 0 HE3 LYS A 47 -4.244 7.732 14.780 1.00 74.42 H new ATOM 0 HZ1 LYS A 47 -4.710 8.406 17.223 1.00 15.40 H new ATOM 0 HZ2 LYS A 47 -5.911 8.637 16.045 1.00 15.40 H new ATOM 0 HZ3 LYS A 47 -6.004 7.314 17.105 1.00 15.40 H new ATOM 829 N GLU A 48 -6.774 9.182 10.717 1.00 43.45 N ATOM 830 CA GLU A 48 -6.481 10.406 9.954 1.00 40.12 C ATOM 831 C GLU A 48 -6.982 10.330 8.504 1.00 51.40 C ATOM 832 O GLU A 48 -6.323 10.831 7.589 1.00 44.24 O ATOM 833 CB GLU A 48 -4.970 10.714 9.978 1.00 62.34 C ATOM 834 CG GLU A 48 -4.563 11.711 11.058 1.00 75.05 C ATOM 835 CD GLU A 48 -5.308 13.035 10.936 1.00 2.22 C ATOM 836 OE1 GLU A 48 -4.953 13.848 10.053 1.00 55.41 O ATOM 837 OE2 GLU A 48 -6.253 13.267 11.722 1.00 4.40 O ATOM 0 H GLU A 48 -6.386 8.332 10.309 1.00 43.45 H new ATOM 0 HA GLU A 48 -7.022 11.217 10.442 1.00 40.12 H new ATOM 0 HB2 GLU A 48 -4.421 9.784 10.129 1.00 62.34 H new ATOM 0 HB3 GLU A 48 -4.673 11.105 9.005 1.00 62.34 H new ATOM 0 HG2 GLU A 48 -4.755 11.278 12.040 1.00 75.05 H new ATOM 0 HG3 GLU A 48 -3.490 11.894 10.995 1.00 75.05 H new ATOM 844 N SER A 49 -8.172 9.758 8.299 1.00 72.43 N ATOM 845 CA SER A 49 -8.797 9.733 6.958 1.00 53.12 C ATOM 846 C SER A 49 -8.959 11.161 6.403 1.00 61.54 C ATOM 847 O SER A 49 -9.190 11.365 5.208 1.00 12.30 O ATOM 848 CB SER A 49 -10.164 9.031 7.000 1.00 64.00 C ATOM 849 OG SER A 49 -10.754 8.968 5.707 1.00 62.41 O ATOM 0 H SER A 49 -8.723 9.309 9.030 1.00 72.43 H new ATOM 0 HA SER A 49 -8.137 9.171 6.297 1.00 53.12 H new ATOM 0 HB2 SER A 49 -10.045 8.023 7.397 1.00 64.00 H new ATOM 0 HB3 SER A 49 -10.828 9.565 7.679 1.00 64.00 H new ATOM 0 HG SER A 49 -11.254 8.130 5.616 1.00 62.41 H new ATOM 855 N GLN A 50 -8.825 12.139 7.293 1.00 21.21 N ATOM 856 CA GLN A 50 -8.885 13.559 6.937 1.00 53.12 C ATOM 857 C GLN A 50 -7.834 13.930 5.876 1.00 21.52 C ATOM 858 O GLN A 50 -8.166 14.467 4.819 1.00 61.12 O ATOM 859 CB GLN A 50 -8.651 14.410 8.193 1.00 41.20 C ATOM 860 CG GLN A 50 -9.463 13.966 9.402 1.00 14.13 C ATOM 861 CD GLN A 50 -10.962 14.124 9.211 1.00 73.02 C ATOM 862 OE1 GLN A 50 -11.426 15.035 8.535 1.00 64.44 O ATOM 863 NE2 GLN A 50 -11.729 13.227 9.789 1.00 63.22 N ATOM 0 H GLN A 50 -8.671 11.972 8.287 1.00 21.21 H new ATOM 0 HA GLN A 50 -9.872 13.755 6.518 1.00 53.12 H new ATOM 0 HB2 GLN A 50 -7.592 14.379 8.448 1.00 41.20 H new ATOM 0 HB3 GLN A 50 -8.894 15.448 7.966 1.00 41.20 H new ATOM 0 HG2 GLN A 50 -9.239 12.921 9.617 1.00 14.13 H new ATOM 0 HG3 GLN A 50 -9.152 14.544 10.272 1.00 14.13 H new ATOM 0 HE21 GLN A 50 -11.311 12.481 10.345 1.00 63.22 H new ATOM 0 HE22 GLN A 50 -12.742 13.277 9.681 1.00 63.22 H new ATOM 872 N ASN A 51 -6.563 13.632 6.163 1.00 32.35 N ATOM 873 CA ASN A 51 -5.449 14.086 5.317 1.00 22.42 C ATOM 874 C ASN A 51 -4.572 12.924 4.814 1.00 13.42 C ATOM 875 O ASN A 51 -3.454 13.149 4.344 1.00 14.30 O ATOM 876 CB ASN A 51 -4.565 15.063 6.106 1.00 3.35 C ATOM 877 CG ASN A 51 -5.351 16.177 6.769 1.00 35.14 C ATOM 878 OD1 ASN A 51 -5.607 17.215 6.169 1.00 32.21 O ATOM 879 ND2 ASN A 51 -5.709 15.992 8.026 1.00 13.30 N ATOM 0 H ASN A 51 -6.278 13.080 6.972 1.00 32.35 H new ATOM 0 HA ASN A 51 -5.891 14.573 4.448 1.00 22.42 H new ATOM 0 HB2 ASN A 51 -4.016 14.511 6.869 1.00 3.35 H new ATOM 0 HB3 ASN A 51 -3.826 15.499 5.433 1.00 3.35 H new ATOM 0 HD21 ASN A 51 -6.214 16.724 8.526 1.00 13.30 H new ATOM 0 HD22 ASN A 51 -5.481 15.117 8.498 1.00 13.30 H new ATOM 886 N ILE A 52 -5.059 11.686 4.901 1.00 71.51 N ATOM 887 CA ILE A 52 -4.232 10.527 4.530 1.00 62.25 C ATOM 888 C ILE A 52 -4.537 10.002 3.112 1.00 2.14 C ATOM 889 O ILE A 52 -5.683 9.988 2.657 1.00 31.31 O ATOM 890 CB ILE A 52 -4.372 9.368 5.557 1.00 3.23 C ATOM 891 CG1 ILE A 52 -3.234 8.348 5.377 1.00 13.52 C ATOM 892 CG2 ILE A 52 -5.732 8.680 5.422 1.00 71.40 C ATOM 893 CD1 ILE A 52 -3.204 7.269 6.441 1.00 13.52 C ATOM 0 H ILE A 52 -6.001 11.457 5.218 1.00 71.51 H new ATOM 0 HA ILE A 52 -3.203 10.888 4.538 1.00 62.25 H new ATOM 0 HB ILE A 52 -4.303 9.793 6.559 1.00 3.23 H new ATOM 0 HG12 ILE A 52 -3.332 7.878 4.399 1.00 13.52 H new ATOM 0 HG13 ILE A 52 -2.281 8.877 5.382 1.00 13.52 H new ATOM 0 HG21 ILE A 52 -5.805 7.873 6.151 1.00 71.40 H new ATOM 0 HG22 ILE A 52 -6.526 9.405 5.602 1.00 71.40 H new ATOM 0 HG23 ILE A 52 -5.835 8.271 4.417 1.00 71.40 H new ATOM 0 HD11 ILE A 52 -2.375 6.589 6.246 1.00 13.52 H new ATOM 0 HD12 ILE A 52 -3.074 7.728 7.421 1.00 13.52 H new ATOM 0 HD13 ILE A 52 -4.141 6.713 6.422 1.00 13.52 H new ATOM 905 N LYS A 53 -3.485 9.592 2.413 1.00 22.24 N ATOM 906 CA LYS A 53 -3.597 8.948 1.099 1.00 64.12 C ATOM 907 C LYS A 53 -2.812 7.628 1.114 1.00 64.33 C ATOM 908 O LYS A 53 -1.622 7.620 1.421 1.00 61.41 O ATOM 909 CB LYS A 53 -3.038 9.872 0.004 1.00 61.53 C ATOM 910 CG LYS A 53 -3.650 11.280 -0.030 1.00 54.11 C ATOM 911 CD LYS A 53 -4.769 11.431 -1.071 1.00 35.42 C ATOM 912 CE LYS A 53 -6.166 11.384 -0.454 1.00 0.24 C ATOM 913 NZ LYS A 53 -6.483 10.065 0.156 1.00 60.25 N ATOM 0 H LYS A 53 -2.524 9.695 2.739 1.00 22.24 H new ATOM 0 HA LYS A 53 -4.647 8.749 0.886 1.00 64.12 H new ATOM 0 HB2 LYS A 53 -1.961 9.963 0.142 1.00 61.53 H new ATOM 0 HB3 LYS A 53 -3.197 9.399 -0.965 1.00 61.53 H new ATOM 0 HG2 LYS A 53 -4.046 11.520 0.957 1.00 54.11 H new ATOM 0 HG3 LYS A 53 -2.865 12.005 -0.243 1.00 54.11 H new ATOM 0 HD2 LYS A 53 -4.642 12.376 -1.599 1.00 35.42 H new ATOM 0 HD3 LYS A 53 -4.678 10.637 -1.812 1.00 35.42 H new ATOM 0 HE2 LYS A 53 -6.248 12.160 0.307 1.00 0.24 H new ATOM 0 HE3 LYS A 53 -6.905 11.611 -1.222 1.00 0.24 H new ATOM 0 HZ1 LYS A 53 -7.499 10.019 0.375 1.00 60.25 H new ATOM 0 HZ2 LYS A 53 -6.238 9.306 -0.511 1.00 60.25 H new ATOM 0 HZ3 LYS A 53 -5.934 9.947 1.031 1.00 60.25 H new ATOM 927 N VAL A 54 -3.470 6.515 0.797 1.00 33.33 N ATOM 928 CA VAL A 54 -2.825 5.198 0.895 1.00 11.11 C ATOM 929 C VAL A 54 -2.657 4.520 -0.476 1.00 20.22 C ATOM 930 O VAL A 54 -3.626 4.307 -1.204 1.00 74.34 O ATOM 931 CB VAL A 54 -3.620 4.254 1.832 1.00 12.24 C ATOM 932 CG1 VAL A 54 -2.920 2.901 1.970 1.00 72.21 C ATOM 933 CG2 VAL A 54 -3.827 