USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1152 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 28 LYS NZ :NH3+ -121:sc= 0.59 (180deg=-2.47!) USER MOD Set 1.2: A 52 THR OG1 : rot 63:sc= 0.816 USER MOD Set 2.1: A 1 MET N :NH3+ -104:sc= 0.948! (180deg=-0.158!) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.474 K(o=1.4,f=-13!) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -121:sc= -1.23! (180deg=-1.97) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.684 K(o=-0.55,f=-7) USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-1.04) USER MOD Single : A 2 ASN : amide:sc= -0.37 K(o=-0.37,f=-4.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc=-0.00387 (180deg=-0.102) USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= -0.749 (180deg=-2.75!) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -0.699 (180deg=-1.72!) USER MOD Single : A 31 THR OG1 : rot 33:sc= 0.152 USER MOD Single : A 34 SER OG : rot 180:sc= -0.25 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 130:sc= -0.303 USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= 0.714 (180deg=-0.153) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= -1.58! (180deg=-4.06!) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0163 (180deg=-0.185) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 60:sc= 0.649 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.6!) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -129:sc= 0.0339 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -107:sc= 1.35 USER MOD Single : A 114 LYS NZ :NH3+ -137:sc= 1.19 (180deg=0.604) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot -140:sc= 0.668 USER MOD Single : A 126 SER OG : rot 76:sc= 0.774 USER MOD Single : A 129 HIS : no HE2:sc= -0.45 K(o=-0.45,f=-1.8) USER MOD Single : A 130 HIS : no HE2:sc= 0.521 K(o=0.52,f=-2.3!) USER MOD Single : A 131 HIS : no HD1:sc= -0.902 K(o=-0.9,f=-2.7!) USER MOD Single : A 132 HIS : no HE2:sc= -0.293 K(o=-0.29,f=-1.5) USER MOD Single : A 133 HIS : no HD1:sc=-0.00372 X(o=-0.0037,f=-0.25) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.317 7.903 9.818 1.00 64.21 N ATOM 2 CA MET A 1 6.080 7.669 9.020 1.00 14.11 C ATOM 3 C MET A 1 5.828 6.167 8.811 1.00 70.33 C ATOM 4 O MET A 1 6.769 5.374 8.785 1.00 64.30 O ATOM 5 CB MET A 1 6.190 8.366 7.655 1.00 13.24 C ATOM 6 CG MET A 1 6.271 9.885 7.739 1.00 62.41 C ATOM 7 SD MET A 1 7.618 10.458 8.794 1.00 60.32 S ATOM 8 CE MET A 1 7.573 12.226 8.487 1.00 74.13 C ATOM 0 H1 MET A 1 7.058 8.166 10.790 1.00 64.21 H new ATOM 0 H2 MET A 1 7.889 7.034 9.835 1.00 64.21 H new ATOM 0 H3 MET A 1 7.868 8.672 9.386 1.00 64.21 H new ATOM 0 HA MET A 1 5.241 8.086 9.576 1.00 14.11 H new ATOM 0 HB2 MET A 1 7.075 7.993 7.139 1.00 13.24 H new ATOM 0 HB3 MET A 1 5.327 8.092 7.048 1.00 13.24 H new ATOM 0 HG2 MET A 1 6.402 10.293 6.737 1.00 62.41 H new ATOM 0 HG3 MET A 1 5.327 10.274 8.120 1.00 62.41 H new ATOM 0 HE1 MET A 1 8.556 12.654 8.682 1.00 74.13 H new ATOM 0 HE2 MET A 1 7.298 12.408 7.448 1.00 74.13 H new ATOM 0 HE3 MET A 1 6.838 12.691 9.144 1.00 74.13 H new ATOM 20 N ASN A 2 4.557 5.789 8.659 1.00 45.12 N ATOM 21 CA ASN A 2 4.179 4.391 8.391 1.00 53.55 C ATOM 22 C ASN A 2 3.014 4.343 7.387 1.00 24.14 C ATOM 23 O ASN A 2 1.949 4.913 7.636 1.00 12.54 O ATOM 24 CB ASN A 2 3.786 3.683 9.700 1.00 21.34 C ATOM 25 CG ASN A 2 3.613 2.176 9.534 1.00 71.32 C ATOM 26 OD1 ASN A 2 3.252 1.687 8.473 1.00 15.44 O ATOM 27 ND2 ASN A 2 3.867 1.426 10.588 1.00 24.13 N ATOM 0 H ASN A 2 3.766 6.431 8.716 1.00 45.12 H new ATOM 0 HA ASN A 2 5.035 3.872 7.961 1.00 53.55 H new ATOM 0 HB2 ASN A 2 4.550 3.875 10.454 1.00 21.34 H new ATOM 0 HB3 ASN A 2 2.856 4.111 10.073 1.00 21.34 H new ATOM 0 HD21 ASN A 2 3.764 0.413 10.530 1.00 24.13 H new ATOM 0 HD22 ASN A 2 4.167 1.859 11.462 1.00 24.13 H new ATOM 34 N ILE A 3 3.229 3.679 6.252 1.00 55.42 N ATOM 35 CA ILE A 3 2.219 3.608 5.186 1.00 12.35 C ATOM 36 C ILE A 3 2.360 2.319 4.353 1.00 54.32 C ATOM 37 O ILE A 3 3.466 1.919 3.982 1.00 64.32 O ATOM 38 CB ILE A 3 2.303 4.853 4.259 1.00 31.13 C ATOM 39 CG1 ILE A 3 1.333 4.729 3.069 1.00 22.31 C ATOM 40 CG2 ILE A 3 3.734 5.075 3.778 1.00 1.02 C ATOM 41 CD1 ILE A 3 1.323 5.937 2.153 1.00 51.35 C ATOM 0 H ILE A 3 4.094 3.180 6.043 1.00 55.42 H new ATOM 0 HA ILE A 3 1.242 3.593 5.669 1.00 12.35 H new ATOM 0 HB ILE A 3 2.002 5.724 4.841 1.00 31.13 H new ATOM 0 HG12 ILE A 3 1.599 3.847 2.487 1.00 22.31 H new ATOM 0 HG13 ILE A 3 0.325 4.567 3.451 1.00 22.31 H new ATOM 0 HG21 ILE A 3 3.768 5.951 3.131 1.00 1.02 H new ATOM 0 HG22 ILE A 3 4.386 5.232 4.637 1.00 1.02 H new ATOM 0 HG23 ILE A 3 4.071 4.200 3.222 1.00 1.02 H new ATOM 0 HD11 ILE A 3 0.615 5.772 1.341 1.00 51.35 H new ATOM 0 HD12 ILE A 3 1.026 6.820 2.719 1.00 51.35 H new ATOM 0 HD13 ILE A 3 2.320 6.089 1.740 1.00 51.35 H new ATOM 53 N VAL A 4 1.225 1.674 4.069 1.00 4.31 N ATOM 54 CA VAL A 4 1.202 0.425 3.293 1.00 31.53 C ATOM 55 C VAL A 4 0.661 0.661 1.872 1.00 63.20 C ATOM 56 O VAL A 4 -0.317 1.387 1.686 1.00 73.25 O ATOM 57 CB VAL A 4 0.323 -0.647 3.993 1.00 33.42 C ATOM 58 CG1 VAL A 4 0.386 -1.982 3.248 1.00 14.24 C ATOM 59 CG2 VAL A 4 0.730 -0.815 5.460 1.00 24.30 C ATOM 0 H VAL A 4 0.304 1.996 4.366 1.00 4.31 H new ATOM 0 HA VAL A 4 2.230 0.069 3.230 1.00 31.53 H new ATOM 0 HB VAL A 4 -0.710 -0.301 3.969 1.00 33.42 H new ATOM 0 HG11 VAL A 4 -0.239 -2.714 3.760 1.00 14.24 H new ATOM 0 HG12 VAL A 4 0.025 -1.847 2.228 1.00 14.24 H new ATOM 0 HG13 VAL A 4 1.416 -2.337 3.224 1.00 14.24 H new ATOM 0 HG21 VAL A 4 0.100 -1.571 5.928 1.00 24.30 H new ATOM 0 HG22 VAL A 4 1.773 -1.127 5.515 1.00 24.30 H new ATOM 0 HG23 VAL A 4 0.607 0.134 5.983 1.00 24.30 H new ATOM 69 N ILE A 5 1.295 0.049 0.872 1.00 14.15 N ATOM 70 CA ILE A 5 0.845 0.176 -0.525 1.00 12.43 C ATOM 71 C ILE A 5 0.514 -1.197 -1.141 1.00 43.10 C ATOM 72 O ILE A 5 1.392 -2.041 -1.304 1.00 61.32 O ATOM 73 CB ILE A 5 1.912 0.884 -1.403 1.00 22.42 C ATOM 74 CG1 ILE A 5 2.215 2.290 -0.852 1.00 43.45 C ATOM 75 CG2 ILE A 5 1.446 0.964 -2.861 1.00 74.23 C ATOM 76 CD1 ILE A 5 3.266 3.041 -1.640 1.00 23.21 C ATOM 0 H ILE A 5 2.119 -0.539 0.996 1.00 14.15 H new ATOM 0 HA ILE A 5 -0.060 0.783 -0.505 1.00 12.43 H new ATOM 0 HB ILE A 5 2.829 0.296 -1.371 1.00 22.42 H new ATOM 0 HG12 ILE A 5 1.294 2.873 -0.844 1.00 43.45 H new ATOM 0 HG13 ILE A 5 2.545 2.201 0.183 1.00 43.45 H new ATOM 0 HG21 ILE A 5 2.208 1.464 -3.460 1.00 74.23 H new ATOM 0 HG22 ILE A 5 1.284 -0.042 -3.247 1.00 74.23 H new ATOM 0 HG23 ILE A 5 0.515 1.528 -2.915 1.00 74.23 H new ATOM 0 HD11 ILE A 5 3.425 4.022 -1.192 1.00 23.21 H new ATOM 0 HD12 ILE A 5 4.201 2.480 -1.627 1.00 23.21 H new ATOM 0 HD13 ILE A 5 2.931 3.163 -2.670 1.00 23.21 H new ATOM 88 N VAL A 6 -0.756 -1.411 -1.480 1.00 45.13 N ATOM 89 CA VAL A 6 -1.202 -2.668 -2.098 1.00 50.22 C ATOM 90 C VAL A 6 -1.243 -2.550 -3.633 1.00 63.33 C ATOM 91 O VAL A 6 -2.012 -1.759 -4.184 1.00 31.14 O ATOM 92 CB VAL A 6 -2.605 -3.074 -1.575 1.00 33.51 C ATOM 93 CG1 VAL A 6 -3.065 -4.392 -2.198 1.00 72.12 C ATOM 94 CG2 VAL A 6 -2.607 -3.159 -0.048 1.00 33.21 C ATOM 0 H VAL A 6 -1.501 -0.729 -1.338 1.00 45.13 H new ATOM 0 HA VAL A 6 -0.481 -3.438 -1.823 1.00 50.22 H new ATOM 0 HB VAL A 6 -3.314 -2.302 -1.874 1.00 33.51 H new ATOM 0 HG11 VAL A 6 -4.051 -4.652 -1.813 1.00 72.12 H new ATOM 0 HG12 VAL A 6 -3.115 -4.284 -3.282 1.00 72.12 H new ATOM 0 HG13 VAL A 6 -2.357 -5.181 -1.944 1.00 72.12 H new ATOM 0 HG21 VAL A 6 -3.600 -3.445 0.299 1.00 33.21 H new ATOM 0 HG22 VAL A 6 -1.881 -3.904 0.276 1.00 33.21 H new ATOM 0 HG23 VAL A 6 -2.342 -2.188 0.371 1.00 33.21 H new ATOM 104 N VAL A 7 -0.418 -3.338 -4.322 1.00 61.24 N ATOM 105 CA VAL A 7 -0.339 -3.289 -5.792 1.00 74.41 C ATOM 106 C VAL A 7 -0.796 -4.612 -6.432 1.00 74.11 C ATOM 107 O VAL A 7 -0.204 -5.661 -6.189 1.00 24.43 O ATOM 108 CB VAL A 7 1.108 -2.979 -6.258 1.00 43.43 C ATOM 109 CG1 VAL A 7 1.192 -2.904 -7.783 1.00 43.14 C ATOM 110 CG2 VAL A 7 1.615 -1.687 -5.622 1.00 54.32 C ATOM 0 H VAL A 7 0.207 -4.019 -3.891 1.00 61.24 H new ATOM 0 HA VAL A 7 -1.008 -2.492 -6.116 1.00 74.41 H new ATOM 0 HB VAL A 7 1.749 -3.796 -5.929 1.00 43.43 H new ATOM 0 HG11 VAL A 7 2.218 -2.686 -8.081 1.00 43.14 H new ATOM 0 HG12 VAL A 7 0.885 -3.858 -8.212 1.00 43.14 H new ATOM 0 HG13 VAL A 7 0.533 -2.115 -8.145 1.00 43.14 H new ATOM 0 HG21 VAL A 7 2.631 -1.488 -5.962 1.00 54.32 H new ATOM 0 HG22 VAL A 7 0.967 -0.860 -5.912 1.00 54.32 H new ATOM 0 HG23 VAL A 7 1.609 -1.789 -4.537 1.00 54.32 H new ATOM 120 N PHE A 8 -1.846 -4.556 -7.257 1.00 32.02 N ATOM 121 CA PHE A 8 -2.367 -5.756 -7.942 1.00 2.21 C ATOM 122 C PHE A 8 -1.554 -6.120 -9.197 1.00 5.33 C ATOM 123 O PHE A 8 -1.720 -7.205 -9.766 1.00 10.21 O ATOM 124 CB PHE A 8 -3.839 -5.555 -8.327 1.00 34.22 C ATOM 125 CG PHE A 8 -4.784 -5.531 -7.151 1.00 71.44 C ATOM 126 CD1 PHE A 8 -5.010 -4.358 -6.443 1.00 10.42 C ATOM 127 CD2 PHE A 8 -5.447 -6.684 -6.753 1.00 43.20 C ATOM 128 CE1 PHE A 8 -5.876 -4.337 -5.367 1.00 21.42 C ATOM 129 CE2 PHE A 8 -6.313 -6.668 -5.675 1.00 32.01 C ATOM 130 CZ PHE A 8 -6.527 -5.493 -4.982 1.00 21.44 C ATOM 0 H PHE A 8 -2.355 -3.698 -7.470 1.00 32.02 H new ATOM 0 HA PHE A 8 -2.276 -6.583 -7.238 1.00 2.21 H new ATOM 0 HB2 PHE A 8 -3.935 -4.619 -8.876 1.00 34.22 H new ATOM 0 HB3 PHE A 8 -4.139 -6.354 -9.005 1.00 34.22 H new ATOM 0 HD1 PHE A 8 -4.503 -3.451 -6.737 1.00 10.42 H new ATOM 0 HD2 PHE A 8 -5.284 -7.605 -7.292 1.00 43.20 H new ATOM 0 HE1 PHE A 8 -6.044 -3.417 -4.827 1.00 21.42 H new ATOM 0 HE2 PHE A 8 -6.821 -7.573 -5.376 1.00 32.01 H new ATOM 0 HZ PHE A 8 -7.203 -5.478 -4.140 1.00 21.44 H new ATOM 140 N SER A 9 -0.684 -5.213 -9.632 1.00 54.22 N ATOM 141 CA SER A 9 0.153 -5.445 -10.820 1.00 25.42 C ATOM 142 C SER A 9 1.398 -6.267 -10.476 1.00 53.41 C ATOM 143 O SER A 9 2.282 -5.799 -9.759 1.00 74.31 O ATOM 144 CB SER A 9 0.588 -4.116 -11.452 1.00 42.25 C ATOM 145 OG SER A 9 1.449 -4.334 -12.563 1.00 41.31 O ATOM 0 H SER A 9 -0.535 -4.309 -9.184 1.00 54.22 H new ATOM 0 HA SER A 9 -0.453 -6.004 -11.532 1.00 25.42 H new ATOM 0 HB2 SER A 9 -0.291 -3.558 -11.774 1.00 42.25 H new ATOM 0 HB3 SER A 9 1.098 -3.505 -10.707 1.00 42.25 H new ATOM 0 HG SER A 9 1.710 -3.472 -12.948 1.00 41.31 H new ATOM 151 N THR A 10 1.471 -7.487 -11.005 1.00 70.41 N ATOM 152 CA THR A 10 2.631 -8.366 -10.784 1.00 72.50 C ATOM 153 C THR A 10 3.836 -7.949 -11.646 1.00 54.12 C ATOM 154 O THR A 10 4.936 -8.482 -11.495 1.00 11.31 O ATOM 155 CB THR A 10 2.290 -9.845 -11.086 1.00 43.05 C ATOM 156 OG1 THR A 10 1.909 -9.997 -12.464 1.00 2.55 O ATOM 157 CG2 THR A 10 1.161 -10.346 -10.185 1.00 20.13 C ATOM 0 H THR A 10 0.743 -7.895 -11.591 1.00 70.41 H new ATOM 0 HA THR A 10 2.893 -8.264 -9.731 1.00 72.50 H new ATOM 0 HB THR A 10 3.182 -10.440 -10.888 1.00 43.05 H new ATOM 0 HG1 THR A 10 1.697 -10.937 -12.643 1.00 2.55 H new ATOM 0 HG21 THR A 10 0.943 -11.388 -10.420 1.00 20.13 H new ATOM 0 HG22 THR A 10 1.465 -10.265 -9.141 1.00 20.13 H new ATOM 0 HG23 THR A 10 0.268 -9.743 -10.350 1.00 20.13 H new ATOM 165 N ASP A 11 3.616 -6.999 -12.553 1.00 12.12 N ATOM 166 CA ASP A 11 4.677 -6.492 -13.430 1.00 63.53 C ATOM 167 C ASP A 11 5.603 -5.518 -12.677 1.00 45.02 C ATOM 168 O ASP A 11 5.178 -4.434 -12.265 1.00 45.13 O ATOM 169 CB ASP A 11 4.052 -5.796 -14.644 1.00 12.53 C ATOM 170 CG ASP A 11 5.083 -5.384 -15.680 1.00 53.43 C ATOM 171 OD1 ASP A 11 5.473 -6.241 -16.502 1.00 31.43 O ATOM 172 OD2 ASP A 11 5.509 -4.212 -15.681 1.00 23.43 O ATOM 0 H ASP A 11 2.707 -6.561 -12.702 1.00 12.12 H new ATOM 0 HA ASP A 11 5.280 -7.335 -13.765 1.00 63.53 H new ATOM 0 HB2 ASP A 11 3.326 -6.464 -15.106 1.00 12.53 H new ATOM 0 HB3 ASP A 11 3.506 -4.914 -14.310 1.00 12.53 H new ATOM 177 N GLU A 12 6.871 -5.906 -12.511 1.00 44.45 N ATOM 178 CA GLU A 12 7.840 -5.075 -11.781 1.00 22.35 C ATOM 179 C GLU A 12 8.124 -3.747 -12.497 1.00 12.32 C ATOM 180 O GLU A 12 8.307 -2.726 -11.844 1.00 55.42 O ATOM 181 CB GLU A 12 9.163 -5.824 -11.556 1.00 63.11 C ATOM 182 CG GLU A 12 10.222 -4.968 -10.855 1.00 34.24 C ATOM 183 CD GLU A 12 11.560 -5.671 -10.675 1.00 34.14 C ATOM 184 OE1 GLU A 12 12.132 -6.137 -11.685 1.00 3.41 O ATOM 185 OE2 GLU A 12 12.065 -5.719 -9.535 1.00 5.11 O ATOM 0 H GLU A 12 7.251 -6.783 -12.868 1.00 44.45 H new ATOM 0 HA GLU A 12 7.383 -4.854 -10.817 1.00 22.35 H new ATOM 0 HB2 GLU A 12 8.972 -6.717 -10.960 1.00 63.11 H new ATOM 0 HB3 GLU A 12 9.553 -6.159 -12.517 1.00 63.11 H new ATOM 0 HG2 GLU A 12 10.376 -4.055 -11.430 1.00 34.24 H new ATOM 0 HG3 GLU A 12 9.845 -4.669 -9.877 1.00 34.24 H new ATOM 192 N GLU A 13 8.159 -3.762 -13.831 1.00 54.31 N ATOM 193 CA GLU A 13 8.473 -2.553 -14.610 1.00 54.20 C ATOM 194 C GLU A 13 7.582 -1.369 -14.191 1.00 52.51 C ATOM 195 O GLU A 13 8.073 -0.267 -13.949 1.00 3.01 O ATOM 196 CB GLU A 13 8.322 -2.833 -16.113 1.00 43.34 C ATOM 197 CG GLU A 13 8.683 -1.655 -17.018 1.00 14.12 C ATOM 198 CD GLU A 13 10.140 -1.239 -16.901 1.00 44.11 C ATOM 199 OE1 GLU A 13 11.007 -1.911 -17.499 1.00 24.11 O ATOM 200 OE2 GLU A 13 10.435 -0.248 -16.206 1.00 71.53 O ATOM 0 H GLU A 13 7.975 -4.591 -14.396 1.00 54.31 H new ATOM 0 HA GLU A 13 9.508 -2.280 -14.404 1.00 54.20 H new ATOM 0 HB2 GLU A 13 8.952 -3.683 -16.376 1.00 43.34 H new ATOM 0 HB3 GLU A 13 7.291 -3.126 -16.313 1.00 43.34 H new ATOM 0 HG2 GLU A 13 8.469 -1.921 -18.053 1.00 14.12 H new ATOM 0 HG3 GLU A 13 8.047 -0.805 -16.769 1.00 14.12 H new ATOM 207 N THR A 14 6.275 -1.609 -14.091 1.00 74.34 N ATOM 208 CA THR A 14 5.333 -0.583 -13.610 1.00 43.01 C ATOM 209 C THR A 14 5.646 -0.178 -12.160 1.00 12.32 C ATOM 210 O THR A 14 5.826 1.001 -11.857 1.00 32.42 O ATOM 211 CB THR A 14 3.863 -1.074 -13.697 1.00 50.12 C ATOM 212 OG1 THR A 14 3.512 -1.351 -15.060 1.00 51.43 O ATOM 213 CG2 THR A 14 2.892 -0.041 -13.132 1.00 11.13 C ATOM 0 H THR A 14 5.840 -2.499 -14.334 1.00 74.34 H new ATOM 0 HA THR A 14 5.454 0.284 -14.259 1.00 43.01 H new ATOM 0 HB THR A 14 3.788 -1.984 -13.101 1.00 50.12 H new ATOM 0 HG1 THR A 14 2.583 -1.661 -15.102 1.00 51.43 H new ATOM 0 HG21 THR A 14 1.873 -0.419 -13.210 1.00 11.13 H new ATOM 0 HG22 THR A 14 3.130 0.148 -12.085 1.00 11.13 H new ATOM 0 HG23 THR A 14 2.979 0.887 -13.697 1.00 11.13 H new ATOM 221 N LEU A 15 5.729 -1.169 -11.272 1.00 1.44 N ATOM 222 CA LEU A 15 6.013 -0.926 -9.847 1.00 24.44 C ATOM 223 C LEU A 15 7.345 -0.179 -9.651 1.00 63.51 C ATOM 224 O LEU A 15 7.501 0.612 -8.719 1.00 64.24 O ATOM 225 CB LEU A 15 6.053 -2.259 -9.089 1.00 2.43 C ATOM 226 CG LEU A 15 6.360 -2.151 -7.586 1.00 14.31 C ATOM 227 CD1 LEU A 15 5.266 -1.374 -6.860 1.00 33.42 C ATOM 228 CD2 LEU A 15 6.546 -3.537 -6.970 1.00 35.41 C ATOM 0 H LEU A 15 5.604 -2.153 -11.510 1.00 1.44 H new ATOM 0 HA LEU A 15 5.214 -0.298 -9.452 1.00 24.44 H new ATOM 0 HB2 LEU A 15 5.091 -2.757 -9.212 1.00 2.43 H new ATOM 0 HB3 LEU A 15 6.805 -2.899 -9.552 1.00 2.43 H new ATOM 0 HG LEU A 15 7.294 -1.601 -7.470 1.00 14.31 H new ATOM 0 HD11 LEU A 15 5.507 -1.312 -5.799 1.00 33.42 H new ATOM 0 HD12 LEU A 15 5.197 -0.369 -7.276 1.00 33.42 H new ATOM 0 HD13 LEU A 15 4.312 -1.885 -6.986 1.00 33.42 H new ATOM 0 HD21 LEU A 15 6.762 -3.436 -5.906 1.00 35.41 H new ATOM 0 HD22 LEU A 15 5.634 -4.119 -7.101 1.00 35.41 H new ATOM 0 HD23 LEU A 15 7.375 -4.046 -7.462 1.00 35.41 H new ATOM 240 N ARG A 16 8.292 -0.430 -10.547 1.00 60.03 N ATOM 241 CA ARG A 16 9.627 0.171 -10.481 1.00 5.10 C ATOM 242 C ARG A 16 9.543 1.708 -10.513 1.00 42.14 C ATOM 243 O ARG A 16 10.307 2.400 -9.838 1.00 65.11 O ATOM 244 CB ARG A 16 10.473 -0.360 -11.649 1.00 73.44 C ATOM 245 CG ARG A 16 11.957 -0.022 -11.569 1.00 73.33 C ATOM 246 CD ARG A 16 12.738 -0.677 -12.705 1.00 31.03 C ATOM 247 NE ARG A 16 12.622 -2.139 -12.683 1.00 75.52 N ATOM 248 CZ ARG A 16 12.275 -2.866 -13.717 1.00 0.35 C ATOM 249 NH1 ARG A 16 11.991 -2.307 -14.850 1.00 44.13 N ATOM 250 NH2 ARG A 16 12.208 -4.154 -13.615 1.00 5.13 N ATOM 0 H ARG A 16 8.160 -1.056 -11.342 1.00 60.03 H new ATOM 0 HA ARG A 16 10.100 -0.106 -9.539 1.00 5.10 H new ATOM 0 HB2 ARG A 16 10.364 -1.444 -11.695 1.00 73.44 H new ATOM 0 HB3 ARG A 16 10.073 0.041 -12.580 1.00 73.44 H new ATOM 0 HG2 ARG A 16 12.088 1.059 -11.611 1.00 73.33 H new ATOM 0 HG3 ARG A 16 12.357 -0.355 -10.611 1.00 73.33 H new ATOM 0 HD2 ARG A 16 12.373 -0.299 -13.660 1.00 31.03 H new ATOM 0 HD3 ARG A 16 13.789 -0.396 -12.631 1.00 31.03 H new ATOM 0 HE ARG A 16 12.824 -2.621 -11.807 1.00 75.52 H new ATOM 0 HH11 ARG A 16 12.036 -1.292 -14.944 1.00 44.13 H new ATOM 0 HH12 ARG A 16 11.722 -2.881 -15.649 1.00 44.13 H new ATOM 0 HH21 ARG A 16 12.426 -4.607 -12.728 1.00 5.13 H new ATOM 0 HH22 ARG A 16 11.938 -4.716 -14.422 1.00 5.13 H new ATOM 264 N LYS A 17 8.586 2.226 -11.282 1.00 34.43 N ATOM 265 CA LYS A 17 8.328 3.669 -11.346 1.00 3.41 C ATOM 266 C LYS A 17 7.767 4.181 -10.011 1.00 20.24 C ATOM 267 O LYS A 17 8.158 5.242 -9.522 1.00 44.34 O ATOM 268 CB LYS A 17 7.348 3.978 -12.495 1.00 31.24 C ATOM 269 CG LYS A 17 7.981 3.984 -13.889 1.00 34.13 C ATOM 270 CD LYS A 17 8.806 2.728 -14.158 1.00 52.44 C ATOM 271 CE LYS A 17 9.340 2.689 -15.581 1.00 15.10 C ATOM 272 NZ LYS A 17 8.256 2.503 -16.576 1.00 62.03 N ATOM 0 H LYS A 17 7.972 1.666 -11.874 1.00 34.43 H new ATOM 0 HA LYS A 17 9.270 4.182 -11.537 1.00 3.41 H new ATOM 0 HB2 LYS A 17 6.545 3.241 -12.478 1.00 31.24 H new ATOM 0 HB3 LYS A 17 6.891 4.951 -12.314 1.00 31.24 H new ATOM 0 HG2 LYS A 17 7.197 4.068 -14.641 1.00 34.13 H new ATOM 0 HG3 LYS A 17 8.618 4.863 -13.992 1.00 34.13 H new ATOM 0 HD2 LYS A 17 9.640 2.685 -13.457 1.00 52.44 H new ATOM 0 HD3 LYS A 17 8.192 1.846 -13.977 1.00 52.44 H new ATOM 0 HE2 LYS A 17 9.873 3.616 -15.794 1.00 15.10 H new ATOM 0 HE3 LYS A 17 10.062 1.878 -15.675 1.00 15.10 H new ATOM 0 HZ1 LYS A 17 8.671 2.296 -17.507 1.00 62.03 H new ATOM 0 HZ2 LYS A 17 7.649 1.711 -16.284 1.00 62.03 H new ATOM 0 HZ3 LYS A 17 7.687 3.372 -16.636 1.00 62.03 H new ATOM 286 N PHE A 18 6.861 3.404 -9.417 1.00 54.22 N ATOM 287 CA PHE A 18 6.266 3.754 -8.120 1.00 64.54 C ATOM 288 C PHE A 18 7.331 3.811 -7.011 1.00 52.30 C ATOM 289 O PHE A 18 7.283 4.674 -6.132 1.00 10.43 O ATOM 290 CB PHE A 18 5.170 2.743 -7.747 1.00 73.30 C ATOM 291 CG PHE A 18 3.931 2.836 -8.608 1.00 43.34 C ATOM 292 CD1 PHE A 18 3.979 2.530 -9.960 1.00 41.42 C ATOM 293 CD2 PHE A 18 2.717 3.229 -8.061 1.00 44.34 C ATOM 294 CE1 PHE A 18 2.845 2.616 -10.746 1.00 70.02 C ATOM 295 CE2 PHE A 18 1.581 3.317 -8.844 1.00 24.11 C ATOM 296 CZ PHE A 18 1.646 3.011 -10.189 1.00 30.01 C ATOM 0 H PHE A 18 