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 -135:sc= -0.0267 (180deg=-1.55!) 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 -135:sc= 0.437 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc=-0.00534 (180deg=-0.106) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0.362 (180deg=0.327) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0791) USER MOD Single : A 21 MET CE :methyl -157:sc= -0.167 (180deg=-0.879) USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= 1.27 (180deg=-0.37) USER MOD Single : A 26 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.51) USER MOD Single : A 31 THR OG1 : rot 38:sc= 0.464 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= -0.158 (180deg=-0.206) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0415) USER MOD Single : A 41 TYR OH : rot -150:sc= 0.391 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0541) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0498 K(o=-0.05,f=-0.58) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.914) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.16) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= 1 (180deg=0.599) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 73 LYS NZ :NH3+ -126:sc= 0.911 (180deg=-0.255) USER MOD Single : A 74 MET CE :methyl 153:sc= -1.06 (180deg=-3.1!) USER MOD Single : A 80 THR OG1 : rot 40:sc= 0.0274 USER MOD Single : A 82 LYS NZ :NH3+ -132:sc= 0.978 (180deg=-0.717!) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.1) USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= 1.04 (180deg=-0.685) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.295 17.092 4.467 1.00 11.12 N ATOM 2 CA MET A 1 -1.027 16.006 3.764 1.00 43.53 C ATOM 3 C MET A 1 -0.374 14.641 4.046 1.00 11.11 C ATOM 4 O MET A 1 0.809 14.449 3.779 1.00 75.22 O ATOM 5 CB MET A 1 -1.048 16.284 2.252 1.00 34.52 C ATOM 6 CG MET A 1 -1.981 15.369 1.471 1.00 1.11 C ATOM 7 SD MET A 1 -3.707 15.601 1.934 1.00 31.12 S ATOM 8 CE MET A 1 -4.520 14.450 0.830 1.00 11.25 C ATOM 0 H1 MET A 1 -0.750 18.005 4.265 1.00 11.12 H new ATOM 0 H2 MET A 1 -0.313 16.916 5.492 1.00 11.12 H new ATOM 0 H3 MET A 1 0.691 17.116 4.137 1.00 11.12 H new ATOM 0 HA MET A 1 -2.051 15.978 4.135 1.00 43.53 H new ATOM 0 HB2 MET A 1 -1.347 17.319 2.087 1.00 34.52 H new ATOM 0 HB3 MET A 1 -0.037 16.178 1.859 1.00 34.52 H new ATOM 0 HG2 MET A 1 -1.864 15.559 0.404 1.00 1.11 H new ATOM 0 HG3 MET A 1 -1.697 14.331 1.643 1.00 1.11 H new ATOM 0 HE1 MET A 1 -5.393 14.928 0.385 1.00 11.25 H new ATOM 0 HE2 MET A 1 -3.829 14.151 0.042 1.00 11.25 H new ATOM 0 HE3 MET A 1 -4.834 13.569 1.390 1.00 11.25 H new ATOM 20 N LEU A 2 -1.148 13.700 4.586 1.00 25.43 N ATOM 21 CA LEU A 2 -0.622 12.377 4.952 1.00 34.53 C ATOM 22 C LEU A 2 -0.602 11.420 3.746 1.00 30.11 C ATOM 23 O LEU A 2 -1.613 11.238 3.064 1.00 42.15 O ATOM 24 CB LEU A 2 -1.453 11.747 6.088 1.00 63.32 C ATOM 25 CG LEU A 2 -1.537 12.552 7.401 1.00 71.41 C ATOM 26 CD1 LEU A 2 -2.560 13.683 7.296 1.00 43.30 C ATOM 27 CD2 LEU A 2 -1.871 11.633 8.574 1.00 55.01 C ATOM 0 H LEU A 2 -2.141 13.825 4.781 1.00 25.43 H new ATOM 0 HA LEU A 2 0.402 12.528 5.294 1.00 34.53 H new ATOM 0 HB2 LEU A 2 -2.466 11.585 5.721 1.00 63.32 H new ATOM 0 HB3 LEU A 2 -1.035 10.766 6.314 1.00 63.32 H new ATOM 0 HG LEU A 2 -0.560 13.002 7.579 1.00 71.41 H new ATOM 0 HD11 LEU A 2 -2.595 14.231 8.238 1.00 43.30 H new ATOM 0 HD12 LEU A 2 -2.272 14.361 6.492 1.00 43.30 H new ATOM 0 HD13 LEU A 2 -3.544 13.265 7.083 1.00 43.30 H new ATOM 0 HD21 LEU A 2 -1.926 12.219 9.491 1.00 55.01 H new ATOM 0 HD22 LEU A 2 -2.831 11.149 8.395 1.00 55.01 H new ATOM 0 HD23 LEU A 2 -1.095 10.874 8.674 1.00 55.01 H new ATOM 39 N LEU A 3 0.551 10.803 3.499 1.00 53.02 N ATOM 40 CA LEU A 3 0.699 9.825 2.410 1.00 12.22 C ATOM 41 C LEU A 3 1.301 8.507 2.934 1.00 74.12 C ATOM 42 O LEU A 3 2.454 8.461 3.368 1.00 32.21 O ATOM 43 CB LEU A 3 1.574 10.411 1.287 1.00 23.34 C ATOM 44 CG LEU A 3 0.964 11.609 0.529 1.00 2.42 C ATOM 45 CD1 LEU A 3 1.996 12.254 -0.392 1.00 3.44 C ATOM 46 CD2 LEU A 3 -0.261 11.173 -0.272 1.00 1.21 C ATOM 0 H LEU A 3 1.403 10.960 4.037 1.00 53.02 H new ATOM 0 HA LEU A 3 -0.289 9.606 2.006 1.00 12.22 H new ATOM 0 HB2 LEU A 3 2.527 10.721 1.716 1.00 23.34 H new ATOM 0 HB3 LEU A 3 1.791 9.621 0.569 1.00 23.34 H new ATOM 0 HG LEU A 3 0.652 12.349 1.266 1.00 2.42 H new ATOM 0 HD11 LEU A 3 1.542 13.096 -0.915 1.00 3.44 H new ATOM 0 HD12 LEU A 3 2.841 12.607 0.199 1.00 3.44 H new ATOM 0 HD13 LEU A 3 2.344 11.520 -1.119 1.00 3.44 H new ATOM 0 HD21 LEU A 3 -0.676 12.032 -0.799 1.00 1.21 H new ATOM 0 HD22 LEU A 3 0.029 10.410 -0.994 1.00 1.21 H new ATOM 0 HD23 LEU A 3 -1.012 10.765 0.405 1.00 1.21 H new ATOM 58 N TYR A 4 0.503 7.437 2.896 1.00 22.44 N ATOM 59 CA TYR A 4 0.920 6.121 3.403 1.00 52.41 C ATOM 60 C TYR A 4 0.971 5.070 2.279 1.00 4.51 C ATOM 61 O TYR A 4 0.317 5.217 1.246 1.00 33.03 O ATOM 62 CB TYR A 4 -0.038 5.653 4.513 1.00 42.20 C ATOM 63 CG TYR A 4 0.144 6.376 5.838 1.00 51.11 C ATOM 64 CD1 TYR A 4 -0.233 7.706 5.999 1.00 24.15 C ATOM 65 CD2 TYR A 4 0.697 5.718 6.932 1.00 33.43 C ATOM 66 CE1 TYR A 4 -0.061 8.356 7.209 1.00 30.33 C ATOM 67 CE2 TYR A 4 0.870 6.361 8.141 1.00 44.10 C ATOM 68 CZ TYR A 4 0.492 7.678 8.275 1.00 12.24 C ATOM 69 OH TYR A 4 0.670 8.319 9.482 1.00 1.14 O ATOM 0 H TYR A 4 -0.444 7.454 2.517 1.00 22.44 H new ATOM 0 HA TYR A 4 1.925 6.227 3.810 1.00 52.41 H new ATOM 0 HB2 TYR A 4 -1.065 5.792 4.174 1.00 42.20 H new ATOM 0 HB3 TYR A 4 0.103 4.584 4.673 1.00 42.20 H new ATOM 0 HD1 TYR A 4 -0.667 8.240 5.166 1.00 24.15 H new ATOM 0 HD2 TYR A 4 0.996 4.685 6.833 1.00 33.43 H new ATOM 0 HE1 TYR A 4 -0.358 9.389 7.318 1.00 30.33 H new ATOM 0 HE2 TYR A 4 1.300 5.833 8.979 1.00 44.10 H new ATOM 0 HH TYR A 4 1.070 7.698 10.126 1.00 1.14 H new ATOM 79 N VAL A 5 1.746 4.006 2.493 1.00 33.21 N ATOM 80 CA VAL A 5 1.897 2.938 1.494 1.00 15.23 C ATOM 81 C VAL A 5 1.759 1.540 2.130 1.00 53.54 C ATOM 82 O VAL A 5 2.451 1.210 3.095 1.00 23.10 O ATOM 83 CB VAL A 5 3.273 3.027 0.775 1.00 34.15 C ATOM 84 CG1 VAL A 5 3.430 1.905 -0.253 1.00 4.22 C ATOM 85 CG2 VAL A 5 3.461 4.394 0.115 1.00 63.42 C ATOM 0 H VAL A 5 2.281 3.857 3.349 1.00 33.21 H new ATOM 0 HA VAL A 5 1.097 3.080 0.767 1.00 15.23 H new ATOM 0 HB VAL A 5 4.050 2.906 1.530 1.00 34.15 H new ATOM 0 HG11 VAL A 5 4.401 1.992 -0.741 1.00 4.22 H new ATOM 0 HG12 VAL A 5 3.360 0.940 0.248 1.00 4.22 H new ATOM 0 HG13 VAL A 5 2.640 1.983 -1.000 1.00 4.22 H new ATOM 0 HG21 VAL A 5 4.431 4.429 -0.380 1.00 63.42 H new ATOM 0 HG22 VAL A 5 2.672 4.555 -0.620 1.00 63.42 H new ATOM 0 HG23 VAL A 5 3.413 5.174 0.875 1.00 63.42 H new ATOM 95 N LEU A 6 0.860 0.723 1.579 1.00 72.01 N ATOM 96 CA LEU A 6 0.683 -0.670 2.016 1.00 44.24 C ATOM 97 C LEU A 6 1.142 -1.645 0.921 1.00 50.42 C ATOM 98 O LEU A 6 0.723 -1.538 -0.232 1.00 5.42 O ATOM 99 CB LEU A 6 -0.789 -0.950 2.354 1.00 30.35 C ATOM 100 CG LEU A 6 -1.370 -0.145 3.525 1.00 22.40 C ATOM 101 CD1 LEU A 6 -2.840 -0.499 3.743 1.00 74.01 C ATOM 102 CD2 LEU A 6 -0.561 -0.376 4.801 1.00 15.11 C ATOM 0 H LEU A 6 0.236 1.002 0.822 1.00 72.01 H new ATOM 0 HA LEU A 6 1.292 -0.817 2.908 1.00 44.24 H new ATOM 0 HB2 LEU A 6 -1.390 -0.751 1.467 1.00 30.35 H new ATOM 0 HB3 LEU A 6 -0.895 -2.011 2.579 1.00 30.35 H new ATOM 0 HG LEU A 6 -1.306 0.914 3.274 1.00 22.40 H new ATOM 0 HD11 LEU A 6 -3.234 0.082 4.577 1.00 74.01 H new ATOM 0 HD12 LEU A 6 -3.407 -0.270 2.841 1.00 74.01 H new ATOM 0 HD13 LEU A 6 -2.929 -1.562 3.967 1.00 74.01 H new ATOM 0 HD21 LEU A 6 -0.993 0.205 5.616 1.00 15.11 H new ATOM 0 HD22 LEU A 6 -0.583 -1.435 5.059 1.00 15.11 H new ATOM 0 HD23 LEU A 6 0.471 -0.063 4.639 1.00 15.11 H new ATOM 114 N ILE A 7 1.997 -2.597 1.280 1.00 10.54 N ATOM 115 CA ILE A 7 2.475 -3.597 0.317 1.00 51.11 C ATOM 116 C ILE A 7 1.981 -5.010 0.681 1.00 22.03 C ATOM 117 O ILE A 7 2.275 -5.529 1.759 1.00 33.42 O ATOM 118 CB ILE A 7 4.024 -3.588 0.206 1.00 74.44 C ATOM 119 CG1 ILE A 7 4.499 -4.633 -0.819 1.00 31.22 C ATOM 120 CG2 ILE A 7 4.678 -3.825 1.569 1.00 65.25 C ATOM 121 CD1 ILE A 7 5.999 -4.656 -1.019 1.00 12.40 C ATOM 0 H ILE A 7 2.374 -2.702 2.222 1.00 10.54 H new ATOM 0 HA ILE A 7 2.060 -3.325 -0.653 1.00 51.11 H new ATOM 0 HB ILE A 7 4.331 -2.602 -0.142 1.00 74.44 H new ATOM 0 HG12 ILE A 7 4.170 -5.621 -0.496 1.00 31.22 H new ATOM 0 HG13 ILE A 7 4.017 -4.434 -1.776 1.00 31.22 H new ATOM 0 HG21 ILE A 7 5.762 -3.813 1.459 1.00 65.25 H new ATOM 0 HG22 ILE A 7 4.375 -3.038 2.260 1.00 65.25 H new ATOM 0 HG23 ILE A 7 4.363 -4.793 1.960 1.00 65.25 H new ATOM 0 HD11 ILE A 7 6.256 -5.417 -1.755 1.00 12.40 H new ATOM 0 HD12 ILE A 7 6.334 -3.681 -1.373 1.00 12.40 H new ATOM 0 HD13 ILE A 7 6.489 -4.886 -0.073 1.00 12.40 H new ATOM 133 N ILE A 8 1.215 -5.618 -0.222 1.00 12.22 N ATOM 134 CA ILE A 8 0.704 -6.977 -0.021 1.00 33.10 C ATOM 135 C ILE A 8 1.469 -7.980 -0.902 1.00 42.02 C ATOM 136 O ILE A 8 1.254 -8.050 -2.115 1.00 71.31 O ATOM 137 CB ILE A 8 -0.812 -7.059 -0.352 1.00 34.33 C ATOM 138 CG1 ILE A 8 -1.591 -5.996 0.445 1.00 61.21 C ATOM 139 CG2 ILE A 8 -1.353 -8.460 -0.059 1.00 63.15 C ATOM 140 CD1 ILE A 8 -3.080 -5.980 0.171 1.00 1.31 C ATOM 0 H ILE A 8 0.932 -5.191 -1.104 1.00 12.22 H new ATOM 0 HA ILE A 8 0.852 -7.230 1.029 1.00 33.10 H new ATOM 0 HB ILE A 8 -0.946 -6.860 -1.415 1.00 34.33 H new ATOM 0 HG12 ILE A 8 -1.431 -6.167 1.510 1.00 61.21 H new ATOM 0 HG13 ILE A 8 -1.180 -5.013 0.215 1.00 61.21 H new ATOM 0 HG21 ILE A 8 -2.416 -8.497 -0.297 1.00 63.15 H new ATOM 0 HG22 ILE A 8 -0.819 -9.191 -0.667 1.00 63.15 H new ATOM 0 HG23 ILE A 8 -1.210 -8.692 0.996 1.00 63.15 H new ATOM 0 HD11 ILE A 8 -3.552 -5.203 0.772 1.00 1.31 H new ATOM 0 HD12 ILE A 8 -3.253 -5.777 -0.886 1.00 1.31 H new ATOM 0 HD13 ILE A 8 -3.508 -6.949 0.429 1.00 1.31 H new ATOM 152 N SER A 9 2.366 -8.747 -0.286 1.00 75.33 N ATOM 153 CA SER A 9 3.189 -9.718 -1.021 1.00 42.05 C ATOM 154 C SER A 9 3.790 -10.778 -0.092 1.00 13.41 C ATOM 155 O SER A 9 3.898 -10.579 1.121 1.00 73.20 O ATOM 156 CB SER A 9 4.322 -9.006 -1.780 1.00 34.13 C ATOM 157 OG SER A 9 5.148 -9.938 -2.470 1.00 52.11 O ATOM 0 H SER A 9 2.545 -8.719 0.718 1.00 75.33 H new ATOM 0 HA SER A 9 2.530 -10.218 -1.731 1.00 42.05 H new ATOM 0 HB2 SER A 9 3.897 -8.297 -2.491 1.00 34.13 H new ATOM 0 HB3 SER A 9 4.927 -8.430 -1.079 1.00 34.13 H new ATOM 0 HG SER A 9 6.090 -9.709 -2.326 1.00 52.11 H new ATOM 163 N ASN A 10 4.172 -11.908 -0.674 1.00 45.02 N ATOM 164 CA ASN A 10 4.884 -12.962 0.053 1.00 34.22 C ATOM 165 C ASN A 10 6.369 -12.988 -0.349 1.00 4.55 C ATOM 166 O ASN A 10 7.175 -13.702 0.251 1.00 20.43 O ATOM 167 CB ASN A 10 4.247 -14.326 -0.229 1.00 52.41 C ATOM 168 CG ASN A 10 2.780 -14.372 0.152 1.00 63.21 C ATOM 169 OD1 ASN A 10 1.904 -14.080 -0.655 1.00 0.41 O ATOM 170 ND2 ASN A 10 2.499 -14.733 1.386 1.00 21.41 N ATOM 0 H ASN A 10 4.001 -12.123 -1.656 1.00 45.02 H new ATOM 0 HA ASN A 10 4.812 -12.749 1.120 1.00 34.22 H new ATOM 0 HB2 ASN A 10 4.351 -14.560 -1.288 1.00 52.41 H new ATOM 0 HB3 ASN A 10 4.786 -15.096 0.322 1.00 52.41 H new ATOM 0 HD21 ASN A 10 1.528 -14.776 1.696 1.00 21.41 H new ATOM 0 HD22 ASN A 10 3.252 -14.970 2.032 1.00 21.41 H new ATOM 177 N ASP A 11 6.716 -12.202 -1.366 1.00 44.45 N ATOM 178 CA ASP A 11 8.084 -12.155 -1.891 1.00 60.01 C ATOM 179 C ASP A 11 8.950 -11.141 -1.119 1.00 24.31 C ATOM 180 O ASP A 11 8.839 -9.927 -1.314 1.00 74.54 O ATOM 181 CB ASP A 11 8.042 -11.812 -3.384 1.00 43.21 C ATOM 182 CG ASP A 11 7.372 -12.903 -4.206 1.00 54.54 C ATOM 183 OD1 ASP A 11 6.138 -13.069 -4.098 1.00 51.21 O ATOM 184 OD2 ASP A 11 8.081 -13.615 -4.951 1.00 43.42 O ATOM 0 H ASP A 11 6.064 -11.583 -1.848 1.00 44.45 H new ATOM 0 HA ASP A 11 8.543 -13.135 -1.758 1.00 60.01 H new ATOM 0 HB2 ASP A 11 7.506 -10.873 -3.524 1.00 43.21 H new ATOM 0 HB3 ASP A 11 9.058 -11.657 -3.748 1.00 43.21 H new ATOM 189 N LYS A 12 9.823 -11.657 -0.249 1.00 65.54 N ATOM 190 CA LYS A 12 10.646 -10.819 0.635 1.00 