4.900 3.202 1.00 32.32 C ATOM 0 H VAL A 54 -4.437 6.492 0.474 1.00 33.33 H new ATOM 0 HA VAL A 54 -1.834 5.379 1.310 1.00 11.11 H new ATOM 0 HB VAL A 54 -4.599 4.081 1.385 1.00 12.24 H new ATOM 0 HG11 VAL A 54 -3.499 2.258 2.633 1.00 72.21 H new ATOM 0 HG12 VAL A 54 -2.838 2.432 0.989 1.00 72.21 H new ATOM 0 HG13 VAL A 54 -1.923 3.048 2.386 1.00 72.21 H new ATOM 0 HG21 VAL A 54 -4.387 4.220 3.844 1.00 32.32 H new ATOM 0 HG22 VAL A 54 -2.858 5.111 3.655 1.00 32.32 H new ATOM 0 HG23 VAL A 54 -4.383 5.830 3.085 1.00 32.32 H new ATOM 943 N LEU A 55 -1.415 4.188 -0.816 1.00 53.41 N ATOM 944 CA LEU A 55 -1.107 3.420 -2.032 1.00 72.14 C ATOM 945 C LEU A 55 -0.979 1.922 -1.701 1.00 13.10 C ATOM 946 O LEU A 55 -0.102 1.523 -0.938 1.00 14.24 O ATOM 947 CB LEU A 55 0.203 3.931 -2.654 1.00 45.51 C ATOM 948 CG LEU A 55 0.636 3.237 -3.960 1.00 52.34 C ATOM 949 CD1 LEU A 55 -0.349 3.529 -5.092 1.00 52.40 C ATOM 950 CD2 LEU A 55 2.050 3.659 -4.349 1.00 50.24 C ATOM 0 H LEU A 55 -0.594 4.439 -0.265 1.00 53.41 H new ATOM 0 HA LEU A 55 -1.920 3.553 -2.746 1.00 72.14 H new ATOM 0 HB2 LEU A 55 0.100 4.999 -2.848 1.00 45.51 H new ATOM 0 HB3 LEU A 55 1.001 3.816 -1.921 1.00 45.51 H new ATOM 0 HG LEU A 55 0.635 2.161 -3.787 1.00 52.34 H new ATOM 0 HD11 LEU A 55 -0.018 3.027 -6.001 1.00 52.40 H new ATOM 0 HD12 LEU A 55 -1.339 3.165 -4.816 1.00 52.40 H new ATOM 0 HD13 LEU A 55 -0.394 4.604 -5.267 1.00 52.40 H new ATOM 0 HD21 LEU A 55 2.338 3.158 -5.274 1.00 50.24 H new ATOM 0 HD22 LEU A 55 2.080 4.739 -4.496 1.00 50.24 H new ATOM 0 HD23 LEU A 55 2.744 3.382 -3.555 1.00 50.24 H new ATOM 962 N ILE A 56 -1.852 1.093 -2.268 1.00 52.13 N ATOM 963 CA ILE A 56 -1.852 -0.346 -1.970 1.00 75.12 C ATOM 964 C ILE A 56 -1.265 -1.164 -3.130 1.00 30.45 C ATOM 965 O ILE A 56 -1.821 -1.186 -4.229 1.00 53.25 O ATOM 966 CB ILE A 56 -3.285 -0.859 -1.664 1.00 42.41 C ATOM 967 CG1 ILE A 56 -3.908 -0.052 -0.510 1.00 10.20 C ATOM 968 CG2 ILE A 56 -3.267 -2.354 -1.332 1.00 33.43 C ATOM 969 CD1 ILE A 56 -5.312 -0.489 -0.140 1.00 13.31 C ATOM 0 H ILE A 56 -2.567 1.386 -2.934 1.00 52.13 H new ATOM 0 HA ILE A 56 -1.225 -0.481 -1.088 1.00 75.12 H new ATOM 0 HB ILE A 56 -3.898 -0.718 -2.554 1.00 42.41 H new ATOM 0 HG12 ILE A 56 -3.268 -0.139 0.368 1.00 10.20 H new ATOM 0 HG13 ILE A 56 -3.928 1.002 -0.786 1.00 10.20 H new ATOM 0 HG21 ILE A 56 -4.282 -2.692 -1.121 1.00 33.43 H new ATOM 0 HG22 ILE A 56 -2.868 -2.910 -2.180 1.00 33.43 H new ATOM 0 HG23 ILE A 56 -2.638 -2.525 -0.458 1.00 33.43 H new ATOM 0 HD11 ILE A 56 -5.681 0.127 0.680 1.00 13.31 H new ATOM 0 HD12 ILE A 56 -5.968 -0.375 -1.003 1.00 13.31 H new ATOM 0 HD13 ILE A 56 -5.298 -1.534 0.169 1.00 13.31 H new ATOM 981 N LEU A 57 -0.145 -1.839 -2.878 1.00 64.43 N ATOM 982 CA LEU A 57 0.500 -2.688 -3.886 1.00 50.02 C ATOM 983 C LEU A 57 0.204 -4.169 -3.614 1.00 52.53 C ATOM 984 O LEU A 57 0.625 -4.722 -2.597 1.00 20.34 O ATOM 985 CB LEU A 57 2.024 -2.457 -3.910 1.00 24.12 C ATOM 986 CG LEU A 57 2.491 -1.061 -4.367 1.00 32.41 C ATOM 987 CD1 LEU A 57 1.875 -0.691 -5.715 1.00 31.14 C ATOM 988 CD2 LEU A 57 2.180 -0.003 -3.313 1.00 61.21 C ATOM 0 H LEU A 57 0.339 -1.816 -1.980 1.00 64.43 H new ATOM 0 HA LEU A 57 0.092 -2.417 -4.859 1.00 50.02 H new ATOM 0 HB2 LEU A 57 2.414 -2.639 -2.909 1.00 24.12 H new ATOM 0 HB3 LEU A 57 2.474 -3.201 -4.567 1.00 24.12 H new ATOM 0 HG LEU A 57 3.573 -1.097 -4.492 1.00 32.41 H new ATOM 0 HD11 LEU A 57 2.221 0.298 -6.014 1.00 31.14 H new ATOM 0 HD12 LEU A 57 2.175 -1.422 -6.465 1.00 31.14 H new ATOM 0 HD13 LEU A 57 0.788 -0.685 -5.629 1.00 31.14 H new ATOM 0 HD21 LEU A 57 2.521 0.971 -3.664 1.00 61.21 H new ATOM 0 HD22 LEU A 57 1.105 0.031 -3.137 1.00 61.21 H new ATOM 0 HD23 LEU A 57 2.692 -0.254 -2.384 1.00 61.21 H new ATOM 1000 N VAL A 58 -0.512 -4.809 -4.533 1.00 11.32 N ATOM 1001 CA VAL A 58 -0.938 -6.202 -4.358 1.00 51.01 C ATOM 1002 C VAL A 58 -0.242 -7.147 -5.350 1.00 64.43 C ATOM 1003 O VAL A 58 -0.005 -6.791 -6.503 1.00 63.54 O ATOM 1004 CB VAL A 58 -2.472 -6.333 -4.517 1.00 55.24 C ATOM 1005 CG1 VAL A 58 -3.196 -5.525 -3.441 1.00 60.44 C ATOM 1006 CG2 VAL A 58 -2.911 -5.884 -5.908 1.00 11.33 C ATOM 0 H VAL A 58 -0.813 -4.387 -5.412 1.00 11.32 H new ATOM 0 HA VAL A 58 -0.649 -6.493 -3.348 1.00 51.01 H new ATOM 0 HB VAL A 58 -2.738 -7.383 -4.396 1.00 55.24 H new ATOM 0 HG11 VAL A 58 -4.273 -5.630 -3.570 1.00 60.44 H new ATOM 0 HG12 VAL A 58 -2.911 -5.894 -2.456 1.00 60.44 H new ATOM 0 HG13 VAL A 58 -2.921 -4.474 -3.529 1.00 60.44 H new ATOM 0 HG21 VAL A 58 -3.993 -5.984 -5.998 1.00 11.33 H new ATOM 0 HG22 VAL A 58 -2.629 -4.842 -6.060 1.00 11.33 H new ATOM 0 HG23 VAL A 58 -2.425 -6.505 -6.661 1.00 11.33 H new ATOM 1016 N SER A 59 0.078 -8.354 -4.891 1.00 62.50 N ATOM 1017 CA SER A 59 0.736 -9.361 -5.741 1.00 42.30 C ATOM 1018 C SER A 59 -0.250 -10.063 -6.691 1.00 24.23 C ATOM 1019 O SER A 59 0.153 -10.588 -7.730 1.00 2.43 O ATOM 1020 CB SER A 59 1.444 -10.412 -4.869 1.00 34.03 C ATOM 1021 OG SER A 59 2.028 -11.444 -5.656 1.00 12.25 O ATOM 0 H SER A 59 -0.105 -8.665 -3.937 1.00 62.50 H new ATOM 0 HA SER A 59 1.465 -8.831 -6.353 1.00 42.30 H new ATOM 0 HB2 SER A 59 2.217 -9.928 -4.272 1.00 34.03 H new ATOM 0 HB3 SER A 59 0.729 -10.847 -4.171 1.00 34.03 H new ATOM 0 HG SER A 59 2.470 -12.093 -5.069 1.00 12.25 H new ATOM 1027 N ASN A 60 -1.537 -10.078 -6.339 1.00 53.03 N ATOM 1028 CA ASN A 60 -2.550 -10.802 -7.129 1.00 4.54 C ATOM 1029 C ASN A 60 -3.844 -9.987 -7.296 1.00 72.13 C ATOM 1030 O ASN A 60 -4.123 -9.075 -6.514 1.00 40.24 O ATOM 1031 CB ASN A 60 -2.881 -12.146 -6.467 1.00 71.34 C ATOM 1032 CG ASN A 60 -1.654 -13.009 -6.248 1.00 32.43 C ATOM 1033 OD1 ASN A 60 -1.225 -13.737 -7.133 1.00 41.14 O ATOM 1034 ND2 ASN A 60 -1.092 -12.949 -5.059 1.00 43.25 N ATOM 0 H ASN A 60 -1.907 -9.601 -5.517 1.00 53.03 H new ATOM 0 HA ASN A 60 -2.124 -10.969 -8.118 1.00 4.54 H new ATOM 0 HB2 ASN A 60 -3.368 -11.964 -5.509 1.00 71.34 H new ATOM 0 HB3 ASN A 60 -3.594 -12.687 -7.089 1.00 71.34 H new ATOM 0 HD21 ASN A 60 -0.273 -13.521 -4.853 1.00 