6.521 2.527 -9.811 1.00 54.22 H new ATOM 0 HA PHE A 18 5.823 4.745 -8.213 1.00 64.54 H new ATOM 0 HB2 PHE A 18 5.578 1.735 -7.823 1.00 73.30 H new ATOM 0 HB3 PHE A 18 4.889 2.895 -6.705 1.00 73.30 H new ATOM 0 HD1 PHE A 18 4.914 2.221 -10.404 1.00 41.42 H new ATOM 0 HD2 PHE A 18 2.659 3.469 -7.010 1.00 44.34 H new ATOM 0 HE1 PHE A 18 2.898 2.374 -11.797 1.00 70.02 H new ATOM 0 HE2 PHE A 18 0.644 3.625 -8.404 1.00 24.11 H new ATOM 0 HZ PHE A 18 0.761 3.081 -10.803 1.00 30.01 H new ATOM 306 N LYS A 19 8.294 2.893 -7.063 1.00 72.54 N ATOM 307 CA LYS A 19 9.377 2.857 -6.075 1.00 20.12 C ATOM 308 C LYS A 19 10.287 4.089 -6.189 1.00 11.20 C ATOM 309 O LYS A 19 10.830 4.564 -5.191 1.00 41.14 O ATOM 310 CB LYS A 19 10.211 1.577 -6.225 1.00 64.51 C ATOM 311 CG LYS A 19 9.395 0.296 -6.097 1.00 34.33 C ATOM 312 CD LYS A 19 10.270 -0.962 -6.020 1.00 51.13 C ATOM 313 CE LYS A 19 11.138 -1.170 -7.263 1.00 2.20 C ATOM 314 NZ LYS A 19 12.355 -0.307 -7.274 1.00 23.44 N ATOM 0 H LYS A 19 8.349 2.165 -7.775 1.00 72.54 H new ATOM 0 HA LYS A 19 8.914 2.865 -5.088 1.00 20.12 H new ATOM 0 HB2 LYS A 19 10.705 1.587 -7.197 1.00 64.51 H new ATOM 0 HB3 LYS A 19 10.996 1.575 -5.469 1.00 64.51 H new ATOM 0 HG2 LYS A 19 8.772 0.355 -5.204 1.00 34.33 H new ATOM 0 HG3 LYS A 19 8.722 0.213 -6.950 1.00 34.33 H new ATOM 0 HD2 LYS A 19 10.913 -0.896 -5.143 1.00 51.13 H new ATOM 0 HD3 LYS A 19 9.630 -1.834 -5.882 1.00 51.13 H new ATOM 0 HE2 LYS A 19 11.440 -2.216 -7.318 1.00 2.20 H new ATOM 0 HE3 LYS A 19 10.544 -0.963 -8.153 1.00 2.20 H new ATOM 0 HZ1 LYS A 19 12.265 0.410 -8.022 1.00 23.44 H new ATOM 0 HZ2 LYS A 19 12.455 0.164 -6.352 1.00 23.44 H new ATOM 0 HZ3 LYS A 19 13.195 -0.893 -7.456 1.00 23.44 H new ATOM 328 N ASP A 20 10.449 4.613 -7.403 1.00 32.32 N ATOM 329 CA ASP A 20 11.277 5.804 -7.602 1.00 74.13 C ATOM 330 C ASP A 20 10.594 7.050 -7.016 1.00 12.15 C ATOM 331 O ASP A 20 11.262 7.975 -6.555 1.00 40.13 O ATOM 332 CB ASP A 20 11.591 6.014 -9.083 1.00 51.34 C ATOM 333 CG ASP A 20 12.677 7.059 -9.280 1.00 52.03 C ATOM 334 OD1 ASP A 20 13.873 6.695 -9.212 1.00 12.02 O ATOM 335 OD2 ASP A 20 12.348 8.247 -9.470 1.00 23.43 O ATOM 0 H ASP A 20 10.026 4.240 -8.253 1.00 32.32 H new ATOM 0 HA ASP A 20 12.217 5.647 -7.074 1.00 74.13 H new ATOM 0 HB2 ASP A 20 11.908 5.070 -9.526 1.00 51.34 H new ATOM 0 HB3 ASP A 20 10.687 6.324 -9.607 1.00 51.34 H new ATOM 340 N ILE A 21 9.261 7.067 -7.034 1.00 71.24 N ATOM 341 CA ILE A 21 8.495 8.144 -6.396 1.00 5.44 C ATOM 342 C ILE A 21 8.743 8.160 -4.875 1.00 3.45 C ATOM 343 O ILE A 21 8.841 9.222 -4.254 1.00 72.40 O ATOM 344 CB ILE A 21 6.976 7.996 -6.681 1.00 4.10 C ATOM 345 CG1 ILE A 21 6.724 7.986 -8.201 1.00 73.13 C ATOM 346 CG2 ILE A 21 6.179 9.115 -6.002 1.00 12.41 C ATOM 347 CD1 ILE A 21 5.277 7.762 -8.588 1.00 43.41 C ATOM 0 H ILE A 21 8.689 6.351 -7.481 1.00 71.24 H new ATOM 0 HA ILE A 21 8.836 9.088 -6.821 1.00 5.44 H new ATOM 0 HB ILE A 21 6.635 7.048 -6.265 1.00 4.10 H new ATOM 0 HG12 ILE A 21 7.058 8.935 -8.620 1.00 73.13 H new ATOM 0 HG13 ILE A 21 7.335 7.205 -8.654 1.00 73.13 H new ATOM 0 HG21 ILE A 21 5.118 8.988 -6.217 1.00 12.41 H new ATOM 0 HG22 ILE A 21 6.338 9.073 -4.925 1.00 12.41 H new ATOM 0 HG23 ILE A 21 6.513 10.081 -6.381 1.00 12.41 H new ATOM 0 HD11 ILE A 21 5.186 7.769 -9.674 1.00 43.41 H new ATOM 0 HD12 ILE A 21 4.942 6.799 -8.202 1.00 43.41 H new ATOM 0 HD13 ILE A 21 4.661 8.556 -8.167 1.00 43.41 H new ATOM 359 N ILE A 22 8.855 6.968 -4.287 1.00 31.44 N ATOM 360 CA ILE A 22 9.222 6.826 -2.872 1.00 62.44 C ATOM 361 C ILE A 22 10.647 7.358 -2.623 1.00 0.20 C ATOM 362 O ILE A 22 10.896 8.087 -1.657 1.00 20.11 O ATOM 363 CB ILE A 22 9.135 5.342 -2.427 1.00 35.25 C ATOM 364 CG1 ILE A 22 7.712 4.795 -2.658 1.00 64.12 C ATOM 365 CG2 ILE A 22 9.546 5.186 -0.962 1.00 73.04 C ATOM 366 CD1 ILE A 22 7.545 3.332 -2.295 1.00 5.22 C ATOM 0 H ILE A 22 8.697 6.083 -4.768 1.00 31.44 H new ATOM 0 HA ILE A 22 8.516 7.413 -2.284 1.00 62.44 H new ATOM 0 HB ILE A 22 9.830 4.761 -3.033 1.00 35.25 H new ATOM 0 HG12 ILE A 22 7.008 5.386 -2.073 1.00 64.12 H new ATOM 0 HG13 ILE A 22 7.448 4.931 -3.707 1.00 64.12 H new ATOM 0 HG21 ILE A 22 9.476 4.137 -0.674 1.00 73.04 H new ATOM 0 HG22 ILE A 22 10.572 5.530 -0.833 1.00 73.04 H new ATOM 0 HG23 ILE A 22 8.883 5.779 -0.333 1.00 73.04 H new ATOM 0 HD11 ILE A 22 6.517 3.025 -2.486 1.00 5.22 H new ATOM 0 HD12 ILE A 22 8.223 2.728 -2.898 1.00 5.22 H new ATOM 0 HD13 ILE A 22 7.775 3.191 -1.239 1.00 5.22 H new ATOM 378 N LYS A 23 11.575 6.990 -3.512 1.00 12.31 N ATOM 379 CA LYS A 23 12.946 7.523 -3.489 1.00 73.20 C ATOM 380 C LYS A 23 12.948 9.061 -3.547 1.00 44.22 C ATOM 381 O LYS A 23 13.610 9.728 -2.751 1.00 14.25 O ATOM 382 CB LYS A 23 13.739 6.965 -4.681 1.00 12.51 C ATOM 383 CG LYS A 23 14.014 5.467 -4.607 1.00 62.14 C ATOM 384 CD LYS A 23 14.582 4.908 -5.917 1.00 63.00 C ATOM 385 CE LYS A 23 15.877 5.598 -6.358 1.00 64.15 C ATOM 386 NZ LYS A 23 15.638 6.922 -7.005 1.00 74.34 N ATOM 0 H LYS A 23 11.402 6.321 -4.262 1.00 12.31 H new ATOM 0 HA LYS A 23 13.414 7.214 -2.554 1.00 73.20 H new ATOM 0 HB2 LYS A 23 13.190 7.177 -5.598 1.00 12.51 H new ATOM 0 HB3 LYS A 23 14.690 7.494 -4.749 1.00 12.51 H new ATOM 0 HG2 LYS A 23 14.716 5.270 -3.797 1.00 62.14 H new ATOM 0 HG3 LYS A 23 13.090 4.943 -4.363 1.00 62.14 H new ATOM 0 HD2 LYS A 23 14.769 3.841 -5.798 1.00 63.00 H new ATOM 0 HD3 LYS A 23 13.835 5.015 -6.704 1.00 63.00 H new ATOM 0 HE2 LYS A 23 16.524 5.734 -5.491 1.00 64.15 H new ATOM 0 HE3 LYS A 23 16.409 4.950 -7.054 1.00 64.15 H new ATOM 0 HZ1 LYS A 23 16.357 7.085 -7.738 1.00 74.34 H new ATOM 0 HZ2 LYS A 23 14.693 6.931 -7.439 1.00 74.34 H new ATOM 0 HZ3 LYS A 23 15.697 7.674 -6.289 1.00 74.34 H new ATOM 400 N LYS A 24 12.190 9.606 -4.497 1.00 5.10 N ATOM 401 CA LYS A 24 12.052 11.057 -4.671 1.00 4.03 C ATOM 402 C LYS A 24 11.640 11.764 -3.368 1.00 25.53 C ATOM 403 O LYS A 24 12.243 12.764 -2.969 1.00 13.21 O ATOM 404 CB LYS A 24 11.012 11.348 -5.764 1.00 21.21 C ATOM 405 CG LYS A 24 10.514 12.790 -5.770 1.00 34.33 C ATOM 406 CD LYS A 24 9.434 13.024 -6.819 1.00 21.33 C ATOM 407 CE LYS A 24 8.787 14.393 -6.652 1.00 63.34 C ATOM 408 NZ LYS A 24 8.029 14.495 -5.375 1.00 12.23 N ATOM 0 H LYS A 24 11.653 9.058 -5.169 1.00 5.10 H new ATOM 0 HA LYS A 24 13.027 11.446 -4.962 1.00 4.03 H new ATOM 0 HB2 LYS A 24 11.447 11.119 -6.737 1.00 21.21 H new ATOM 0 HB3 LYS A 24 10.161 10.680 -5.630 1.00 21.21 H new ATOM 0 HG2 LYS A 24 10.121 13.040 -4.785 1.00 34.33 H new ATOM 0 HG3 LYS A 24 11.352 13.461 -5.959 1.00 34.33 H new ATOM 0 HD2 LYS A 24 9.869 12.944 -7.815 1.00 21.33 H new ATOM 0 HD3 LYS A 24 8.673 12.248 -6.740 1.00 21.33 H new ATOM 0 HE2 LYS A 24 9.557 15.164 -6.680 1.00 63.34 H new ATOM 0 HE3 LYS A 24 8.115 14.582 -7.489 1.00 63.34 H new ATOM 0 HZ1 LYS A 24 7.033 14.714 -5.579 1.00 12.23 H new ATOM 0 HZ2 LYS A 24 8.087 13.591 -4.864 1.00 12.23 H new ATOM 0 HZ3 LYS A 24 8.437 15.251 -4.789 1.00 12.23 H new ATOM 422 N ASN A 25 10.611 11.239 -2.710 1.00 42.32 N ATOM 423 CA ASN A 25 10.071 11.862 -1.497 1.00 72.51 C ATOM 424 C ASN A 25 10.947 11.585 -0.260 1.00 42.20 C ATOM 425 O ASN A 25 10.687 12.110 0.824 1.00 60.11 O ATOM 426 CB ASN A 25 8.631 11.393 -1.270 1.00 32.11 C ATOM 427 CG ASN A 25 7.728 11.745 -2.442 1.00 10.31 C ATOM 428 OD1 ASN A 25 7.971 12.709 -3.169 1.00 71.13 O ATOM 429 ND2 ASN A 25 6.675 10.976 -2.636 1.00 73.20 N ATOM 0 H ASN A 25 10.132 10.384 -2.993 1.00 42.32 H new ATOM 0 HA ASN A 25 10.075 12.942 -1.644 1.00 72.51 H new ATOM 0 HB2 ASN A 25 8.621 10.314 -1.115 1.00 32.11 H new ATOM 0 HB3 ASN A 25 8.240 11.849 -0.361 1.00 32.11 H new ATOM 0 HD21 ASN A 25 6.035 11.172 -3.405 1.00 73.20 H new ATOM 0 HD22 ASN A 25 6.500 10.185 -2.017 1.00 73.20 H new ATOM 436 N GLY A 26 11.982 10.764 -0.430 1.00 52.23 N ATOM 437 CA GLY A 26 12.949 10.534 0.640 1.00 61.43 C ATOM 438 C GLY A 26 12.522 9.466 1.644 1.00 23.23 C ATOM 439 O GLY A 26 12.602 9.679 2.856 1.00 63.02 O ATOM 0 H GLY A 26 12.171 10.251 -1.291 1.00 52.23 H new ATOM 0 HA2 GLY A 26 13.902 10.242 0.198 1.00 61.43 H new ATOM 0 HA3 GLY A 26 13.117 11.471 1.171 1.00 61.43 H new ATOM 443 N PHE A 27 12.073 8.315 1.146 1.00 3.55 N ATOM 444 CA PHE A 27 11.677 7.193 2.012 1.00 32.24 C ATOM 445 C PHE A 27 12.270 5.861 1.520 1.00 42.14 C ATOM 446 O PHE A 27 12.621 5.714 0.347 1.00 44.00 O ATOM 447 CB PHE A 27 10.145 7.087 2.093 1.00 4.34 C ATOM 448 CG PHE A 27 9.492 8.253 2.794 1.00 33.14 C ATOM 449 CD1 PHE A 27 9.410 8.288 4.180 1.00 35.32 C ATOM 450 CD2 PHE A 27 8.959 9.311 2.070 1.00 73.14 C ATOM 451 CE1 PHE A 27 8.814 9.354 4.826 1.00 15.44 C ATOM 452 CE2 PHE A 27 8.363 10.378 2.713 1.00 1.42 C ATOM 453 CZ PHE A 27 8.289 10.399 4.092 1.00 74.54 C ATOM 0 H PHE A 27 11.972 8.130 0.148 1.00 3.55 H new ATOM 0 HA PHE A 27 12.074 7.393 3.007 1.00 32.24 H new ATOM 0 HB2 PHE A 27 9.741 7.009 1.084 1.00 4.34 H new ATOM 0 HB3 PHE A 27 9.880 6.167 2.614 1.00 4.34 H new ATOM 0 HD1 PHE A 27 9.817 7.472 4.760 1.00 35.32 H new ATOM 0 HD2 PHE A 27 9.011 9.299 0.991 1.00 73.14 H new ATOM 0 HE1 PHE A 27 8.759 9.370 5.904 1.00 15.44 H new ATOM 0 HE2 PHE A 27 7.955 11.196 2.138 1.00 1.42 H new ATOM 0 HZ PHE A 27 7.821 11.232 4.596 1.00 74.54 H new ATOM 463 N LYS A 28 