12.34 C ATOM 191 C LYS A 12 11.504 -9.798 -0.134 1.00 62.23 C ATOM 192 O LYS A 12 11.530 -8.619 0.217 1.00 44.24 O ATOM 193 CB LYS A 12 11.541 -11.703 1.518 1.00 14.15 C ATOM 194 CG LYS A 12 10.766 -12.558 2.518 1.00 4.20 C ATOM 195 CD LYS A 12 9.996 -11.701 3.522 1.00 42.43 C ATOM 196 CE LYS A 12 9.169 -12.550 4.484 1.00 42.44 C ATOM 197 NZ LYS A 12 10.014 -13.464 5.297 1.00 14.43 N ATOM 0 H LYS A 12 9.980 -12.658 -0.136 1.00 65.54 H new ATOM 0 HA LYS A 12 9.959 -10.248 1.259 1.00 12.34 H new ATOM 0 HB2 LYS A 12 12.135 -12.356 0.879 1.00 14.15 H new ATOM 0 HB3 LYS A 12 12.240 -11.068 2.062 1.00 14.15 H new ATOM 0 HG2 LYS A 12 10.070 -13.203 1.982 1.00 4.20 H new ATOM 0 HG3 LYS A 12 11.458 -13.210 3.052 1.00 4.20 H new ATOM 0 HD2 LYS A 12 10.697 -11.090 4.090 1.00 42.43 H new ATOM 0 HD3 LYS A 12 9.339 -11.017 2.985 1.00 42.43 H new ATOM 0 HE2 LYS A 12 8.602 -11.896 5.147 1.00 42.44 H new ATOM 0 HE3 LYS A 12 8.445 -13.135 3.918 1.00 42.44 H new ATOM 0 HZ1 LYS A 12 9.430 -13.920 6.026 1.00 14.43 H new ATOM 0 HZ2 LYS A 12 10.430 -14.192 4.681 1.00 14.43 H new ATOM 0 HZ3 LYS A 12 10.774 -12.920 5.753 1.00 14.43 H new ATOM 211 N LYS A 13 12.195 -10.244 -1.184 1.00 21.51 N ATOM 212 CA LYS A 13 13.076 -9.354 -1.958 1.00 60.21 C ATOM 213 C LYS A 13 12.299 -8.205 -2.613 1.00 25.03 C ATOM 214 O LYS A 13 12.813 -7.090 -2.735 1.00 43.51 O ATOM 215 CB LYS A 13 13.857 -10.145 -3.017 1.00 13.32 C ATOM 216 CG LYS A 13 14.851 -11.134 -2.414 1.00 63.24 C ATOM 217 CD LYS A 13 15.824 -10.438 -1.467 1.00 52.44 C ATOM 218 CE LYS A 13 16.684 -11.430 -0.696 1.00 10.54 C ATOM 219 NZ LYS A 13 17.484 -10.756 0.359 1.00 30.42 N ATOM 0 H LYS A 13 12.166 -11.207 -1.520 1.00 21.51 H new ATOM 0 HA LYS A 13 13.784 -8.914 -1.256 1.00 60.21 H new ATOM 0 HB2 LYS A 13 13.153 -10.686 -3.649 1.00 13.32 H new ATOM 0 HB3 LYS A 13 14.393 -9.448 -3.661 1.00 13.32 H new ATOM 0 HG2 LYS A 13 14.311 -11.912 -1.875 1.00 63.24 H new ATOM 0 HG3 LYS A 13 15.407 -11.626 -3.212 1.00 63.24 H new ATOM 0 HD2 LYS A 13 16.468 -9.768 -2.038 1.00 52.44 H new ATOM 0 HD3 LYS A 13 15.265 -9.821 -0.764 1.00 52.44 H new ATOM 0 HE2 LYS A 13 16.047 -12.188 -0.241 1.00 10.54 H new ATOM 0 HE3 LYS A 13 17.352 -11.946 -1.386 1.00 10.54 H new ATOM 0 HZ1 LYS A 13 17.939 -11.472 0.961 1.00 30.42 H new ATOM 0 HZ2 LYS A 13 18.214 -10.163 -0.085 1.00 30.42 H new ATOM 0 HZ3 LYS A 13 16.860 -10.161 0.940 1.00 30.42 H new ATOM 233 N LEU A 14 11.058 -8.474 -3.019 1.00 52.45 N ATOM 234 CA LEU A 14 10.193 -7.434 -3.583 1.00 51.25 C ATOM 235 C LEU A 14 9.814 -6.414 -2.494 1.00 64.53 C ATOM 236 O LEU A 14 9.802 -5.203 -2.732 1.00 71.41 O ATOM 237 CB LEU A 14 8.939 -8.076 -4.216 1.00 71.23 C ATOM 238 CG LEU A 14 8.001 -7.126 -4.996 1.00 1.12 C ATOM 239 CD1 LEU A 14 7.247 -7.890 -6.084 1.00 42.12 C ATOM 240 CD2 LEU A 14 7.007 -6.438 -4.057 1.00 0.54 C ATOM 0 H LEU A 14 10.629 -9.398 -2.969 1.00 52.45 H new ATOM 0 HA LEU A 14 10.731 -6.902 -4.368 1.00 51.25 H new ATOM 0 HB2 LEU A 14 9.264 -8.867 -4.892 1.00 71.23 H new ATOM 0 HB3 LEU A 14 8.362 -8.552 -3.423 1.00 71.23 H new ATOM 0 HG LEU A 14 8.619 -6.360 -5.464 1.00 1.12 H new ATOM 0 HD11 LEU A 14 6.592 -7.205 -6.622 1.00 42.12 H new ATOM 0 HD12 LEU A 14 7.961 -8.331 -6.780 1.00 42.12 H new ATOM 0 HD13 LEU A 14 6.650 -8.679 -5.627 1.00 42.12 H new ATOM 0 HD21 LEU A 14 6.360 -5.776 -4.633 1.00 0.54 H new ATOM 0 HD22 LEU A 14 6.400 -7.191 -3.555 1.00 0.54 H new ATOM 0 HD23 LEU A 14 7.552 -5.856 -3.314 1.00 0.54 H new ATOM 252 N ILE A 15 9.518 -6.916 -1.294 1.00 75.15 N ATOM 253 CA ILE A 15 9.224 -6.055 -0.142 1.00 73.11 C ATOM 254 C ILE A 15 10.445 -5.195 0.237 1.00 25.32 C ATOM 255 O ILE A 15 10.314 -4.003 0.533 1.00 23.31 O ATOM 256 CB ILE A 15 8.781 -6.889 1.090 1.00 71.12 C ATOM 257 CG1 ILE A 15 7.532 -7.726 0.755 1.00 44.42 C ATOM 258 CG2 ILE A 15 8.521 -5.981 2.295 1.00 23.44 C ATOM 259 CD1 ILE A 15 7.057 -8.607 1.895 1.00 62.41 C ATOM 0 H ILE A 15 9.475 -7.915 -1.092 1.00 75.15 H new ATOM 0 HA ILE A 15 8.405 -5.400 -0.437 1.00 73.11 H new ATOM 0 HB ILE A 15 9.590 -7.572 1.351 1.00 71.12 H new ATOM 0 HG12 ILE A 15 6.723 -7.054 0.467 1.00 44.42 H new ATOM 0 HG13 ILE A 15 7.749 -8.353 -0.110 1.00 44.42 H new ATOM 0 HG21 ILE A 15 8.212 -6.587 3.147 1.00 23.44 H new ATOM 0 HG22 ILE A 15 9.433 -5.440 2.546 1.00 23.44 H new ATOM 0 HG23 ILE A 15 7.733 -5.269 2.051 1.00 23.44 H new ATOM 0 HD11 ILE A 15 6.174 -9.164 1.581 1.00 62.41 H new ATOM 0 HD12 ILE A 15 7.848 -9.305 2.169 1.00 62.41 H new ATOM 0 HD13 ILE A 15 6.807 -7.986 2.755 1.00 62.41 H new ATOM 271 N GLU A 16 11.629 -5.811 0.223 1.00 73.21 N ATOM 272 CA GLU A 16 12.884 -5.103 0.507 1.00 62.11 C ATOM 273 C GLU A 16 13.097 -3.931 -0.468 1.00 1.45 C ATOM 274 O GLU A 16 13.355 -2.803 -0.045 1.00 35.32 O ATOM 275 CB GLU A 16 14.074 -6.077 0.438 1.00 30.20 C ATOM 276 CG GLU A 16 14.063 -7.142 1.538 1.00 53.30 C ATOM 277 CD GLU A 16 15.253 -8.093 1.472 1.00 11.22 C ATOM 278 OE1 GLU A 16 16.406 -7.613 1.407 1.00 72.13 O ATOM 279 OE2 GLU A 16 15.045 -9.328 1.490 1.00 51.31 O ATOM 0 H GLU A 16 11.747 -6.803 0.017 1.00 73.21 H new ATOM 0 HA GLU A 16 12.818 -4.694 1.515 1.00 62.11 H new ATOM 0 HB2 GLU A 16 14.072 -6.571 -0.534 1.00 30.20 H new ATOM 0 HB3 GLU A 16 15.002 -5.508 0.504 1.00 30.20 H new ATOM 0 HG2 GLU A 16 14.055 -6.649 2.510 1.00 53.30 H new ATOM 0 HG3 GLU A 16 13.141 -7.719 1.465 1.00 53.30 H new ATOM 286 N GLU A 17 12.973 -4.207 -1.770 1.00 53.03 N ATOM 287 CA GLU A 17 13.092 -3.171 -2.810 1.00 42.41 C ATOM 288 C GLU A 17 12.141 -1.992 -2.549 1.00 51.31 C ATOM 289 O GLU A 17 12.533 -0.826 -2.647 1.00 41.54 O ATOM 290 CB GLU A 17 12.794 -3.777 -4.189 1.00 54.43 C ATOM 291 CG GLU A 17 13.871 -4.727 -4.702 1.00 71.34 C ATOM 292 CD GLU A 17 15.208 -4.038 -4.935 1.00 4.05 C ATOM 293 OE1 GLU A 17 15.312 -3.239 -5.888 1.00 25.42 O ATOM 294 OE2 GLU A 17 16.170 -4.308 -4.183 1.00 21.31 O ATOM 0 H GLU A 17 12.789 -5.142 -2.133 1.00 53.03 H new ATOM 0 HA GLU A 17 14.114 -2.792 -2.785 1.00 42.41 H new ATOM 0 HB2 GLU A 17 11.846 -4.313 -4.140 1.00 54.43 H new ATOM 0 HB3 GLU A 17 12.666 -2.968 -4.909 1.00 54.43 H new ATOM 0 HG2 GLU A 17 14.006 -5.537 -3.985 1.00 71.34 H new ATOM 0 HG3 GLU A 17 13.534 -5.180 -5.634 1.00 71.34 H new ATOM 301 N ALA A 18 10.893 -2.309 -2.220 1.00 65.12 N ATOM 302 CA ALA A 18 9.880 -1.289 -1.941 1.00 74.40 C ATOM 303 C ALA A 18 10.273 -0.404 -0.746 1.00 74.01 C ATOM 304 O ALA A 18 10.257 0.826 -0.839 1.00 63.41 O ATOM 305 CB ALA A 18 8.532 -1.952 -1.687 1.00 71.43 C ATOM 0 H ALA A 18 10.555 -3.268 -2.139 1.00 65.12 H new ATOM 0 HA ALA A 18 9.807 -0.643 -2.816 1.00 74.40 H new ATOM 0 HB1 ALA A 18 7.784 -1.187 -1.480 1.00 71.43 H new ATOM 0 HB2 ALA A 18 8.235 -2.522 -2.568 1.00 71.43 H new ATOM 0 HB3 ALA A 18 8.612 -2.622 -0.831 1.00 71.43 H new ATOM 311 N ARG A 19 10.627 -1.034 0.376 1.00 51.23 N ATOM 312 CA ARG A 19 11.011 -0.296 1.588 1.00 73.21 C ATOM 313 C ARG A 19 12.222 0.617 1.339 1.00 41.02 C ATOM 314 O ARG A 19 12.220 1.785 1.732 1.00 50.22 O ATOM 315 CB ARG A 19 11.312 -1.265 2.744 1.00 22.42 C ATOM 316 CG ARG A 19 10.107 -2.105 3.159 1.00 0.44 C ATOM 317 CD ARG A 19 10.377 -2.916 4.422 1.00 21.10 C ATOM 318 NE ARG A 19 11.502 -3.839 4.265 1.00 4.45 N ATOM 319 CZ ARG A 19 11.515 -5.062 4.720 1.00 70.31 C ATOM 320 NH1 ARG A 19 10.481 -5.555 5.329 1.00 53.04 N ATOM 321 NH2 ARG A 19 12.570 -5.787 4.569 1.00 13.13 N ATOM 0 H ARG A 19 10.657 -2.049 0.474 1.00 51.23 H new ATOM 0 HA ARG A 19 10.165 0.334 1.863 1.00 73.21 H new ATOM 0 HB2 ARG A 19 12.125 -1.929 2.450 1.00 22.42 H new ATOM 0 HB3 ARG A 19 11.662 -0.695 3.605 1.00 22.42 H new ATOM 0 HG2 ARG A 19 9.251 -1.451 3.325 1.00 0.44 H new ATOM 0 HG3 ARG A 19 9.840 -2.780 2.346 1.00 0.44 H new ATOM 0 HD2 ARG A 19 10.581 -2.237 5.250 1.00 21.10 H new ATOM 0 HD3 ARG A 19 9.482 -3.480 4.686 1.00 21.10 H new ATOM 0 HE ARG A 19 12.328 -3.505 3.769 1.00 4.45 H new ATOM 0 HH11 ARG A 19 9.645 -4.985 5.457 1.00 53.04 H new ATOM 0 HH12 ARG A 19 10.504 -6.512 5.680 1.00 53.04 H new ATOM 0 HH21 ARG A 19 13.389 -5.404 4.096 1.00 13.13 H new ATOM 0 HH22 ARG A 19 12.586 -6.744 4.922 1.00 13.13 H new ATOM 335 N LYS A 20 13.244 0.080 0.670 1.00 24.20 N ATOM 336 CA LYS A 20 14.455 0.849 0.352 1.00 13.35 C ATOM 337 C LYS A 20 14.124 2.150 -0.398 1.00 11.45 C ATOM 338 O LYS A 20 14.760 3.179 -0.175 1.00 25.42 O ATOM 339 CB LYS A 20 15.429 -0.002 -0.477 1.00 42.11 C ATOM 340 CG LYS A 20 16.000 -1.203 0.278 1.00 51.52 C ATOM 341 CD LYS A 20 16.895 -2.064 -0.614 1.00 71.23 C ATOM 342 CE LYS A 20 18.128 -1.306 -1.101 1.00 41.34 C ATOM 343 NZ LYS A 20 19.032 -0.924 0.017 1.00 53.11 N ATOM 0 H LYS A 20 13.260 -0.884 0.337 1.00 24.20 H new ATOM 0 HA LYS A 20 14.927 1.118 1.297 1.00 13.35 H new ATOM 0 HB2 LYS A 20 14.916 -0.358 -1.370 1.00 42.11 H new ATOM 0 HB3 LYS A 20 16.252 0.629 -0.812 1.00 42.11 H new ATOM 0 HG2 LYS A 20 16.573 -0.853 1.137 1.00 51.52 H new ATOM 0 HG3 LYS A 20 15.182 -1.810 0.666 1.00 51.52 H new ATOM 0 HD2 LYS A 20 17.210 -2.950 -0.062 1.00 71.23 H new ATOM 0 HD3 LYS A 20 16.322 -2.411 -1.473 1.00 71.23 H new ATOM 0 HE2 LYS A 20 18.675 -1.925 -1.813 1.00 41.34 H new ATOM 0 HE3 LYS A 20 17.814 -0.409 -1.634 1.00 41.34 H new ATOM 0 HZ1 LYS A 20 19.922 -0.550 -0.369 1.00 53.11 H new ATOM 0 HZ2 LYS A 20 18.574 -0.195 0.600 1.00 53.11 H new ATOM 0 HZ3 LYS A 20 19.233 -1.760 0.602 1.00 53.11 H new ATOM 357 N MET A 21 13.129 2.098 -1.283 1.00 63.45 N ATOM 358 CA MET A 21 12.682 3.287 -2.025 1.00 33.34 C ATOM 359 C MET A 21 11.859 4.234 -1.141 1.00 34.24 C ATOM 360 O MET A 21 12.052 5.453 -1.174 1.00 70.04 O ATOM 361 CB MET A 21 11.857 2.875 -3.249 1.00 51.33 C ATOM 362 CG MET A 21 12.700 2.366 -4.403 1.00 25.12 C ATOM 363 SD MET A 21 13.764 3.653 -5.096 1.00 41.41 S ATOM 364 CE MET A 21 12.548 4.877 -5.592 1.00 22.54 C ATOM 0 H MET A 21 12.614 1.247 -1.507 1.00 63.45 H new ATOM 0 HA MET A 21 13.575 3.820 -2.351 1.00 33.34 H new ATOM 0 HB2 MET A 21 11.150 2.099 -2.956 1.00 51.33 H new ATOM 0 HB3 MET A 21 11.271 3.730 -3.587 1.00 51.33 H new ATOM 0 HG2 MET A 21 13.316 1.534 -4.061 1.00 25.12 H new ATOM 0 HG3 MET A 21 12.046 1.979 -5.184 1.00 25.12 H new ATOM 0 HE1 MET A 21 12.968 5.512 -6.372 1.00 22.54 H new ATOM 0 HE2 MET A 21 11.659 4.374 -5.973 1.00 22.54 H new ATOM 0 HE3 MET A 21 12.277 5.490 -4.732 1.00 22.54 H new ATOM 374 N ALA A 22 10.943 3.668 -0.356 1.00 33.20 N ATOM 375 CA ALA A 22 10.082 4.458 0.531 1.00 24.54 C ATOM 376 C ALA A 22 10.901 5.377 1.449 1.00 31.44 C ATOM 377 O ALA A 22 10.487 6.500 1.755 1.00 1.44 O ATOM 378 CB ALA A 22 9.192 3.536 1.357 1.00 35.31 C ATOM 0 H ALA A 22 10.776 2.663 -0.315 1.00 33.20 H new ATOM 0 HA ALA A 22 9.455 5.094 -0.094 1.00 24.54 H new ATOM 0 HB1 ALA A 22 8.557 4.133 2.012 1.00 35.31 H new ATOM 0 HB2 ALA A 22 8.568 2.940 0.691 1.00 35.31 H new ATOM 0 HB3 ALA A 22 9.814 2.874 1.960 1.00 35.31 H new ATOM 384 N GLU A 23 12.071 4.898 1.865 1.00 3.31 N ATOM 385 CA GLU A 23 12.965 5.666 2.735 1.00 53.44 C ATOM 386 C GLU A 23 13.462 6.959 2.059 1.00 11.34 C ATOM 387 O GLU A 23 13.595 7.996 2.712 1.00 12.41 O ATOM 388 CB GLU A 23 14.151 4.796 3.163 1.00 21.01 C ATOM 389 CG GLU A 23 13.739 3.536 3.924 1.00 74.22 C ATOM 390 CD GLU A 23 14.926 2.724 4.411 1.00 44.33 C ATOM 391 OE1 GLU A 23 15.412 1.856 3.659 1.00 13.32 O ATOM 392 OE2 GLU A 23 15.393 2.959 5.549 1.00 74.12 O ATOM 0 H GLU A 23 12.426 3.976 1.613 1.00 3.31 H new ATOM 0 HA GLU A 23 12.396 5.962 3.616 1.00 53.44 H new ATOM 0 HB2 GLU A 23 14.718 4.507 2.278 1.00 21.01 H new ATOM 0 HB3 GLU A 23 14.818 5.388 3.790 1.00 21.01 H new ATOM 0 HG2 GLU A 23 13.124 3.819 4.778 1.00 74.22 H new ATOM 0 HG3 GLU A 23 13.120 2.914 3.278 1.00 74.22 H new ATOM 399 N LYS A 24 13.737 6.901 0.752 1.00 1.54 N ATOM 400 CA LYS A 24 14.115 8.108 -0.002 1.00 24.02 C ATOM 401 C LYS A 24 12.886 8.986 -0.274 1.00 24.10 C ATOM 402 O LYS A 24 12.978 10.214 -0.306 1.00 3.33 O ATOM 403 CB LYS A 24 14.794 7.754 -1.339 1.00 63.43 C ATOM 404 CG LYS A 24 