43.25 H new ATOM 0 HD22 ASN A 60 -1.476 -12.331 -4.344 1.00 43.25 H new ATOM 1041 N ASP A 61 -4.639 -10.339 -8.311 1.00 71.52 N ATOM 1042 CA ASP A 61 -5.918 -9.662 -8.576 1.00 4.14 C ATOM 1043 C ASP A 61 -6.931 -9.879 -7.439 1.00 34.43 C ATOM 1044 O ASP A 61 -7.714 -8.984 -7.114 1.00 74.23 O ATOM 1045 CB ASP A 61 -6.512 -10.148 -9.898 1.00 31.12 C ATOM 1046 CG ASP A 61 -5.637 -9.809 -11.087 1.00 24.45 C ATOM 1047 OD1 ASP A 61 -5.716 -8.666 -11.580 1.00 4.42 O ATOM 1048 OD2 ASP A 61 -4.863 -10.683 -11.536 1.00 71.53 O ATOM 0 H ASP A 61 -4.421 -11.090 -8.966 1.00 71.52 H new ATOM 0 HA ASP A 61 -5.711 -8.594 -8.639 1.00 4.14 H new ATOM 0 HB2 ASP A 61 -6.656 -11.228 -9.853 1.00 31.12 H new ATOM 0 HB3 ASP A 61 -7.496 -9.701 -10.036 1.00 31.12 H new ATOM 1053 N GLU A 62 -6.925 -11.074 -6.850 1.00 10.13 N ATOM 1054 CA GLU A 62 -7.766 -11.369 -5.680 1.00 61.23 C ATOM 1055 C GLU A 62 -7.481 -10.369 -4.545 1.00 42.31 C ATOM 1056 O GLU A 62 -8.400 -9.774 -3.972 1.00 52.23 O ATOM 1057 CB GLU A 62 -7.502 -12.804 -5.199 1.00 74.30 C ATOM 1058 CG GLU A 62 -8.356 -13.245 -4.009 1.00 65.24 C ATOM 1059 CD GLU A 62 -9.833 -13.391 -4.344 1.00 22.15 C ATOM 1060 OE1 GLU A 62 -10.154 -13.888 -5.444 1.00 74.01 O ATOM 1061 OE2 GLU A 62 -10.682 -13.029 -3.502 1.00 55.42 O ATOM 0 H GLU A 62 -6.349 -11.856 -7.160 1.00 10.13 H new ATOM 0 HA GLU A 62 -8.813 -11.274 -5.967 1.00 61.23 H new ATOM 0 HB2 GLU A 62 -7.677 -13.489 -6.029 1.00 74.30 H new ATOM 0 HB3 GLU A 62 -6.450 -12.894 -4.928 1.00 74.30 H new ATOM 0 HG2 GLU A 62 -7.980 -14.198 -3.635 1.00 65.24 H new ATOM 0 HG3 GLU A 62 -8.244 -12.520 -3.203 1.00 65.24 H new ATOM 1068 N GLU A 63 -6.195 -10.176 -4.243 1.00 41.32 N ATOM 1069 CA GLU A 63 -5.766 -9.203 -3.231 1.00 21.20 C ATOM 1070 C GLU A 63 -6.192 -7.778 -3.626 1.00 74.23 C ATOM 1071 O GLU A 63 -6.604 -6.984 -2.781 1.00 30.54 O ATOM 1072 CB GLU A 63 -4.241 -9.258 -3.054 1.00 63.13 C ATOM 1073 CG GLU A 63 -3.695 -10.649 -2.744 1.00 41.23 C ATOM 1074 CD GLU A 63 -4.305 -11.263 -1.492 1.00 53.43 C ATOM 1075 OE1 GLU A 63 -4.014 -10.770 -0.383 1.00 40.14 O ATOM 1076 OE2 GLU A 63 -5.070 -12.245 -1.611 1.00 12.23 O ATOM 0 H GLU A 63 -5.428 -10.682 -4.686 1.00 41.32 H new ATOM 0 HA GLU A 63 -6.247 -9.461 -2.288 1.00 21.20 H new ATOM 0 HB2 GLU A 63 -3.768 -8.889 -3.964 1.00 63.13 H new ATOM 0 HB3 GLU A 63 -3.956 -8.581 -2.249 1.00 63.13 H new ATOM 0 HG2 GLU A 63 -3.885 -11.305 -3.593 1.00 41.23 H new ATOM 0 HG3 GLU A 63 -2.613 -10.590 -2.623 1.00 41.23 H new ATOM 1083 N LEU A 64 -6.081 -7.472 -4.921 1.00 72.21 N ATOM 1084 CA LEU A 64 -6.502 -6.172 -5.468 1.00 12.22 C ATOM 1085 C LEU A 64 -7.965 -5.874 -5.114 1.00 53.53 C ATOM 1086 O LEU A 64 -8.298 -4.792 -4.622 1.00 41.52 O ATOM 1087 CB LEU A 64 -6.335 -6.174 -6.997 1.00 25.43 C ATOM 1088 CG LEU A 64 -6.594 -4.830 -7.700 1.00 53.13 C ATOM 1089 CD1 LEU A 64 -5.484 -3.831 -7.385 1.00 22.33 C ATOM 1090 CD2 LEU A 64 -6.731 -5.030 -9.207 1.00 2.23 C ATOM 0 H LEU A 64 -5.700 -8.111 -5.619 1.00 72.21 H new ATOM 0 HA LEU A 64 -5.874 -5.397 -5.028 1.00 12.22 H new ATOM 0 HB2 LEU A 64 -5.321 -6.496 -7.232 1.00 25.43 H new ATOM 0 HB3 LEU A 64 -7.012 -6.918 -7.417 1.00 25.43 H new ATOM 0 HG LEU A 64 -7.532 -4.423 -7.323 1.00 53.13 H new ATOM 0 HD11 LEU A 64 -5.688 -2.888 -7.893 1.00 22.33 H new ATOM 0 HD12 LEU A 64 -5.441 -3.662 -6.309 1.00 22.33 H new ATOM 0 HD13 LEU A 64 -4.529 -4.228 -7.728 1.00 22.33 H new ATOM 0 HD21 LEU A 64 -6.914 -4.068 -9.687 1.00 2.23 H new ATOM 0 HD22 LEU A 64 -5.812 -5.463 -9.602 1.00 2.23 H new ATOM 0 HD23 LEU A 64 -7.565 -5.701 -9.411 1.00 2.23 H new ATOM 1102 N ASP A 65 -8.828 -6.851 -5.373 1.00 40.51 N ATOM 1103 CA ASP A 65 -10.253 -6.737 -5.074 1.00 2.14 C ATOM 1104 C ASP A 65 -10.516 -6.561 -3.574 1.00 2.25 C ATOM 1105 O ASP A 65 -11.117 -5.570 -3.161 1.00 33.31 O ATOM 1106 CB ASP A 65 -11.002 -7.962 -5.617 1.00 50.53 C ATOM 1107 CG ASP A 65 -11.271 -7.863 -7.109 1.00 53.13 C ATOM 1108 OD1 ASP A 65 -10.717 -6.953 -7.763 1.00 11.22 O ATOM 1109 OD2 ASP A 65 -12.060 -8.672 -7.628 1.00 55.04 O ATOM 0 H ASP A 65 -8.562 -7.741 -5.794 1.00 40.51 H new ATOM 0 HA ASP A 65 -10.626 -5.840 -5.569 1.00 2.14 H new ATOM 0 HB2 ASP A 65 -10.418 -8.860 -5.415 1.00 50.53 H new ATOM 0 HB3 ASP A 65 -11.948 -8.070 -5.087 1.00 50.53 H new ATOM 1114 N LYS A 66 -10.055 -7.510 -2.767 1.00 54.22 N ATOM 1115 CA LYS A 66 -10.291 -7.468 -1.320 1.00 22.13 C ATOM 1116 C LYS A 66 -9.768 -6.163 -0.693 1.00 62.13 C ATOM 1117 O LYS A 66 -10.453 -5.537 0.117 1.00 2.35 O ATOM 1118 CB LYS A 66 -9.643 -8.680 -0.634 1.00 52.32 C ATOM 1119 CG LYS A 66 -10.203 -10.027 -1.094 1.00 21.12 C ATOM 1120 CD LYS A 66 -11.717 -10.122 -0.896 1.00 21.33 C ATOM 1121 CE LYS A 66 -12.121 -9.907 0.561 1.00 63.03 C ATOM 1122 NZ LYS A 66 -13.586 -10.063 0.765 1.00 42.33 N ATOM 0 H LYS A 66 -9.517 -8.317 -3.084 1.00 54.22 H new ATOM 0 HA LYS A 66 -11.369 -7.503 -1.165 1.00 22.13 H new ATOM 0 HB2 LYS A 66 -8.570 -8.661 -0.823 1.00 52.32 H new ATOM 0 HB3 LYS A 66 -9.779 -8.590 0.444 1.00 52.32 H new ATOM 0 HG2 LYS A 66 -9.966 -10.176 -2.147 1.00 21.12 H new ATOM 0 HG3 LYS A 66 -9.715 -10.829 -0.541 1.00 21.12 H new ATOM 0 HD2 LYS A 66 -12.211 -9.379 -1.522 1.00 21.33 H new ATOM 0 HD3 LYS A 66 -12.065 -11.100 -1.227 1.00 21.33 H new ATOM 0 HE2 LYS A 66 -11.590 -10.619 1.193 1.00 63.03 H new ATOM 0 HE3 LYS A 66 -11.816 -8.910 0.878 1.00 63.03 H new ATOM 0 HZ1 LYS A 66 -13.815 -9.909 1.768 1.00 42.33 H new ATOM 0 HZ2 LYS A 66 -14.094 -9.367 0.183 1.00 42.33 H new ATOM 0 HZ3 LYS A 66 -13.875 -11.023 0.488 1.00 42.33 H new ATOM 1136 N ALA A 67 -8.567 -5.747 -1.093 1.00 43.20 N ATOM 1137 CA ALA A 67 -7.956 -4.519 -0.571 1.00 1.05 C ATOM 1138 C ALA A 67 -8.819 -3.278 -0.855 1.00 2.33 C ATOM 1139 O ALA A 67 -9.097 -2.481 0.046 1.00 45.14 O ATOM 1140 CB ALA A 67 -6.558 -4.341 -1.155 1.00 30.25 C ATOM 0 H ALA A 67 -7.995 -6.241 -1.778 1.00 43.20 H new ATOM 0 HA ALA A 67 -7.884 -4.621 0.512 1.00 1.05 H new ATOM 0 HB1 ALA A 67 -6.113 -3.427 -0.762 1.00 30.25 H new ATOM 0 HB2 ALA A 67 -5.938 -5.194 -0.880 1.00 30.25 H new ATOM 0 HB3 ALA A 67 -6.623 -4.275 -2.241 1.00 30.25 H new ATOM 1146 N LYS A 68 -9.256 -3.117 -2.106 1.00 11.11 N ATOM 1147 CA LYS A 68 -10.038 -1.936 -2.490 1.00 40.13 C ATOM 1148 C LYS A 68 -11.467 -1.990 -1.921 1.00 24.43 C ATOM 1149 O LYS A 68 -12.002 -0.974 -1.487 1.00 22.25 O ATOM 1150 CB LYS A 68 -10.065 -1.758 -4.020 1.00 22.23 C ATOM 1151 CG LYS A 68 -10.966 -2.731 -4.778 1.00 35.42 C ATOM 1152 CD LYS A 68 -10.874 -2.508 -6.288 1.00 64.33 C ATOM 1153 CE LYS A 68 -11.974 -3.237 -7.057 1.00 71.45 C ATOM 1154 NZ LYS A 68 -11.911 -4.711 -6.891 1.00 13.23 N ATOM 0 H LYS A 68 -9.086 -3.779 -2.863 1.00 11.11 H new ATOM 0 HA LYS A 68 -9.543 -1.067 -2.056 1.00 40.13 H new ATOM 0 HB2 LYS A 68 -10.387 -0.741 -4.245 1.00 22.23 H new ATOM 0 HB3 LYS A 68 -9.048 -1.861 -4.399 1.00 22.23 H new ATOM 0 HG2 LYS A 68 -10.680 -3.756 -4.541 1.00 35.42 H new ATOM 0 HG3 LYS A 68 -11.998 -2.605 -4.451 1.00 35.42 H new ATOM 0 HD2 LYS A 68 -10.935 -1.440 -6.498 1.00 64.33 H new ATOM 0 HD3 LYS A 68 -9.901 -2.848 -6.643 1.00 64.33 H new ATOM 0 HE2 LYS A 68 -12.946 -2.879 -6.719 1.00 71.45 H new ATOM 0 HE3 LYS A 68 -11.895 -2.991 -8.116 1.00 71.45 H new ATOM 0 HZ1 LYS A 68 -12.709 -5.151 -7.392 1.00 13.23 H new ATOM 0 HZ2 LYS A 68 -11.017 -5.067 -7.285 1.00 13.23 H new ATOM 0 HZ3 LYS A 68 -11.963 -4.949 -5.880 1.00 13.23 H new ATOM 1168 N GLU A 69 -12.078 -3.176 -1.920 1.00 50.32 N ATOM 1169 CA GLU A 69 -13.432 -3.354 -1.375 1.00 14.24 C ATOM 1170 C GLU A 69 -13.497 -2.953 0.107 1.00 22.33 C ATOM 1171 O GLU A 69 -14.387 -2.202 0.519 1.00 61.13 O ATOM 1172 CB GLU A 69 -13.892 -4.813 -1.551 1.00 51.12 C ATOM 1173 CG GLU A 69 -14.188 -5.206 -2.999 1.00 12.12 C ATOM 1174 CD GLU A 69 -14.524 -6.686 -3.157 1.00 24.23 C ATOM 1175 OE1 GLU A 69 -15.466 -7.163 -2.485 1.00 20.31 O ATOM 1176 OE2 GLU A 69 -13.850 -7.379 -3.948 1.00 64.40 O ATOM 0 H GLU A 69 -11.660 -4.030 -2.290 1.00 50.32 H new ATOM 0 HA GLU A 69 -14.104 -2.699 -1.930 1.00 14.24 H new ATOM 0 HB2 GLU A 69 -13.121 -5.475 -1.157 1.00 51.12 H new ATOM 0 HB3 GLU A 69 -14.788 -4.975 -0.952 1.00 51.12 H new ATOM 0 HG2 GLU A 69 -15.021 -4.608 -3.369 1.00 12.12 H new ATOM 0 HG3 GLU A 69 -13.324 -4.967 -3.619 1.00 12.12 H new ATOM 1183 N LEU A 70 -12.548 -3.449 0.902 1.00 74.23 N ATOM 1184 CA LEU A 70 -12.472 -3.102 2.324 1.00 42.41 C ATOM 1185 C LEU A 70 -12.281 -1.587 2.519 1.00 62.13 C ATOM 1186 O LEU A 70 -13.091 -0.929 3.174 1.00 5.54 O ATOM 1187 CB LEU A 70 -11.325 -3.870 3.004 1.00 54.04 C ATOM 1188 CG LEU A 70 -11.493 -5.400 3.062 1.00 54.12 C ATOM 1189 CD1 LEU A 70 -10.254 -6.057 3.668 1.00 22.11 C ATOM 1190 CD2 LEU A 70 -12.744 -5.779 3.852 1.00 5.21 C ATOM 0 H LEU A 70 -11.821 -4.092 0.587 1.00 74.23 H new ATOM 0 HA LEU A 70 -13.416 -3.389 2.788 1.00 42.41 H new ATOM 0 HB2 LEU A 70 -10.398 -3.644 2.478 1.00 54.04 H new ATOM 0 HB3 LEU A 70 -11.214 -3.496 4.022 1.00 54.04 H new ATOM 0 HG LEU A 70 -11.611 -5.767 2.042 1.00 54.12 H new ATOM 0 HD11 LEU A 70 -10.394 -7.138 3.700 1.00 22.11 H new ATOM 0 HD12 LEU A 70 -9.382 -5.822 3.058 1.00 22.11 H new ATOM 0 HD13 LEU A 70 -10.101 -5.681 4.680 1.00 22.11 H new ATOM 0 HD21 LEU A 70 -12.842 -6.864 3.880 1.00 5.21 H new ATOM 0 HD22 LEU A 70 -12.662 -5.396 4.869 1.00 5.21 H new ATOM 0 HD23 LEU A 70 -13.622 -5.347 3.372 1.00 5.21 H new ATOM 1202 N ALA A 71 -11.219 -1.040 1.921 1.00 3.21 N ATOM 1203 CA ALA A 71 -10.890 0.388 2.055 1.00 53.43 C ATOM 1204 C ALA A 71 -12.080 1.302 1.714 1.00 42.21 C ATOM 1205 O ALA A 71 -12.393 2.233 2.462 1.00 72.41 O ATOM 1206 CB ALA A 71 -9.700 0.724 1.170 1.00 52.44 C ATOM 0 H ALA A 71 -10.568 -1.564 1.336 1.00 3.21 H new ATOM 0 HA ALA A 71 -10.640 0.570 3.100 1.00 53.43 H new ATOM 0 HB1 ALA A 71 -9.459 1.782 1.271 1.00 52.44 H new ATOM 0 HB2 ALA A 71 -8.841 0.125 1.473 1.00 52.44 H new ATOM 0 HB3 ALA A 71 -9.946 0.506 0.131 1.00 52.44 H new ATOM 1212 N GLN A 72 -12.737 1.029 0.586 1.00 25.21 N ATOM 1213 CA GLN A 72 -13.910 1.807 0.159 1.00 20.53 C ATOM 1214 C GLN A 72 -15.012 1.804 1.232 1.00 13.10 C ATOM 1215 O GLN A 72 -15.596 2.844 1.543 1.00 4.05 O ATOM 1216 CB GLN A 72 -14.461 1.253 -1.165 1.00 11.13 C ATOM 1217 CG GLN A 72 -13.523 1.450 -2.354 1.00 43.35 C ATOM 1218 CD GLN A 72 -14.046 0.811 -3.631 1.00 14.21 C ATOM 1219 OE1 GLN A 72 -14.737 1.438 -4.423 1.00 71.52 O ATOM 1220 NE2 GLN A 72 -13.731 -0.453 -3.832 1.00 74.24 N ATOM 0 H GLN A 72 -12.480 0.275 -0.051 1.00 25.21 H new ATOM 0 HA GLN A 72 -13.589 2.838 0.012 1.00 20.53 H new ATOM 0 HB2 GLN A 72 -14.663 0.189 -1.046 1.00 11.13 H new ATOM 0 HB3 GLN A 72 -15.414 1.736 -1.382 1.00 11.13 H new ATOM 0 HG2 GLN A 72 -13.375 2.517 -2.521 1.00 43.35 H new ATOM 0 HG3 GLN A 72 -12.547 1.027 -2.115 1.00 43.35 H new ATOM 0 HE21 GLN A 72 -13.153 -0.949 -3.153 1.00 74.24 H new ATOM 0 HE22 GLN A 72 -14.065 -0.935 -4.666 1.00 74.24 H new ATOM 1229 N LYS A 73 -15.285 0.634 1.809 1.00 61.32 N ATOM 1230 CA LYS A 73 -16.317 0.508 2.846 1.00 73.22 C ATOM 1231 C LYS A 73 -15.851 1.089 4.193 1.00 35.00 C ATOM 1232 O LYS A 73 -16.668 1.502 5.020 1.00 71.32 O ATOM 1233 CB LYS A 73 -16.729 -0.963 3.012 1.00 13.23 C ATOM 1234 CG LYS A 73 -17.419 -1.553 1.781 1.00 42.02 C ATOM 1235 CD LYS A 73 -17.870 -2.994 2.012 1.00 53.43 C ATOM 1236 CE LYS A 73 -18.823 -3.111 3.201 1.00 3.41 C ATOM 1237 NZ LYS A 73 -20.063 -2.301 3.023 1.00 12.50 N ATOM 0 H LYS A 73 -14.810 -0.239 1.579 1.00 61.32 H new ATOM 0 HA LYS A 73 -17.181 1.087 2.521 1.00 73.22 H new ATOM 0 HB2 LYS A 73 -15.843 -1.555 3.239 1.00 13.23 H new ATOM 0 HB3 LYS A 73 -17.398 -1.049 3.868 1.00 13.23 H new ATOM 0 HG2 LYS A 73 -18.282 -0.940 1.521 1.00 42.02 H new ATOM 0 HG3 LYS A 73 -16.737 -1.519 0.932 1.00 42.02 H new ATOM 0 HD2 LYS A 73 -18.362 -3.368 1.114 1.00 53.43 H new ATOM 0 HD3 LYS A 73 -16.997 -3.624 2.183 1.00 53.43 H new ATOM 0 HE2 LYS A 73 -19.094 -4.157 3.343 1.00 3.41 H new ATOM 0 HE3 LYS A 73 -18.310 -2.789 4.107 1.00 3.41 H new ATOM 0 HZ1 LYS A 73 -20.712 -2.481 3.816 1.00 12.50 H new ATOM 0 HZ2 LYS A 73 -19.817 -1.291 