12.378 4.897 2.433 1.00 23.31 N ATOM 464 CA LYS A 28 12.909 3.564 2.118 1.00 14.35 C ATOM 465 C LYS A 28 11.818 2.661 1.518 1.00 4.00 C ATOM 466 O LYS A 28 10.646 2.777 1.869 1.00 35.22 O ATOM 467 CB LYS A 28 13.483 2.926 3.393 1.00 3.50 C ATOM 468 CG LYS A 28 14.606 3.738 4.033 1.00 23.14 C ATOM 469 CD LYS A 28 14.972 3.246 5.439 1.00 61.33 C ATOM 470 CE LYS A 28 15.512 1.814 5.453 1.00 43.31 C ATOM 471 NZ LYS A 28 14.438 0.786 5.360 1.00 74.22 N ATOM 0 H LYS A 28 12.102 5.013 3.408 1.00 23.31 H new ATOM 0 HA LYS A 28 13.700 3.672 1.376 1.00 14.35 H new ATOM 0 HB2 LYS A 28 12.680 2.799 4.119 1.00 3.50 H new ATOM 0 HB3 LYS A 28 13.857 1.931 3.154 1.00 3.50 H new ATOM 0 HG2 LYS A 28 15.489 3.692 3.396 1.00 23.14 H new ATOM 0 HG3 LYS A 28 14.306 4.784 4.086 1.00 23.14 H new ATOM 0 HD2 LYS A 28 15.719 3.914 5.868 1.00 61.33 H new ATOM 0 HD3 LYS A 28 14.091 3.302 6.078 1.00 61.33 H new ATOM 0 HE2 LYS A 28 16.204 1.684 4.621 1.00 43.31 H new ATOM 0 HE3 LYS A 28 16.081 1.655 6.369 1.00 43.31 H new ATOM 0 HZ1 LYS A 28 14.477 0.167 6.195 1.00 74.22 H new ATOM 0 HZ2 LYS A 28 13.511 1.255 5.320 1.00 74.22 H new ATOM 0 HZ3 LYS A 28 14.576 0.217 4.501 1.00 74.22 H new ATOM 485 N VAL A 29 12.205 1.759 0.618 1.00 30.24 N ATOM 486 CA VAL A 29 11.240 0.871 -0.053 1.00 72.51 C ATOM 487 C VAL A 29 11.336 -0.577 0.459 1.00 54.11 C ATOM 488 O VAL A 29 12.412 -1.178 0.452 1.00 11.22 O ATOM 489 CB VAL A 29 11.450 0.872 -1.591 1.00 70.23 C ATOM 490 CG1 VAL A 29 10.385 0.024 -2.291 1.00 2.34 C ATOM 491 CG2 VAL A 29 11.452 2.299 -2.135 1.00 5.21 C ATOM 0 H VAL A 29 13.174 1.619 0.333 1.00 30.24 H new ATOM 0 HA VAL A 29 10.250 1.263 0.182 1.00 72.51 H new ATOM 0 HB VAL A 29 12.423 0.427 -1.799 1.00 70.23 H new ATOM 0 HG11 VAL A 29 10.555 0.042 -3.367 1.00 2.34 H new ATOM 0 HG12 VAL A 29 10.444 -1.003 -1.931 1.00 2.34 H new ATOM 0 HG13 VAL A 29 9.397 0.429 -2.073 1.00 2.34 H new ATOM 0 HG21 VAL A 29 11.601 2.277 -3.215 1.00 5.21 H new ATOM 0 HG22 VAL A 29 10.498 2.776 -1.910 1.00 5.21 H new ATOM 0 HG23 VAL A 29 12.259 2.865 -1.669 1.00 5.21 H new ATOM 501 N ARG A 30 10.206 -1.133 0.902 1.00 44.15 N ATOM 502 CA ARG A 30 10.138 -2.543 1.320 1.00 65.42 C ATOM 503 C ARG A 30 9.140 -3.328 0.453 1.00 65.43 C ATOM 504 O ARG A 30 7.938 -3.076 0.495 1.00 40.10 O ATOM 505 CB ARG A 30 9.736 -2.644 2.802 1.00 74.12 C ATOM 506 CG ARG A 30 9.599 -4.078 3.324 1.00 3.12 C ATOM 507 CD ARG A 30 10.925 -4.836 3.291 1.00 35.21 C ATOM 508 NE ARG A 30 10.800 -6.197 3.820 1.00 71.22 N ATOM 509 CZ ARG A 30 11.173 -6.555 5.021 1.00 62.20 C ATOM 510 NH1 ARG A 30 11.664 -5.686 5.845 1.00 72.13 N ATOM 511 NH2 ARG A 30 11.051 -7.785 5.400 1.00 5.53 N ATOM 0 H ARG A 30 9.322 -0.631 0.982 1.00 44.15 H new ATOM 0 HA ARG A 30 11.128 -2.980 1.188 1.00 65.42 H new ATOM 0 HB2 ARG A 30 10.479 -2.121 3.404 1.00 74.12 H new ATOM 0 HB3 ARG A 30 8.788 -2.126 2.945 1.00 74.12 H new ATOM 0 HG2 ARG A 30 9.221 -4.056 4.346 1.00 3.12 H new ATOM 0 HG3 ARG A 30 8.863 -4.612 2.724 1.00 3.12 H new ATOM 0 HD2 ARG A 30 11.291 -4.879 2.265 1.00 35.21 H new ATOM 0 HD3 ARG A 30 11.668 -4.289 3.872 1.00 35.21 H new ATOM 0 HE ARG A 30 10.396 -6.910 3.213 1.00 71.22 H new ATOM 0 HH11 ARG A 30 11.763 -4.712 5.560 1.00 72.13 H new ATOM 0 HH12 ARG A 30 11.952 -5.975 6.780 1.00 72.13 H new ATOM 0 HH21 ARG A 30 10.663 -8.479 4.761 1.00 5.53 H new ATOM 0 HH22 ARG A 30 11.343 -8.061 6.338 1.00 5.53 H new ATOM 525 N THR A 31 9.646 -4.277 -0.330 1.00 2.43 N ATOM 526 CA THR A 31 8.798 -5.112 -1.193 1.00 53.33 C ATOM 527 C THR A 31 8.305 -6.365 -0.455 1.00 73.23 C ATOM 528 O THR A 31 9.098 -7.112 0.119 1.00 53.04 O ATOM 529 CB THR A 31 9.551 -5.551 -2.474 1.00 64.31 C ATOM 530 OG1 THR A 31 10.784 -6.207 -2.120 1.00 25.21 O ATOM 531 CG2 THR A 31 9.844 -4.354 -3.376 1.00 32.03 C ATOM 0 H THR A 31 10.641 -4.492 -0.388 1.00 2.43 H new ATOM 0 HA THR A 31 7.941 -4.498 -1.471 1.00 53.33 H new ATOM 0 HB THR A 31 8.913 -6.246 -3.021 1.00 64.31 H new ATOM 0 HG1 THR A 31 10.668 -6.686 -1.273 1.00 25.21 H new ATOM 0 HG21 THR A 31 10.373 -4.691 -4.267 1.00 32.03 H new ATOM 0 HG22 THR A 31 8.907 -3.880 -3.668 1.00 32.03 H new ATOM 0 HG23 THR A 31 10.462 -3.635 -2.838 1.00 32.03 H new ATOM 539 N VAL A 32 6.995 -6.594 -0.472 1.00 44.41 N ATOM 540 CA VAL A 32 6.397 -7.760 0.195 1.00 1.41 C ATOM 541 C VAL A 32 5.558 -8.608 -0.779 1.00 71.32 C ATOM 542 O VAL A 32 4.757 -8.078 -1.550 1.00 75.14 O ATOM 543 CB VAL A 32 5.504 -7.314 1.386 1.00 35.14 C ATOM 544 CG1 VAL A 32 4.747 -8.498 1.991 1.00 42.31 C ATOM 545 CG2 VAL A 32 6.342 -6.611 2.455 1.00 33.34 C ATOM 0 H VAL A 32 6.321 -5.989 -0.940 1.00 44.41 H new ATOM 0 HA VAL A 32 7.220 -8.371 0.564 1.00 1.41 H new ATOM 0 HB VAL A 32 4.767 -6.609 1.001 1.00 35.14 H new ATOM 0 HG11 VAL A 32 4.132 -8.151 2.821 1.00 42.31 H new ATOM 0 HG12 VAL A 32 4.109 -8.949 1.231 1.00 42.31 H new ATOM 0 HG13 VAL A 32 5.460 -9.239 2.352 1.00 42.31 H new ATOM 0 HG21 VAL A 32 5.698 -6.307 3.280 1.00 33.34 H new ATOM 0 HG22 VAL A 32 7.107 -7.294 2.825 1.00 33.34 H new ATOM 0 HG23 VAL A 32 6.819 -5.731 2.023 1.00 33.34 H new ATOM 555 N ARG A 33 5.753 -9.929 -0.738 1.00 22.33 N ATOM 556 CA ARG A 33 4.951 -10.866 -1.543 1.00 71.44 C ATOM 557 C ARG A 33 4.133 -11.814 -0.646 1.00 22.21 C ATOM 558 O ARG A 33 3.059 -12.282 -1.033 1.00 33.30 O ATOM 559 CB ARG A 33 5.866 -11.684 -2.469 1.00 53.03 C ATOM 560 CG ARG A 33 5.114 -12.618 -3.419 1.00 64.30 C ATOM 561 CD ARG A 33 6.059 -13.448 -4.282 1.00 31.41 C ATOM 562 NE ARG A 33 6.953 -12.615 -5.088 1.00 21.15 N ATOM 563 CZ ARG A 33 7.374 -12.925 -6.285 1.00 72.33 C ATOM 564 NH1 ARG A 33 6.981 -14.013 -6.868 1.00 53.42 N ATOM 565 NH2 ARG A 33 8.192 -12.132 -6.897 1.00 64.24 N ATOM 0 H ARG A 33 6.460 -10.378 -0.156 1.00 22.33 H new ATOM 0 HA ARG A 33 4.255 -10.281 -2.145 1.00 71.44 H new ATOM 0 HB2 ARG A 33 6.477 -10.999 -3.057 1.00 53.03 H new ATOM 0 HB3 ARG A 33 6.548 -12.276 -1.859 1.00 53.03 H new ATOM 0 HG2 ARG A 33 4.475 -13.284 -2.840 1.00 64.30 H new ATOM 0 HG3 ARG A 33 4.460 -12.029 -4.063 1.00 64.30 H new ATOM 0 HD2 ARG A 33 6.653 -14.100 -3.642 1.00 31.41 H new ATOM 0 HD3 ARG A 33 5.475 -14.092 -4.940 1.00 31.41 H new ATOM 0 HE ARG A 33 7.269 -11.732 -4.687 1.00 21.15 H new ATOM 0 HH11 ARG A 33 6.334 -14.641 -6.392 1.00 53.42 H new ATOM 0 HH12 ARG A 33 7.319 -14.241 -7.803 1.00 53.42 H new ATOM 0 HH21 ARG A 33 8.503 -11.272 -6.445 1.00 64.24 H new ATOM 0 HH22 ARG A 33 8.526 -12.366 -7.832 1.00 64.24 H new ATOM 579 N SER A 34 4.656 -12.097 0.549 1.00 32.33 N ATOM 580 CA SER A 34 4.002 -13.012 1.504 1.00 22.34 C ATOM 581 C SER A 34 3.807 -12.346 2.883 1.00 10.04 C ATOM 582 O SER A 34 4.548 -11.426 3.245 1.00 74.51 O ATOM 583 CB SER A 34 4.842 -14.290 1.651 1.00 24.24 C ATOM 584 OG SER A 34 6.185 -13.984 1.990 1.00 12.21 O ATOM 0 H SER A 34 5.536 -11.706 0.885 1.00 32.33 H new ATOM 0 HA SER A 34 3.016 -13.263 1.114 1.00 22.34 H new ATOM 0 HB2 SER A 34 4.406 -14.928 2.420 1.00 24.24 H new ATOM 0 HB3 SER A 34 4.819 -14.853 0.718 1.00 24.24 H new ATOM 0 HG SER A 34 6.697 -14.815 2.079 1.00 12.21 H new ATOM 590 N PRO A 35 2.807 -12.808 3.678 1.00 30.44 N ATOM 591 CA PRO A 35 2.458 -12.185 4.976 1.00 60.42 C ATOM 592 C PRO A 35 3.643 -12.092 5.951 1.00 60.34 C ATOM 593 O PRO A 35 3.754 -11.137 6.724 1.00 33.41 O ATOM 594 CB PRO A 35 1.357 -13.107 5.541 1.00 15.10 C ATOM 595 CG PRO A 35 1.449 -14.369 4.748 1.00 21.13 C ATOM 596 CD PRO A 35 1.944 -13.970 3.388 1.00 62.22 C ATOM 0 HA PRO A 35 2.142 -11.151 4.842 1.00 60.42 H new ATOM 0 HB2 PRO A 35 1.512 -13.298 6.603 1.00 15.10 H new ATOM 0 HB3 PRO A 35 0.372 -12.651 5.440 1.00 15.10 H new ATOM 0 HG2 PRO A 35 2.131 -15.077 5.219 1.00 21.13 H new ATOM 0 HG3 PRO A 35 0.478 -14.859 4.681 1.00 21.13 H new ATOM 0 HD2 PRO A 35 2.499 -14.776 2.908 1.00 62.22 H new ATOM 0 HD3 PRO A 35 1.123 -13.707 2.721 1.00 62.22 H new ATOM 604 N GLN A 36 4.528 -13.084 5.904 1.00 44.14 N ATOM 605 CA GLN A 36 5.714 -13.116 6.768 1.00 61.24 C ATOM 606 C GLN A 36 6.581 -11.854 6.601 1.00 31.33 C ATOM 607 O GLN A 36 7.118 -11.326 7.574 1.00 10.25 O ATOM 608 CB GLN A 36 6.539 -14.376 6.470 1.00 62.34 C ATOM 609 CG GLN A 36 6.976 -14.496 5.013 1.00 2.42 C ATOM 610 CD GLN A 36 7.647 -15.824 4.711 1.00 34.32 C ATOM 611 OE1 GLN A 36 6.991 -16.790 4.333 1.00 23.42 O ATOM 612 NE2 GLN A 36 8.954 -15.883 4.873 1.00 32.13 N ATOM 0 H GLN A 36 4.449 -13.883 5.274 1.00 44.14 H new ATOM 0 HA GLN A 36 5.374 -13.140 7.804 1.00 61.24 H new ATOM 0 HB2 GLN A 36 7.424 -14.378 7.106 1.00 62.34 H new ATOM 0 HB3 GLN A 36 5.952 -15.255 6.737 1.00 62.34 H new ATOM 0 HG2 GLN A 36 6.107 -14.377 4.366 1.00 2.42 H new ATOM 0 HG3 GLN A 36 7.663 -13.684 4.776 1.00 2.42 H new ATOM 0 HE21 GLN A 36 9.466 -15.060 5.189 1.00 32.13 H new ATOM 0 HE22 GLN A 36 9.453 -16.752 4.683 1.00 32.13 H new ATOM 621 N GLU A 37 6.698 -11.367 5.365 1.00 63.40 N ATOM 622 CA GLU A 37 7.460 -10.142 5.080 1.00 22.32 C ATOM 623 C GLU A 37 6.746 -8.891 5.605 1.00 41.23 C ATOM 624 O GLU A 37 7.388 -7.933 6.041 1.00 14.04 O ATOM 625 CB GLU A 37 7.712 -10.006 3.572 1.00 75.33 C ATOM 626 CG GLU A 37 8.805 -10.927 3.046 1.00 11.43 C ATOM 627 CD GLU A 37 10.157 -10.621 3.665 1.00 42.04 C ATOM 628 OE1 GLU A 37 10.725 -9.551 3.362 1.00 42.23 O ATOM 629 OE2 