16.194 7.146 -1.210 1.00 10.02 C ATOM 405 CD LYS A 24 16.156 5.693 -0.747 1.00 23.23 C ATOM 406 CE LYS A 24 17.540 5.054 -0.759 1.00 54.53 C ATOM 407 NZ LYS A 24 17.472 3.594 -0.490 1.00 64.01 N ATOM 0 H LYS A 24 13.707 6.045 0.197 1.00 1.54 H new ATOM 0 HA LYS A 24 14.827 8.659 0.613 1.00 24.02 H new ATOM 0 HB2 LYS A 24 14.157 7.053 -1.879 1.00 63.43 H new ATOM 0 HB3 LYS A 24 14.860 8.657 -1.946 1.00 63.43 H new ATOM 0 HG2 LYS A 24 16.703 7.205 -2.172 1.00 10.02 H new ATOM 0 HG3 LYS A 24 16.779 7.735 -0.503 1.00 10.02 H new ATOM 0 HD2 LYS A 24 15.743 5.644 0.260 1.00 23.23 H new ATOM 0 HD3 LYS A 24 15.488 5.124 -1.393 1.00 23.23 H new ATOM 0 HE2 LYS A 24 18.011 5.224 -1.727 1.00 54.53 H new ATOM 0 HE3 LYS A 24 18.169 5.534 -0.009 1.00 54.53 H new ATOM 0 HZ1 LYS A 24 18.138 3.350 0.270 1.00 64.01 H new ATOM 0 HZ2 LYS A 24 16.507 3.339 -0.199 1.00 64.01 H new ATOM 0 HZ3 LYS A 24 17.723 3.070 -1.352 1.00 64.01 H new ATOM 421 N ALA A 25 11.736 8.345 -0.460 1.00 21.54 N ATOM 422 CA ALA A 25 10.481 9.056 -0.734 1.00 63.14 C ATOM 423 C ALA A 25 9.900 9.722 0.526 1.00 3.14 C ATOM 424 O ALA A 25 9.056 10.618 0.424 1.00 14.51 O ATOM 425 CB ALA A 25 9.466 8.096 -1.344 1.00 34.55 C ATOM 0 H ALA A 25 11.642 7.330 -0.427 1.00 21.54 H new ATOM 0 HA ALA A 25 10.702 9.854 -1.443 1.00 63.14 H new ATOM 0 HB1 ALA A 25 8.537 8.629 -1.545 1.00 34.55 H new ATOM 0 HB2 ALA A 25 9.862 7.692 -2.276 1.00 34.55 H new ATOM 0 HB3 ALA A 25 9.273 7.280 -0.648 1.00 34.55 H new ATOM 431 N ASN A 26 10.357 9.278 1.705 1.00 52.11 N ATOM 432 CA ASN A 26 9.886 9.811 2.999 1.00 3.31 C ATOM 433 C ASN A 26 8.422 9.400 3.271 1.00 5.23 C ATOM 434 O ASN A 26 7.679 10.090 3.977 1.00 33.44 O ATOM 435 CB ASN A 26 10.045 11.345 3.038 1.00 41.55 C ATOM 436 CG ASN A 26 9.729 11.964 4.393 1.00 12.14 C ATOM 437 OD1 ASN A 26 9.213 13.075 4.471 1.00 52.22 O ATOM 438 ND2 ASN A 26 10.033 11.260 5.467 1.00 54.44 N ATOM 0 H ASN A 26 11.059 8.544 1.793 1.00 52.11 H new ATOM 0 HA ASN A 26 10.501 9.381 3.789 1.00 3.31 H new ATOM 0 HB2 ASN A 26 11.068 11.602 2.762 1.00 41.55 H new ATOM 0 HB3 ASN A 26 9.391 11.787 2.286 1.00 41.55 H new ATOM 0 HD21 ASN A 26 9.840 11.636 6.395 1.00 54.44 H new ATOM 0 HD22 ASN A 26 10.461 10.339 5.369 1.00 54.44 H new ATOM 445 N LEU A 27 8.021 8.254 2.727 1.00 44.53 N ATOM 446 CA LEU A 27 6.658 7.739 2.910 1.00 62.33 C ATOM 447 C LEU A 27 6.620 6.620 3.965 1.00 43.31 C ATOM 448 O LEU A 27 7.620 5.940 4.204 1.00 64.44 O ATOM 449 CB LEU A 27 6.108 7.223 1.573 1.00 62.15 C ATOM 450 CG LEU A 27 6.043 8.267 0.442 1.00 70.32 C ATOM 451 CD1 LEU A 27 5.502 7.645 -0.842 1.00 14.30 C ATOM 452 CD2 LEU A 27 5.192 9.464 0.862 1.00 11.14 C ATOM 0 H LEU A 27 8.619 7.659 2.153 1.00 44.53 H new ATOM 0 HA LEU A 27 6.032 8.557 3.266 1.00 62.33 H new ATOM 0 HB2 LEU A 27 6.728 6.390 1.241 1.00 62.15 H new ATOM 0 HB3 LEU A 27 5.106 6.828 1.739 1.00 62.15 H new ATOM 0 HG LEU A 27 7.056 8.619 0.247 1.00 70.32 H new ATOM 0 HD11 LEU A 27 5.466 8.402 -1.626 1.00 14.30 H new ATOM 0 HD12 LEU A 27 6.155 6.830 -1.155 1.00 14.30 H new ATOM 0 HD13 LEU A 27 4.499 7.258 -0.664 1.00 14.30 H new ATOM 0 HD21 LEU A 27 5.159 10.190 0.049 1.00 11.14 H new ATOM 0 HD22 LEU A 27 4.180 9.129 1.091 1.00 11.14 H new ATOM 0 HD23 LEU A 27 5.629 9.929 1.746 1.00 11.14 H new ATOM 464 N GLU A 28 5.465 6.443 4.602 1.00 54.21 N ATOM 465 CA GLU A 28 5.289 5.386 5.607 1.00 3.13 C ATOM 466 C GLU A 28 4.841 4.074 4.945 1.00 51.33 C ATOM 467 O GLU A 28 3.698 3.947 4.508 1.00 60.52 O ATOM 468 CB GLU A 28 4.258 5.825 6.657 1.00 44.45 C ATOM 469 CG GLU A 28 4.009 4.795 7.761 1.00 42.45 C ATOM 470 CD GLU A 28 5.230 4.539 8.633 1.00 5.43 C ATOM 471 OE1 GLU A 28 5.522 5.374 9.513 1.00 20.45 O ATOM 472 OE2 GLU A 28 5.886 3.488 8.463 1.00 54.25 O ATOM 0 H GLU A 28 4.635 7.015 4.444 1.00 54.21 H new ATOM 0 HA GLU A 28 6.247 5.214 6.097 1.00 3.13 H new ATOM 0 HB2 GLU A 28 4.595 6.756 7.113 1.00 44.45 H new ATOM 0 HB3 GLU A 28 3.314 6.039 6.156 1.00 44.45 H new ATOM 0 HG2 GLU A 28 3.188 5.138 8.390 1.00 42.45 H new ATOM 0 HG3 GLU A 28 3.692 3.856 7.307 1.00 42.45 H new ATOM 479 N LEU A 29 5.746 3.104 4.867 1.00 22.35 N ATOM 480 CA LEU A 29 5.449 1.822 4.219 1.00 43.24 C ATOM 481 C LEU A 29 5.214 0.711 5.258 1.00 61.33 C ATOM 482 O LEU A 29 6.081 0.417 6.085 1.00 2.23 O ATOM 483 CB LEU A 29 6.594 1.449 3.257 1.00 4.33 C ATOM 484 CG LEU A 29 6.333 0.252 2.313 1.00 24.12 C ATOM 485 CD1 LEU A 29 7.254 0.319 1.098 1.00 12.21 C ATOM 486 CD2 LEU A 29 6.524 -1.083 3.036 1.00 32.31 C ATOM 0 H LEU A 29 6.692 3.177 5.243 1.00 22.35 H new ATOM 0 HA LEU A 29 4.527 1.926 3.646 1.00 43.24 H new ATOM 0 HB2 LEU A 29 6.826 2.322 2.647 1.00 4.33 H new ATOM 0 HB3 LEU A 29 7.482 1.230 3.850 1.00 4.33 H new ATOM 0 HG LEU A 29 5.296 0.315 1.982 1.00 24.12 H new ATOM 0 HD11 LEU A 29 7.057 -0.531 0.445 1.00 12.21 H new ATOM 0 HD12 LEU A 29 7.071 1.245 0.554 1.00 12.21 H new ATOM 0 HD13 LEU A 29 8.293 0.290 1.427 1.00 12.21 H new ATOM 0 HD21 LEU A 29 6.333 -1.903 2.343 1.00 32.31 H new ATOM 0 HD22 LEU A 29 7.546 -1.153 3.407 1.00 32.31 H new ATOM 0 HD23 LEU A 29 5.829 -1.146 3.873 1.00 32.31 H new ATOM 498 N ARG A 30 4.035 0.097 5.204 1.00 74.44 N ATOM 499 CA ARG A 30 3.668 -0.986 6.124 1.00 41.42 C ATOM 500 C ARG A 30 3.448 -2.311 5.365 1.00 64.20 C ATOM 501 O ARG A 30 2.782 -2.342 4.326 1.00 51.14 O ATOM 502 CB ARG A 30 2.401 -0.595 6.902 1.00 60.33 C ATOM 503 CG ARG A 30 2.564 0.667 7.752 1.00 13.12 C ATOM 504 CD ARG A 30 3.502 0.439 8.937 1.00 60.53 C ATOM 505 NE ARG A 30 3.901 1.692 9.581 1.00 14.41 N ATOM 506 CZ ARG A 30 3.219 2.302 10.517 1.00 13.10 C ATOM 507 NH1 ARG A 30 2.060 1.864 10.892 1.00 12.02 N ATOM 508 NH2 ARG A 30 3.694 3.374 11.063 1.00 32.00 N ATOM 0 H ARG A 30 3.308 0.331 4.527 1.00 74.44 H new ATOM 0 HA ARG A 30 4.488 -1.139 6.825 1.00 41.42 H new ATOM 0 HB2 ARG A 30 1.584 -0.443 6.196 1.00 60.33 H new ATOM 0 HB3 ARG A 30 2.113 -1.423 7.549 1.00 60.33 H new ATOM 0 HG2 ARG A 30 2.952 1.475 7.132 1.00 13.12 H new ATOM 0 HG3 ARG A 30 1.588 0.987 8.118 1.00 13.12 H new ATOM 0 HD2 ARG A 30 3.010 -0.202 9.669 1.00 60.53 H new ATOM 0 HD3 ARG A 30 4.392 -0.091 8.596 1.00 60.53 H new ATOM 0 HE ARG A 30 4.775 2.121 9.278 1.00 14.41 H new ATOM 0 HH11 ARG A 30 1.664 1.031 10.456 1.00 12.02 H new ATOM 0 HH12 ARG A 30 1.542 2.352 11.623 1.00 12.02 H new ATOM 0 HH21 ARG A 30 4.597 3.741 10.764 1.00 32.00 H new ATOM 0 HH22 ARG A 30 3.165 3.852 11.793 1.00 32.00 H new ATOM 522 N THR A 31 4.013 -3.397 5.889 1.00 60.32 N ATOM 523 CA THR A 31 3.947 -4.714 5.233 1.00 35.12 C ATOM 524 C THR A 31 2.664 -5.475 5.589 1.00 43.31 C ATOM 525 O THR A 31 2.404 -5.759 6.756 1.00 71.42 O ATOM 526 CB THR A 31 5.160 -5.592 5.623 1.00 1.22 C ATOM 527 OG1 THR A 31 5.187 -5.791 7.047 1.00 45.32 O ATOM 528 CG2 THR A 31 6.469 -4.947 5.175 1.00 74.01 C ATOM 0 H THR A 31 4.526 -3.397 6.771 1.00 60.32 H new ATOM 0 HA THR A 31 3.956 -4.519 4.161 1.00 35.12 H new ATOM 0 HB THR A 31 5.056 -6.554 5.121 1.00 1.22 H new ATOM 0 HG1 THR A 31 4.272 -5.904 7.379 1.00 45.32 H new ATOM 0 HG21 THR A 31 7.305 -5.584 5.461 1.00 74.01 H new ATOM 0 HG22 THR A 31 6.462 -4.823 4.092 1.00 74.01 H new ATOM 0 HG23 THR A 31 6.576 -3.972 5.651 1.00 74.01 H new ATOM 536 N VAL A 32 1.875 -5.820 4.575 1.00 63.10 N ATOM 537 CA VAL A 32 0.629 -6.568 4.775 1.00 41.13 C ATOM 538 C VAL A 32 0.811 -8.057 4.437 1.00 11.13 C ATOM 539 O VAL A 32 1.251 -8.411 3.342 1.00 24.10 O ATOM 540 CB VAL A 32 -0.515 -5.984 3.912 1.00 54.51 C ATOM 541 CG1 VAL A 32 -1.800 -6.791 4.088 1.00 2.22 C ATOM 542 CG2 VAL A 32 -0.749 -4.511 4.251 1.00 25.33 C ATOM 0 H VAL A 32 2.075 -5.594 3.601 1.00 63.10 H new ATOM 0 HA VAL A 32 0.366 -6.475 5.829 1.00 41.13 H new ATOM 0 HB VAL A 32 -0.217 -6.051 2.866 1.00 54.51 H new ATOM 0 HG11 VAL A 32 -2.588 -6.360 3.471 1.00 2.22 H new ATOM 0 HG12 VAL A 32 -1.626 -7.823 3.785 1.00 2.22 H new ATOM 0 HG13 VAL A 32 -2.104 -6.767 5.134 1.00 2.22 H new ATOM 0 HG21 VAL A 32 -1.557 -4.119 3.633 1.00 25.33 H new ATOM 0 HG22 VAL A 32 -1.019 -4.418 5.303 1.00 25.33 H new ATOM 0 HG23 VAL A 32 0.162 -3.944 4.059 1.00 25.33 H new ATOM 552 N LYS A 33 0.464 -8.925 5.388 1.00 73.22 N ATOM 553 CA LYS A 33 0.621 -10.376 5.217 1.00 51.21 C ATOM 554 C LYS A 33 -0.697 -11.058 4.801 1.00 73.42 C ATOM 555 O LYS A 33 -0.697 -11.987 3.990 1.00 74.11 O ATOM 556 CB LYS A 33 1.136 -10.986 6.527 1.00 32.00 C ATOM 557 CG LYS A 33 2.418 -10.329 7.039 1.00 24.34 C ATOM 558 CD LYS A 33 2.800 -10.819 8.435 1.00 12.02 C ATOM 559 CE LYS A 33 4.032 -10.092 8.966 1.00 22.33 C ATOM 560 NZ LYS A 33 4.340 -10.462 10.372 1.00 23.40 N ATOM 0 H LYS A 33 0.071 -8.651 6.288 1.00 73.22 H new ATOM 0 HA LYS A 33 1.339 -10.545 4.414 1.00 51.21 H new ATOM 0 HB2 LYS A 33 0.362 -10.898 7.289 1.00 32.00 H new ATOM 0 HB3 LYS A 33 1.317 -12.050 6.377 1.00 32.00 H new ATOM 0 HG2 LYS A 33 3.233 -10.539 6.347 1.00 24.34 H new ATOM 0 HG3 LYS A 33 2.287 -9.247 7.059 1.00 24.34 H new ATOM 0 HD2 LYS A 33 1.964 -10.665 9.117 1.00 12.02 H new ATOM 0 HD3 LYS A 33 2.994 -11.891 8.405 1.00 12.02 H new ATOM 0 HE2 LYS A 33 4.889 -10.325 8.335 1.00 22.33 H new ATOM 0 HE3 LYS A 33 3.872 -9.016 8.902 1.00 22.33 H new ATOM 0 HZ1 LYS A 33 5.184 -9.944 10.690 1.00 23.40 H new ATOM 0 HZ2 LYS A 33 3.533 -10.216 10.980 1.00 23.40 H new ATOM 0 HZ3 LYS A 33 4.519 -11.485 10.431 1.00 23.40 H new ATOM 574 N THR A 34 -1.816 -10.602 5.371 1.00 63.11 N ATOM 575 CA THR A 34 -3.135 -11.221 5.125 1.00 53.54 C ATOM 576 C THR A 34 -4.250 -10.172 4.976 1.00 72.04 C ATOM 577 O THR A 34 -4.022 -8.972 5.149 1.00 70.34 O ATOM 578 CB THR A 34 -3.541 -12.167 6.286 1.00 53.30 C ATOM 579 OG1 THR A 34 -3.687 -11.413 7.503 1.00 70.22 O ATOM 580 CG2 THR A 34 -2.516 -13.281 6.494 1.00 52.22 C ATOM 0 H THR A 34 -1.842 -9.806 6.008 1.00 63.11 H new ATOM 0 HA THR A 34 -3.028 -11.780 4.195 1.00 53.54 H new ATOM 0 HB THR A 34 -4.491 -12.630 6.019 1.00 53.30 H new ATOM 0 HG1 THR A 34 -3.945 -12.015 8.232 1.00 70.22 H new ATOM 0 HG21 THR A 34 -2.837 -13.922 7.316 1.00 52.22 H new ATOM 0 HG22 THR A 34 -2.433 -13.874 5.583 1.00 52.22 H new ATOM 0 HG23 THR A 34 -1.546 -12.844 6.732 1.00 52.22 H new ATOM 588 N GLU A 35 -5.461 -10.652 4.674 1.00 63.25 N ATOM 589 CA GLU A 35 -6.675 -9.816 4.645 1.00 14.02 C ATOM 590 C GLU A 35 -6.834 -9.052 5.970 1.00 32.32 C ATOM 591 O GLU A 35 -7.104 -7.850 5.993 1.00 75.02 O ATOM 592 CB GLU A 35 -7.898 -10.728 4.431 1.00 43.32 C ATOM 593 CG GLU A 35 -9.246 -10.012 4.300 1.00 4.14 C ATOM 594 CD GLU A 35 -9.563 -9.583 2.881 1.00 74.52 C ATOM 595 OE1 GLU A 35 -9.181 -10.314 1.942 1.00 60.35 O ATOM 596 OE2 GLU A 35 -10.234 -8.545 2.705 1.00 14.14 O ATOM 0 H GLU A 35 -5.632 -11.631 4.442 1.00 63.25 H new ATOM 0 HA GLU A 35 -6.594 -9.092 3.834 1.00 14.02 H new ATOM 0 HB2 GLU A 35 -7.733 -11.321 3.531 1.00 43.32 H new ATOM 0 HB3 GLU A 35 -7.958 -11.426 5.266 1.00 43.32 H new ATOM 0 HG2 GLU A 35 -10.036 -10.672 4.657 1.00 4.14 H new ATOM 0 HG3 GLU A 35 -9.247 -9.134 4.946 1.00 4.14 H new ATOM 603 N ASP A 36 -6.647 -9.775 7.073 1.00 23.32 N ATOM 604 CA ASP A 36 -6.758 -9.205 8.414 1.00 13.54 C ATOM 605 C ASP A 36 -5.704 -8.107 8.646 1.00 23.41 C ATOM 606 O ASP A 36 -6.014 -7.041 9.181 1.00 5.54 O ATOM 607 CB ASP A 36 -6.616 -10.316 9.457 1.00 71.55 C ATOM 608 CG ASP A 36 -6.972 -9.849 10.855 1.00 1.23 C ATOM 609 OD1 ASP A 36 -8.184 -9.732 11.154 1.00 31.31 O ATOM 610 OD2 ASP A 36 -6.055 -9.591 11.656 1.00 41.43 O ATOM 0 H ASP A 36 -6.415 -10.768 7.062 1.00 23.32 H new ATOM 0 HA ASP A 36 -7.740 -8.742 8.512 1.00 13.54 H new ATOM 0 HB2 ASP A 36 -7.259 -11.152 9.182 1.00 71.55 H new ATOM 0 HB3 ASP A 36 -5.591 -10.687 9.451 1.00 71.55 H new ATOM 615 N GLU A 37 -4.459 -8.371 8.231 1.00 53.25 N ATOM 616 CA GLU A 37 -3.378 -7.373 8.328 1.00 60.03 C ATOM 617 C GLU A 37 -3.750 -6.068 7.606 1.00 23.23 C ATOM 618 O GLU A 37 -3.566 -4.976 8.146 1.00 42.01 O ATOM 619 CB GLU A 37 -2.070 -7.924 7.738 1.00 40.10 C ATOM 620 CG GLU A 37 -1.429 -9.040 8.555 1.00 