2.999 1.00 12.50 H new ATOM 0 HZ3 LYS A 73 -20.526 -2.566 2.130 1.00 12.50 H new ATOM 1251 N MET A 74 -14.538 1.127 4.409 1.00 23.31 N ATOM 1252 CA MET A 74 -13.976 1.655 5.657 1.00 63.21 C ATOM 1253 C MET A 74 -13.643 3.157 5.552 1.00 54.24 C ATOM 1254 O MET A 74 -12.915 3.699 6.387 1.00 54.41 O ATOM 1255 CB MET A 74 -12.738 0.842 6.063 1.00 31.41 C ATOM 1256 CG MET A 74 -13.038 -0.641 6.273 1.00 74.11 C ATOM 1257 SD MET A 74 -11.624 -1.572 6.887 1.00 33.11 S ATOM 1258 CE MET A 74 -11.424 -0.852 8.515 1.00 63.43 C ATOM 0 H MET A 74 -13.842 0.800 3.739 1.00 23.31 H new ATOM 0 HA MET A 74 -14.734 1.554 6.434 1.00 63.21 H new ATOM 0 HB2 MET A 74 -11.973 0.947 5.293 1.00 31.41 H new ATOM 0 HB3 MET A 74 -12.324 1.257 6.982 1.00 31.41 H new ATOM 0 HG2 MET A 74 -13.864 -0.742 6.977 1.00 74.11 H new ATOM 0 HG3 MET A 74 -13.368 -1.075 5.329 1.00 74.11 H new ATOM 0 HE1 MET A 74 -11.285 -1.646 9.249 1.00 63.43 H new ATOM 0 HE2 MET A 74 -10.553 -0.197 8.519 1.00 63.43 H new ATOM 0 HE3 MET A 74 -12.313 -0.274 8.769 1.00 63.43 H new ATOM 1268 N GLU A 75 -14.184 3.816 4.516 1.00 20.14 N ATOM 1269 CA GLU A 75 -14.130 5.285 4.385 1.00 20.22 C ATOM 1270 C GLU A 75 -12.710 5.821 4.108 1.00 31.22 C ATOM 1271 O GLU A 75 -12.405 6.973 4.430 1.00 61.34 O ATOM 1272 CB GLU A 75 -14.698 5.947 5.653 1.00 72.23 C ATOM 1273 CG GLU A 75 -16.160 5.609 5.936 1.00 31.52 C ATOM 1274 CD GLU A 75 -16.614 6.084 7.309 1.00 73.35 C ATOM 1275 OE1 GLU A 75 -16.829 7.301 7.485 1.00 43.21 O ATOM 1276 OE2 GLU A 75 -16.749 5.242 8.226 1.00 40.14 O ATOM 0 H GLU A 75 -14.669 3.351 3.748 1.00 20.14 H new ATOM 0 HA GLU A 75 -14.739 5.543 3.518 1.00 20.22 H new ATOM 0 HB2 GLU A 75 -14.095 5.644 6.509 1.00 72.23 H new ATOM 0 HB3 GLU A 75 -14.598 7.028 5.560 1.00 72.23 H new ATOM 0 HG2 GLU A 75 -16.789 6.065 5.171 1.00 31.52 H new ATOM 0 HG3 GLU A 75 -16.301 4.531 5.864 1.00 31.52 H new ATOM 1283 N ILE A 76 -11.860 5.012 3.477 1.00 44.01 N ATOM 1284 CA ILE A 76 -10.472 5.420 3.201 1.00 34.23 C ATOM 1285 C ILE A 76 -10.191 5.540 1.691 1.00 12.20 C ATOM 1286 O ILE A 76 -10.406 4.596 0.930 1.00 71.24 O ATOM 1287 CB ILE A 76 -9.460 4.426 3.827 1.00 0.33 C ATOM 1288 CG1 ILE A 76 -9.706 4.291 5.339 1.00 42.52 C ATOM 1289 CG2 ILE A 76 -8.022 4.873 3.555 1.00 2.21 C ATOM 1290 CD1 ILE A 76 -8.756 3.339 6.029 1.00 43.52 C ATOM 0 H ILE A 76 -12.100 4.077 3.147 1.00 44.01 H new ATOM 0 HA ILE A 76 -10.346 6.403 3.656 1.00 34.23 H new ATOM 0 HB ILE A 76 -9.607 3.450 3.363 1.00 0.33 H new ATOM 0 HG12 ILE A 76 -9.619 5.274 5.801 1.00 42.52 H new ATOM 0 HG13 ILE A 76 -10.729 3.951 5.502 1.00 42.52 H new ATOM 0 HG21 ILE A 76 -7.329 4.161 4.003 1.00 2.21 H new ATOM 0 HG22 ILE A 76 -7.852 4.917 2.479 1.00 2.21 H new ATOM 0 HG23 ILE A 76 -7.860 5.860 3.989 1.00 2.21 H new ATOM 0 HD11 ILE A 76 -8.992 3.297 7.092 1.00 43.52 H new ATOM 0 HD12 ILE A 76 -8.858 2.344 5.595 1.00 43.52 H new ATOM 0 HD13 ILE A 76 -7.732 3.688 5.898 1.00 43.52 H new ATOM 1302 N ASP A 77 -9.707 6.713 1.269 1.00 63.24 N ATOM 1303 CA ASP A 77 -9.297 6.933 -0.124 1.00 3.13 C ATOM 1304 C ASP A 77 -7.949 6.257 -0.416 1.00 52.25 C ATOM 1305 O ASP A 77 -6.903 6.685 0.087 1.00 15.14 O ATOM 1306 CB ASP A 77 -9.194 8.434 -0.418 1.00 71.14 C ATOM 1307 CG ASP A 77 -10.506 9.152 -0.193 1.00 42.10 C ATOM 1308 OD1 ASP A 77 -10.763 9.578 0.950 1.00 63.00 O ATOM 1309 OD2 ASP A 77 -11.287 9.296 -1.156 1.00 5.22 O ATOM 0 H ASP A 77 -9.589 7.527 1.873 1.00 63.24 H new ATOM 0 HA ASP A 77 -10.055 6.490 -0.769 1.00 3.13 H new ATOM 0 HB2 ASP A 77 -8.427 8.875 0.218 1.00 71.14 H new ATOM 0 HB3 ASP A 77 -8.875 8.579 -1.450 1.00 71.14 H new ATOM 1314 N VAL A 78 -7.977 5.206 -1.233 1.00 41.44 N ATOM 1315 CA VAL A 78 -6.770 4.435 -1.554 1.00 65.03 C ATOM 1316 C VAL A 78 -6.515 4.364 -3.070 1.00 14.11 C ATOM 1317 O VAL A 78 -7.397 4.651 -3.880 1.00 3.33 O ATOM 1318 CB VAL A 78 -6.858 2.989 -0.997 1.00 73.50 C ATOM 1319 CG1 VAL A 78 -7.043 2.999 0.518 1.00 33.40 C ATOM 1320 CG2 VAL A 78 -7.985 2.212 -1.679 1.00 53.12 C ATOM 0 H VAL A 78 -8.824 4.865 -1.688 1.00 41.44 H new ATOM 0 HA VAL A 78 -5.941 4.961 -1.080 1.00 65.03 H new ATOM 0 HB VAL A 78 -5.917 2.484 -1.217 1.00 73.50 H new ATOM 0 HG11 VAL A 78 -7.102 1.974 0.884 1.00 33.40 H new ATOM 0 HG12 VAL A 78 -6.197 3.503 0.985 1.00 33.40 H new ATOM 0 HG13 VAL A 78 -7.963 3.527 0.769 1.00 33.40 H new ATOM 0 HG21 VAL A 78 -8.028 1.201 -1.273 1.00 53.12 H new ATOM 0 HG22 VAL A 78 -8.935 2.716 -1.499 1.00 53.12 H new ATOM 0 HG23 VAL A 78 -7.797 2.164 -2.752 1.00 53.12 H new ATOM 1330 N ARG A 79 -5.292 3.990 -3.437 1.00 44.25 N ATOM 1331 CA ARG A 79 -4.936 3.709 -4.833 1.00 12.22 C ATOM 1332 C ARG A 79 -4.358 2.290 -4.950 1.00 54.44 C ATOM 1333 O ARG A 79 -3.206 2.044 -4.589 1.00 41.43 O ATOM 1334 CB ARG A 79 -3.926 4.744 -5.362 1.00 61.21 C ATOM 1335 CG ARG A 79 -4.466 6.172 -5.400 1.00 51.21 C ATOM 1336 CD ARG A 79 -3.446 7.147 -5.987 1.00 43.43 C ATOM 1337 NE ARG A 79 -3.105 6.833 -7.376 1.00 73.42 N ATOM 1338 CZ ARG A 79 -2.336 7.575 -8.130 1.00 72.31 C ATOM 1339 NH1 ARG A 79 -1.862 8.693 -7.685 1.00 15.44 N ATOM 1340 NH2 ARG A 79 -2.065 7.208 -9.339 1.00 4.33 N ATOM 0 H ARG A 79 -4.520 3.872 -2.781 1.00 44.25 H new ATOM 0 HA ARG A 79 -5.838 3.777 -5.440 1.00 12.22 H new ATOM 0 HB2 ARG A 79 -3.034 4.720 -4.736 1.00 61.21 H new ATOM 0 HB3 ARG A 79 -3.618 4.456 -6.367 1.00 61.21 H new ATOM 0 HG2 ARG A 79 -5.380 6.200 -5.994 1.00 51.21 H new ATOM 0 HG3 ARG A 79 -4.732 6.487 -4.391 1.00 51.21 H new ATOM 0 HD2 ARG A 79 -3.845 8.160 -5.934 1.00 43.43 H new ATOM 0 HD3 ARG A 79 -2.540 7.129 -5.381 1.00 43.43 H new ATOM 0 HE ARG A 79 -3.492 5.981 -7.782 1.00 73.42 H new ATOM 0 HH11 ARG A 79 -2.087 9.002 -6.739 1.00 15.44 H new ATOM 0 HH12 ARG A 79 -1.263 9.266 -8.280 1.00 15.44 H new ATOM 0 HH21 ARG A 79 -2.451 6.338 -9.707 1.00 4.33 H new ATOM 0 HH22 ARG A 79 -1.465 7.788 -9.926 1.00 4.33 H new ATOM 1354 N THR A 80 -5.173 1.356 -5.428 1.00 13.33 N ATOM 1355 CA THR A 80 -4.765 -0.053 -5.533 1.00 13.02 C ATOM 1356 C THR A 80 -4.096 -0.361 -6.877 1.00 52.45 