GLU A 37 10.655 -11.441 4.466 1.00 72.22 O ATOM 0 H GLU A 37 6.276 -11.799 4.543 1.00 63.40 H new ATOM 0 HA GLU A 37 8.415 -10.225 5.600 1.00 22.32 H new ATOM 0 HB2 GLU A 37 6.785 -10.215 3.038 1.00 75.33 H new ATOM 0 HB3 GLU A 37 7.982 -8.974 3.350 1.00 75.33 H new ATOM 0 HG2 GLU A 37 8.537 -11.963 3.255 1.00 11.43 H new ATOM 0 HG3 GLU A 37 8.872 -10.827 1.963 1.00 11.43 H new ATOM 636 N LEU A 38 5.419 -8.899 5.558 1.00 13.04 N ATOM 637 CA LEU A 38 4.627 -7.790 6.096 1.00 33.54 C ATOM 638 C LEU A 38 4.781 -7.719 7.626 1.00 71.10 C ATOM 639 O LEU A 38 4.921 -6.642 8.200 1.00 70.43 O ATOM 640 CB LEU A 38 3.150 -7.952 5.700 1.00 43.50 C ATOM 641 CG LEU A 38 2.227 -6.783 6.084 1.00 24.41 C ATOM 642 CD1 LEU A 38 2.676 -5.486 5.409 1.00 72.33 C ATOM 643 CD2 LEU A 38 0.776 -7.100 5.729 1.00 63.33 C ATOM 0 H LEU A 38 4.867 -9.656 5.155 1.00 13.04 H new ATOM 0 HA LEU A 38 4.994 -6.855 5.673 1.00 33.54 H new ATOM 0 HB2 LEU A 38 3.095 -8.095 4.621 1.00 43.50 H new ATOM 0 HB3 LEU A 38 2.766 -8.862 6.162 1.00 43.50 H new ATOM 0 HG LEU A 38 2.293 -6.643 7.163 1.00 24.41 H new ATOM 0 HD11 LEU A 38 2.007 -4.675 5.697 1.00 72.33 H new ATOM 0 HD12 LEU A 38 3.692 -5.246 5.722 1.00 72.33 H new ATOM 0 HD13 LEU A 38 2.649 -5.611 4.327 1.00 72.33 H new ATOM 0 HD21 LEU A 38 0.141 -6.260 6.009 1.00 63.33 H new ATOM 0 HD22 LEU A 38 0.694 -7.275 4.656 1.00 63.33 H new ATOM 0 HD23 LEU A 38 0.456 -7.992 6.268 1.00 63.33 H new ATOM 655 N LYS A 39 4.776 -8.883 8.275 1.00 24.40 N ATOM 656 CA LYS A 39 5.040 -8.970 9.717 1.00 4.41 C ATOM 657 C LYS A 39 6.475 -8.520 10.052 1.00 33.24 C ATOM 658 O LYS A 39 6.691 -7.686 10.936 1.00 53.43 O ATOM 659 CB LYS A 39 4.827 -10.412 10.198 1.00 22.33 C ATOM 660 CG LYS A 39 5.210 -10.644 11.658 1.00 33.42 C ATOM 661 CD LYS A 39 5.175 -12.124 12.026 1.00 41.21 C ATOM 662 CE LYS A 39 5.731 -12.373 13.424 1.00 44.04 C ATOM 663 NZ LYS A 39 5.838 -13.825 13.724 1.00 40.13 N ATOM 0 H LYS A 39 4.592 -9.781 7.828 1.00 24.40 H new ATOM 0 HA LYS A 39 4.345 -8.303 10.228 1.00 4.41 H new ATOM 0 HB2 LYS A 39 3.779 -10.678 10.062 1.00 22.33 H new ATOM 0 HB3 LYS A 39 5.411 -11.084 9.569 1.00 22.33 H new ATOM 0 HG2 LYS A 39 6.209 -10.248 11.839 1.00 33.42 H new ATOM 0 HG3 LYS A 39 4.527 -10.093 12.305 1.00 33.42 H new ATOM 0 HD2 LYS A 39 4.149 -12.488 11.973 1.00 41.21 H new ATOM 0 HD3 LYS A 39 5.753 -12.693 11.298 1.00 41.21 H new ATOM 0 HE2 LYS A 39 6.714 -11.910 13.512 1.00 44.04 H new ATOM 0 HE3 LYS A 39 5.086 -11.896 14.162 1.00 44.04 H new ATOM 0 HZ1 LYS A 39 6.220 -13.954 14.683 1.00 40.13 H new ATOM 0 HZ2 LYS A 39 4.896 -14.262 13.664 1.00 40.13 H new ATOM 0 HZ3 LYS A 39 6.473 -14.276 13.035 1.00 40.13 H new ATOM 677 N ASP A 40 7.447 -9.087 9.340 1.00 42.13 N ATOM 678 CA ASP A 40 8.868 -8.778 9.552 1.00 63.34 C ATOM 679 C ASP A 40 9.164 -7.279 9.352 1.00 0.22 C ATOM 680 O ASP A 40 9.990 -6.694 10.061 1.00 32.13 O ATOM 681 CB ASP A 40 9.719 -9.623 8.593 1.00 61.44 C ATOM 682 CG ASP A 40 11.208 -9.368 8.750 1.00 72.23 C ATOM 683 OD1 ASP A 40 11.819 -9.928 9.683 1.00 71.42 O ATOM 684 OD2 ASP A 40 11.772 -8.597 7.946 1.00 62.23 O ATOM 0 H ASP A 40 7.278 -9.771 8.602 1.00 42.13 H new ATOM 0 HA ASP A 40 9.121 -9.022 10.584 1.00 63.34 H new ATOM 0 HB2 ASP A 40 9.515 -10.679 8.768 1.00 61.44 H new ATOM 0 HB3 ASP A 40 9.424 -9.407 7.566 1.00 61.44 H new ATOM 689 N SER A 41 8.489 -6.669 8.381 1.00 73.14 N ATOM 690 CA SER A 41 8.667 -5.243 8.086 1.00 33.40 C ATOM 691 C SER A 41 8.035 -4.359 9.172 1.00 64.44 C ATOM 692 O SER A 41 8.729 -3.587 9.836 1.00 14.04 O ATOM 693 CB SER A 41 8.057 -4.899 6.719 1.00 63.41 C ATOM 694 OG SER A 41 6.661 -5.143 6.702 1.00 71.13 O ATOM 0 H SER A 41 7.811 -7.139 7.781 1.00 73.14 H new ATOM 0 HA SER A 41 9.738 -5.044 8.065 1.00 33.40 H new ATOM 0 HB2 SER A 41 8.248 -3.851 6.486 1.00 63.41 H new ATOM 0 HB3 SER A 41 8.541 -5.491 5.943 1.00 63.41 H new ATOM 0 HG SER A 41 6.195 -4.354 6.354 1.00 71.13 H new ATOM 700 N ILE A 42 6.720 -4.484 9.356 1.00 32.52 N ATOM 701 CA ILE A 42 5.980 -3.672 10.337 1.00 72.41 C ATOM 702 C ILE A 42 6.587 -3.759 11.752 1.00 3.44 C ATOM 703 O ILE A 42 6.863 -2.732 12.381 1.00 14.04 O ATOM 704 CB ILE A 42 4.486 -4.085 10.390 1.00 44.44 C ATOM 705 CG1 ILE A 42 3.831 -3.881 9.012 1.00 71.41 C ATOM 706 CG2 ILE A 42 3.742 -3.294 11.470 1.00 41.13 C ATOM 707 CD1 ILE A 42 2.392 -4.347 8.940 1.00 41.55 C ATOM 0 H ILE A 42 6.138 -5.142 8.838 1.00 32.52 H new ATOM 0 HA ILE A 42 6.060 -2.639 9.999 1.00 72.41 H new ATOM 0 HB ILE A 42 4.426 -5.142 10.649 1.00 44.44 H new ATOM 0 HG12 ILE A 42 3.873 -2.823 8.754 1.00 71.41 H new ATOM 0 HG13 ILE A 42 4.413 -4.415 8.261 1.00 71.41 H new ATOM 0 HG21 ILE A 42 2.696 -3.600 11.489 1.00 41.13 H new ATOM 0 HG22 ILE A 42 4.195 -3.490 12.442 1.00 41.13 H new ATOM 0 HG23 ILE A 42 3.804 -2.229 11.249 1.00 41.13 H new ATOM 0 HD11 ILE A 42 2.002 -4.169 7.938 1.00 41.55 H new ATOM 0 HD12 ILE A 42 2.343 -5.412 9.165 1.00 41.55 H new ATOM 0 HD13 ILE A 42 1.794 -3.795 9.665 1.00 41.55 H new ATOM 719 N GLU A 43 6.804 -4.983 12.243 1.00 75.23 N ATOM 720 CA GLU A 43 7.386 -5.199 13.579 1.00 40.53 C ATOM 721 C GLU A 43 8.779 -4.567 13.708 1.00 53.14 C ATOM 722 O GLU A 43 9.220 -4.235 14.805 1.00 10.01 O ATOM 723 CB GLU A 43 7.456 -6.702 13.901 1.00 62.54 C ATOM 724 CG GLU A 43 6.156 -7.278 14.453 1.00 11.21 C ATOM 725 CD GLU A 43 5.803 -6.702 15.819 1.00 52.10 C ATOM 726 OE1 GLU A 43 6.609 -6.861 16.761 1.00 73.13 O ATOM 727 OE2 GLU A 43 4.722 -6.093 15.961 1.00 64.35 O ATOM 0 H GLU A 43 6.587 -5.842 11.738 1.00 75.23 H new ATOM 0 HA GLU A 43 6.731 -4.708 14.299 1.00 40.53 H new ATOM 0 HB2 GLU A 43 7.727 -7.245 12.996 1.00 62.54 H new ATOM 0 HB3 GLU A 43 8.253 -6.872 14.625 1.00 62.54 H new ATOM 0 HG2 GLU A 43 5.345 -7.074 13.754 1.00 11.21 H new ATOM 0 HG3 GLU A 43 6.245 -8.362 14.530 1.00 11.21 H new ATOM 734 N GLU A 44 9.465 -4.396 12.587 1.00 42.25 N ATOM 735 CA GLU A 44 10.789 -3.772 12.583 1.00 12.22 C ATOM 736 C GLU A 44 10.675 -2.241 12.616 1.00 12.53 C ATOM 737 O GLU A 44 11.334 -1.572 13.414 1.00 20.11 O ATOM 738 CB GLU A 44 11.570 -4.218 11.337 1.00 21.40 C ATOM 739 CG GLU A 44 13.029 -3.763 11.308 1.00 63.10 C ATOM 740 CD GLU A 44 13.909 -4.442 12.354 1.00 43.21 C ATOM 741 OE1 GLU A 44 13.446 -5.391 13.027 1.00 34.52 O ATOM 742 OE2 GLU A 44 15.085 -4.040 12.485 1.00 11.22 O ATOM 0 H GLU A 44 9.130 -4.679 11.666 1.00 42.25 H new ATOM 0 HA GLU A 44 11.324 -4.091 13.477 1.00 12.22 H new ATOM 0 HB2 GLU A 44 11.540 -5.306 11.275 1.00 21.40 H new ATOM 0 HB3 GLU A 44 11.065 -3.834 10.450 1.00 21.40 H new ATOM 0 HG2 GLU A 44 13.441 -3.959 10.318 1.00 63.10 H new ATOM 0 HG3 GLU A 44 13.066 -2.684 11.461 1.00 63.10 H new ATOM 749 N LEU A 45 9.811 -1.699 11.759 1.00 61.42 N ATOM 750 CA LEU A 45 9.649 -0.244 11.617 1.00 71.44 C ATOM 751 C LEU A 45 9.131 0.411 12.908 1.00 71.45 C ATOM 752 O LEU A 45 9.525 1.527 13.253 1.00 5.52 O ATOM 753 CB LEU A 45 8.687 0.064 10.461 1.00 2.45 C ATOM 754 CG LEU A 45 9.093 -0.516 9.093 1.00 54.12 C ATOM 755 CD1 LEU A 45 8.095 -0.109 8.010 1.00 33.24 C ATOM 756 CD2 LEU A 45 10.508 -0.079 8.720 1.00 23.31 C ATOM 0 H LEU A 45 9.206 -2.246 11.146 1.00 61.42 H new ATOM 0 HA LEU A 45 10.633 0.174 11.406 1.00 71.44 H new ATOM 0 HB2 LEU A 45 7.700 -0.318 10.720 1.00 2.45 H new ATOM 0 HB3 LEU A 45 8.595 1.146 10.365 1.00 2.45 H new ATOM 0 HG LEU A 45 9.082 -1.603 9.169 1.00 54.12 H new ATOM 0 HD11 LEU A 45 8.404 -0.531 7.054 1.00 33.24 H new ATOM 0 HD12 LEU A 45 7.105 -0.483 8.269 1.00 33.24 H new ATOM 0 HD13 LEU A 45 8.064 0.978 7.934 1.00 33.24 H new ATOM 0 HD21 LEU A 45 10.775 -0.500 7.750 1.00 23.31 H new ATOM 0 HD22 LEU A 45 10.551 1.009 8.668 1.00 23.31 H new ATOM 0 HD23 LEU A 45 11.209 -0.434 9.475 1.00 23.31 H new ATOM 768 N VAL A 46 8.239 -0.279 13.613 1.00 12.31 N ATOM 769 CA VAL A 46 7.646 0.259 14.844 1.00 31.34 C ATOM 770 C VAL A 46 8.664 0.312 16.000 1.00 3.31 C ATOM 771 O VAL A 46 8.675 1.263 16.786 1.00 51.53 O ATOM 772 CB VAL A 46 6.399 -0.561 15.275 1.00 43.51 C ATOM 773 CG1 VAL A 46 6.759 -2.021 15.533 1.00 73.43 C ATOM 774 CG2 VAL A 46 5.734 0.059 16.506 1.00 53.12 C ATOM 0 H VAL A 46 7.908 -1.210 13.358 1.00 12.31 H new ATOM 0 HA VAL A 46 7.336 1.279 14.619 1.00 31.34 H new ATOM 0 HB VAL A 46 5.685 -0.533 14.452 1.00 43.51 H new ATOM 0 HG11 VAL A 46 5.865 -2.569 15.833 1.00 73.43 H new ATOM 0 HG12 VAL A 46 7.166 -2.462 14.623 1.00 73.43 H new ATOM 0 HG13 VAL A 46 7.503 -2.077 16.328 1.00 73.43 H new ATOM 0 HG21 VAL A 46 4.864 -0.534 16.787 1.00 53.12 H new ATOM 0 HG22 VAL A 46 6.444 0.076 17.333 1.00 53.12 H new ATOM 0 HG23 VAL A 46 5.420 1.077 16.276 1.00 53.12 H new ATOM 784 N LYS A 47 9.530 -0.699 16.088 1.00 42.34 N ATOM 785 CA LYS A 47 10.528 -0.776 17.168 1.00 42.24 C ATOM 786 C LYS A 47 11.776 0.058 16.834 1.00 11.40 C ATOM 787 O LYS A 47 12.217 0.891 17.630 1.00 54.13 O ATOM 788 CB LYS A 47 10.941 -2.235 17.399 1.00 30.35 C ATOM 789 CG LYS A 47 9.769 -3.206 17.481 1.00 73.32 C ATOM 790 CD LYS A 47 8.898 -2.985 18.712 1.00 74.11 C ATOM 791 CE LYS A 47 7.636 -3.842 18.654 1.00 11.23 C ATOM 792 NZ LYS A 47 7.945 -5.279 18.419 1.00 74.01 N ATOM 0 H LYS A 47 9.564 -1.476 15.428 1.00 42.34 H new ATOM 0 HA LYS A 47 10.072 -0.373 18.072 1.00 42.24 H new ATOM 0 