32.11 C ATOM 621 CD GLU A 37 -0.887 -8.561 9.896 1.00 61.34 C ATOM 622 OE1 GLU A 37 0.251 -8.037 9.935 1.00 73.33 O ATOM 623 OE2 GLU A 37 -1.588 -8.713 10.918 1.00 21.11 O ATOM 0 H GLU A 37 -4.172 -9.262 7.826 1.00 53.25 H new ATOM 0 HA GLU A 37 -3.235 -7.158 9.387 1.00 60.03 H new ATOM 0 HB2 GLU A 37 -2.268 -8.295 6.732 1.00 40.10 H new ATOM 0 HB3 GLU A 37 -1.357 -7.106 7.642 1.00 40.10 H new ATOM 0 HG2 GLU A 37 -2.165 -9.826 8.727 1.00 32.11 H new ATOM 0 HG3 GLU A 37 -0.617 -9.484 7.979 1.00 32.11 H new ATOM 630 N LEU A 38 -4.265 -6.191 6.381 1.00 74.13 N ATOM 631 CA LEU A 38 -4.710 -5.025 5.602 1.00 72.31 C ATOM 632 C LEU A 38 -5.747 -4.211 6.402 1.00 41.24 C ATOM 633 O LEU A 38 -5.599 -3.001 6.587 1.00 35.43 O ATOM 634 CB LEU A 38 -5.295 -5.491 4.249 1.00 4.03 C ATOM 635 CG LEU A 38 -5.358 -4.436 3.117 1.00 70.32 C ATOM 636 CD1 LEU A 38 -6.402 -3.359 3.394 1.00 41.54 C ATOM 637 CD2 LEU A 38 -3.987 -3.803 2.891 1.00 61.10 C ATOM 0 H LEU A 38 -4.386 -7.084 5.904 1.00 74.13 H new ATOM 0 HA LEU A 38 -3.855 -4.378 5.404 1.00 72.31 H new ATOM 0 HB2 LEU A 38 -4.703 -6.335 3.895 1.00 4.03 H new ATOM 0 HB3 LEU A 38 -6.305 -5.862 4.425 1.00 4.03 H new ATOM 0 HG LEU A 38 -5.660 -4.958 2.209 1.00 70.32 H new ATOM 0 HD11 LEU A 38 -6.411 -2.641 2.574 1.00 41.54 H new ATOM 0 HD12 LEU A 38 -7.386 -3.820 3.483 1.00 41.54 H new ATOM 0 HD13 LEU A 38 -6.157 -2.845 4.323 1.00 41.54 H new ATOM 0 HD21 LEU A 38 -4.054 -3.065 2.092 1.00 61.10 H new ATOM 0 HD22 LEU A 38 -3.656 -3.316 3.808 1.00 61.10 H new ATOM 0 HD23 LEU A 38 -3.271 -4.576 2.612 1.00 61.10 H new ATOM 649 N LYS A 39 -6.785 -4.895 6.887 1.00 33.23 N ATOM 650 CA LYS A 39 -7.825 -4.267 7.715 1.00 23.30 C ATOM 651 C LYS A 39 -7.222 -3.589 8.966 1.00 74.13 C ATOM 652 O LYS A 39 -7.626 -2.486 9.341 1.00 64.44 O ATOM 653 CB LYS A 39 -8.862 -5.322 8.134 1.00 4.21 C ATOM 654 CG LYS A 39 -9.992 -4.782 9.012 1.00 33.33 C ATOM 655 CD LYS A 39 -10.870 -5.903 9.573 1.00 12.42 C ATOM 656 CE LYS A 39 -11.606 -6.672 8.479 1.00 42.11 C ATOM 657 NZ LYS A 39 -12.620 -5.832 7.789 1.00 74.43 N ATOM 0 H LYS A 39 -6.931 -5.891 6.721 1.00 33.23 H new ATOM 0 HA LYS A 39 -8.310 -3.493 7.120 1.00 23.30 H new ATOM 0 HB2 LYS A 39 -9.295 -5.765 7.237 1.00 4.21 H new ATOM 0 HB3 LYS A 39 -8.352 -6.122 8.670 1.00 4.21 H new ATOM 0 HG2 LYS A 39 -9.568 -4.208 9.836 1.00 33.33 H new ATOM 0 HG3 LYS A 39 -10.608 -4.097 8.429 1.00 33.33 H new ATOM 0 HD2 LYS A 39 -10.250 -6.594 10.144 1.00 12.42 H new ATOM 0 HD3 LYS A 39 -11.597 -5.479 10.266 1.00 12.42 H new ATOM 0 HE2 LYS A 39 -10.886 -7.042 7.749 1.00 42.11 H new ATOM 0 HE3 LYS A 39 -12.094 -7.544 8.915 1.00 42.11 H new ATOM 0 HZ1 LYS A 39 -13.047 -6.373 7.010 1.00 74.43 H new ATOM 0 HZ2 LYS A 39 -13.360 -5.555 8.465 1.00 74.43 H new ATOM 0 HZ3 LYS A 39 -12.163 -4.979 7.408 1.00 74.43 H new ATOM 671 N LYS A 40 -6.256 -4.260 9.600 1.00 43.23 N ATOM 672 CA LYS A 40 -5.558 -3.720 10.779 1.00 2.15 C ATOM 673 C LYS A 40 -4.925 -2.351 10.485 1.00 45.32 C ATOM 674 O LYS A 40 -5.151 -1.385 11.216 1.00 1.14 O ATOM 675 CB LYS A 40 -4.477 -4.707 11.254 1.00 20.31 C ATOM 676 CG LYS A 40 -3.580 -4.169 12.369 1.00 13.01 C ATOM 677 CD LYS A 40 -2.515 -5.186 12.779 1.00 12.53 C ATOM 678 CE LYS A 40 -1.519 -4.602 13.779 1.00 24.42 C ATOM 679 NZ LYS A 40 -2.177 -4.137 15.030 1.00 61.23 N ATOM 0 H LYS A 40 -5.935 -5.186 9.316 1.00 43.23 H new ATOM 0 HA LYS A 40 -6.298 -3.585 11.568 1.00 2.15 H new ATOM 0 HB2 LYS A 40 -4.962 -5.619 11.602 1.00 20.31 H new ATOM 0 HB3 LYS A 40 -3.854 -4.982 10.403 1.00 20.31 H new ATOM 0 HG2 LYS A 40 -3.097 -3.251 12.036 1.00 13.01 H new ATOM 0 HG3 LYS A 40 -4.190 -3.912 13.235 1.00 13.01 H new ATOM 0 HD2 LYS A 40 -2.998 -6.060 13.217 1.00 12.53 H new ATOM 0 HD3 LYS A 40 -1.980 -5.528 11.893 1.00 12.53 H new ATOM 0 HE2 LYS A 40 -0.770 -5.355 14.024 1.00 24.42 H new ATOM 0 HE3 LYS A 40 -0.992 -3.767 13.317 1.00 24.42 H new ATOM 0 HZ1 LYS A 40 -1.453 -3.828 15.709 1.00 61.23 H new ATOM 0 HZ2 LYS A 40 -2.811 -3.341 14.814 1.00 61.23 H new ATOM 0 HZ3 LYS A 40 -2.728 -4.916 15.443 1.00 61.23 H new ATOM 693 N TYR A 41 -4.137 -2.270 9.414 1.00 13.32 N ATOM 694 CA TYR A 41 -3.485 -1.011 9.036 1.00 4.14 C ATOM 695 C TYR A 41 -4.512 0.063 8.647 1.00 3.14 C ATOM 696 O TYR A 41 -4.305 1.251 8.893 1.00 15.41 O ATOM 697 CB TYR A 41 -2.485 -1.242 7.896 1.00 34.30 C ATOM 698 CG TYR A 41 -1.308 -2.112 8.298 1.00 54.21 C ATOM 699 CD1 TYR A 41 -0.435 -1.702 9.300 1.00 33.11 C ATOM 700 CD2 TYR A 41 -1.069 -3.338 7.684 1.00 3.22 C ATOM 701 CE1 TYR A 41 0.639 -2.486 9.677 1.00 13.02 C ATOM 702 CE2 TYR A 41 0.004 -4.126 8.055 1.00 41.02 C ATOM 703 CZ TYR A 41 0.853 -3.696 9.054 1.00 12.51 C ATOM 704 OH TYR A 41 1.924 -4.478 9.428 1.00 54.40 O ATOM 0 H TYR A 41 -3.934 -3.054 8.794 1.00 13.32 H new ATOM 0 HA TYR A 41 -2.941 -0.646 9.907 1.00 4.14 H new ATOM 0 HB2 TYR A 41 -3.002 -1.707 7.057 1.00 34.30 H new ATOM 0 HB3 TYR A 41 -2.113 -0.279 7.547 1.00 34.30 H new ATOM 0 HD1 TYR A 41 -0.599 -0.755 9.792 1.00 33.11 H new ATOM 0 HD2 TYR A 41 -1.734 -3.679 6.904 1.00 3.22 H new ATOM 0 HE1 TYR A 41 1.308 -2.152 10.457 1.00 13.02 H new ATOM 0 HE2 TYR A 41 0.177 -5.073 7.566 1.00 41.02 H new ATOM 0 HH TYR A 41 2.226 -5.008 8.661 1.00 54.40 H new ATOM 714 N LEU A 42 -5.626 -0.355 8.051 1.00 34.23 N ATOM 715 CA LEU A 42 -6.710 0.578 7.735 1.00 63.14 C ATOM 716 C LEU A 42 -7.290 1.216 9.007 1.00 1.24 C ATOM 717 O LEU A 42 -7.562 2.416 9.033 1.00 3.14 O ATOM 718 CB LEU A 42 -7.821 -0.119 6.941 1.00 64.24 C ATOM 719 CG LEU A 42 -7.456 -0.540 5.508 1.00 43.24 C ATOM 720 CD1 LEU A 42 -8.684 -1.077 4.781 1.00 52.12 C ATOM 721 CD2 LEU A 42 -6.833 0.624 4.734 1.00 14.31 C ATOM 0 H LEU A 42 -5.803 -1.322 7.779 1.00 34.23 H new ATOM 0 HA LEU A 42 -6.286 1.371 7.119 1.00 63.14 H new ATOM 0 HB2 LEU A 42 -8.133 -1.006 7.492 1.00 64.24 H new ATOM 0 HB3 LEU A 42 -8.682 0.548 6.895 1.00 64.24 H new ATOM 0 HG LEU A 42 -6.714 -1.336 5.567 1.00 43.24 H new ATOM 0 HD11 LEU A 42 -8.408 -1.370 3.768 1.00 52.12 H new ATOM 0 HD12 LEU A 42 -9.074 -1.943 5.316 1.00 52.12 H new ATOM 0 HD13 LEU A 42 -9.449 -0.302 4.738 1.00 52.12 H new ATOM 0 HD21 LEU A 42 -6.585 0.298 3.724 1.00 14.31 H new ATOM 0 HD22 LEU A 42 -7.543 1.450 4.685 1.00 14.31 H new ATOM 0 HD23 LEU A 42 -5.927 0.955 5.241 1.00 14.31 H new ATOM 733 N GLU A 43 -7.471 0.416 10.061 1.00 21.25 N ATOM 734 CA GLU A 43 -7.933 0.934 11.360 1.00 74.43 C ATOM 735 C GLU A 43 -7.032 2.079 11.851 1.00 65.43 C ATOM 736 O GLU A 43 -7.511 3.072 12.405 1.00 2.12 O ATOM 737 CB GLU A 43 -7.968 -0.189 12.408 1.00 43.51 C ATOM 738 CG GLU A 43 -9.106 -1.186 12.216 1.00 31.02 C ATOM 739 CD GLU A 43 -10.480 -0.552 12.402 1.00 72.21 C ATOM 740 OE1 GLU A 43 -10.743 0.009 13.488 1.00 11.33 O ATOM 741 OE2 GLU A 43 -11.307 -0.617 11.471 1.00 5.32 O ATOM 0 H GLU A 43 -7.306 -0.591 10.045 1.00 21.25 H new ATOM 0 HA GLU A 43 -8.942 1.323 11.223 1.00 74.43 H new ATOM 0 HB2 GLU A 43 -7.020 -0.726 12.380 1.00 43.51 H new ATOM 0 HB3 GLU A 43 -8.053 0.256 13.399 1.00 43.51 H new ATOM 0 HG2 GLU A 43 -9.041 -1.617 11.217 1.00 31.02 H new ATOM 0 HG3 GLU A 43 -8.989 -2.006 12.925 1.00 31.02 H new ATOM 748 N GLU A 44 -5.728 1.928 11.641 1.00 2.32 N ATOM 749 CA GLU A 44 -4.755 2.978 11.968 1.00 2.34 C ATOM 750 C GLU A 44 -5.023 4.255 11.154 1.00 4.35 C ATOM 751 O GLU A 44 -4.974 5.368 11.684 1.00 55.13 O ATOM 752 CB GLU A 44 -3.330 2.462 11.702 1.00 73.21 C ATOM 753 CG GLU A 44 -2.239 3.531 11.758 1.00 23.21 C ATOM 754 CD GLU A 44 -0.843 2.958 11.547 1.00 12.54 C ATOM 755 OE1 GLU A 44 -0.681 2.069 10.683 1.00 2.31 O ATOM 756 OE2 GLU A 44 0.102 3.393 12.245 1.00 3.54 O ATOM 0 H GLU A 44 -5.314 1.085 11.244 1.00 2.32 H new ATOM 0 HA GLU A 44 -4.857 3.229 13.024 1.00 2.34 H new ATOM 0 HB2 GLU A 44 -3.097 1.687 12.432 1.00 73.21 H new ATOM 0 HB3 GLU A 44 -3.307 1.991 10.719 1.00 73.21 H new ATOM 0 HG2 GLU A 44 -2.436 4.286 10.997 1.00 23.21 H new ATOM 0 HG3 GLU A 44 -2.279 4.034 12.724 1.00 23.21 H new ATOM 763 N PHE A 45 -5.333 4.081 9.871 1.00 74.10 N ATOM 764 CA PHE A 45 -5.549 5.210 8.959 1.00 72.45 C ATOM 765 C PHE A 45 -6.914 5.889 9.173 1.00 70.24 C ATOM 766 O PHE A 45 -7.054 7.092 8.953 1.00 62.21 O ATOM 767 CB PHE A 45 -5.421 4.740 7.501 1.00 33.51 C ATOM 768 CG PHE A 45 -4.120 4.035 7.202 1.00 61.44 C ATOM 769 CD1 PHE A 45 -2.967 4.332 7.914 1.00 4.33 C ATOM 770 CD2 PHE A 45 -4.056 3.067 6.211 1.00 71.31 C ATOM 771 CE1 PHE A 45 -1.781 3.680 7.644 1.00 65.42 C ATOM 772 CE2 PHE A 45 -2.871 2.414 5.937 1.00 53.32 C ATOM 773 CZ PHE A 45 -1.734 2.720 6.654 1.00 44.43 C ATOM 0 H PHE A 45 -5.441 3.165 9.435 1.00 74.10 H new ATOM 0 HA PHE A 45 -4.781 5.952 9.179 1.00 72.45 H new ATOM 0 HB2 PHE A 45 -6.249 4.069 7.271 1.00 33.51 H new ATOM 0 HB3 PHE A 45 -5.517 5.602 6.841 1.00 33.51 H new ATOM 0 HD1 PHE A 45 -2.998 5.083 8.689 1.00 4.33 H new ATOM 0 HD2 PHE A 45 -4.944 2.821 5.647 1.00 71.31 H new ATOM 0 HE1 PHE A 45 -0.891 3.921 8.207 1.00 65.42 H new ATOM 0 HE2 PHE A 45 -2.835 1.664 5.161 1.00 53.32 H new ATOM 0 HZ PHE A 45 -0.807 2.209 6.441 1.00 44.43 H new ATOM 783 N ARG A 46 -7.917 5.118 9.606 1.00 22.12 N ATOM 784 CA ARG A 46 -9.270 5.658 9.834 1.00 75.42 C ATOM 785 C ARG A 46 -9.247 6.846 10.810 1.00 44.15 C ATOM 786 O ARG A 46 -10.065 7.762 10.706 1.00 42.24 O ATOM 787 CB ARG A 46 -10.220 4.565 10.355 1.00 71.13 C ATOM 788 CG ARG A 46 -10.442 3.434 9.357 1.00 12.32 C ATOM 789 CD ARG A 46 -11.343 2.330 9.902 1.00 43.41 C ATOM 790 NE ARG A 46 -12.749 2.728 9.974 1.00 24.12 N ATOM 791 CZ ARG A 46 -13.733 1.906 10.238 1.00 22.33 C ATOM 792 NH1 ARG A 46 -13.500 0.679 10.579 1.00 74.41 N ATOM 793 NH2 ARG A 46 -14.953 2.319 10.185 1.00 4.25 N ATOM 0 H ARG A 46 -7.823 4.122 9.806 1.00 22.12 H new ATOM 0 HA ARG A 46 -9.640 6.015 8.873 1.00 75.42 H new ATOM 0 HB2 ARG A 46 -9.815 4.151 11.279 1.00 71.13 H new ATOM 0 HB3 ARG A 46 -11.181 5.016 10.602 1.00 71.13 H new ATOM 0 HG2 ARG A 46 -10.884 3.840 8.447 1.00 12.32 H new ATOM 0 HG3 ARG A 46 -9.478 3.006 9.080 1.00 12.32 H new ATOM 0 HD2 ARG A 46 -11.252 1.448 9.269 1.00 43.41 H new ATOM 0 HD3 ARG A 46 -11.000 2.045 10.897 1.00 43.41 H new ATOM 0 HE ARG A 46 -12.977 3.708 9.808 1.00 24.12 H new ATOM 0 HH11 ARG A 46 -12.540 0.342 10.645 1.00 74.41 H new ATOM 0 HH12 ARG A 46 -14.277 0.050 10.782 1.00 74.41 H new ATOM 0 HH21 ARG A 46 -15.153 3.288 9.937 1.00 4.25 H new ATOM 0 HH22 ARG A 46 -15.718 1.677 10.391 1.00 4.25 H new ATOM 807 N LYS A 47 -8.299 6.829 11.746 1.00 41.02 N ATOM 808 CA LYS A 47 -8.115 7.941 12.686 1.00 23.32 C ATOM 809 C LYS A 47 -7.893 9.268 11.941 1.00 5.13 C ATOM 810 O LYS A 47 -8.525 10.282 12.245 1.00 44.54 O ATOM 811 CB LYS A 47 -6.918 7.660 13.607 1.00 45.55 C ATOM 812 CG LYS A 47 -7.064 6.395 14.452 1.00 13.55 C ATOM 813 CD LYS A 47 -5.840 6.159 15.339 1.00 14.44 C ATOM 814 CE LYS A 47 -5.579 7.329 16.281 1.00 61.31 C ATOM 815 NZ LYS A 47 -6.717 7.567 17.210 1.00 60.33 N ATOM 0 H LYS A 47 -7.644 6.058 11.876 1.00 41.02 H new ATOM 0 HA LYS A 47 -9.022 8.029 13.283 1.00 23.32 H new ATOM 0 HB2 LYS A 47 -6.017 7.576 12.999 1.00 45.55 H new ATOM 0 HB3 LYS A 47 -6.776 8.513 14.271 1.00 45.55 H new ATOM 0 HG2 LYS A 47 -7.954 6.475 15.075 1.00 13.55 H new ATOM 0 HG3 LYS A 47 -7.210 5.536 13.797 1.00 13.55 H new ATOM 0 HD2 LYS A 47 -5.986 5.250 15.923 1.00 14.44 H new ATOM 0 HD3 LYS A 47 -4.964 5.997 14.711 1.00 14.44 H new ATOM 0 HE2 LYS A 47 -4.675 7.134 16.859 1.00 61.31 H new ATOM 0 HE3 LYS A 47 -5.395 8.230 15.696 1.00 61.31 H new ATOM 0 HZ1 LYS A 47 -6.450 8.291 17.908 1.00 60.33 H new ATOM 0 HZ2 LYS A 47 -7.543 7.895 16.670 1.00 60.33 H new ATOM 0 HZ3 LYS A 47 -6.954 6.682 17.703 1.00 60.33 H new ATOM 829 N GLU A 48 -7.010 9.238 10.948 1.00 70.31 N ATOM 830 CA GLU A 48 -6.648 10.438 10.186 1.00 53.34 C ATOM 831 C GLU A 48 -7.331 10.477 8.808 1.00 62.35 C ATOM 832 O GLU A 48 -6.810 11.087 7.873 1.00 35.12 O ATOM 833 CB GLU A 48 -5.124 10.491 10.007 1.00 24.33 C ATOM 834 CG GLU A 48 -4.344 10.566 11.317 