C ATOM 1357 O THR A 80 -4.634 -0.048 -7.939 1.00 22.30 O ATOM 1358 CB THR A 80 -5.974 -1.002 -5.358 1.00 5.12 C ATOM 1359 OG1 THR A 80 -7.036 -0.622 -6.249 1.00 70.22 O ATOM 1360 CG2 THR A 80 -6.479 -0.994 -3.920 1.00 0.11 C ATOM 0 H THR A 80 -6.122 1.543 -5.751 1.00 13.33 H new ATOM 0 HA THR A 80 -4.045 -0.219 -4.732 1.00 13.02 H new ATOM 0 HB THR A 80 -5.644 -2.012 -5.599 1.00 5.12 H new ATOM 0 HG1 THR A 80 -6.658 -0.351 -7.112 1.00 70.22 H new ATOM 0 HG21 THR A 80 -7.329 -1.671 -3.829 1.00 0.11 H new ATOM 0 HG22 THR A 80 -5.682 -1.321 -3.253 1.00 0.11 H new ATOM 0 HG23 THR A 80 -6.788 0.015 -3.649 1.00 0.11 H new ATOM 1368 N ARG A 81 -2.915 -0.976 -6.824 1.00 55.14 N ATOM 1369 CA ARG A 81 -2.194 -1.382 -8.035 1.00 72.31 C ATOM 1370 C ARG A 81 -1.564 -2.773 -7.883 1.00 12.32 C ATOM 1371 O ARG A 81 -0.969 -3.096 -6.855 1.00 2.30 O ATOM 1372 CB ARG A 81 -1.116 -0.344 -8.399 1.00 32.33 C ATOM 1373 CG ARG A 81 -1.684 0.940 -8.996 1.00 3.50 C ATOM 1374 CD ARG A 81 -2.402 0.665 -10.314 1.00 44.53 C ATOM 1375 NE ARG A 81 -3.045 1.859 -10.859 1.00 51.24 N ATOM 1376 CZ ARG A 81 -3.149 2.120 -12.134 1.00 2.23 C ATOM 1377 NH1 ARG A 81 -2.616 1.333 -13.014 1.00 14.24 N ATOM 1378 NH2 ARG A 81 -3.773 3.179 -12.530 1.00 34.33 N ATOM 0 H ARG A 81 -2.434 -1.205 -5.954 1.00 55.14 H new ATOM 0 HA ARG A 81 -2.922 -1.434 -8.845 1.00 72.31 H new ATOM 0 HB2 ARG A 81 -0.544 -0.097 -7.505 1.00 32.33 H new ATOM 0 HB3 ARG A 81 -0.420 -0.789 -9.110 1.00 32.33 H new ATOM 0 HG2 ARG A 81 -2.377 1.397 -8.290 1.00 3.50 H new ATOM 0 HG3 ARG A 81 -0.878 1.655 -9.160 1.00 3.50 H new ATOM 0 HD2 ARG A 81 -1.687 0.278 -11.040 1.00 44.53 H new ATOM 0 HD3 ARG A 81 -3.153 -0.110 -10.161 1.00 44.53 H new ATOM 0 HE ARG A 81 -3.438 2.532 -10.201 1.00 51.24 H new ATOM 0 HH11 ARG A 81 -2.109 0.500 -12.713 1.00 14.24 H new ATOM 0 HH12 ARG A 81 -2.703 1.546 -14.008 1.00 14.24 H new ATOM 0 HH21 ARG A 81 -4.186 3.813 -11.846 1.00 34.33 H new ATOM 0 HH22 ARG A 81 -3.853 3.381 -13.527 1.00 34.33 H new ATOM 1392 N LYS A 82 -1.711 -3.595 -8.917 1.00 63.33 N ATOM 1393 CA LYS A 82 -1.157 -4.950 -8.925 1.00 4.04 C ATOM 1394 C LYS A 82 0.280 -4.962 -9.467 1.00 23.22 C ATOM 1395 O LYS A 82 0.522 -4.598 -10.620 1.00 42.34 O ATOM 1396 CB LYS A 82 -2.053 -5.863 -9.771 1.00 52.00 C ATOM 1397 CG LYS A 82 -1.564 -7.305 -9.869 1.00 43.34 C ATOM 1398 CD LYS A 82 -2.459 -8.138 -10.785 1.00 10.03 C ATOM 1399 CE LYS A 82 -2.512 -7.567 -12.199 1.00 12.51 C ATOM 1400 NZ LYS A 82 -3.409 -8.351 -13.089 1.00 72.02 N ATOM 0 H LYS A 82 -2.213 -3.346 -9.769 1.00 63.33 H new ATOM 0 HA LYS A 82 -1.126 -5.318 -7.899 1.00 4.04 H new ATOM 0 HB2 LYS A 82 -3.058 -5.860 -9.348 1.00 52.00 H new ATOM 0 HB3 LYS A 82 -2.129 -5.448 -10.776 1.00 52.00 H new ATOM 0 HG2 LYS A 82 -0.542 -7.319 -10.247 1.00 43.34 H new ATOM 0 HG3 LYS A 82 -1.543 -7.752 -8.875 1.00 43.34 H new ATOM 0 HD2 LYS A 82 -2.089 -9.163 -10.821 1.00 10.03 H new ATOM 0 HD3 LYS A 82 -3.467 -8.177 -10.371 1.00 10.03 H new ATOM 0 HE2 LYS A 82 -2.856 -6.533 -12.159 1.00 12.51 H new ATOM 0 HE3 LYS A 82 -1.507 -7.552 -12.621 1.00 12.51 H new ATOM 0 HZ1 LYS A 82 -3.427 -7.917 -14.034 1.00 72.02 H new ATOM 0 HZ2 LYS A 82 -3.058 -9.327 -13.163 1.00 72.02 H new ATOM 0 HZ3 LYS A 82 -4.371 -8.358 -12.693 1.00 72.02 H new ATOM 1414 N VAL A 83 1.228 -5.388 -8.636 1.00 5.10 N ATOM 1415 CA VAL A 83 2.641 -5.431 -9.030 1.00 52.22 C ATOM 1416 C VAL A 83 3.229 -6.849 -8.908 1.00 11.41 C ATOM 1417 O VAL A 83 3.007 -7.547 -7.919 1.00 34.11 O ATOM 1418 CB VAL A 83 3.492 -4.449 -8.183 1.00 4.41 C ATOM 1419 CG1 VAL A 83 3.066 -3.004 -8.440 1.00 22.42 C ATOM 1420 CG2 VAL A 83 3.401 -4.782 -6.691 1.00 1.32 C ATOM 0 H VAL A 83 1.047 -5.709 -7.685 1.00 5.10 H new ATOM 0 HA VAL A 83 2.679 -5.128 -10.076 1.00 52.22 H new ATOM 0 HB VAL A 83 4.532 -4.560 -8.488 1.00 4.41 H new ATOM 0 HG11 VAL A 83 3.676 -2.332 -7.836 1.00 22.42 H new ATOM 0 HG12 VAL A 83 3.202 -2.767 -9.495 1.00 22.42 H new ATOM 0 HG13 VAL A 83 2.017 -2.881 -8.172 1.00 22.42 H new ATOM 0 HG21 VAL A 83 4.008 -4.077 -6.123 1.00 1.32 H new ATOM 0 HG22 VAL A 83 2.363 -4.712 -6.365 1.00 1.32 H new ATOM 0 HG23 VAL A 83 3.767 -5.794 -6.521 1.00 1.32 H new ATOM 1430 N THR A 84 3.976 -7.266 -9.927 1.00 11.24 N ATOM 1431 CA THR A 84 4.659 -8.570 -9.919 1.00 20.52 C ATOM 1432 C THR A 84 6.182 -8.393 -9.919 1.00 53.32 C ATOM 1433 O THR A 84 6.916 -9.196 -9.340 1.00 74.00 O ATOM 1434 CB THR A 84 4.255 -9.437 -11.137 1.00 2.44 C ATOM 1435 OG1 THR A 84 4.595 -8.765 -12.362 1.00 23.13 O ATOM 1436 CG2 THR A 84 2.761 -9.737 -11.122 1.00 14.12 C ATOM 0 H THR A 84 4.128 -6.721 -10.776 1.00 11.24 H new ATOM 0 HA THR A 84 4.350 -9.079 -9.006 1.00 20.52 H new ATOM 0 HB THR A 84 4.802 -10.378 -11.074 1.00 2.44 H new ATOM 0 HG1 THR A 84 4.336 -9.324 -13.124 1.00 23.13 H new ATOM 0 HG21 THR A 84 2.504 -10.347 -11.988 1.00 14.12 H new ATOM 0 HG22 THR A 84 2.507 -10.277 -10.210 1.00 14.12 H new ATOM 0 HG23 THR A 84 2.202 -8.802 -11.158 1.00 14.12 H new ATOM 1444 N SER A 85 6.649 -7.331 -10.576 1.00 34.40 N ATOM 1445 CA SER A 85 8.083 -7.012 -10.635 1.00 21.42 C ATOM 1446 C SER A 85 8.460 -5.945 -9.593 1.00 1.52 C ATOM 1447 O SER A 85 7.775 -4.929 -9.465 1.00 34.34 O ATOM 1448 CB SER A 85 8.463 -6.516 -12.042 1.00 23.41 C ATOM 1449 OG SER A 85 8.212 -7.511 -13.027 1.00 55.12 O ATOM 0 H SER A 85 6.055 -6.672 -11.078 1.00 34.40 H new ATOM 0 HA SER A 85 8.635 -7.925 -10.411 1.00 21.42 H new ATOM 0 HB2 SER A 85 7.895 -5.616 -12.278 1.00 23.41 H new ATOM 0 HB3 SER A 85 9.518 -6.241 -12.060 1.00 23.41 H new ATOM 0 HG SER A 85 8.461 -7.167 -13.910 1.00 55.12 H new ATOM 1455 N PRO A 86 9.567 -6.152 -8.842 1.00 65.10 N ATOM 1456 CA PRO A 86 10.022 -5.201 -7.802 1.00 41.13 C ATOM 1457 C PRO A 86 10.133 -3.752 -8.305 1.00 23.41 C ATOM 1458 O PRO A 86 9.824 -2.803 -7.578 1.00 41.41 O ATOM 1459 CB PRO A 86 11.405 -5.747 -7.412 1.00 34.54 C ATOM 1460 CG PRO A 86 11.326 -7.206 -7.707 1.00 15.42 C ATOM 1461 CD PRO A 86 10.456 -7.331 -8.932 1.00 53.24 C ATOM 0 HA PRO A 86 9.314 -5.142 -6.976 