HB2 LYS A 47 11.602 -2.547 16.590 1.00 30.35 H new ATOM 0 HB3 LYS A 47 11.516 -2.297 18.323 1.00 30.35 H new ATOM 0 HG2 LYS A 47 9.156 -3.103 16.586 1.00 73.32 H new ATOM 0 HG3 LYS A 47 10.150 -4.227 17.491 1.00 73.32 H new ATOM 0 HD2 LYS A 47 9.465 -3.228 19.611 1.00 74.11 H new ATOM 0 HD3 LYS A 47 8.624 -1.932 18.783 1.00 74.11 H new ATOM 0 HE2 LYS A 47 7.085 -3.738 19.589 1.00 11.23 H new ATOM 0 HE3 LYS A 47 6.986 -3.477 17.859 1.00 11.23 H new ATOM 0 HZ1 LYS A 47 7.578 -5.566 17.489 1.00 74.01 H new ATOM 0 HZ2 LYS A 47 8.975 -5.421 18.443 1.00 74.01 H new ATOM 0 HZ3 LYS A 47 7.499 -5.856 19.160 1.00 74.01 H new ATOM 806 N LYS A 48 12.345 -0.196 15.658 1.00 62.21 N ATOM 807 CA LYS A 48 13.535 0.517 15.179 1.00 2.21 C ATOM 808 C LYS A 48 13.139 1.813 14.449 1.00 1.21 C ATOM 809 O LYS A 48 12.031 2.328 14.617 1.00 14.31 O ATOM 810 CB LYS A 48 14.345 -0.383 14.219 1.00 55.10 C ATOM 811 CG LYS A 48 15.091 -1.547 14.875 1.00 11.03 C ATOM 812 CD LYS A 48 14.156 -2.552 15.544 1.00 61.50 C ATOM 813 CE LYS A 48 14.857 -3.878 15.831 1.00 55.25 C ATOM 814 NZ LYS A 48 16.139 -3.696 16.561 1.00 5.11 N ATOM 0 H LYS A 48 11.997 -0.901 15.008 1.00 62.21 H new ATOM 0 HA LYS A 48 14.147 0.772 16.044 1.00 2.21 H new ATOM 0 HB2 LYS A 48 13.666 -0.787 13.469 1.00 55.10 H new ATOM 0 HB3 LYS A 48 15.069 0.238 13.692 1.00 55.10 H new ATOM 0 HG2 LYS A 48 15.688 -2.060 14.121 1.00 11.03 H new ATOM 0 HG3 LYS A 48 15.785 -1.154 15.618 1.00 11.03 H new ATOM 0 HD2 LYS A 48 13.778 -2.132 16.476 1.00 61.50 H new ATOM 0 HD3 LYS A 48 13.293 -2.729 14.902 1.00 61.50 H new ATOM 0 HE2 LYS A 48 14.196 -4.516 16.418 1.00 55.25 H new ATOM 0 HE3 LYS A 48 15.048 -4.396 14.891 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 16.500 -4.623 16.865 1.00 5.11 H new ATOM 0 HZ2 LYS A 48 16.834 -3.243 15.934 1.00 5.11 H new ATOM 0 HZ3 LYS A 48 15.981 -3.095 17.395 1.00 5.11 H new ATOM 828 N TYR A 49 14.066 2.359 13.668 1.00 0.31 N ATOM 829 CA TYR A 49 13.768 3.481 12.771 1.00 34.34 C ATOM 830 C TYR A 49 12.813 3.030 11.651 1.00 12.25 C ATOM 831 O TYR A 49 13.046 2.005 11.002 1.00 64.41 O ATOM 832 CB TYR A 49 15.072 4.028 12.163 1.00 23.20 C ATOM 833 CG TYR A 49 15.828 3.001 11.332 1.00 11.14 C ATOM 834 CD1 TYR A 49 16.628 2.037 11.940 1.00 53.44 C ATOM 835 CD2 TYR A 49 15.720 2.978 9.943 1.00 62.24 C ATOM 836 CE1 TYR A 49 17.296 1.087 11.191 1.00 51.33 C ATOM 837 CE2 TYR A 49 16.380 2.026 9.191 1.00 63.12 C ATOM 838 CZ TYR A 49 17.167 1.084 9.819 1.00 14.14 C ATOM 839 OH TYR A 49 17.819 0.128 9.073 1.00 71.44 O ATOM 0 H TYR A 49 15.036 2.044 13.635 1.00 0.31 H new ATOM 0 HA TYR A 49 13.285 4.271 13.346 1.00 34.34 H new ATOM 0 HB2 TYR A 49 14.839 4.890 11.538 1.00 23.20 H new ATOM 0 HB3 TYR A 49 15.718 4.382 12.966 1.00 23.20 H new ATOM 0 HD1 TYR A 49 16.728 2.032 13.015 1.00 53.44 H new ATOM 0 HD2 TYR A 49 15.110 3.717 9.446 1.00 62.24 H new ATOM 0 HE1 TYR A 49 17.917 0.350 11.679 1.00 51.33 H new ATOM 0 HE2 TYR A 49 16.280 2.019 8.116 1.00 63.12 H new ATOM 0 HH TYR A 49 17.623 0.265 8.123 1.00 71.44 H new ATOM 849 N ASN A 50 11.738 3.782 11.418 1.00 43.15 N ATOM 850 CA ASN A 50 10.798 3.435 10.347 1.00 73.32 C ATOM 851 C ASN A 50 11.228 4.049 8.996 1.00 55.04 C ATOM 852 O ASN A 50 12.024 3.448 8.275 1.00 11.34 O ATOM 853 CB ASN A 50 9.352 3.811 10.729 1.00 32.30 C ATOM 854 CG ASN A 50 9.233 5.181 11.372 1.00 74.14 C ATOM 855 OD1 ASN A 50 9.013 6.179 10.700 1.00 70.31 O ATOM 856 ND2 ASN A 50 9.369 5.237 12.680 1.00 70.23 N ATOM 0 H ASN A 50 11.497 4.622 11.945 1.00 43.15 H new ATOM 0 HA ASN A 50 10.821 2.353 10.219 1.00 73.32 H new ATOM 0 HB2 ASN A 50 8.729 3.783 9.835 1.00 32.30 H new ATOM 0 HB3 ASN A 50 8.959 3.061 11.415 1.00 32.30 H new ATOM 0 HD21 ASN A 50 9.291 6.132 13.163 1.00 70.23 H new ATOM 0 HD22 ASN A 50 9.552 4.385 13.211 1.00 70.23 H new ATOM 863 N ALA A 51 10.712 5.236 8.655 1.00 4.33 N ATOM 864 CA ALA A 51 11.087 5.936 7.410 1.00 31.43 C ATOM 865 C ALA A 51 10.967 5.043 6.156 1.00 61.10 C ATOM 866 O ALA A 51 11.545 5.342 5.112 1.00 14.41 O ATOM 867 CB ALA A 51 12.507 6.483 7.537 1.00 75.10 C ATOM 0 H ALA A 51 10.030 5.738 9.224 1.00 4.33 H new ATOM 0 HA ALA A 51 10.381 6.755 7.275 1.00 31.43 H new ATOM 0 HB1 ALA A 51 12.782 6.999 6.617 1.00 75.10 H new ATOM 0 HB2 ALA A 51 12.555 7.181 8.373 1.00 75.10 H new ATOM 0 HB3 ALA A 51 13.200 5.660 7.712 1.00 75.10 H new ATOM 873 N THR A 52 10.195 3.962 6.258 1.00 21.21 N ATOM 874 CA THR A 52 10.083 2.979 5.169 1.00 70.02 C ATOM 875 C THR A 52 8.626 2.761 4.745 1.00 52.23 C ATOM 876 O THR A 52 7.746 2.564 5.582 1.00 60.31 O ATOM 877 CB THR A 52 10.685 1.609 5.580 1.00 51.54 C ATOM 878 OG1 THR A 52 12.062 1.766 5.971 1.00 50.52 O ATOM 879 CG2 THR A 52 10.593 0.593 4.443 1.00 13.14 C ATOM 0 H THR A 52 9.636 3.740 7.082 1.00 21.21 H new ATOM 0 HA THR A 52 10.644 3.390 4.330 1.00 70.02 H new ATOM 0 HB THR A 52 10.104 1.235 6.423 1.00 51.54 H new ATOM 0 HG1 THR A 52 12.114 2.341 6.763 1.00 50.52 H new ATOM 0 HG21 THR A 52 11.024 -0.355 4.766 1.00 13.14 H new ATOM 0 HG22 THR A 52 9.548 0.443 4.173 1.00 13.14 H new ATOM 0 HG23 THR A 52 11.142 0.965 3.578 1.00 13.14 H new ATOM 887 N ILE A 53 8.386 2.802 3.439 1.00 1.14 N ATOM 888 CA ILE A 53 7.070 2.496 2.880 1.00 54.42 C ATOM 889 C ILE A 53 7.001 1.023 2.444 1.00 32.13 C ATOM 890 O ILE A 53 7.777 0.579 1.591 1.00 23.22 O ATOM 891 CB ILE A 53 6.750 3.407 1.668 1.00 53.33 C ATOM 892 CG1 ILE A 53 6.837 4.890 2.074 1.00 33.43 C ATOM 893 CG2 ILE A 53 5.371 3.079 1.100 1.00 72.52 C ATOM 894 CD1 ILE A 53 6.459 5.863 0.972 1.00 13.01 C ATOM 0 H ILE A 53 9.090 3.046 2.742 1.00 1.14 H new ATOM 0 HA ILE A 53 6.330 2.679 3.659 1.00 54.42 H new ATOM 0 HB ILE A 53 7.490 3.222 0.889 1.00 53.33 H new ATOM 0 HG12 ILE A 53 6.185 5.059 2.931 1.00 33.43 H new ATOM 0 HG13 ILE A 53 7.854 5.106 2.400 1.00 33.43 H new ATOM 0 HG21 ILE A 53 5.164 3.729 0.250 1.00 72.52 H new ATOM 0 HG22 ILE A 53 5.349 2.039 0.775 1.00 72.52 H new ATOM 0 HG23 ILE A 53 4.614 3.235 1.869 1.00 72.52 H new ATOM 0 HD11 ILE A 53 6.548 6.884 1.342 1.00 13.01 H new ATOM 0 HD12 ILE A 53 7.126 5.726 0.121 1.00 13.01 H new ATOM 0 HD13 ILE A 53 5.431 5.678 0.660 1.00 13.01 H new ATOM 906 N VAL A 54 6.081 0.267 3.033 1.00 35.51 N ATOM 907 CA VAL A 54 5.949 -1.160 2.729 1.00 63.25 C ATOM 908 C VAL A 54 4.978 -1.412 1.559 1.00 12.24 C ATOM 909 O VAL A 54 3.762 -1.246 1.680 1.00 45.43 O ATOM 910 CB VAL A 54 5.515 -1.971 3.983 1.00 64.12 C ATOM 911 CG1 VAL A 54 4.245 -1.402 4.609 1.00 75.33 C ATOM 912 CG2 VAL A 54 5.337 -3.450 3.641 1.00 41.40 C ATOM 0 H VAL A 54 5.415 0.614 3.723 1.00 35.51 H new ATOM 0 HA VAL A 54 6.935 -1.508 2.422 1.00 63.25 H new ATOM 0 HB VAL A 54 6.312 -1.884 4.721 1.00 64.12 H new ATOM 0 HG11 VAL A 54 3.973 -1.995 5.482 1.00 75.33 H new ATOM 0 HG12 VAL A 54 4.419 -0.369 4.911 1.00 75.33 H new ATOM 0 HG13 VAL A 54 3.434 -1.435 3.881 1.00 75.33 H new ATOM 0 HG21 VAL A 54 5.033 -3.996 4.534 1.00 41.40 H new ATOM 0 HG22 VAL A 54 4.571 -3.556 2.873 1.00 41.40 H new ATOM 0 HG23 VAL A 54 6.280 -3.854 3.272 1.00 41.40 H new ATOM 922 N VAL A 55 5.536 -1.802 0.417 1.00 41.43 N ATOM 923 CA VAL A 55 4.746 -2.089 -0.783 1.00 11.51 C ATOM 924 C VAL A 55 4.418 -3.587 -0.892 1.00 25.04 C ATOM 925 O VAL A 55 5.289 -4.410 -1.182 1.00 1.33 O ATOM 926 CB VAL A 55 5.486 -1.636 -2.066 1.00 43.42 C ATOM 927 CG1 VAL A 55 4.631 -1.892 -3.306 1.00 32.33 C ATOM 928 CG2 VAL A 55 5.879 -0.161 -1.970 1.00 31.02 C ATOM 0 H VAL A 55 6.541 -1.928 0.294 1.00 41.43 H new ATOM 0 HA VAL A 55 3.817 -1.527 -0.690 1.00 11.51 H new ATOM 0 HB VAL A 55 6.398 -2.225 -2.159 1.00 43.42 H new ATOM 0 HG11 VAL A 55 5.172 -1.566 -4.194 1.00 32.33 H new ATOM 0 HG12 VAL A 55 4.413 -2.957 -3.384 1.00 32.33 H new ATOM 0 HG13 VAL A 55 3.697 -1.336 -3.225 1.00 32.33 H new ATOM 0 HG21 VAL A 55 6.398 0.137 -2.881 1.00 31.02 H new ATOM 0 HG22 VAL A 55 4.983 0.447 -1.847 1.00 31.02 H new ATOM 0 HG23 VAL A 55 6.537 -0.015 -1.113 1.00 31.02 H new ATOM 938 N VAL A 56 3.158 -3.928 -0.656 1.00 55.03 N ATOM 939 CA VAL A 56 2.690 -5.311 -0.745 1.00 34.04 C ATOM 940 C VAL A 56 2.160 -5.628 -2.153 1.00 30.23 C ATOM 941 O VAL A 56 1.081 -5.174 -2.544 1.00 22.11 O ATOM 942 CB VAL A 56 1.574 -5.592 0.297 1.00 22.34 C ATOM 943 CG1 VAL A 56 1.116 -7.049 0.232 1.00 0.14 C ATOM 944 CG2 VAL A 56 2.050 -5.233 1.704 1.00 54.23 C ATOM 0 H VAL A 56 2.432 -3.259 -0.398 1.00 55.03 H new ATOM 0 HA VAL A 56 3.545 -5.953 -0.534 1.00 34.04 H new ATOM 0 HB VAL A 56 0.718 -4.963 0.054 1.00 22.34 H new ATOM 0 HG11 VAL A 56 0.334 -7.218 0.972 1.00 0.14 H new ATOM 0 HG12 VAL A 56 0.726 -7.264 -0.763 1.00 0.14 H new ATOM 0 HG13 VAL A 56 1.961 -7.706 0.440 1.00 0.14 H new ATOM 0 HG21 VAL A 56 1.254 -5.437 2.420 1.00 54.23 H new ATOM 0 HG22 VAL A 56 2.926 -5.831 1.955 1.00 54.23 H new ATOM 0 HG23 VAL A 56 2.310 -4.175 1.741 1.00 54.23 H new ATOM 954 N VAL A 57 2.928 -6.401 -2.914 1.00 71.41 N ATOM 955 CA VAL A 57 2.516 -6.812 -4.259 1.00 35.00 C ATOM 956 C VAL A 57 1.583 -8.032 -4.182 1.00 41.05 C ATOM 957 O VAL A 57 2.006 -9.134 -3.823 1.00 43.53 O ATOM 958 CB VAL A 57 3.739 -7.149 -5.150 1.00 31.44 C ATOM 959 CG1 VAL A 57 3.301 -7.458 -6.583 1.00 13.51 C ATOM 960 CG2 VAL A 57 4.756 -6.007 -5.125 1.00 73.20 C ATOM 0 H VAL A 57 3.839 -6.757 -2.626 1.00 71.41 H new ATOM 0 HA VAL A 57 1.984 -5.974 -4.710 1.00 35.00 H new ATOM 0 HB VAL A 57 4.219 -8.040 -4.746 1.00 31.44 H new ATOM 0 HG11 VAL A 57 4.177 -7.691 -7.189 1.00 13.51 H new ATOM 0 HG12 VAL A 57 2.624 -8.312 -6.580 1.00 13.51 H new ATOM 0 HG13 VAL A 57 2.790 -6.591 -7.002 1.00 13.51 H new ATOM 0 HG21 VAL A 57 5.607 -6.263 -5.757 1.00 73.20 H new ATOM 0 HG22 VAL A 57 4.289 -5.096 -5.498 1.00 73.20 H new ATOM 0 HG23 VAL A 57 5.098 -5.847 -4.103 1.00 73.20 H new ATOM 970 N VAL A 58 0.313 -7.828 -4.513 1.00 4.43 N ATOM 971 CA VAL A 58 -0.699 -8.879 -4.383 1.00 12.34 C ATOM 972 C VAL A 58 -1.082 -9.488 -5.743 1.00 1.54 C ATOM 973 O VAL A 58 -1.189 -8.789 -6.753 1.00 11.44 O ATOM 974 CB VAL A 58 -1.967 -8.343 -3.671 1.00 71.00 C ATOM 975 CG1 VAL A 58 -1.615 -7.840 -2.272 1.00 13.15 C ATOM 976 CG2 VAL A 58 -2.635 -7.243 -4.494 1.00 41.21 C ATOM 0 H VAL A 58 -0.044 -6.944 -4.874 1.00 4.43 H new ATOM 0 HA VAL A 58 -0.254 -9.668 -3.776 1.00 12.34 H new ATOM 0 HB VAL A 58 -2.679 -9.163 -3.575 1.00 71.00 H new ATOM 0 HG11 VAL A 58 -2.514 -7.466 -1.783 1.00 13.15 H new ATOM 0 HG12 VAL A 58 -1.196 -8.658 -1.686 1.00 13.15 H new ATOM 0 HG13 VAL A 58 -0.883 -7.036 -2.348 1.00 13.15 H new ATOM 0 HG21 VAL A 58 -3.522 -6.885 -3.971 1.00 41.21 H new ATOM 0 HG22 VAL A 58 -1.937 -6.417 -4.632 1.00 41.21 H new ATOM 0 HG23 VAL A 58 -2.923 -7.641 -5.467 1.00 41.21 H new ATOM 986 N ASP A 59 -1.287 -10.802 -5.756 1.00 44.30 N ATOM 987 CA ASP A 59 -1.626 -11.527 -6.985 1.00 60.45 C ATOM 988 C ASP A 59 -3.112 -11.946 -7.027 1.00 43.05 C ATOM 989 O ASP A 59 -3.802 -11.711 -8.023 1.00 54.30 O ATOM 990 CB ASP A 59 -0.698 -12.743 -7.157 1.00 33.30 C ATOM 991 CG ASP A 59 -0.384 -13.471 -5.855 1.00 71.13 C ATOM 992 OD1 ASP A 59 -1.168 -13.374 -4.886 1.00 1.34 O ATOM 993 OD2 ASP A 59 0.654 -14.165 -5.804 1.00 32.15 O ATOM 0 H ASP A 59 -1.225 -11.392 -4.927 1.00 44.30 H new ATOM 0 HA ASP A 59 -1.472 -10.847 -7.823 1.00 60.45 H new ATOM 0 HB2 ASP A 59 -1.160 -13.445 -7.852 1.00 33.30 H new ATOM 0 HB3 ASP A 59 0.236 -12.413 -7.611 1.00 33.30 H new ATOM 998 N ASP A 60 -3.596 -12.571 -5.954 1.00 43.11 N ATOM 999 CA ASP A 60 -5.004 -12.979 -5.854 1.00 74.55 C ATOM 1000 C ASP A 60 -5.758 -12.133 -4.810 1.00 71.50 C ATOM 1001 O ASP A 60 -5.169 -11.644 -3.841 1.00 33.32 O ATOM 1002 CB ASP A 60 -5.102 -14.470 -5.502 1.00 32.25 C ATOM 1003 CG ASP A 60 -4.547 -15.366 -6.598 1.00 3.23 C ATOM 1004 OD1 ASP A 60 -5.282 -15.655 -7.566 1.00 70.31 O ATOM 1005 OD2 ASP A 60 -3.373 -15.786 -6.500 1.00 73.33 O ATOM 0 H ASP A 60 -3.034 -12.808 -5.137 1.00 43.11 H new ATOM 0 HA ASP A 60 -5.472 -12.812 -6.824 1.00 74.55 H new ATOM 0 HB2 ASP A 60 -4.560 -14.657 -4.575 1.00 32.25 H new ATOM 0 HB3 ASP A 60 -6.145 -14.729 -5.319 1.00 32.25 H new ATOM 1010 N LYS A 61 -7.069 -11.974 -5.014 1.00 44.32 N ATOM 1011 CA LYS A 61 -7.909 -11.144 -4.133 1.00 24.34 C ATOM 1012 C LYS A 61 -7.791 -11.541 -2.648 1.00 23.44 C ATOM 1013 O LYS A 61 -7.833 -10.683 -1.766 1.00 22.35 O ATOM 1014 CB LYS A 61 -9.382 -11.217 -4.577 1.00 22.15 C ATOM 1015 CG LYS A 61 -9.983 -12.620 -4.520 1.00 51.24 C ATOM 1016 CD LYS A 61 -11.459 -12.650 -4.934 1.00 51.32 C ATOM 1017 CE LYS A 61 -11.660 -12.472 -6.442 1.00 54.45 C ATOM 1018 NZ LYS A 61 -11.343 -11.095 -6.912 1.00 73.51 N ATOM 0 H LYS A 61 -7.577 -12.410 -5.784 1.00 44.32 H new ATOM 0 HA LYS A 61 -7.544 -10.121 -4.224 1.00 24.34 H new ATOM 0 HB2 LYS A 61 -9.974 -10.554 -3.945 1.00 22.15 H new ATOM 0 HB3 LYS A 61 -9.462 -10.841 -5.597 1.00 22.15 H new ATOM 0 HG2 LYS A 61 -9.413 -13.281 -5.173 1.00 51.24 H new ATOM 0 HG3 LYS A 61 -9.886 -13.011 -3.507 1.00 51.24 H new ATOM 0 HD2 LYS A 61 -11.899 -13.598 -4.624 1.00 51.32 H new ATOM 0 HD3 LYS A 61 -11.995 -11.862 -4.406 1.00 51.32 H new ATOM 0 HE2 LYS A 61 -11.030 -13.186 -6.974 1.00 54.45 H new ATOM 0 HE3 LYS A 61 -12.694 -12.708 -6.696 1.00 54.45 H new ATOM 0 HZ1 LYS A 61 -12.032 -10.808 -7.636 1.00 73.51 H new ATOM 0 HZ2 LYS A 61 -11.389 -10.435 -6.110 1.00 73.51 H new ATOM 0 HZ3 LYS A 61 -10.386 -11.079 -7.319 1.00 73.51 H new ATOM 1032 N GLU A 62 -7.636 -12.837 -2.374 1.00 62.42 N ATOM 1033 CA GLU A 62 -7.536 -13.314 -0.989 1.00 32.22 C ATOM 1034 C GLU A 62 -6.296 -12.753 -0.281 1.00 3.04 C ATOM 1035 O GLU A 62 -6.379 -12.306 0.863 1.00 51.31 O ATOM 1036 CB GLU A 62 -7.516 -14.844 -0.931 1.00 32.03 C ATOM 1037 CG GLU A 62 -8.749 -15.507 -1.536 1.00 73.34 C ATOM 1038 CD GLU A 62 -8.974 -16.916 -1.010 1.00 2.23 C ATOM 1039 OE1 GLU A 62 -8.032 -17.738 -1.071 1.00 31.44 O ATOM 1040 OE2 GLU A 62 -10.083 -17.195 -0.502 1.00 54.33 O ATOM 0 H GLU A 62 -7.577 -13.570 -3.081 1.00 62.42 H new ATOM 0 HA GLU A 62 -8.421 -12.951 -0.467 1.00 32.22 H new ATOM 0 HB2 GLU A 62 -6.630 -15.205 -1.453 1.00 32.03 H new ATOM 0 HB3 GLU A 62 -7.423 -15.156 0.109 1.00 32.03 H new ATOM 0 HG2 GLU A 62 -9.627 -14.898 -1.320 1.00 73.34 H new ATOM 0 HG3 GLU A 62 -8.643 -15.541 -2.620 1.00 73.34 H new ATOM 1047 N TRP A 63 -5.151 -12.777 -0.965 1.00 4.31 N ATOM 1048 CA TRP A 63 -3.907 -12.221 -0.418 1.00 42.10 C ATOM 1049 C TRP A 63 -4.037 -10.708 -0.175 1.00 22.04 C ATOM 1050 O TRP A 63 -3.616 -10.200 0.863 1.00 71.34 O ATOM 1051 CB TRP A 63 -2.727 -12.541 -1.355 1.00 5.05 C ATOM 1052 CG TRP A 63 -1.446 -11.815 -1.033 1.00 41.13 C ATOM 1053 CD1 TRP A 63 -0.583 -11.269 -1.936 1.00 64.11 C ATOM 1054 CD2 TRP A 63 -0.885 -11.553 0.266 1.00 11.43 C ATOM 1055 NE1 TRP A 63 0.468 -10.673 -1.287 1.00 34.05 N ATOM 1056 CE2 TRP A 63 0.307 -10.834 0.062 1.00 5.13 C ATOM 1057 CE3 TRP A 63 -1.275 -11.848 1.577 1.00 32.22 C ATOM 1058 CZ2 TRP A 63 1.108 -10.408 1.118 1.00 54.41 C ATOM 1059 CZ3 TRP A 63 -0.480 -11.423 2.623 1.00 64.32 C ATOM 1060 CH2 TRP A 63 0.699 -10.707 2.387 1.00 51.05 C ATOM 0 H TRP A 63 -5.057 -13.175 -1.899 1.00 4.31 H new ATOM 0 HA TRP A 63 -3.712 -12.687 0.548 1.00 42.10 H new ATOM 0 HB2 TRP A 63 -2.537 -13.614 -1.323 1.00 5.05 H new ATOM 0 HB3 TRP A 63 -3.018 -12.299 -2.377 1.00 5.05 H new ATOM 0 HD1 TRP A 63 -0.709 -11.301 -3.008 1.00 64.11 H new ATOM 0 HE1 TRP A 63 1.244 -10.188 -1.737 1.00 34.05 H new ATOM 0 HE3 TRP A 63 -2.184 -12.400 1.768 1.00 32.22 H new ATOM 0 HZ2 TRP A 63 2.021 -9.860 0.940 1.00 54.41 H new ATOM 0 HZ3 TRP A 63 -0.772 -11.646 3.638 1.00 64.32 H new ATOM 0 HH2 TRP A 63 1.298 -10.384 3.225 1.00 51.05 H new ATOM 1071 N ALA A 64 -4.644 -9.996 -1.123 1.00 64.52 N ATOM 1072 CA ALA A 64 -4.886 -8.558 -0.962 1.00 52.44 C ATOM 1073 C ALA A 64 -5.656 -8.262 0.336 1.00 13.20 C ATOM 1074 O ALA A 64 -5.282 -7.381 1.114 1.00 31.42 O ATOM 1075 CB ALA A 64 -5.648 -8.015 -2.166 1.00 71.11 C ATOM 0 H ALA A 64 -4.976 -10.385 -2.005 1.00 64.52 H new ATOM 0 HA ALA A 64 -3.919 -8.059 -0.898 1.00 52.44 H new ATOM 0 HB1 ALA A 64 -5.822 -6.947 -2.035 1.00 71.11 H new ATOM 0 HB2 ALA A 64 -5.063 -8.179 -3.071 1.00 71.11 H new ATOM 0 HB3 ALA A 64 -6.605 -8.530 -2.254 1.00 71.11 H new ATOM 1081 N GLU A 65 -6.730 -9.016 0.559 1.00 51.10 N ATOM 1082 CA GLU A 65 -7.551 -8.871 1.765 1.00 73.24 C ATOM 1083 C GLU A 65 -6.804 -9.369 3.016 1.00 63.34 C ATOM 1084 O GLU A 65 -6.915 -8.780 4.094 1.00 62.14 O ATOM 1085 CB GLU A 65 -8.883 -9.622 1.567 1.00 52.55 C ATOM 1086 CG GLU A 65 -9.894 -9.471 2.709 1.00 14.02 C ATOM 1087 CD GLU A 65 -9.722 -10.511 3.806 1.00 60.35 C ATOM 1088 OE1 GLU A 65 -9.889 -11.710 3.512 1.00 11.24 O ATOM 1089 OE2 GLU A 65 -9.446 -10.134 4.966 1.00 61.24 O ATOM 0 H GLU A 65 -7.056 -9.739 -0.083 1.00 51.10 H new ATOM 0 HA GLU A 65 -7.762 -7.814 1.926 1.00 73.24 H new ATOM 0 HB2 GLU A 65 -9.346 -9.271 0.645 1.00 52.55 H new ATOM 0 HB3 GLU A 65 -8.667 -10.682 1.432 1.00 52.55 H new ATOM 0 HG2 GLU A 65 -9.796 -8.476 3.143 1.00 14.02 H new ATOM 0 HG3 GLU A 65 -10.903 -9.544 2.304 1.00 14.02 H new ATOM 1096 N LYS A 66 -6.027 -10.442 2.856 1.00 12.51 N ATOM 1097 CA LYS A 66 -5.247 -11.016 3.960 1.00 73.42 C ATOM 1098 C LYS A 66 -4.217 -10.010 4.498 1.00 73.41 C ATOM 1099 O LYS A 66 -4.033 -9.882 5.711 1.00 34.12 O ATOM 1100 CB LYS A 66 -4.537 -12.298 3.501 1.00 74.52 C ATOM 1101 CG LYS A 66 -3.668 -12.951 4.575 1.00 11.13 C ATOM 1102 CD LYS A 66 -4.482 -13.374 5.798 1.00 4.51 C ATOM 1103 CE LYS A 66 -3.601 -14.015 6.866 1.00 30.33 C ATOM 1104 NZ LYS A 66 -2.923 -15.240 6.366 1.00 52.24 N ATOM 0 H LYS A 66 -5.919 -10.935 1.969 1.00 12.51 H new ATOM 0 HA LYS A 66 -5.939 -11.258 4.766 1.00 73.42 H new ATOM 0 HB2 LYS A 66 -5.287 -13.016 3.170 1.00 74.52 H new ATOM 0 HB3 LYS A 66 -3.914 -12.066 2.637 1.00 74.52 H new ATOM 0 HG2 LYS A 66 -3.168 -13.823 4.154 1.00 11.13 H new ATOM 0 HG3 LYS A 66 -2.889 -12.254 4.883 1.00 11.13 H new ATOM 0 HD2 LYS A 66 -4.988 -12.504 6.217 1.00 4.51 H new ATOM 0 HD3 LYS A 66 -5.257 -14.078 5.494 1.00 4.51 H new ATOM 0 HE2 LYS A 66 -2.852 -13.296 7.198 1.00 30.33 H new ATOM 0 HE3 LYS A 66 -4.209 -14.266 7.735 1.00 30.33 H new ATOM 0 HZ1 LYS A 66 -2.516 -15.763 7.167 1.00 52.24 H new ATOM 0 HZ2 LYS A 66 -3.613 -15.842 5.873 1.00 52.24 H new ATOM 0 HZ3 LYS A 66 -2.164 -14.972 5.707 1.00 52.24 H new ATOM 1118 N ALA A 67 -3.545 -9.303 3.589 1.00 65.32 N ATOM 1119 CA ALA A 67 -2.594 -8.257 3.973 1.00 0.55 C ATOM 1120 C ALA A 67 -3.274 -7.194 4.849 1.00 4.12 C ATOM 1121 O ALA A 67 -2.801 -6.874 5.942 1.00 0.22 O ATOM 1122 