1.00 52.31 C ATOM 835 CD GLU A 48 -4.674 11.809 12.127 1.00 4.03 C ATOM 836 OE1 GLU A 48 -4.202 12.909 11.761 1.00 62.25 O ATOM 837 OE2 GLU A 48 -5.402 11.698 13.135 1.00 52.45 O ATOM 0 H GLU A 48 -6.527 8.392 10.647 1.00 70.31 H new ATOM 0 HA GLU A 48 -6.993 11.305 10.749 1.00 53.34 H new ATOM 0 HB2 GLU A 48 -4.803 9.607 9.456 1.00 24.33 H new ATOM 0 HB3 GLU A 48 -4.871 11.357 9.396 1.00 24.33 H new ATOM 0 HG2 GLU A 48 -4.560 9.680 11.915 1.00 52.31 H new ATOM 0 HG3 GLU A 48 -3.276 10.552 11.100 1.00 52.31 H new ATOM 844 N SER A 49 -8.502 9.844 8.687 1.00 63.03 N ATOM 845 CA SER A 49 -9.248 9.830 7.412 1.00 31.12 C ATOM 846 C SER A 49 -9.809 11.221 7.061 1.00 34.05 C ATOM 847 O SER A 49 -11.018 11.456 7.102 1.00 75.24 O ATOM 848 CB SER A 49 -10.387 8.800 7.454 1.00 33.33 C ATOM 849 OG SER A 49 -11.137 8.802 6.246 1.00 14.54 O ATOM 0 H SER A 49 -8.956 9.337 9.446 1.00 63.03 H new ATOM 0 HA SER A 49 -8.541 9.545 6.632 1.00 31.12 H new ATOM 0 HB2 SER A 49 -9.974 7.806 7.625 1.00 33.33 H new ATOM 0 HB3 SER A 49 -11.047 9.020 8.293 1.00 33.33 H new ATOM 0 HG SER A 49 -11.853 8.135 6.304 1.00 14.54 H new ATOM 855 N GLN A 50 -8.907 12.141 6.731 1.00 43.12 N ATOM 856 CA GLN A 50 -9.257 13.524 6.384 1.00 51.52 C ATOM 857 C GLN A 50 -8.305 14.053 5.307 1.00 12.23 C ATOM 858 O GLN A 50 -8.720 14.393 4.197 1.00 75.03 O ATOM 859 CB GLN A 50 -9.178 14.436 7.624 1.00 14.44 C ATOM 860 CG GLN A 50 -10.191 14.116 8.719 1.00 21.32 C ATOM 861 CD GLN A 50 -11.635 14.293 8.268 1.00 62.32 C ATOM 862 OE1 GLN A 50 -11.938 15.114 7.407 1.00 53.54 O ATOM 863 NE2 GLN A 50 -12.540 13.536 8.852 1.00 32.30 N ATOM 0 H GLN A 50 -7.905 11.951 6.695 1.00 43.12 H new ATOM 0 HA GLN A 50 -10.279 13.529 6.005 1.00 51.52 H new ATOM 0 HB2 GLN A 50 -8.175 14.367 8.045 1.00 14.44 H new ATOM 0 HB3 GLN A 50 -9.320 15.469 7.307 1.00 14.44 H new ATOM 0 HG2 GLN A 50 -10.044 13.089 9.052 1.00 21.32 H new ATOM 0 HG3 GLN A 50 -10.004 14.760 9.578 1.00 21.32 H new ATOM 0 HE21 GLN A 50 -12.259 12.862 9.564 1.00 32.30 H new ATOM 0 HE22 GLN A 50 -13.522 13.623 8.592 1.00 32.30 H new ATOM 872 N ASN A 51 -7.019 14.099 5.649 1.00 33.42 N ATOM 873 CA ASN A 51 -5.979 14.591 4.739 1.00 25.14 C ATOM 874 C ASN A 51 -5.020 13.452 4.359 1.00 42.21 C ATOM 875 O ASN A 51 -3.826 13.670 4.166 1.00 44.11 O ATOM 876 CB ASN A 51 -5.188 15.725 5.416 1.00 60.54 C ATOM 877 CG ASN A 51 -6.080 16.706 6.159 1.00 75.33 C ATOM 878 OD1 ASN A 51 -6.581 17.673 5.593 1.00 25.50 O ATOM 879 ND2 ASN A 51 -6.270 16.478 7.443 1.00 43.34 N ATOM 0 H ASN A 51 -6.667 13.799 6.558 1.00 33.42 H new ATOM 0 HA ASN A 51 -6.456 14.969 3.835 1.00 25.14 H new ATOM 0 HB2 ASN A 51 -4.470 15.294 6.114 1.00 60.54 H new ATOM 0 HB3 ASN A 51 -4.615 16.263 4.661 1.00 60.54 H new ATOM 0 HD21 ASN A 51 -6.847 17.114 7.994 1.00 43.34 H new ATOM 0 HD22 ASN A 51 -5.840 15.666 7.886 1.00 43.34 H new ATOM 886 N ILE A 52 -5.548 12.236 4.235 1.00 22.33 N ATOM 887 CA ILE A 52 -4.705 11.049 4.037 1.00 52.24 C ATOM 888 C ILE A 52 -4.976 10.343 2.693 1.00 11.21 C ATOM 889 O ILE A 52 -6.111 10.293 2.219 1.00 13.51 O ATOM 890 CB ILE A 52 -4.905 10.031 5.197 1.00 0.43 C ATOM 891 CG1 ILE A 52 -3.874 8.889 5.108 1.00 32.41 C ATOM 892 CG2 ILE A 52 -6.325 9.469 5.179 1.00 22.04 C ATOM 893 CD1 ILE A 52 -3.952 7.896 6.250 1.00 31.32 C ATOM 0 H ILE A 52 -6.549 12.043 4.267 1.00 22.33 H new ATOM 0 HA ILE A 52 -3.675 11.406 4.027 1.00 52.24 H new ATOM 0 HB ILE A 52 -4.752 10.557 6.139 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -4.017 8.357 4.167 1.00 32.41 H new ATOM 0 HG13 ILE A 52 -2.873 9.319 5.082 1.00 32.41 H new ATOM 0 HG21 ILE A 52 -6.446 8.759 5.997 1.00 22.04 H new ATOM 0 HG22 ILE A 52 -7.040 10.283 5.296 1.00 22.04 H new ATOM 0 HG23 ILE A 52 -6.504 8.963 4.230 1.00 22.04 H new ATOM 0 HD11 ILE A 52 -3.194 7.124 6.114 1.00 31.32 H new ATOM 0 HD12 ILE A 52 -3.778 8.413 7.194 1.00 31.32 H new ATOM 0 HD13 ILE A 52 -4.940 7.436 6.265 1.00 31.32 H new ATOM 905 N LYS A 53 -3.913 9.821 2.077 1.00 40.33 N ATOM 906 CA LYS A 53 -4.030 8.965 0.888 1.00 2.21 C ATOM 907 C LYS A 53 -3.146 7.721 1.047 1.00 64.31 C ATOM 908 O LYS A 53 -1.970 7.833 1.402 1.00 11.32 O ATOM 909 CB LYS A 53 -3.622 9.720 -0.387 1.00 43.30 C ATOM 910 CG LYS A 53 -4.361 11.039 -0.595 1.00 4.12 C ATOM 911 CD LYS A 53 -4.141 11.609 -1.999 1.00 42.14 C ATOM 912 CE LYS A 53 -4.620 10.646 -3.086 1.00 24.32 C ATOM 913 NZ LYS A 53 -6.063 10.308 -2.945 1.00 44.14 N ATOM 0 H LYS A 53 -2.953 9.976 2.383 1.00 40.33 H new ATOM 0 HA LYS A 53 -5.074 8.667 0.794 1.00 2.21 H new ATOM 0 HB2 LYS A 53 -2.551 9.918 -0.352 1.00 43.30 H new ATOM 0 HB3 LYS A 53 -3.799 9.077 -1.249 1.00 43.30 H new ATOM 0 HG2 LYS A 53 -5.427 10.886 -0.430 1.00 4.12 H new ATOM 0 HG3 LYS A 53 -4.024 11.763 0.146 1.00 4.12 H new ATOM 0 HD2 LYS A 53 -4.672 12.556 -2.094 1.00 42.14 H new ATOM 0 HD3 LYS A 53 -3.082 11.821 -2.143 1.00 42.14 H new ATOM 0 HE2 LYS A 53 -4.448 11.092 -4.065 1.00 24.32 H new ATOM 0 HE3 LYS A 53 -4.029 9.731 -3.044 1.00 24.32 H new ATOM 0 HZ1 LYS A 53 -6.404 9.870 -3.824 1.00 44.14 H new ATOM 0 HZ2 LYS A 53 -6.188 9.643 -2.155 1.00 44.14 H new ATOM 0 HZ3 LYS A 53 -6.606 11.175 -2.757 1.00 44.14 H new ATOM 927 N VAL A 54 -3.704 6.540 0.789 1.00 5.43 N ATOM 928 CA VAL A 54 -2.958 5.283 0.949 1.00 1.35 C ATOM 929 C VAL A 54 -2.728 4.566 -0.396 1.00 33.32 C ATOM 930 O VAL A 54 -3.676 4.200 -1.084 1.00 45.32 O ATOM 931 CB VAL A 54 -3.693 4.320 1.915 1.00 53.33 C ATOM 932 CG1 VAL A 54 -2.883 3.040 2.134 1.00 52.44 C ATOM 933 CG2 VAL A 54 -3.989 5.013 3.245 1.00 1.13 C ATOM 0 H VAL A 54 -4.665 6.422 0.469 1.00 5.43 H new ATOM 0 HA VAL A 54 -1.988 5.553 1.366 1.00 1.35 H new ATOM 0 HB VAL A 54 -4.642 4.040 1.458 1.00 53.33 H new ATOM 0 HG11 VAL A 54 -3.421 2.381 2.816 1.00 52.44 H new ATOM 0 HG12 VAL A 54 -2.737 2.534 1.180 1.00 52.44 H new ATOM 0 HG13 VAL A 54 -1.913 3.292 2.563 1.00 52.44 H new ATOM 0 HG21 VAL A 54 -4.505 4.320 3.909 1.00 1.13 H new ATOM 0 HG22 VAL A 54 -3.054 5.329 3.707 1.00 1.13 H new ATOM 0 HG23 VAL A 54 -4.619 5.885 3.069 1.00 1.13 H new ATOM 943 N LEU A 55 -1.463 4.362 -0.758 1.00 41.52 N ATOM 944 CA LEU A 55 -1.104 3.605 -1.965 1.00 24.44 C ATOM 945 C LEU A 55 -0.932 2.114 -1.633 1.00 12.54 C ATOM 946 O LEU A 55 -0.145 1.759 -0.761 1.00 43.53 O ATOM 947 CB LEU A 55 0.200 4.152 -2.563 1.00 24.34 C ATOM 948 CG LEU A 55 0.676 3.462 -3.856 1.00 51.30 C ATOM 949 CD1 LEU A 55 -0.294 3.728 -5.005 1.00 2.22 C ATOM 950 CD2 LEU A 55 2.088 3.912 -4.221 1.00 41.34 C ATOM 0 H LEU A 55 -0.662 4.711 -0.232 1.00 41.52 H new ATOM 0 HA LEU A 55 -1.908 3.715 -2.692 1.00 24.44 H new ATOM 0 HB2 LEU A 55 0.069 5.215 -2.766 1.00 24.34 H new ATOM 0 HB3 LEU A 55 0.987 4.065 -1.814 1.00 24.34 H new ATOM 0 HG LEU A 55 0.698 2.387 -3.677 1.00 51.30 H new ATOM 0 HD11 LEU A 55 0.064 3.230 -5.906 1.00 2.22 H new ATOM 0 HD12 LEU A 55 -1.280 3.343 -4.745 1.00 2.22 H new ATOM 0 HD13 LEU A 55 -0.360 4.801 -5.185 1.00 2.22 H new ATOM 0 HD21 LEU A 55 2.404 3.412 -5.137 1.00 41.34 H new ATOM 0 HD22 LEU A 55 2.098 4.991 -4.374 1.00 41.34 H new ATOM 0 HD23 LEU A 55 2.772 3.654 -3.413 1.00 41.34 H new ATOM 962 N ILE A 56 -1.666 1.246 -2.324 1.00 4.22 N ATOM 963 CA ILE A 56 -1.612 -0.199 -2.051 1.00 62.24 C ATOM 964 C ILE A 56 -1.054 -0.982 -3.252 1.00 51.05 C ATOM 965 O ILE A 56 -1.613 -0.945 -4.349 1.00 45.15 O ATOM 966 CB ILE A 56 -3.012 -0.760 -1.681 1.00 40.54 C ATOM 967 CG1 ILE A 56 -3.581 -0.014 -0.458 1.00 4.02 C ATOM 968 CG2 ILE A 56 -2.941 -2.267 -1.411 1.00 52.42 C ATOM 969 CD1 ILE A 56 -4.954 -0.493 -0.026 1.00 3.31 C ATOM 0 H ILE A 56 -2.304 1.510 -3.075 1.00 4.22 H new ATOM 0 HA ILE A 56 -0.941 -0.329 -1.202 1.00 62.24 H new ATOM 0 HB ILE A 56 -3.681 -0.600 -2.527 1.00 40.54 H new ATOM 0 HG12 ILE A 56 -2.889 -0.126 0.377 1.00 4.02 H new ATOM 0 HG13 ILE A 56 -3.634 1.050 -0.687 1.00 4.02 H new ATOM 0 HG21 ILE A 56 -3.933 -2.638 -1.154 1.00 52.42 H new ATOM 0 HG22 ILE A 56 -2.582 -2.780 -2.303 1.00 52.42 H new ATOM 0 HG23 ILE A 56 -2.257 -2.457 -0.584 1.00 52.42 H new ATOM 0 HD11 ILE A 56 -5.284 0.081 0.840 1.00 3.31 H new ATOM 0 HD12 ILE A 56 -5.661 -0.355 -0.844 1.00 3.31 H new ATOM 0 HD13 ILE A 56 -4.905 -1.550 0.237 1.00 3.31 H new ATOM 981 N LEU A 57 0.051 -1.695 -3.025 1.00 71.44 N ATOM 982 CA LEU A 57 0.695 -2.503 -4.071 1.00 13.20 C ATOM 983 C LEU A 57 0.484 -4.002 -3.801 1.00 62.20 C ATOM 984 O LEU A 57 0.944 -4.527 -2.789 1.00 31.24 O ATOM 985 CB LEU A 57 2.205 -2.206 -4.145 1.00 12.42 C ATOM 986 CG LEU A 57 2.602 -0.776 -4.572 1.00 20.33 C ATOM 987 CD1 LEU A 57 1.912 -0.381 -5.876 1.00 23.45 C ATOM 988 CD2 LEU A 57 2.302 0.237 -3.468 1.00 41.45 C ATOM 0 H LEU A 57 0.523 -1.731 -2.122 1.00 71.44 H new ATOM 0 HA LEU A 57 0.235 -2.239 -5.023 1.00 13.20 H new ATOM 0 HB2 LEU A 57 2.641 -2.404 -3.166 1.00 12.42 H new ATOM 0 HB3 LEU A 57 2.658 -2.910 -4.843 1.00 12.42 H new ATOM 0 HG LEU A 57 3.678 -0.771 -4.745 1.00 20.33 H new ATOM 0 HD11 LEU A 57 2.209 0.630 -6.153 1.00 23.45 H new ATOM 0 HD12 LEU A 57 2.202 -1.074 -6.666 1.00 23.45 H new ATOM 0 HD13 LEU A 57 0.831 -0.417 -5.741 1.00 23.45 H new ATOM 0 HD21 LEU A 57 2.593 1.234 -3.800 1.00 41.45 H new ATOM 0 HD22 LEU A 57 1.235 0.226 -3.244 1.00 41.45 H new ATOM 0 HD23 LEU A 57 2.864 -0.025 -2.571 1.00 41.45 H new ATOM 1000 N VAL A 58 -0.209 -4.687 -4.709 1.00 2.33 N ATOM 1001 CA VAL A 58 -0.526 -6.113 -4.532 1.00 32.34 C ATOM 1002 C VAL A 58 0.073 -6.982 -5.649 1.00 72.52 C ATOM 1003 O VAL A 58 0.262 -6.522 -6.771 1.00 73.22 O ATOM 1004 CB VAL A 58 -2.055 -6.338 -4.498 1.00 32.11 C ATOM 1005 CG1 VAL A 58 -2.689 -5.585 -3.335 1.00 45.43 C ATOM 1006 CG2 VAL A 58 -2.691 -5.916 -5.816 1.00 63.33 C ATOM 0 H VAL A 58 -0.564 -4.283 -5.576 1.00 2.33 H new ATOM 0 HA VAL A 58 -0.084 -6.410 -3.581 1.00 32.34 H new ATOM 0 HB VAL A 58 -2.236 -7.403 -4.354 1.00 32.11 H new ATOM 0 HG11 VAL A 58 -3.765 -5.759 -3.332 1.00 45.43 H new ATOM 0 HG12 VAL A 58 -2.262 -5.939 -2.397 1.00 45.43 H new ATOM 0 HG13 VAL A 58 -2.494 -4.518 -3.443 1.00 45.43 H new ATOM 0 HG21 VAL A 58 -3.767 -6.083 -5.771 1.00 63.33 H new ATOM 0 HG22 VAL A 58 -2.495 -4.858 -5.993 1.00 63.33 H new ATOM 0 HG23 VAL A 58 -2.267 -6.504 -6.630 1.00 63.33 H new ATOM 1016 N SER A 59 0.361 -8.246 -5.338 1.00 5.44 N ATOM 1017 CA SER A 59 0.913 -9.186 -6.331 1.00 43.13 C ATOM 1018 C SER A 59 -0.188 -9.993 -7.043 1.00 34.14 C ATOM 1019 O SER A 59 0.039 -10.557 -8.115 1.00 74.32 O ATOM 1020 CB SER A 59 1.895 -10.153 -5.657 1.00 5.15 C ATOM 1021 OG SER A 59 1.251 -10.910 -4.642 1.00 60.54 O ATOM 0 H SER A 59 0.224 -8.648 -4.411 1.00 5.44 H new ATOM 0 HA SER A 59 1.432 -8.589 -7.081 1.00 43.13 H new ATOM 0 HB2 SER A 59 2.318 -10.825 -6.403 1.00 5.15 H new ATOM 0 HB3 SER A 59 2.724 -9.592 -5.226 1.00 5.15 H new ATOM 0 HG SER A 59 1.897 -11.520 -4.229 1.00 60.54 H new ATOM 1027 N ASN A 60 -1.382 -10.046 -6.446 1.00 2.42 N ATOM 1028 CA ASN A 60 -2.497 -10.842 -6.994 1.00 54.53 C ATOM 1029 C ASN A 60 -3.741 -9.975 -7.261 1.00 61.14 C ATOM 1030 O ASN A 60 -4.075 -9.092 -6.467 1.00 53.45 O ATOM 1031 CB ASN A 60 -2.862 -11.975 -6.023 1.00 24.31 C ATOM 1032 CG ASN A 60 -1.692 -12.893 -5.715 1.00 24.50 C ATOM 1033 OD1 ASN A 60 -0.822 -13.119 -6.548 1.00 13.14 O ATOM 1034 ND2 ASN A 60 -1.664 -13.436 -4.514 1.00 45.02 N ATOM 0 H ASN A 60 -1.607 -9.550 -5.584 1.00 2.42 H new ATOM 0 HA ASN A 60 -2.165 -11.260 -7.944 1.00 54.53 H new ATOM 0 HB2 ASN A 60 -3.233 -11.544 -5.093 1.00 24.31 H new ATOM 0 HB3 ASN A 60 -3.675 -12.563 -6.448 1.00 24.31 H new ATOM 0 HD21 ASN A 60 -0.903 -14.064 -4.256 1.00 45.02 H new ATOM 0 HD22 ASN A 60 -2.403 -13.228 -3.843 1.00 45.02 H new ATOM 1041 N ASP A 61 -4.440 -10.247 -8.368 1.00 45.43 N ATOM 1042 CA ASP A 61 -5.663 -9.509 -8.726 1.00 63.52 C ATOM 1043 C ASP A 61 -6.772 -9.689 -7.673 1.00 0.54 C ATOM 1044 O ASP A 61 -7.560 -8.773 -7.423 1.00 50.41 O ATOM 1045 CB ASP A 61 -6.175 -9.959 -10.100 1.00 21.24 C ATOM 1046 CG ASP A 61 -5.225 -9.581 -11.221 1.00 42.55 C ATOM 