1.00 41.13 H new ATOM 0 HB2 PRO A 86 12.198 -5.268 -7.987 1.00 34.54 H new ATOM 0 HB3 PRO A 86 11.621 -5.566 -6.359 1.00 34.54 H new ATOM 0 HG2 PRO A 86 12.317 -7.623 -7.887 1.00 15.42 H new ATOM 0 HG3 PRO A 86 10.898 -7.752 -6.866 1.00 15.42 H new ATOM 0 HD2 PRO A 86 11.047 -7.320 -9.848 1.00 53.24 H new ATOM 0 HD3 PRO A 86 9.890 -8.262 -8.930 1.00 53.24 H new ATOM 1469 N ASP A 87 10.560 -3.591 -9.557 1.00 32.04 N ATOM 1470 CA ASP A 87 10.736 -2.261 -10.149 1.00 43.34 C ATOM 1471 C ASP A 87 9.409 -1.491 -10.246 1.00 72.12 C ATOM 1472 O ASP A 87 9.383 -0.262 -10.137 1.00 60.12 O ATOM 1473 CB ASP A 87 11.386 -2.371 -11.530 1.00 74.25 C ATOM 1474 CG ASP A 87 11.671 -1.005 -12.123 1.00 44.34 C ATOM 1475 OD1 ASP A 87 12.607 -0.329 -11.639 1.00 41.31 O ATOM 1476 OD2 ASP A 87 10.953 -0.589 -13.054 1.00 31.44 O ATOM 0 H ASP A 87 10.791 -4.363 -10.182 1.00 32.04 H new ATOM 0 HA ASP A 87 11.394 -1.698 -9.487 1.00 43.34 H new ATOM 0 HB2 ASP A 87 12.315 -2.935 -11.451 1.00 74.25 H new ATOM 0 HB3 ASP A 87 10.730 -2.929 -12.198 1.00 74.25 H new ATOM 1481 N GLU A 88 8.313 -2.217 -10.441 1.00 31.12 N ATOM 1482 CA GLU A 88 6.986 -1.602 -10.512 1.00 24.42 C ATOM 1483 C GLU A 88 6.634 -0.919 -9.188 1.00 34.04 C ATOM 1484 O GLU A 88 6.289 0.262 -9.156 1.00 21.35 O ATOM 1485 CB GLU A 88 5.935 -2.661 -10.860 1.00 1.15 C ATOM 1486 CG GLU A 88 6.232 -3.419 -12.148 1.00 50.11 C ATOM 1487 CD GLU A 88 6.195 -2.533 -13.385 1.00 45.11 C ATOM 1488 OE1 GLU A 88 7.234 -1.921 -13.725 1.00 21.31 O ATOM 1489 OE2 GLU A 88 5.131 -2.459 -14.035 1.00 35.22 O ATOM 0 H GLU A 88 8.314 -3.231 -10.553 1.00 31.12 H new ATOM 0 HA GLU A 88 6.997 -0.843 -11.295 1.00 24.42 H new ATOM 0 HB2 GLU A 88 5.864 -3.373 -10.038 1.00 1.15 H new ATOM 0 HB3 GLU A 88 4.962 -2.179 -10.949 1.00 1.15 H new ATOM 0 HG2 GLU A 88 7.215 -3.884 -12.071 1.00 50.11 H new ATOM 0 HG3 GLU A 88 5.507 -4.225 -12.264 1.00 50.11 H new ATOM 1496 N ALA A 89 6.736 -1.675 -8.092 1.00 42.42 N ATOM 1497 CA ALA A 89 6.529 -1.125 -6.748 1.00 32.42 C ATOM 1498 C ALA A 89 7.447 0.081 -6.508 1.00 45.13 C ATOM 1499 O ALA A 89 7.026 1.097 -5.951 1.00 44.11 O ATOM 1500 CB ALA A 89 6.769 -2.201 -5.693 1.00 51.42 C ATOM 0 H ALA A 89 6.961 -2.670 -8.108 1.00 42.42 H new ATOM 0 HA ALA A 89 5.496 -0.786 -6.669 1.00 32.42 H new ATOM 0 HB1 ALA A 89 6.612 -1.779 -4.700 1.00 51.42 H new ATOM 0 HB2 ALA A 89 6.075 -3.026 -5.850 1.00 51.42 H new ATOM 0 HB3 ALA A 89 7.792 -2.568 -5.773 1.00 51.42 H new ATOM 1506 N LYS A 90 8.702 -0.040 -6.947 1.00 13.14 N ATOM 1507 CA LYS A 90 9.661 1.069 -6.887 1.00 51.34 C ATOM 1508 C LYS A 90 9.099 2.338 -7.546 1.00 61.04 C ATOM 1509 O LYS A 90 9.105 3.420 -6.945 1.00 12.12 O ATOM 1510 CB LYS A 90 10.980 0.675 -7.572 1.00 22.44 C ATOM 1511 CG LYS A 90 11.824 -0.322 -6.785 1.00 3.40 C ATOM 1512 CD LYS A 90 13.052 -0.811 -7.569 1.00 72.25 C ATOM 1513 CE LYS A 90 13.949 0.329 -8.064 1.00 4.33 C ATOM 1514 NZ LYS A 90 13.401 1.015 -9.273 1.00 33.33 N ATOM 0 H LYS A 90 9.080 -0.898 -7.350 1.00 13.14 H new ATOM 0 HA LYS A 90 9.847 1.283 -5.834 1.00 51.34 H new ATOM 0 HB2 LYS A 90 10.755 0.250 -8.550 1.00 22.44 H new ATOM 0 HB3 LYS A 90 11.569 1.576 -7.744 1.00 22.44 H new ATOM 0 HG2 LYS A 90 12.153 0.142 -5.855 1.00 3.40 H new ATOM 0 HG3 LYS A 90 11.207 -1.179 -6.513 1.00 3.40 H new ATOM 0 HD2 LYS A 90 13.638 -1.476 -6.935 1.00 72.25 H new ATOM 0 HD3 LYS A 90 12.718 -1.399 -8.424 1.00 72.25 H new ATOM 0 HE2 LYS A 90 14.076 1.059 -7.264 1.00 4.33 H new ATOM 0 HE3 LYS A 90 14.938 -0.067 -8.294 1.00 4.33 H new ATOM 0 HZ1 LYS A 90 14.179 1.246 -9.924 1.00 33.33 H new ATOM 0 HZ2 LYS A 90 12.724 0.387 -9.751 1.00 33.33 H new ATOM 0 HZ3 LYS A 90 12.918 1.891 -8.986 1.00 33.33 H new ATOM 1528 N ARG A 91 8.611 2.206 -8.780 1.00 24.12 N ATOM 1529 CA ARG A 91 8.076 3.357 -9.506 1.00 4.12 C ATOM 1530 C ARG A 91 6.813 3.915 -8.834 1.00 54.03 C ATOM 1531 O ARG A 91 6.717 5.113 -8.611 1.00 44.44 O ATOM 1532 CB ARG A 91 7.763 3.013 -10.967 1.00 42.53 C ATOM 1533 CG ARG A 91 7.202 4.210 -11.733 1.00 64.23 C ATOM 1534 CD ARG A 91 6.769 3.875 -13.153 1.00 43.25 C ATOM 1535 NE ARG A 91 6.068 5.009 -13.758 1.00 15.13 N ATOM 1536 CZ ARG A 91 5.667 5.067 -14.997 1.00 5.12 C ATOM 1537 NH1 ARG A 91 5.898 4.093 -15.819 1.00 43.22 N ATOM 1538 NH2 ARG A 91 5.033 6.117 -15.408 1.00 11.51 N ATOM 0 H ARG A 91 8.575 1.325 -9.292 1.00 24.12 H new ATOM 0 HA ARG A 91 8.854 4.120 -9.484 1.00 4.12 H new ATOM 0 HB2 ARG A 91 8.670 2.662 -11.458 1.00 42.53 H new ATOM 0 HB3 ARG A 91 7.045 2.194 -11.000 1.00 42.53 H new ATOM 0 HG2 ARG A 91 6.349 4.613 -11.187 1.00 64.23 H new ATOM 0 HG3 ARG A 91 7.957 4.995 -11.768 1.00 64.23 H new ATOM 0 HD2 ARG A 91 7.641 3.617 -13.754 1.00 43.25 H new ATOM 0 HD3 ARG A 91 6.118 3.001 -13.144 1.00 43.25 H new ATOM 0 HE ARG A 91 5.879 5.816 -13.164 1.00 15.13 H new ATOM 0 HH11 ARG A 91 6.401 3.265 -15.500 1.00 43.22 H new ATOM 0 HH12 ARG A 91 5.577 4.154 -16.785 1.00 43.22 H new ATOM 0 HH21 ARG A 91 4.852 6.888 -14.765 1.00 11.51 H new ATOM 0 HH22 ARG A 91 4.714 6.174 -16.375 1.00 11.51 H new ATOM 1552 N TRP A 92 5.850 3.049 -8.514 1.00 71.31 N ATOM 1553 CA TRP A 92 4.574 3.492 -7.927 1.00 70.22 C ATOM 1554 C TRP A 92 4.777 4.326 -6.651 1.00 22.25 C ATOM 1555 O TRP A 92 4.084 5.325 -6.441 1.00 53.53 O ATOM 1556 CB TRP A 92 3.655 2.291 -7.655 1.00 3.22 C ATOM 1557 CG TRP A 92 3.068 1.704 -8.912 1.00 61.43 C ATOM 1558 CD1 TRP A 92 3.380 0.508 -9.494 1.00 31.43 C ATOM 1559 CD2 TRP A 92 2.070 2.306 -9.746 1.00 33.04 C ATOM 1560 NE1 TRP A 92 2.643 0.335 -10.641 1.00 12.11 N ATOM 1561 CE2 TRP A 92 1.830 1.423 -10.816 1.00 73.50 C ATOM 1562 CE3 TRP A 92 1.358 3.510 -9.694 1.00 23.13 C ATOM 1563 CZ2 TRP A 92 0.904 1.701 -11.818 1.00 22.43 C ATOM 1564 CZ3 TRP A 92 0.439 3.785 -10.689 1.00 43.12 C ATOM 1565 CH2 TRP A 92 0.221 2.885 -11.741 1.00 32.01 C ATOM 0 H TRP A 92 5.924 2.041 -8.649 1.00 71.31 H new ATOM 0 HA TRP A 92 4.093 4.141 -8.658 1.00 70.22 H new ATOM 0 HB2 TRP A 92 4.219 1.520 -7.129 1.00 3.22 H new ATOM 0 HB3 TRP A 92 2.846 2.601 -6.993 1.00 