1047 OD1 ASP A 61 -4.312 -10.372 -11.526 1.00 43.24 O ATOM 1048 OD2 ASP A 61 -5.378 -8.482 -11.797 1.00 32.12 O ATOM 0 H ASP A 61 -4.182 -10.974 -9.035 1.00 45.43 H new ATOM 0 HA ASP A 61 -5.404 -8.451 -8.762 1.00 63.52 H new ATOM 0 HB2 ASP A 61 -6.317 -11.040 -10.096 1.00 21.24 H new ATOM 0 HB3 ASP A 61 -7.151 -9.510 -10.287 1.00 21.24 H new ATOM 1053 N GLU A 62 -6.835 -10.870 -7.070 1.00 31.14 N ATOM 1054 CA GLU A 62 -7.803 -11.147 -6.004 1.00 73.23 C ATOM 1055 C GLU A 62 -7.530 -10.269 -4.773 1.00 62.52 C ATOM 1056 O GLU A 62 -8.433 -9.611 -4.257 1.00 15.21 O ATOM 1057 CB GLU A 62 -7.766 -12.637 -5.638 1.00 24.43 C ATOM 1058 CG GLU A 62 -8.733 -13.040 -4.529 1.00 34.21 C ATOM 1059 CD GLU A 62 -8.912 -14.547 -4.434 1.00 35.34 C ATOM 1060 OE1 GLU A 62 -7.949 -15.247 -4.046 1.00 22.35 O ATOM 1061 OE2 GLU A 62 -10.007 -15.044 -4.781 1.00 30.44 O ATOM 0 H GLU A 62 -6.227 -11.657 -7.299 1.00 31.14 H new ATOM 0 HA GLU A 62 -8.802 -10.903 -6.366 1.00 73.23 H new ATOM 0 HB2 GLU A 62 -7.991 -13.223 -6.529 1.00 24.43 H new ATOM 0 HB3 GLU A 62 -6.753 -12.898 -5.332 1.00 24.43 H new ATOM 0 HG2 GLU A 62 -8.367 -12.660 -3.575 1.00 34.21 H new ATOM 0 HG3 GLU A 62 -9.701 -12.573 -4.708 1.00 34.21 H new ATOM 1068 N GLU A 63 -6.275 -10.241 -4.326 1.00 61.41 N ATOM 1069 CA GLU A 63 -5.869 -9.377 -3.210 1.00 31.14 C ATOM 1070 C GLU A 63 -6.120 -7.897 -3.554 1.00 71.13 C ATOM 1071 O GLU A 63 -6.433 -7.084 -2.684 1.00 1.23 O ATOM 1072 CB GLU A 63 -4.382 -9.596 -2.877 1.00 72.44 C ATOM 1073 CG GLU A 63 -3.988 -11.062 -2.686 1.00 34.33 C ATOM 1074 CD GLU A 63 -4.736 -11.759 -1.553 1.00 3.11 C ATOM 1075 OE1 GLU A 63 -5.894 -12.175 -1.764 1.00 3.52 O ATOM 1076 OE2 GLU A 63 -4.149 -11.933 -0.465 1.00 51.13 O ATOM 0 H GLU A 63 -5.520 -10.805 -4.717 1.00 61.41 H new ATOM 0 HA GLU A 63 -6.468 -9.639 -2.338 1.00 31.14 H new ATOM 0 HB2 GLU A 63 -3.776 -9.171 -3.677 1.00 72.44 H new ATOM 0 HB3 GLU A 63 -4.141 -9.046 -1.968 1.00 72.44 H new ATOM 0 HG2 GLU A 63 -4.171 -11.602 -3.615 1.00 34.33 H new ATOM 0 HG3 GLU A 63 -2.917 -11.118 -2.490 1.00 34.33 H new ATOM 1083 N LEU A 64 -5.980 -7.564 -4.840 1.00 5.10 N ATOM 1084 CA LEU A 64 -6.290 -6.221 -5.344 1.00 4.44 C ATOM 1085 C LEU A 64 -7.753 -5.863 -5.065 1.00 73.04 C ATOM 1086 O LEU A 64 -8.059 -4.779 -4.561 1.00 22.35 O ATOM 1087 CB LEU A 64 -6.027 -6.153 -6.859 1.00 23.52 C ATOM 1088 CG LEU A 64 -6.233 -4.774 -7.511 1.00 1.32 C ATOM 1089 CD1 LEU A 64 -5.171 -3.788 -7.036 1.00 24.23 C ATOM 1090 CD2 LEU A 64 -6.222 -4.888 -9.034 1.00 22.51 C ATOM 0 H LEU A 64 -5.651 -8.211 -5.557 1.00 5.10 H new ATOM 0 HA LEU A 64 -5.647 -5.506 -4.830 1.00 4.44 H new ATOM 0 HB2 LEU A 64 -5.002 -6.473 -7.046 1.00 23.52 H new ATOM 0 HB3 LEU A 64 -6.681 -6.870 -7.355 1.00 23.52 H new ATOM 0 HG LEU A 64 -7.209 -4.396 -7.206 1.00 1.32 H new ATOM 0 HD11 LEU A 64 -5.336 -2.820 -7.509 1.00 24.23 H new ATOM 0 HD12 LEU A 64 -5.235 -3.678 -5.953 1.00 24.23 H new ATOM 0 HD13 LEU A 64 -4.183 -4.160 -7.305 1.00 24.23 H new ATOM 0 HD21 LEU A 64 -6.369 -3.902 -9.474 1.00 22.51 H new ATOM 0 HD22 LEU A 64 -5.264 -5.292 -9.362 1.00 22.51 H new ATOM 0 HD23 LEU A 64 -7.025 -5.552 -9.355 1.00 22.51 H new ATOM 1102 N ASP A 65 -8.652 -6.790 -5.394 1.00 61.02 N ATOM 1103 CA ASP A 65 -10.087 -6.564 -5.234 1.00 3.25 C ATOM 1104 C ASP A 65 -10.488 -6.555 -3.748 1.00 61.14 C ATOM 1105 O ASP A 65 -11.344 -5.777 -3.332 1.00 23.11 O ATOM 1106 CB ASP A 65 -10.884 -7.621 -6.010 1.00 72.25 C ATOM 1107 CG ASP A 65 -12.226 -7.087 -6.482 1.00 74.12 C ATOM 1108 OD1 ASP A 65 -12.231 -6.231 -7.397 1.00 3.30 O ATOM 1109 OD2 ASP A 65 -13.273 -7.498 -5.943 1.00 11.15 O ATOM 0 H ASP A 65 -8.411 -7.706 -5.773 1.00 61.02 H new ATOM 0 HA ASP A 65 -10.324 -5.582 -5.644 1.00 3.25 H new ATOM 0 HB2 ASP A 65 -10.303 -7.954 -6.870 1.00 72.25 H new ATOM 0 HB3 ASP A 65 -11.043 -8.493 -5.376 1.00 72.25 H new ATOM 1114 N LYS A 66 -9.853 -7.410 -2.948 1.00 44.50 N ATOM 1115 CA LYS A 66 -10.096 -7.433 -1.501 1.00 51.35 C ATOM 1116 C LYS A 66 -9.677 -6.107 -0.839 1.00 21.14 C ATOM 1117 O LYS A 66 -10.403 -5.559 -0.006 1.00 63.41 O ATOM 1118 CB LYS A 66 -9.345 -8.601 -0.845 1.00 31.03 C ATOM 1119 CG LYS A 66 -9.762 -9.985 -1.349 1.00 24.15 C ATOM 1120 CD LYS A 66 -11.267 -10.225 -1.225 1.00 10.51 C ATOM 1121 CE LYS A 66 -11.783 -10.008 0.194 1.00 12.41 C ATOM 1122 NZ LYS A 66 -13.254 -10.199 0.282 1.00 63.51 N ATOM 0 H LYS A 66 -9.169 -8.094 -3.272 1.00 44.50 H new ATOM 0 HA LYS A 66 -11.167 -7.567 -1.352 1.00 51.35 H new ATOM 0 HB2 LYS A 66 -8.276 -8.472 -1.017 1.00 31.03 H new ATOM 0 HB3 LYS A 66 -9.502 -8.558 0.233 1.00 31.03 H new ATOM 0 HG2 LYS A 66 -9.465 -10.093 -2.392 1.00 24.15 H new ATOM 0 HG3 LYS A 66 -9.228 -10.750 -0.785 1.00 24.15 H new ATOM 0 HD2 LYS A 66 -11.795 -9.556 -1.905 1.00 10.51 H new ATOM 0 HD3 LYS A 66 -11.495 -11.244 -1.538 1.00 10.51 H new ATOM 0 HE2 LYS A 66 -11.285 -10.702 0.872 1.00 12.41 H new ATOM 0 HE3 LYS A 66 -11.527 -9.001 0.524 1.00 12.41 H new ATOM 0 HZ1 LYS A 66 -13.576 -9.977 1.246 1.00 63.51 H new ATOM 0 HZ2 LYS A 66 -13.727 -9.567 -0.395 1.00 63.51 H new ATOM 0 HZ3 LYS A 66 -13.490 -11.187 0.057 1.00 63.51 H new ATOM 1136 N ALA A 67 -8.513 -5.587 -1.230 1.00 54.42 N ATOM 1137 CA ALA A 67 -8.011 -4.314 -0.701 1.00 5.41 C ATOM 1138 C ALA A 67 -8.993 -3.158 -0.963 1.00 71.43 C ATOM 1139 O ALA A 67 -9.284 -2.359 -0.070 1.00 1.43 O ATOM 1140 CB ALA A 67 -6.646 -3.999 -1.307 1.00 70.23 C ATOM 0 H ALA A 67 -7.897 -6.028 -1.913 1.00 54.42 H new ATOM 0 HA ALA A 67 -7.911 -4.418 0.379 1.00 5.41 H new ATOM 0 HB1 ALA A 67 -6.281 -3.052 -0.909 1.00 70.23 H new ATOM 0 HB2 ALA A 67 -5.944 -4.794 -1.055 1.00 70.23 H new ATOM 0 HB3 ALA A 67 -6.737 -3.926 -2.391 1.00 70.23 H new ATOM 1146 N LYS A 68 -9.508 -3.075 -2.192 1.00 5.41 N ATOM 1147 CA LYS A 68 -10.490 -2.039 -2.540 1.00 54.44 C ATOM 1148 C LYS A 68 -11.842 -2.286 -1.849 1.00 42.20 C ATOM 1149 O LYS A 68 -12.572 -1.336 -1.556 1.00 61.01 O ATOM 1150 CB LYS A 68 -10.661 -1.920 -4.068 1.00 30.24 C ATOM 1151 CG LYS A 68 -10.872 -3.247 -4.783 1.00 75.52 C ATOM 1152 CD LYS A 68 -10.893 -3.086 -6.305 1.00 53.11 C ATOM 1153 CE LYS A 68 -12.240 -2.586 -6.817 1.00 74.20 C ATOM 1154 NZ LYS A 68 -13.296 -3.632 -6.724 1.00 54.44 N ATOM 0 H LYS A 68 -9.266 -3.704 -2.957 1.00 5.41 H new ATOM 0 HA LYS A 68 -10.103 -1.089 -2.173 1.00 54.44 H new ATOM 0 HB2 LYS A 68 -11.511 -1.270 -4.277 1.00 30.24 H new ATOM 0 HB3 LYS A 68 -9.778 -1.434 -4.483 1.00 30.24 H new ATOM 0 HG2 LYS A 68 -10.078 -3.939 -4.503 1.00 75.52 H new ATOM 0 HG3 LYS A 68 -11.812 -3.690 -4.453 1.00 75.52 H new ATOM 0 HD2 LYS A 68 -10.111 -2.388 -6.605 1.00 53.11 H new ATOM 0 HD3 LYS A 68 -10.662 -4.043 -6.772 1.00 53.11 H new ATOM 0 HE2 LYS A 68 -12.544 -1.712 -6.242 1.00 74.20 H new ATOM 0 HE3 LYS A 68 -12.137 -2.266 -7.854 1.00 74.20 H new ATOM 0 HZ1 LYS A 68 -14.078 -3.394 -7.368 1.00 54.44 H new ATOM 0 HZ2 LYS A 68 -12.896 -4.554 -6.991 1.00 54.44 H new ATOM 0 HZ3 LYS A 68 -13.653 -3.679 -5.748 1.00 54.44 H new ATOM 1168 N GLU A 69 -12.175 -3.554 -1.575 1.00 1.12 N ATOM 1169 CA GLU A 69 -13.372 -3.870 -0.781 1.00 55.23 C ATOM 1170 C GLU A 69 -13.257 -3.296 0.633 1.00 4.53 C ATOM 1171 O GLU A 69 -14.131 -2.555 1.081 1.00 75.04 O ATOM 1172 CB GLU A 69 -13.613 -5.383 -0.676 1.00 4.41 C ATOM 1173 CG GLU A 69 -14.128 -6.036 -1.951 1.00 40.32 C ATOM 1174 CD GLU A 69 -14.745 -7.396 -1.679 1.00 63.31 C ATOM 1175 OE1 GLU A 69 -15.958 -7.448 -1.379 1.00 20.11 O ATOM 1176 OE2 GLU A 69 -14.030 -8.415 -1.732 1.00 33.24 O ATOM 0 H GLU A 69 -11.643 -4.367 -1.885 1.00 1.12 H new ATOM 0 HA GLU A 69 -14.215 -3.415 -1.302 1.00 55.23 H new ATOM 0 HB2 GLU A 69 -12.680 -5.867 -0.388 1.00 4.41 H new ATOM 0 HB3 GLU A 69 -14.328 -5.568 0.125 1.00 4.41 H new ATOM 0 HG2 GLU A 69 -14.869 -5.387 -2.418 1.00 40.32 H new ATOM 0 HG3 GLU A 69 -13.308 -6.144 -2.661 1.00 40.32 H new ATOM 1183 N LEU A 70 -12.179 -3.652 1.333 1.00 61.15 N ATOM 1184 CA LEU A 70 -11.927 -3.141 2.682 1.00 62.23 C ATOM 1185 C LEU A 70 -11.948 -1.606 2.701 1.00 2.33 C ATOM 1186 O LEU A 70 -12.604 -0.999 3.543 1.00 1.35 O ATOM 1187 CB LEU A 70 -10.585 -3.670 3.215 1.00 22.32 C ATOM 1188 CG LEU A 70 -10.548 -5.179 3.511 1.00 31.21 C ATOM 1189 CD1 LEU A 70 -9.156 -5.618 3.953 1.00 71.44 C ATOM 1190 CD2 LEU A 70 -11.583 -5.541 4.572 1.00 21.03 C ATOM 0 H LEU A 70 -11.465 -4.293 0.988 1.00 61.15 H new ATOM 0 HA LEU A 70 -12.724 -3.497 3.335 1.00 62.23 H new ATOM 0 HB2 LEU A 70 -9.807 -3.439 2.487 1.00 22.32 H new ATOM 0 HB3 LEU A 70 -10.337 -3.130 4.129 1.00 22.32 H new ATOM 0 HG LEU A 70 -10.792 -5.709 2.590 1.00 31.21 H new ATOM 0 HD11 LEU A 70 -9.159 -6.689 4.155 1.00 71.44 H new ATOM 0 HD12 LEU A 70 -8.438 -5.400 3.162 1.00 71.44 H new ATOM 0 HD13 LEU A 70 -8.874 -5.079 4.857 1.00 71.44 H new ATOM 0 HD21 LEU A 70 -11.543 -6.612 4.769 1.00 21.03 H new ATOM 0 HD22 LEU A 70 -11.369 -4.995 5.491 1.00 21.03 H new ATOM 0 HD23 LEU A 70 -12.578 -5.275 4.215 1.00 21.03 H new ATOM 1202 N ALA A 71 -11.252 -0.990 1.749 1.00 23.30 N ATOM 1203 CA ALA A 71 -11.244 0.472 1.619 1.00 2.11 C ATOM 1204 C ALA A 71 -12.669 1.049 1.536 1.00 4.33 C ATOM 1205 O ALA A 71 -13.053 1.897 2.340 1.00 64.13 O ATOM 1206 CB ALA A 71 -10.439 0.882 0.395 1.00 70.34 C ATOM 0 H ALA A 71 -10.685 -1.477 1.055 1.00 23.30 H new ATOM 0 HA ALA A 71 -10.777 0.881 2.515 1.00 2.11 H new ATOM 0 HB1 ALA A 71 -10.439 1.968 0.307 1.00 70.34 H new ATOM 0 HB2 ALA A 71 -9.414 0.526 0.498 1.00 70.34 H new ATOM 0 HB3 ALA A 71 -10.887 0.446 -0.498 1.00 70.34 H new ATOM 1212 N GLN A 72 -13.449 0.576 0.563 1.00 33.05 N ATOM 1213 CA GLN A 72 -14.831 1.039 0.376 1.00 5.14 C ATOM 1214 C GLN A 72 -15.707 0.769 1.611 1.00 41.20 C ATOM 1215 O GLN A 72 -16.403 1.660 2.101 1.00 71.20 O ATOM 1216 CB GLN A 72 -15.460 0.356 -0.847 1.00 40.34 C ATOM 1217 CG GLN A 72 -14.829 0.750 -2.177 1.00 44.10 C ATOM 1218 CD GLN A 72 -15.482 0.053 -3.358 1.00 14.11 C ATOM 1219 OE1 GLN A 72 -16.665 -0.276 -3.326 1.00 52.32 O ATOM 1220 NE2 GLN A 72 -14.720 -0.174 -4.407 1.00 71.14 N ATOM 0 H GLN A 72 -13.149 -0.129 -0.111 1.00 33.05 H new ATOM 0 HA GLN A 72 -14.786 2.117 0.222 1.00 5.14 H new ATOM 0 HB2 GLN A 72 -15.381 -0.724 -0.726 1.00 40.34 H new ATOM 0 HB3 GLN A 72 -16.523 0.596 -0.877 1.00 40.34 H new ATOM 0 HG2 GLN A 72 -14.907 1.829 -2.307 1.00 44.10 H new ATOM 0 HG3 GLN A 72 -13.767 0.507 -2.158 1.00 44.10 H new ATOM 0 HE21 GLN A 72 -13.741 0.113 -4.398 1.00 71.14 H new ATOM 0 HE22 GLN A 72 -15.108 -0.637 -5.229 1.00 71.14 H new ATOM 1229 N LYS A 73 -15.671 -0.465 2.107 1.00 72.22 N ATOM 1230 CA LYS A 73 -16.530 -0.890 3.224 1.00 2.31 C ATOM 1231 C LYS A 73 -16.116 -0.248 4.563 1.00 60.24 C ATOM 1232 O LYS A 73 -16.919 -0.163 5.495 1.00 32.34 O ATOM 1233 CB LYS A 73 -16.528 -2.425 3.336 1.00 15.51 C ATOM 1234 CG LYS A 73 -17.143 -3.126 2.123 1.00 70.33 C ATOM 1235 CD LYS A 73 -17.151 -4.644 2.282 1.00 62.03 C ATOM 1236 CE LYS A 73 -17.913 -5.335 1.152 1.00 63.10 C ATOM 1237 NZ LYS A 73 -17.246 -5.174 -0.172 1.00 65.22 N ATOM 0 H LYS A 73 -15.054 -1.197 1.755 1.00 72.22 H new ATOM 0 HA LYS A 73 -17.541 -0.544 3.008 1.00 2.31 H new ATOM 0 HB2 LYS A 73 -15.502 -2.771 3.464 1.00 15.51 H new ATOM 0 HB3 LYS A 73 -17.077 -2.717 4.231 1.00 15.51 H new ATOM 0 HG2 LYS A 73 -18.164 -2.771 1.978 1.00 70.33 H new ATOM 0 HG3 LYS A 73 -16.583 -2.858 1.227 1.00 70.33 H new ATOM 0 HD2 LYS A 73 -16.125 -5.011 2.305 1.00 62.03 H new ATOM 0 HD3 LYS A 73 -17.605 -4.906 3.238 1.00 62.03 H new ATOM 0 HE2 LYS A 73 -18.009 -6.397 1.380 1.00 63.10 H new ATOM 0 HE3 LYS A 73 -18.923 -4.928 1.098 1.00 63.10 H new ATOM 0 HZ1 LYS A 73 -17.923 -4.780 -0.856 1.00 65.22 H new ATOM 0 HZ2 LYS A 73 -16.436 -4.529 -0.076 1.00 65.22 H new ATOM 0 HZ3 LYS A 73 -16.914 -6.100 -0.508 1.00 65.22 H new ATOM 1251 N MET A 74 -14.864 0.201 4.660 1.00 42.33 N ATOM 1252 CA MET A 74 -14.377 0.887 5.867 1.00 71.11 C ATOM 1253 C MET A 74 -14.303 2.413 5.656 1.00 34.43 C ATOM 1254 O MET A 74 -13.905 3.154 6.557 1.00 25.15 O ATOM 1255 CB MET A 74 -13.005 0.325 6.270 1.00 31.04 C ATOM 1256 CG MET A 74 -13.027 -1.176 6.552 1.00 63.21 C ATOM 1257 SD MET A 74 -11.385 -1.866 6.859 1.00 54.14 S ATOM 1258 CE MET A 74 -10.905 -0.985 8.343 1.00 11.03 C ATOM 0 H MET A 74 -14.167 0.104 3.922 1.00 42.33 H new ATOM 0 HA MET A 74 -15.086 0.704 6.675 1.00 71.11 H new ATOM 0 HB2 MET A 74 -12.289 0.528 5.474 1.00 31.04 H new ATOM 0 HB3 MET A 74 -12.652 0.849 7.158 1.00 31.04 H new ATOM 0 HG2 MET A 74 -13.662 -1.368 7.417 1.00 63.21 H new ATOM 0 HG3 MET A 74 -13.478 -1.692 5.705 1.00 63.21 H new ATOM 0 HE1 MET A 74 -10.199 -1.589 8.912 1.00 11.03 H new ATOM 0 HE2 MET A 74 -10.436 -0.040 8.069 1.00 11.03 H new ATOM 0 HE3 MET A 74 -11.788 -0.789 8.952 1.00 11.03 H new ATOM 1268 N GLU A 75 -14.704 2.866 4.459 1.00 14.33 N ATOM 1269 CA GLU A 75 -14.779 4.302 4.123 1.00 10.41 C ATOM 1270 C GLU A 75 -13.400 4.993 4.157 1.00 5.33 C ATOM 1271 O GLU A 75 -13.210 5.999 4.845 1.00 74.25 O ATOM 1272 CB GLU A 75 -15.760 5.020 5.067 1.00 40.11 C ATOM 1273 CG GLU A 75 -17.188 4.482 5.008 1.00 24.15 C ATOM 1274 CD GLU A 75 -18.090 5.117 6.056 1.00 31.00 C ATOM 1275 OE1 GLU A 75 -18.169 4.581 7.183 1.00 63.21 O ATOM 1276 OE2 GLU A 75 -18.708 6.165 5.768 1.00 64.54 O ATOM 0 H GLU A 75 -14.986 2.251 3.695 1.00 14.33 H new ATOM 0 HA GLU A 75 -15.144 4.371 3.098 1.00 10.41 H new ATOM 0 HB2 GLU A 75 -15.393 4.934 6.090 1.00 40.11 H new ATOM 0 HB3 GLU A 75 -15.773 6.082 4.821 1.00 40.11 H new ATOM 0 HG2 GLU A 75 -17.602 4.666 4.017 1.00 24.15 H new ATOM 0 HG3 GLU A 75 -17.173 3.402 5.152 1.00 24.15 H new ATOM 1283 N ILE A 76 -12.449 4.459 3.393 1.00 43.43 N ATOM 1284 CA ILE A 76 -11.092 5.027 3.313 1.00 63.51 C ATOM 1285 C ILE A 76 -10.675 5.293 1.852 1.00 22.55 C ATOM 1286 O ILE A 76 -11.090 4.576 0.936 1.00 23.01 O ATOM 1287 CB ILE A 76 -10.055 4.079 3.978 1.00 71.43 C ATOM 1288 CG1 ILE A 76 -10.426 3.816 5.445 1.00 72.24 C ATOM 1289 CG2 ILE A 76 -8.638 4.651 3.877 1.00 62.03 C ATOM 1290 CD1 ILE A 76 -9.504 2.830 6.126 1.00 51.41 C ATOM 0 H ILE A 76 -12.588 3.630 2.816 1.00 43.43 H new ATOM 0 HA ILE A 76 -11.111 5.976 3.849 1.00 63.51 H new ATOM 0 HB ILE A 76 -10.074 3.131 3.440 1.00 71.43 H new ATOM 0 HG12 ILE A 76 -10.407 4.759 5.992 1.00 72.24 H new ATOM 0 HG13 ILE A 76 -11.448 3.440 5.493 1.00 72.24 H new ATOM 0 HG21 ILE A 76 -7.935 3.966 4.351 1.00 62.03 H new ATOM 0 HG22 ILE A 76 -8.371 4.778 2.828 1.00 62.03 H new ATOM 0 HG23 ILE A 76 -8.599 5.617 4.380 1.00 62.03 H new ATOM 0 HD11 ILE A 76 -9.821 2.689 7.159 1.00 51.41 H new ATOM 0 HD12 ILE A 76 -9.541 1.875 5.602 1.00 51.41 H new ATOM 0 HD13 ILE A 76 -8.484 3.214 6.109 1.00 51.41 H new ATOM 1302 N ASP A 77 -9.872 6.337 1.636 1.00 33.31 N ATOM 1303 CA ASP A 77 -9.335 6.650 0.306 1.00 73.24 C ATOM 1304 C ASP A 77 -8.015 5.901 0.050 1.00 55.11 C ATOM 1305 O ASP A 77 -7.003 6.152 0.709 1.00 71.34 O ATOM 1306 CB ASP A 77 -9.115 8.162 0.164 1.00 61.30 C ATOM 1307 CG ASP A 77 -8.514 8.539 -1.185 1.00 15.15 C ATOM 1308 OD1 ASP A 77 -9.268 8.629 -2.178 1.00 72.03 O ATOM 1309 OD2 ASP A 77 -7.284 8.739 -1.264 1.00 12.20 O ATOM 0 H ASP A 77 -9.577 6.984 2.367 1.00 33.31 H new ATOM 0 HA ASP A 77 -10.063 6.323 -0.436 1.00 73.24 H new ATOM 0 HB2 ASP A 77 -10.067 8.678 0.291 1.00 61.30 H new ATOM 0 HB3 ASP A 77 -8.456 8.507 0.961 1.00 61.30 H new ATOM 1314 N VAL A 78 -8.033 4.968 -0.900 1.00 13.43 N ATOM 1315 CA VAL A 78 -6.827 4.220 -1.268 1.00 2.24 C ATOM 1316 C VAL A 78 -6.564 4.275 -2.779 1.00 41.32 C ATOM 1317 O VAL A 78 -7.438 4.642 -3.567 1.00 34.12 O ATOM 1318 CB VAL A 78 -6.913 2.734 -0.832 1.00 40.10 C ATOM 1319 CG1 VAL A 78 -7.152 2.618 0.673 1.00 44.45 C ATOM 1320 CG2 VAL A 78 -7.997 1.999 -1.621 1.00 21.12 C ATOM 0 H VAL A 78 -8.866 4.711 -1.429 1.00 13.43 H new ATOM 0 HA VAL A 78 -6.003 4.700 -0.740 1.00 2.24 H new ATOM 0 HB VAL A 78 -5.957 2.260 -1.054 1.00 40.10 H new ATOM 0 HG11 VAL A 78 -7.208 1.566 0.952 1.00 44.45 H new ATOM 0 HG12 VAL A 78 -6.330 3.093 1.210 1.00 44.45 H new ATOM 0 HG13 VAL A 78 -8.088 3.113 0.932 1.00 44.45 H new ATOM 0 HG21 VAL A 78 -8.039 0.959 -1.299 1.00 21.12 H new ATOM 0 HG22 VAL A 78 -8.962 2.474 -1.443 1.00 21.12 H new ATOM 0 HG23 VAL A 78 -7.764 2.040 -2.685 1.00 21.12 H new ATOM 1330 N ARG A 79 -5.352 3.897 -3.170 1.00 32.43 N ATOM 1331 CA ARG A 79 -4.957 3.834 -4.579 1.00 60.14 C ATOM 1332 C ARG A 79 -4.315 2.467 -4.874 1.00 23.13 C ATOM 1333 O ARG A 79 -3.129 2.256 -4.625 1.00 22.40 O ATOM 1334 CB ARG A 79 -3.980 4.980 -4.890 1.00 61.44 C ATOM 1335 CG ARG A 79 -3.703 5.197 -6.376 1.00 14.30 C ATOM 1336 CD ARG A 79 -2.784 6.396 -6.600 1.00 54.14 C ATOM 1337 NE ARG A 79 -2.632 6.730 -8.015 1.00 41.10 N ATOM 1338 CZ ARG A 79 -2.230 7.894 -8.453 1.00 34.12 C ATOM 1339 NH1 ARG A 79 -1.932 8.842 -7.625 1.00 52.52 N ATOM 1340 NH2 ARG A 79 -2.136 8.116 -9.723 1.00 0.23 N ATOM 0 H ARG A 79 -4.613 3.625 -2.522 1.00 32.43 H new ATOM 0 HA ARG A 79 -5.835 3.946 -5.216 1.00 60.14 H new ATOM 0 HB2 ARG A 79 -4.379 5.903 -4.470 1.00 61.44 H new ATOM 0 HB3 ARG A 79 -3.035 4.782 -4.383 1.00 61.44 H new ATOM 0 HG2 ARG A 79 -3.246 4.302 -6.797 1.00 14.30 H new ATOM 0 HG3 ARG A 79 -4.643 5.353 -6.904 1.00 14.30 H new ATOM 0 HD2 ARG A 79 -3.183 7.259 -6.067 1.00 54.14 H new ATOM 0 HD3 ARG A 79 -1.804 6.183 -6.173 1.00 54.14 H new ATOM 0 HE ARG A 79 -2.853 6.010 -8.703 1.00 41.10 H new ATOM 0 HH11 ARG A 79 -2.010 8.685 -6.620 1.00 52.52 H new ATOM 0 HH12 ARG A 79 -1.619 9.747 -7.977 1.00 52.52 H new ATOM 0 HH21 ARG A 79 -2.376 7.381 -10.388 1.00 0.23 H new ATOM 0 HH22 ARG A 79 -1.822 9.026 -10.060 1.00 0.23 H new ATOM 1354 N THR A 80 -5.120 1.535 -5.376 1.00 21.30 N ATOM 1355 CA THR A 80 -4.691 0.140 -5.553 1.00 3.44 C ATOM 1356 C THR A 80 -4.067 -0.119 -6.931 1.00 70.32 C ATOM 1357 O THR A 80 -4.655 0.202 -7.964 1.00 3.10 O ATOM 1358 CB THR A 80 -5.877 -0.835 -5.353 1.00 54.22 C ATOM 1359 OG1 THR A 80 -6.990 -0.444 -6.173 1.00 51.45 O ATOM 1360 CG2 THR A 80 -6.306 -0.891 -3.890 1.00 60.01 C ATOM 0 H THR A 80 -6.080 1.716 -5.671 1.00 21.30 H new ATOM 0 HA THR A 80 -3.929 -0.036 -4.794 1.00 3.44 H new ATOM 0 HB THR A 80 -5.544 -1.829 -5.651 1.00 54.22 H new ATOM 0 HG1 THR A 80 -6.663 -0.144 -7.047 1.00 51.45 H new ATOM 0 HG21 THR A 80 -7.140 -1.584 -3.782 1.00 60.01 H new ATOM 0 HG22 THR A 80 -5.470 -1.231 -3.279 1.00 60.01 H new ATOM 0 HG23 THR A 80 -6.614 0.102 -3.563 1.00 60.01 H new ATOM 1368 N ARG A 81 -2.869 -0.704 -6.933 1.00 73.43 N ATOM 1369 CA ARG A 81 -2.185 -1.111 -8.171 1.00 53.44 C ATOM 1370 C ARG A 81 -1.522 -2.489 -8.002 1.00 23.33 C ATOM 1371 O ARG A 81 -0.937 -2.781 -6.956 1.00 72.33 O ATOM 1372 CB ARG A 81 -1.125 -0.066 -8.570 1.00 2.52 C ATOM 1373 CG ARG A 81 -1.695 1.257 -9.093 1.00 24.51 C ATOM 1374 CD ARG A 81 -2.314 1.115 -10.488 1.00 73.11 C ATOM 1375 NE ARG A 81 -3.512 0.273 -10.495 1.00 1.43 N ATOM 1376 CZ ARG A 81 -3.806 -0.584 -11.438 1.00 15.31 C ATOM 1377 NH1 ARG A 81 -3.030 -0.728 -12.465 1.00 52.43 N ATOM 1378 NH2 ARG A 81 -4.887 -1.295 -11.358 1.00 11.31 N ATOM 0 H ARG A 81 -2.344 -0.910 -6.083 1.00 73.43 H new ATOM 0 HA ARG A 81 -2.932 -1.178 -8.962 1.00 53.44 H new ATOM 0 HB2 ARG A 81 -0.496 0.142 -7.705 1.00 2.52 H new ATOM 0 HB3 ARG A 81 -0.481 -0.497 -9.336 1.00 2.52 H new ATOM 0 HG2 ARG A 81 -2.451 1.624 -8.399 1.00 24.51 H new ATOM 0 HG3 ARG A 81 -0.902 2.004 -9.125 1.00 24.51 H new ATOM 0 HD2 ARG A 81 -2.568 2.104 -10.870 1.00 73.11 H new ATOM 0 HD3 ARG A 81 -1.574 0.692 -11.167 1.00 73.11 H new ATOM 0 HE ARG A 81 -4.160 0.361 -9.712 1.00 1.43 H new ATOM 0 HH11 ARG A 81 -2.180 -0.170 -12.544 1.00 52.43 H new ATOM 0 HH12 ARG A 81 -3.269 -1.399 -13.195 1.00 52.43 H new ATOM 0 HH21 ARG A 81 -5.511 -1.187 -10.558 1.00 11.31 H new ATOM 0 HH22 ARG A 81 -5.114 -1.963 -12.095 1.00 11.31 H new ATOM 1392 N LYS A 82 -1.615 -3.338 -9.025 1.00 12.22 N ATOM 1393 CA LYS A 82 -1.001 -4.671 -8.967 1.00 14.33 C ATOM 1394 C LYS A 82 0.421 -4.660 -9.546 1.00 40.11 C ATOM 1395 O LYS A 82 0.631 -4.315 -10.713 1.00 24.33 O ATOM 1396 CB LYS A 82 -1.852 -5.699 -9.724 1.00 10.12 C ATOM 1397 CG LYS A 82 -1.282 -7.117 -9.669 1.00 55.10 C ATOM 1398 CD LYS A 82 -2.059 -8.082 -10.557 1.00 51.03 C ATOM 1399 CE LYS A 82 -1.983 -7.688 -12.030 1.00 41.30 C ATOM 1400 NZ LYS A 82 -2.749 -8.620 -12.895 1.00 74.44 N ATOM 0 H LYS A 82 -2.103 -3.133 -9.897 1.00 12.22 H new ATOM 0 HA LYS A 82 -0.947 -4.954 -7.916 1.00 14.33 H new ATOM 0 HB2 LYS A 82 -2.859 -5.704 -9.307 1.00 10.12 H new ATOM 0 HB3 LYS A 82 -1.940 -5.391 -10.766 1.00 10.12 H new ATOM 0 HG2 LYS A 82 -0.237 -7.100 -9.980 1.00 55.10 H new ATOM 0 HG3 LYS A 82 -1.302 -7.476 -8.640 1.00 55.10 H new ATOM 0 HD2 LYS A 82 -1.664 -9.090 -10.430 1.00 51.03 H new ATOM 0 HD3 LYS A 82 -3.102 -8.106 -10.241 1.00 51.03 H new ATOM 0 HE2 LYS A 82 -2.370 -6.677 -12.155 1.00 41.30 H new ATOM 0 HE3 LYS A 82 -0.940 -7.672 -12.348 1.00 41.30 H new ATOM 0 HZ1 LYS A 82 -2.162 -8.903 -13.706 1.00 74.44 H new ATOM 0 HZ2 LYS A 82 -3.013 -9.464 -12.348 1.00 74.44 H new ATOM 0 HZ3 LYS A 82 -3.609 -8.147 -13.239 1.00 74.44 H new ATOM 1414 N VAL A 83 1.393 -5.045 -8.723 1.00 13.25 N ATOM 1415 CA VAL A 83 2.792 -5.122 -9.144 1.00 13.04 C ATOM 1416 C VAL A 83 3.353 -6.543 -8.972 1.00 51.12 C ATOM 1417 O VAL A 83 3.129 -7.203 -7.956 1.00 3.34 O ATOM 1418 CB VAL A 83 3.679 -4.127 -8.350 1.00 33.10 C ATOM 1419 CG1 VAL A 83 3.246 -2.686 -8.614 1.00 10.11 C ATOM 1420 CG2 VAL A 83 3.646 -4.441 -6.854 1.00 54.34 C ATOM 0 H VAL A 83 1.236 -5.311 -7.751 1.00 13.25 H new ATOM 0 HA VAL A 83 2.815 -4.855 -10.201 1.00 13.04 H new ATOM 0 HB VAL A 83 4.707 -4.240 -8.695 1.00 33.10 H new ATOM 0 HG11 VAL A 83 3.881 -2.006 -8.047 1.00 10.11 H new ATOM 0 HG12 VAL A 83 3.338 -2.467 -9.678 1.00 10.11 H new ATOM 0 HG13 VAL A 83 2.209 -2.555 -8.306 1.00 10.11 H new ATOM 0 HG21 VAL A 83 4.275 -3.730 -6.319 1.00 54.34 H new ATOM 0 HG22 VAL A 83 2.622 -4.365 -6.489 1.00 54.34 H new ATOM 0 HG23 VAL A 83 4.017 -5.452 -6.686 1.00 54.34 H new ATOM 1430 N THR A 84 4.075 -7.009 -9.981 1.00 21.42 N ATOM 1431 CA THR A 84 4.741 -8.316 -9.940 1.00 0.14 C ATOM 1432 C THR A 84 6.259 -8.144 -10.035 1.00 10.21 C ATOM 1433 O THR A 84 7.031 -8.862 -9.396 1.00 35.04 O ATOM 1434 CB THR A 84 4.266 -9.227 -11.098 1.00 63.11 C ATOM 1435 OG1 THR A 84 4.524 -8.589 -12.360 1.00 51.23 O ATOM 1436 CG2 THR A 84 2.776 -9.538 -10.978 1.00 40.30 C ATOM 0 H THR A 84 4.219 -6.498 -10.852 1.00 21.42 H new ATOM 0 HA THR A 84 4.479 -8.785 -8.992 1.00 0.14 H new ATOM 0 HB THR A 84 4.820 -10.164 -11.040 1.00 63.11 H new ATOM 0 HG1 THR A 84 4.223 -9.171 -13.089 1.00 51.23 H new ATOM 0 HG21 THR A 84 2.470 -10.179 -11.805 1.00 40.30 H new ATOM 0 HG22 THR A 84 2.586 -10.048 -10.034 1.00 40.30 H new ATOM 0 HG23 THR A 84 2.207 -8.609 -11.010 1.00 40.30 H new ATOM 1444 N SER A 85 6.676 -7.178 -10.846 1.00 23.15 N ATOM 1445 CA SER A 85 8.090 -6.825 -10.985 1.00 40.41 C ATOM 1446 C SER A 85 8.481 -5.755 -9.955 1.00 73.10 C ATOM 1447 O SER A 85 7.824 -4.716 -9.858 1.00 5.24 O ATOM 1448 CB SER A 85 8.372 -6.306 -12.399 1.00 30.22 C ATOM 1449 OG SER A 85 8.055 -7.278 -13.387 1.00 4.12 O ATOM 0 H SER A 85 6.049 -6.618 -11.424 1.00 23.15 H new ATOM 0 HA SER A 85 8.685 -7.721 -10.808 1.00 40.41 H new ATOM 0 HB2 SER A 85 7.790 -5.402 -12.578 1.00 30.22 H new ATOM 0 HB3 SER A 85 9.423 -6.031 -12.483 1.00 30.22 H new ATOM 0 HG SER A 85 8.245 -6.914 -14.277 1.00 4.12 H new ATOM 1455 N PRO A 86 9.555 -5.987 -9.173 1.00 64.13 N ATOM 1456 CA PRO A 86 9.977 -5.063 -8.099 1.00 0.12 C ATOM 1457 C PRO A 86 10.148 -3.607 -8.576 1.00 45.04 C ATOM 1458 O PRO A 86 9.758 -2.667 -7.878 1.00 72.00 O ATOM 1459 CB PRO A 86 11.322 -5.645 -7.639 1.00 1.21 C ATOM 1460 CG PRO A 86 11.250 -7.093 -7.997 1.00 35.41 C ATOM 1461 CD PRO A 86 10.441 -7.166 -9.265 1.00 24.34 C ATOM 0 HA PRO A 86 9.227 -4.999 -7.311 1.00 0.12 H new ATOM 0 HB2 PRO A 86 12.157 -5.155 -8.139 1.00 1.21 H new ATOM 0 HB3 PRO A 86 11.467 -5.509 -6.567 1.00 1.21 H new ATOM 0 