3.22 H new ATOM 0 HD1 TRP A 92 4.101 -0.198 -9.109 1.00 31.43 H new ATOM 0 HE1 TRP A 92 2.693 -0.473 -11.262 1.00 12.11 H new ATOM 0 HE3 TRP A 92 1.524 4.212 -8.890 1.00 23.13 H new ATOM 0 HZ2 TRP A 92 0.731 1.007 -12.627 1.00 22.43 H new ATOM 0 HZ3 TRP A 92 -0.120 4.708 -10.655 1.00 43.12 H new ATOM 0 HH2 TRP A 92 -0.500 3.130 -12.506 1.00 32.01 H new ATOM 1576 N ILE A 93 5.730 3.927 -5.807 1.00 61.42 N ATOM 1577 CA ILE A 93 6.084 4.723 -4.622 1.00 21.23 C ATOM 1578 C ILE A 93 6.619 6.108 -5.034 1.00 54.10 C ATOM 1579 O ILE A 93 6.268 7.132 -4.436 1.00 0.23 O ATOM 1580 CB ILE A 93 7.132 3.993 -3.740 1.00 54.43 C ATOM 1581 CG1 ILE A 93 6.535 2.686 -3.187 1.00 73.21 C ATOM 1582 CG2 ILE A 93 7.614 4.894 -2.602 1.00 1.33 C ATOM 1583 CD1 ILE A 93 7.486 1.893 -2.317 1.00 15.52 C ATOM 0 H ILE A 93 6.268 3.067 -5.916 1.00 61.42 H new ATOM 0 HA ILE A 93 5.175 4.854 -4.035 1.00 21.23 H new ATOM 0 HB ILE A 93 7.996 3.750 -4.358 1.00 54.43 H new ATOM 0 HG12 ILE A 93 5.642 2.923 -2.609 1.00 73.21 H new ATOM 0 HG13 ILE A 93 6.217 2.062 -4.022 1.00 73.21 H new ATOM 0 HG21 ILE A 93 8.347 4.358 -1.999 1.00 1.33 H new ATOM 0 HG22 ILE A 93 8.072 5.792 -3.018 1.00 1.33 H new ATOM 0 HG23 ILE A 93 6.767 5.175 -1.977 1.00 1.33 H new ATOM 0 HD11 ILE A 93 6.990 0.988 -1.967 1.00 15.52 H new ATOM 0 HD12 ILE A 93 8.369 1.623 -2.896 1.00 15.52 H new ATOM 0 HD13 ILE A 93 7.785 2.497 -1.460 1.00 15.52 H new ATOM 1595 N LYS A 94 7.459 6.132 -6.069 1.00 74.32 N ATOM 1596 CA LYS A 94 7.958 7.390 -6.641 1.00 61.30 C ATOM 1597 C LYS A 94 6.807 8.266 -7.169 1.00 71.32 C ATOM 1598 O LYS A 94 6.631 9.404 -6.732 1.00 4.01 O ATOM 1599 CB LYS A 94 8.954 7.086 -7.775 1.00 63.11 C ATOM 1600 CG LYS A 94 9.266 8.285 -8.665 1.00 34.54 C ATOM 1601 CD LYS A 94 10.162 7.902 -9.838 1.00 30.33 C ATOM 1602 CE LYS A 94 10.277 9.036 -10.847 1.00 34.41 C ATOM 1603 NZ LYS A 94 8.959 9.388 -11.439 1.00 45.03 N ATOM 0 H LYS A 94 7.811 5.294 -6.532 1.00 74.32 H new ATOM 0 HA LYS A 94 8.462 7.945 -5.850 1.00 61.30 H new ATOM 0 HB2 LYS A 94 9.883 6.718 -7.340 1.00 63.11 H new ATOM 0 HB3 LYS A 94 8.552 6.283 -8.393 1.00 63.11 H new ATOM 0 HG2 LYS A 94 8.336 8.710 -9.042 1.00 34.54 H new ATOM 0 HG3 LYS A 94 9.753 9.060 -8.073 1.00 34.54 H new ATOM 0 HD2 LYS A 94 11.154 7.640 -9.469 1.00 30.33 H new ATOM 0 HD3 LYS A 94 9.760 7.016 -10.329 1.00 30.33 H new ATOM 0 HE2 LYS A 94 10.702 9.914 -10.360 1.00 34.41 H new ATOM 0 HE3 LYS A 94 10.966 8.747 -11.641 1.00 34.41 H new ATOM 0 HZ1 LYS A 94 9.056 9.483 -12.470 1.00 45.03 H new ATOM 0 HZ2 LYS A 94 8.270 8.639 -11.223 1.00 45.03 H new ATOM 0 HZ3 LYS A 94 8.628 10.289 -11.038 1.00 45.03 H new ATOM 1617 N GLU A 95 6.010 7.716 -8.087 1.00 72.13 N ATOM 1618 CA GLU A 95 4.874 8.439 -8.677 1.00 11.12 C ATOM 1619 C GLU A 95 3.946 8.992 -7.583 1.00 0.51 C ATOM 1620 O GLU A 95 3.505 10.141 -7.641 1.00 63.11 O ATOM 1621 CB GLU A 95 4.069 7.504 -9.600 1.00 11.31 C ATOM 1622 CG GLU A 95 4.904 6.744 -10.632 1.00 43.44 C ATOM 1623 CD GLU A 95 5.479 7.623 -11.734 1.00 65.01 C ATOM 1624 OE1 GLU A 95 6.524 8.267 -11.511 1.00 34.44 O ATOM 1625 OE2 GLU A 95 4.903 7.646 -12.847 1.00 3.23 O ATOM 0 H GLU A 95 6.129 6.767 -8.442 1.00 72.13 H new ATOM 0 HA GLU A 95 5.272 9.272 -9.256 1.00 11.12 H new ATOM 0 HB2 GLU A 95 3.534 6.782 -8.984 1.00 11.31 H new ATOM 0 HB3 GLU A 95 3.318 8.094 -10.125 1.00 11.31 H new ATOM 0 HG2 GLU A 95 5.723 6.239 -10.120 1.00 43.44 H new ATOM 0 HG3 GLU A 95 4.285 5.969 -11.085 1.00 43.44 H new ATOM 1632 N PHE A 96 3.671 8.160 -6.579 1.00 74.12 N ATOM 1633 CA PHE A 96 2.776 8.525 -5.474 1.00 14.23 C ATOM 1634 C PHE A 96 3.321 9.717 -4.665 1.00 53.35 C ATOM 1635 O PHE A 96 2.573 10.627 -4.303 1.00 60.43 O ATOM 1636 CB PHE A 96 2.568 7.312 -4.557 1.00 33.15 C ATOM 1637 CG PHE A 96 1.509 7.513 -3.501 1.00 41.11 C ATOM 1638 CD1 PHE A 96 0.169 7.596 -3.854 1.00 1.12 C ATOM 1639 CD2 PHE A 96 1.850 7.611 -2.159 1.00 44.24 C ATOM 1640 CE1 PHE A 96 -0.806 7.775 -2.892 1.00 14.02 C ATOM 1641 CE2 PHE A 96 0.878 7.788 -1.194 1.00 54.32 C ATOM 1642 CZ PHE A 96 -0.451 7.869 -1.562 1.00 64.41 C ATOM 0 H PHE A 96 4.058 7.219 -6.506 1.00 74.12 H new ATOM 0 HA PHE A 96 1.821 8.831 -5.901 1.00 14.23 H new ATOM 0 HB2 PHE A 96 2.298 6.450 -5.168 1.00 33.15 H new ATOM 0 HB3 PHE A 96 3.513 7.073 -4.068 1.00 33.15 H new ATOM 0 HD1 PHE A 96 -0.115 7.520 -4.893 1.00 1.12 H new ATOM 0 HD2 PHE A 96 2.888 7.548 -1.866 1.00 44.24 H new ATOM 0 HE1 PHE A 96 -1.845 7.841 -3.180 1.00 14.02 H new ATOM 0 HE2 PHE A 96 1.157 7.863 -0.153 1.00 54.32 H new ATOM 0 HZ PHE A 96 -1.212 8.006 -0.808 1.00 64.41 H new ATOM 1652 N SER A 97 4.626 9.710 -4.390 1.00 33.40 N ATOM 1653 CA SER A 97 5.268 10.816 -3.657 1.00 14.12 C ATOM 1654 C SER A 97 5.229 12.116 -4.472 1.00 3.33 C ATOM 1655 O SER A 97 5.210 13.214 -3.910 1.00 22.11 O ATOM 1656 CB SER A 97 6.725 10.476 -3.298 1.00 21.12 C ATOM 1657 OG SER A 97 7.539 10.357 -4.455 1.00 5.45 O ATOM 0 H SER A 97 5.261 8.958 -4.659 1.00 33.40 H new ATOM 0 HA SER A 97 4.704 10.960 -2.735 1.00 14.12 H new ATOM 0 HB2 SER A 97 7.129 11.251 -2.647 1.00 21.12 H new ATOM 0 HB3 SER A 97 6.753 9.542 -2.737 1.00 21.12 H new ATOM 0 HG SER A 97 7.040 9.894 -5.160 1.00 5.45 H new ATOM 1663 N GLU A 98 5.219 11.987 -5.799 1.00 14.45 N ATOM 1664 CA GLU A 98 5.130 13.151 -6.689 1.00 13.30 C ATOM 1665 C GLU A 98 3.691 13.687 -6.784 1.00 43.40 C ATOM 1666 O GLU A 98 3.470 14.807 -7.248 1.00 61.15 O ATOM 1667 CB GLU A 98 5.652 12.797 -8.086 1.00 62.53 C ATOM 1668 CG GLU A 98 7.092 12.297 -8.089 1.00 4.52 C ATOM 1669 CD GLU A 98 7.654 12.112 -9.488 1.00 24.24 C ATOM 1670 OE1 GLU A 98 7.317 11.108 -10.145 1.00 32.04 O ATOM 1671 OE2 GLU A 98 8.447 12.968 -9.934 1.00 3.40 O ATOM 0 H GLU A 98 5.271 11.091 -6.283 1.00 14.45 H new ATOM 0 HA GLU A 98 5.752 13.938 -6.262 1.00 13.30 H new ATOM 0 HB2 GLU A 98 5.009 12.032 -8.522 1.00 62.53 H new ATOM 0 HB3 GLU A 98 5.580 13.677 -8.726 1.00 62.53 H new ATOM 0 HG2 GLU A 98 7.717 13.004 -7.543 1.00 4.52 H new ATOM 0 HG3 GLU A 98 7.142 11.348 -7.555 1.00 4.52 H new