HG2 PRO A 86 12.247 -7.508 -8.145 1.00 35.41 H new ATOM 0 HG3 PRO A 86 10.780 -7.669 -7.200 1.00 35.41 H new ATOM 0 HD2 PRO A 86 11.076 -7.124 -10.150 1.00 24.34 H new ATOM 0 HD3 PRO A 86 9.871 -8.093 -9.326 1.00 24.34 H new ATOM 1469 N ASP A 87 10.713 -3.432 -9.774 1.00 14.14 N ATOM 1470 CA ASP A 87 10.964 -2.097 -10.334 1.00 44.11 C ATOM 1471 C ASP A 87 9.669 -1.269 -10.448 1.00 72.24 C ATOM 1472 O ASP A 87 9.671 -0.057 -10.218 1.00 42.22 O ATOM 1473 CB ASP A 87 11.640 -2.228 -11.705 1.00 43.44 C ATOM 1474 CG ASP A 87 10.808 -3.032 -12.690 1.00 10.22 C ATOM 1475 OD1 ASP A 87 10.841 -4.276 -12.629 1.00 51.12 O ATOM 1476 OD2 ASP A 87 10.120 -2.420 -13.534 1.00 43.15 O ATOM 0 H ASP A 87 11.007 -4.200 -10.378 1.00 14.14 H new ATOM 0 HA ASP A 87 11.628 -1.566 -9.652 1.00 44.11 H new ATOM 0 HB2 ASP A 87 11.821 -1.234 -12.114 1.00 43.44 H new ATOM 0 HB3 ASP A 87 12.613 -2.704 -11.583 1.00 43.44 H new ATOM 1481 N GLU A 88 8.567 -1.937 -10.788 1.00 31.53 N ATOM 1482 CA GLU A 88 7.256 -1.285 -10.871 1.00 3.50 C ATOM 1483 C GLU A 88 6.872 -0.640 -9.530 1.00 53.52 C ATOM 1484 O GLU A 88 6.659 0.571 -9.451 1.00 1.34 O ATOM 1485 CB GLU A 88 6.186 -2.305 -11.282 1.00 15.11 C ATOM 1486 CG GLU A 88 6.282 -2.765 -12.733 1.00 71.22 C ATOM 1487 CD GLU A 88 5.795 -1.710 -13.719 1.00 31.30 C ATOM 1488 OE1 GLU A 88 4.568 -1.629 -13.943 1.00 64.24 O ATOM 1489 OE2 GLU A 88 6.628 -0.965 -14.273 1.00 33.23 O ATOM 0 H GLU A 88 8.554 -2.932 -11.011 1.00 31.53 H new ATOM 0 HA GLU A 88 7.317 -0.499 -11.624 1.00 3.50 H new ATOM 0 HB2 GLU A 88 6.262 -3.176 -10.631 1.00 15.11 H new ATOM 0 HB3 GLU A 88 5.201 -1.868 -11.116 1.00 15.11 H new ATOM 0 HG2 GLU A 88 7.317 -3.019 -12.961 1.00 71.22 H new ATOM 0 HG3 GLU A 88 5.695 -3.674 -12.861 1.00 71.22 H new ATOM 1496 N ALA A 89 6.801 -1.462 -8.480 1.00 32.42 N ATOM 1497 CA ALA A 89 6.459 -0.987 -7.130 1.00 34.12 C ATOM 1498 C ALA A 89 7.362 0.173 -6.693 1.00 41.42 C ATOM 1499 O ALA A 89 6.894 1.167 -6.136 1.00 3.44 O ATOM 1500 CB ALA A 89 6.558 -2.136 -6.131 1.00 25.23 C ATOM 0 H ALA A 89 6.976 -2.465 -8.536 1.00 32.42 H new ATOM 0 HA ALA A 89 5.434 -0.617 -7.156 1.00 34.12 H new ATOM 0 HB1 ALA A 89 6.303 -1.775 -5.135 1.00 25.23 H new ATOM 0 HB2 ALA A 89 5.866 -2.928 -6.418 1.00 25.23 H new ATOM 0 HB3 ALA A 89 7.575 -2.527 -6.126 1.00 25.23 H new ATOM 1506 N LYS A 90 8.659 0.033 -6.957 1.00 61.55 N ATOM 1507 CA LYS A 90 9.639 1.071 -6.626 1.00 65.44 C ATOM 1508 C LYS A 90 9.286 2.409 -7.291 1.00 20.54 C ATOM 1509 O LYS A 90 9.355 3.470 -6.659 1.00 51.10 O ATOM 1510 CB LYS A 90 11.043 0.616 -7.055 1.00 33.41 C ATOM 1511 CG LYS A 90 11.508 -0.657 -6.351 1.00 2.11 C ATOM 1512 CD LYS A 90 12.865 -1.142 -6.861 1.00 24.22 C ATOM 1513 CE LYS A 90 13.987 -0.162 -6.538 1.00 22.44 C ATOM 1514 NZ LYS A 90 15.320 -0.690 -6.931 1.00 11.42 N ATOM 0 H LYS A 90 9.060 -0.793 -7.402 1.00 61.55 H new ATOM 0 HA LYS A 90 9.622 1.224 -5.547 1.00 65.44 H new ATOM 0 HB2 LYS A 90 11.050 0.450 -8.132 1.00 33.41 H new ATOM 0 HB3 LYS A 90 11.755 1.416 -6.851 1.00 33.41 H new ATOM 0 HG2 LYS A 90 11.570 -0.474 -5.278 1.00 2.11 H new ATOM 0 HG3 LYS A 90 10.766 -1.442 -6.498 1.00 2.11 H new ATOM 0 HD2 LYS A 90 13.093 -2.111 -6.417 1.00 24.22 H new ATOM 0 HD3 LYS A 90 12.814 -1.290 -7.940 1.00 24.22 H new ATOM 0 HE2 LYS A 90 13.804 0.781 -7.054 1.00 22.44 H new ATOM 0 HE3 LYS A 90 13.983 0.053 -5.470 1.00 22.44 H new ATOM 0 HZ1 LYS A 90 16.064 -0.147 -6.449 1.00 11.42 H new ATOM 0 HZ2 LYS A 90 15.391 -1.691 -6.659 1.00 11.42 H new ATOM 0 HZ3 LYS A 90 15.439 -0.602 -7.960 1.00 11.42 H new ATOM 1528 N ARG A 91 8.895 2.357 -8.564 1.00 71.33 N ATOM 1529 CA ARG A 91 8.514 3.567 -9.293 1.00 71.04 C ATOM 1530 C ARG A 91 7.182 4.140 -8.777 1.00 2.32 C ATOM 1531 O ARG A 91 7.039 5.354 -8.643 1.00 33.50 O ATOM 1532 CB ARG A 91 8.417 3.293 -10.799 1.00 62.03 C ATOM 1533 CG ARG A 91 8.135 4.550 -11.619 1.00 11.50 C ATOM 1534 CD ARG A 91 7.963 4.255 -13.105 1.00 30.01 C ATOM 1535 NE ARG A 91 7.664 5.472 -13.857 1.00 63.54 N ATOM 1536 CZ ARG A 91 6.767 5.554 -14.802 1.00 71.42 C ATOM 1537 NH1 ARG A 91 6.102 4.506 -15.178 1.00 45.41 N ATOM 1538 NH2 ARG A 91 6.542 6.691 -15.379 1.00 14.30 N ATOM 0 H ARG A 91 8.834 1.497 -9.109 1.00 71.33 H new ATOM 0 HA ARG A 91 9.295 4.307 -9.120 1.00 71.04 H new ATOM 0 HB2 ARG A 91 9.350 2.844 -11.142 1.00 62.03 H new ATOM 0 HB3 ARG A 91 7.627 2.564 -10.980 1.00 62.03 H new ATOM 0 HG2 ARG A 91 7.233 5.031 -11.241 1.00 11.50 H new ATOM 0 HG3 ARG A 91 8.953 5.258 -11.485 1.00 11.50 H new ATOM 0 HD2 ARG A 91 8.873 3.798 -13.495 1.00 30.01 H new ATOM 0 HD3 ARG A 91 7.159 3.532 -13.244 1.00 30.01 H new ATOM 0 HE ARG A 91 8.192 6.314 -13.628 1.00 63.54 H new ATOM 0 HH11 ARG A 91 6.277 3.604 -14.734 1.00 45.41 H new ATOM 0 HH12 ARG A 91 5.404 4.583 -15.918 1.00 45.41 H new ATOM 0 HH21 ARG A 91 7.065 7.519 -15.095 1.00 14.30 H new ATOM 0 HH22 ARG A 91 5.842 6.758 -16.118 1.00 14.30 H new ATOM 1552 N TRP A 92 6.214 3.265 -8.482 1.00 25.01 N ATOM 1553 CA TRP A 92 4.910 3.706 -7.957 1.00 14.12 C ATOM 1554 C TRP A 92 5.060 4.508 -6.655 1.00 53.53 C ATOM 1555 O TRP A 92 4.397 5.527 -6.467 1.00 44.21 O ATOM 1556 CB TRP A 92 3.971 2.512 -7.722 1.00 10.11 C ATOM 1557 CG TRP A 92 3.415 1.929 -8.987 1.00 3.51 C ATOM 1558 CD1 TRP A 92 3.699 0.708 -9.526 1.00 2.43 C ATOM 1559 CD2 TRP A 92 2.469 2.545 -9.870 1.00 60.44 C ATOM 1560 NE1 TRP A 92 2.996 0.531 -10.692 1.00 73.45 N ATOM 1561 CE2 TRP A 92 2.233 1.645 -10.923 1.00 50.23 C ATOM 1562 CE3 TRP A 92 1.802 3.774 -9.870 1.00 24.41 C ATOM 1563 CZ2 TRP A 92 1.359 1.932 -11.967 1.00 41.40 C ATOM 1564 CZ3 TRP A 92 0.934 4.058 -10.907 1.00 53.33 C ATOM 1565 CH2 TRP A 92 0.718 3.140 -11.942 1.00 21.14 C ATOM 0 H TRP A 92 6.304 2.255 -8.595 1.00 25.01 H new ATOM 0 HA TRP A 92 4.473 4.357 -8.714 1.00 14.12 H new ATOM 0 HB2 TRP A 92 4.512 1.736 -7.181 1.00 10.11 H new ATOM 0 HB3 TRP A 92 3.146 2.829 -7.084 1.00 10.11 H new ATOM 0 HD1 TRP A 92 4.378 -0.014 -9.098 1.00 2.43 H new ATOM 0 HE1 TRP A 92 3.035 -0.295 -11.289 1.00 73.45 H new ATOM 0 HE3 TRP A 92 1.962 4.487 -9.075 1.00 24.41 H new ATOM 0 HZ2 TRP A 92 1.193 1.227 -12.768 1.00 41.40 H new ATOM 0 HZ3 TRP A 92 0.413 5.004 -10.919 1.00 53.33 H new ATOM 0 HH2 TRP A 92 0.031 3.391 -12.737 1.00 21.14 H new ATOM 1576 N ILE A 93 5.926 4.036 -5.760 1.00 12.45 N ATOM 1577 CA ILE A 93 6.215 4.755 -4.513 1.00 13.22 C ATOM 1578 C ILE A 93 6.792 6.153 -4.805 1.00 40.33 C ATOM 1579 O ILE A 93 6.390 7.148 -4.196 1.00 63.13 O ATOM 1580 CB ILE A 93 7.206 3.959 -3.623 1.00 11.34 C ATOM 1581 CG1 ILE A 93 6.617 2.583 -3.266 1.00 74.44 C ATOM 1582 CG2 ILE A 93 7.554 4.740 -2.355 1.00 23.31 C ATOM 1583 CD1 ILE A 93 7.551 1.702 -2.461 1.00 63.53 C ATOM 0 H ILE A 93 6.440 3.162 -5.871 1.00 12.45 H new ATOM 0 HA ILE A 93 5.273 4.865 -3.976 1.00 13.22 H new ATOM 0 HB ILE A 93 8.126 3.809 -4.188 1.00 11.34 H new ATOM 0 HG12 ILE A 93 5.696 2.729 -2.702 1.00 74.44 H new ATOM 0 HG13 ILE A 93 6.348 2.064 -4.186 1.00 74.44 H new ATOM 0 HG21 ILE A 93 8.250 4.159 -1.750 1.00 23.31 H new ATOM 0 HG22 ILE A 93 8.015 5.689 -2.627 1.00 23.31 H new ATOM 0 HG23 ILE A 93 6.646 4.929 -1.783 1.00 23.31 H new ATOM 0 HD11 ILE A 93 7.062 0.751 -2.250 1.00 63.53 H new ATOM 0 HD12 ILE A 93 8.463 1.523 -3.030 1.00 63.53 H new ATOM 0 HD13 ILE A 93 7.800 2.198 -1.523 1.00 63.53 H new ATOM 1595 N LYS A 94 7.729 6.214 -5.750 1.00 2.31 N ATOM 1596 CA LYS A 94 8.314 7.488 -6.186 1.00 63.33 C ATOM 1597 C LYS A 94 7.243 8.442 -6.749 1.00 1.21 C ATOM 1598 O LYS A 94 7.101 9.578 -6.289 1.00 31.21 O ATOM 1599 CB LYS A 94 9.393 7.234 -7.251 1.00 31.32 C ATOM 1600 CG LYS A 94 9.954 8.508 -7.877 1.00 23.31 C ATOM 1601 CD LYS A 94 10.930 8.202 -9.011 1.00 42.13 C ATOM 1602 CE LYS A 94 11.358 9.471 -9.744 1.00 52.43 C ATOM 1603 NZ LYS A 94 10.205 10.175 -10.369 1.00 4.33 N ATOM 0 H LYS A 94 8.102 5.396 -6.231 1.00 2.31 H new ATOM 0 HA LYS A 94 8.763 7.962 -5.313 1.00 63.33 H new ATOM 0 HB2 LYS A 94 10.211 6.672 -6.799 1.00 31.32 H new ATOM 0 HB3 LYS A 94 8.973 6.608 -8.038 1.00 31.32 H new ATOM 0 HG2 LYS A 94 9.134 9.117 -8.258 1.00 23.31 H new ATOM 0 HG3 LYS A 94 10.460 9.097 -7.112 1.00 23.31 H new ATOM 0 HD2 LYS A 94 11.810 7.700 -8.609 1.00 42.13 H new ATOM 0 HD3 LYS A 94 10.464 7.514 -9.716 1.00 42.13 H new ATOM 0 HE2 LYS A 94 11.856 10.142 -9.044 1.00 52.43 H new ATOM 0 HE3 LYS A 94 12.086 9.216 -10.514 1.00 52.43 H new ATOM 0 HZ1 LYS A 94 10.478 10.521 -11.311 1.00 4.33 H new ATOM 0 HZ2 LYS A 94 9.405 9.517 -10.460 1.00 4.33 H new ATOM 0 HZ3 LYS A 94 9.925 10.980 -9.773 1.00 4.33 H new ATOM 1617 N GLU A 95 6.488 7.969 -7.743 1.00 4.01 N ATOM 1618 CA GLU A 95 5.464 8.792 -8.401 1.00 65.11 C ATOM 1619 C GLU A 95 4.343 9.199 -7.431 1.00 21.34 C ATOM 1620 O GLU A 95 3.756 10.275 -7.564 1.00 15.33 O ATOM 1621 CB GLU A 95 4.881 8.056 -9.621 1.00 14.42 C ATOM 1622 CG GLU A 95 5.929 7.657 -10.660 1.00 23.12 C ATOM 1623 CD GLU A 95 6.781 8.829 -11.137 1.00 22.22 C ATOM 1624 OE1 GLU A 95 6.321 9.595 -12.010 1.00 51.03 O ATOM 1625 OE2 GLU A 95 7.918 8.987 -10.647 1.00 33.23 O ATOM 0 H GLU A 95 6.564 7.021 -8.112 1.00 4.01 H new ATOM 0 HA GLU A 95 5.950 9.707 -8.740 1.00 65.11 H new ATOM 0 HB2 GLU A 95 4.362 7.160 -9.279 1.00 14.42 H new ATOM 0 HB3 GLU A 95 4.136 8.694 -10.097 1.00 14.42 H new ATOM 0 HG2 GLU A 95 6.580 6.893 -10.235 1.00 23.12 H new ATOM 0 HG3 GLU A 95 5.428 7.208 -11.518 1.00 23.12 H new ATOM 1632 N PHE A 96 4.055 8.344 -6.453 1.00 1.05 N ATOM 1633 CA PHE A 96 3.075 8.669 -5.410 1.00 20.05 C ATOM 1634 C PHE A 96 3.540 9.892 -4.600 1.00 21.14 C ATOM 1635 O PHE A 96 2.735 10.739 -4.207 1.00 51.24 O ATOM 1636 CB PHE A 96 2.857 7.460 -4.490 1.00 22.02 C ATOM 1637 CG PHE A 96 1.691 7.610 -3.543 1.00 21.14 C ATOM 1638 CD1 PHE A 96 0.392 7.695 -4.028 1.00 12.31 C ATOM 1639 CD2 PHE A 96 1.890 7.661 -2.168 1.00 72.42 C ATOM 1640 CE1 PHE A 96 -0.680 7.827 -3.165 1.00 42.51 C ATOM 1641 CE2 PHE A 96 0.818 7.792 -1.304 1.00 52.33 C ATOM 1642 CZ PHE A 96 -0.466 7.875 -1.803 1.00 1.10 C ATOM 0 H PHE A 96 4.483 7.423 -6.357 1.00 1.05 H new ATOM 0 HA PHE A 96 2.126 8.915 -5.886 1.00 20.05 H new ATOM 0 HB2 PHE A 96 2.701 6.573 -5.104 1.00 22.02 H new ATOM 0 HB3 PHE A 96 3.764 7.290 -3.909 1.00 22.02 H new ATOM 0 HD1 PHE A 96 0.217 7.657 -5.093 1.00 12.31 H new ATOM 0 HD2 PHE A 96 2.892 7.598 -1.770 1.00 72.42 H new ATOM 0 HE1 PHE A 96 -1.684 7.892 -3.557 1.00 42.51 H new ATOM 0 HE2 PHE A 96 0.986 7.829 -0.238 1.00 52.33 H new ATOM 0 HZ PHE A 96 -1.303 7.977 -1.128 1.00 1.10 H new ATOM 1652 N SER A 97 4.849 9.974 -4.361 1.00 20.35 N ATOM 1653 CA SER A 97 5.454 11.162 -3.738 1.00 2.43 C ATOM 1654 C SER A 97 5.369 12.377 -4.678 1.00 42.21 C ATOM 1655 O SER A 97 5.061 13.491 -4.247 1.00 1.32 O ATOM 1656 CB SER A 97 6.920 10.889 -3.371 1.00 73.41 C ATOM 1657 OG SER A 97 7.569 12.067 -2.916 1.00 41.20 O ATOM 0 H SER A 97 5.514 9.235 -4.588 1.00 20.35 H new ATOM 0 HA SER A 97 4.896 11.385 -2.829 1.00 2.43 H new ATOM 0 HB2 SER A 97 6.966 10.124 -2.596 1.00 73.41 H new ATOM 0 HB3 SER A 97 7.447 10.494 -4.240 1.00 73.41 H new ATOM 0 HG SER A 97 8.500 11.861 -2.689 1.00 41.20 H new ATOM 1663 N GLU A 98 5.641 12.147 -5.967 1.00 23.24 N ATOM 1664 CA GLU A 98 5.521 13.192 -6.998 1.00 25.20 C ATOM 1665 C GLU A 98 4.129 13.844 -6.973 1.00 71.25 C ATOM 1666 O GLU A 98 3.988 15.053 -7.180 1.00 55.30 O ATOM 1667 CB GLU A 98 5.778 12.598 -8.392 1.00 14.31 C ATOM 1668 CG GLU A 98 7.170 12.000 -8.573 1.00 52.24 C ATOM 1669 CD GLU A 98 8.270 13.047 -8.563 1.00 62.12 C ATOM 1670 OE1 GLU A 98 8.531 13.645 -9.631 1.00 75.53 O ATOM 1671 OE2 GLU A 98 8.877 13.272 -7.498 1.00 24.23 O ATOM 0 H GLU A 98 5.948 11.243 -6.326 1.00 23.24 H new ATOM 0 HA GLU A 98 6.268 13.956 -6.781 1.00 25.20 H new ATOM 0 HB2 GLU A 98 5.035 11.825 -8.587 1.00 14.31 H new ATOM 0 HB3 GLU A 98 5.630 13.378 -9.139 1.00 14.31 H new ATOM 0 HG2 GLU A 98 7.356 11.278 -7.778 1.00 52.24 H new ATOM 0 HG3 GLU A 98 7.205 11.453 -9.515 1.00 52.24 H new