CB ALA A 67 -1.987 -7.619 2.728 1.00 43.21 C ATOM 0 H ALA A 67 -3.641 -9.435 2.582 1.00 65.32 H new ATOM 0 HA ALA A 67 -1.795 -8.713 4.558 1.00 0.55 H new ATOM 0 HB1 ALA A 67 -1.281 -6.843 3.024 1.00 43.21 H new ATOM 0 HB2 ALA A 67 -1.466 -8.380 2.146 1.00 43.21 H new ATOM 0 HB3 ALA A 67 -2.779 -7.178 2.122 1.00 43.21 H new ATOM 1128 N ILE A 68 -4.403 -6.672 4.372 1.00 22.05 N ATOM 1129 CA ILE A 68 -5.184 -5.685 5.126 1.00 22.44 C ATOM 1130 C ILE A 68 -5.734 -6.287 6.434 1.00 71.32 C ATOM 1131 O ILE A 68 -5.918 -5.585 7.429 1.00 71.11 O ATOM 1132 CB ILE A 68 -6.361 -5.135 4.276 1.00 11.11 C ATOM 1133 CG1 ILE A 68 -5.838 -4.557 2.948 1.00 52.43 C ATOM 1134 CG2 ILE A 68 -7.149 -4.078 5.052 1.00 54.21 C ATOM 1135 CD1 ILE A 68 -4.857 -3.413 3.113 1.00 11.32 C ATOM 0 H ILE A 68 -4.800 -6.915 3.465 1.00 22.05 H new ATOM 0 HA ILE A 68 -4.510 -4.865 5.372 1.00 22.44 H new ATOM 0 HB ILE A 68 -7.037 -5.961 4.053 1.00 11.11 H new ATOM 0 HG12 ILE A 68 -5.357 -5.355 2.382 1.00 52.43 H new ATOM 0 HG13 ILE A 68 -6.686 -4.212 2.356 1.00 52.43 H new ATOM 0 HG21 ILE A 68 -7.968 -3.709 4.435 1.00 54.21 H new ATOM 0 HG22 ILE A 68 -7.552 -4.521 5.963 1.00 54.21 H new ATOM 0 HG23 ILE A 68 -6.489 -3.250 5.312 1.00 54.21 H new ATOM 0 HD11 ILE A 68 -4.537 -3.063 2.131 1.00 11.32 H new ATOM 0 HD12 ILE A 68 -5.338 -2.596 3.650 1.00 11.32 H new ATOM 0 HD13 ILE A 68 -3.989 -3.756 3.676 1.00 11.32 H new ATOM 1147 N ARG A 69 -5.995 -7.595 6.419 1.00 25.00 N ATOM 1148 CA ARG A 69 -6.457 -8.312 7.615 1.00 60.03 C ATOM 1149 C ARG A 69 -5.370 -8.308 8.705 1.00 53.13 C ATOM 1150 O ARG A 69 -5.646 -8.034 9.877 1.00 33.33 O ATOM 1151 CB ARG A 69 -6.849 -9.758 7.258 1.00 24.11 C ATOM 1152 CG ARG A 69 -7.452 -10.539 8.423 1.00 12.43 C ATOM 1153 CD ARG A 69 -7.714 -11.998 8.064 1.00 72.25 C ATOM 1154 NE ARG A 69 -8.637 -12.141 6.940 1.00 32.03 N ATOM 1155 CZ ARG A 69 -9.306 -13.230 6.677 1.00 24.22 C ATOM 1156 NH1 ARG A 69 -9.179 -14.279 7.427 1.00 32.30 N ATOM 1157 NH2 ARG A 69 -10.090 -13.271 5.654 1.00 55.15 N ATOM 0 H ARG A 69 -5.895 -8.183 5.592 1.00 25.00 H new ATOM 0 HA ARG A 69 -7.336 -7.798 8.003 1.00 60.03 H new ATOM 0 HB2 ARG A 69 -7.565 -9.738 6.437 1.00 24.11 H new ATOM 0 HB3 ARG A 69 -5.966 -10.285 6.898 1.00 24.11 H new ATOM 0 HG2 ARG A 69 -6.777 -10.492 9.278 1.00 12.43 H new ATOM 0 HG3 ARG A 69 -8.386 -10.068 8.729 1.00 12.43 H new ATOM 0 HD2 ARG A 69 -6.770 -12.484 7.818 1.00 72.25 H new ATOM 0 HD3 ARG A 69 -8.122 -12.515 8.933 1.00 72.25 H new ATOM 0 HE ARG A 69 -8.766 -11.339 6.323 1.00 32.03 H new ATOM 0 HH11 ARG A 69 -8.552 -14.258 8.231 1.00 32.30 H new ATOM 0 HH12 ARG A 69 -9.706 -15.126 7.213 1.00 32.30 H new ATOM 0 HH21 ARG A 69 -10.186 -12.453 5.052 1.00 55.15 H new ATOM 0 HH22 ARG A 69 -10.614 -14.121 5.447 1.00 55.15 H new ATOM 1171 N PHE A 70 -4.131 -8.604 8.309 1.00 10.13 N ATOM 1172 CA PHE A 70 -2.994 -8.546 9.234 1.00 42.45 C ATOM 1173 C PHE A 70 -2.804 -7.119 9.766 1.00 61.13 C ATOM 1174 O PHE A 70 -2.628 -6.911 10.968 1.00 44.34 O ATOM 1175 CB PHE A 70 -1.705 -9.032 8.553 1.00 4.22 C ATOM 1176 CG PHE A 70 -0.489 -8.946 9.447 1.00 43.13 C ATOM 1177 CD1 PHE A 70 -0.268 -9.898 10.433 1.00 41.24 C ATOM 1178 CD2 PHE A 70 0.423 -7.908 9.309 1.00 62.13 C ATOM 1179 CE1 PHE A 70 0.836 -9.815 11.261 1.00 2.53 C ATOM 1180 CE2 PHE A 70 1.529 -7.823 10.134 1.00 60.31 C ATOM 1181 CZ PHE A 70 1.733 -8.777 11.112 1.00 30.21 C ATOM 0 H PHE A 70 -3.888 -8.885 7.359 1.00 10.13 H new ATOM 0 HA PHE A 70 -3.210 -9.208 10.073 1.00 42.45 H new ATOM 0 HB2 PHE A 70 -1.839 -10.065 8.232 1.00 4.22 H new ATOM 0 HB3 PHE A 70 -1.530 -8.439 7.655 1.00 4.22 H new ATOM 0 HD1 PHE A 70 -0.966 -10.713 10.555 1.00 41.24 H new ATOM 0 HD2 PHE A 70 0.266 -7.158 8.548 1.00 62.13 H new ATOM 0 HE1 PHE A 70 0.996 -10.562 12.024 1.00 2.53 H new ATOM 0 HE2 PHE A 70 2.232 -7.012 10.014 1.00 60.31 H new ATOM 0 HZ PHE A 70 2.594 -8.710 11.760 1.00 30.21 H new ATOM 1191 N VAL A 71 -2.851 -6.140 8.864 1.00 1.41 N ATOM 1192 CA VAL A 71 -2.770 -4.726 9.251 1.00 31.41 C ATOM 1193 C VAL A 71 -3.875 -4.366 10.263 1.00 31.00 C ATOM 1194 O VAL A 71 -3.642 -3.627 11.217 1.00 42.23 O ATOM 1195 CB VAL A 71 -2.870 -3.793 8.015 1.00 71.22 C ATOM 1196 CG1 VAL A 71 -2.829 -2.323 8.433 1.00 53.51 C ATOM 1197 CG2 VAL A 71 -1.752 -4.096 7.016 1.00 52.55 C ATOM 0 H VAL A 71 -2.945 -6.296 7.860 1.00 1.41 H new ATOM 0 HA VAL A 71 -1.797 -4.577 9.720 1.00 31.41 H new ATOM 0 HB VAL A 71 -3.827 -3.982 7.530 1.00 71.22 H new ATOM 0 HG11 VAL A 71 -2.901 -1.691 7.548 1.00 53.51 H new ATOM 0 HG12 VAL A 71 -3.665 -2.111 9.099 1.00 53.51 H new ATOM 0 HG13 VAL A 71 -1.892 -2.118 8.950 1.00 53.51 H new ATOM 0 HG21 VAL A 71 -1.841 -3.431 6.157 1.00 52.55 H new ATOM 0 HG22 VAL A 71 -0.785 -3.943 7.495 1.00 52.55 H new ATOM 0 HG23 VAL A 71 -1.832 -5.131 6.683 1.00 52.55 H new ATOM 1207 N LYS A 72 -5.071 -4.916 10.056 1.00 74.53 N ATOM 1208 CA LYS A 72 -6.196 -4.713 10.981 1.00 31.44 C ATOM 1209 C LYS A 72 -5.918 -5.342 12.361 1.00 3.22 C ATOM 1210 O LYS A 72 -6.479 -4.922 13.375 1.00 62.34 O ATOM 1211 CB LYS A 72 -7.480 -5.309 10.376 1.00 33.31 C ATOM 1212 CG LYS A 72 -8.725 -5.143 11.250 1.00 54.11 C ATOM 1213 CD LYS A 72 -9.941 -5.841 10.645 1.00 12.40 C ATOM 1214 CE LYS A 72 -11.168 -5.734 11.549 1.00 60.41 C ATOM 1215 NZ LYS A 72 -12.339 -6.454 10.984 1.00 10.51 N ATOM 0 H LYS A 72 -5.291 -5.508 9.255 1.00 74.53 H new ATOM 0 HA LYS A 72 -6.324 -3.640 11.127 1.00 31.44 H new ATOM 0 HB2 LYS A 72 -7.664 -4.840 9.410 1.00 33.31 H new ATOM 0 HB3 LYS A 72 -7.321 -6.371 10.189 1.00 33.31 H new ATOM 0 HG2 LYS A 72 -8.529 -5.549 12.242 1.00 54.11 H new ATOM 0 HG3 LYS A 72 -8.941 -4.082 11.377 1.00 54.11 H new ATOM 0 HD2 LYS A 72 -10.166 -5.401 9.674 1.00 12.40 H new ATOM 0 HD3 LYS A 72 -9.708 -6.892 10.472 1.00 12.40 H new ATOM 0 HE2 LYS A 72 -10.931 -6.142 12.532 1.00 60.41 H new ATOM 0 HE3 LYS A 72 -11.422 -4.684 11.692 1.00 60.41 H new ATOM 0 HZ1 LYS A 72 -13.150 -6.357 11.628 1.00 10.51 H new ATOM 0 HZ2 LYS A 72 -12.582 -6.049 10.057 1.00 10.51 H new ATOM 0 HZ3 LYS A 72 -12.106 -7.461 10.871 1.00 10.51 H new ATOM 1229 N SER A 73 -5.043 -6.346 12.391 1.00 20.04 N ATOM 1230 CA SER A 73 -4.726 -7.076 13.632 1.00 3.22 C ATOM 1231 C SER A 73 -3.779 -6.277 14.548 1.00 32.22 C ATOM 1232 O SER A 73 -3.680 -6.558 15.742 1.00 0.42 O ATOM 1233 CB SER A 73 -4.087 -8.437 13.302 1.00 74.33 C ATOM 1234 OG SER A 73 -4.915 -9.217 12.444 1.00 0.22 O ATOM 0 H SER A 73 -4.536 -6.678 11.571 1.00 20.04 H new ATOM 0 HA SER A 73 -5.665 -7.225 14.164 1.00 3.22 H new ATOM 0 HB2 SER A 73 -3.119 -8.278 12.827 1.00 74.33 H new ATOM 0 HB3 SER A 73 -3.902 -8.985 14.226 1.00 74.33 H new ATOM 0 HG SER A 73 -5.067 -8.732 11.606 1.00 0.22 H new ATOM 1240 N LEU A 74 -3.097 -5.279 13.986 1.00 60.43 N ATOM 1241 CA LEU A 74 -2.093 -4.498 14.727 1.00 54.14 C ATOM 1242 C LEU A 74 -2.710 -3.700 15.894 1.00 2.21 C ATOM 1243 O LEU A 74 -2.196 -3.717 17.014 1.00 40.24 O ATOM 1244 CB LEU A 74 -1.368 -3.538 13.771 1.00 51.24 C ATOM 1245 CG LEU A 74 -0.663 -4.203 12.576 1.00 45.11 C ATOM 1246 CD1 LEU A 74 -0.059 -3.149 11.653 1.00 33.43 C ATOM 1247 CD2 LEU A 74 0.408 -5.182 13.055 1.00 32.13 C ATOM 0 H LEU A 74 -3.219 -4.988 13.016 1.00 60.43 H new ATOM 0 HA LEU A 74 -1.385 -5.208 15.155 1.00 54.14 H new ATOM 0 HB2 LEU A 74 -2.091 -2.818 13.389 1.00 51.24 H new ATOM 0 HB3 LEU A 74 -0.628 -2.975 14.340 1.00 51.24 H new ATOM 0 HG LEU A 74 -1.407 -4.765 12.011 1.00 45.11 H new ATOM 0 HD11 LEU A 74 0.435 -3.640 10.814 1.00 33.43 H new ATOM 0 HD12 LEU A 74 -0.849 -2.498 11.278 1.00 33.43 H new ATOM 0 HD13 LEU A 74 0.669 -2.555 12.206 1.00 33.43 H new ATOM 0 HD21 LEU A 74 0.893 -5.640 12.193 1.00 32.13 H new ATOM 0 HD22 LEU A 74 1.150 -4.648 13.648 1.00 32.13 H new ATOM 0 HD23 LEU A 74 -0.055 -5.957 13.666 1.00 32.13 H new ATOM 1259 N GLY A 75 -3.810 -3.000 15.626 1.00 24.13 N ATOM 1260 CA GLY A 75 -4.447 -2.173 16.653 1.00 52.33 C ATOM 1261 C GLY A 75 -4.221 -0.678 16.439 1.00 23.14 C ATOM 1262 O GLY A 75 -4.557 0.142 17.298 1.00 63.52 O ATOM 0 H GLY A 75 -4.276 -2.987 14.719 1.00 24.13 H new ATOM 0 HA2 GLY A 75 -5.518 -2.375 16.662 1.00 52.33 H new ATOM 0 HA3 GLY A 75 -4.061 -2.457 17.632 1.00 52.33 H new ATOM 1266 N ALA A 76 -3.656 -0.323 15.288 1.00 15.34 N ATOM 1267 CA ALA A 76 -3.382 1.076 14.949 1.00 24.11 C ATOM 1268 C ALA A 76 -3.802 1.401 13.508 1.00 0.40 C ATOM 1269 O ALA A 76 -3.450 0.680 12.571 1.00 4.31 O ATOM 1270 CB ALA A 76 -1.902 1.387 15.148 1.00 74.43 C ATOM 0 H ALA A 76 -3.376 -0.989 14.568 1.00 15.34 H new ATOM 0 HA ALA A 76 -3.973 1.701 15.618 1.00 24.11 H new ATOM 0 HB1 ALA A 76 -1.712 2.429 14.893 1.00 74.43 H new ATOM 0 HB2 ALA A 76 -1.630 1.213 16.189 1.00 74.43 H new ATOM 0 HB3 ALA A 76 -1.305 0.741 14.504 1.00 74.43 H new ATOM 1276 N GLN A 77 -4.552 2.486 13.336 1.00 71.42 N ATOM 1277 CA GLN A 77 -4.992 2.916 12.004 1.00 34.34 C ATOM 1278 C GLN A 77 -3.842 3.578 11.219 1.00 1.43 C ATOM 1279 O GLN A 77 -3.339 4.638 11.591 1.00 21.42 O ATOM 1280 CB GLN A 77 -6.200 3.864 12.120 1.00 52.25 C ATOM 1281 CG GLN A 77 -5.977 5.063 13.036 1.00 25.33 C ATOM 1282 CD GLN A 77 -7.236 5.888 13.249 1.00 4.44 C ATOM 1283 OE1 GLN A 77 -8.347 5.369 13.227 1.00 30.01 O ATOM 1284 NE2 GLN A 77 -7.075 7.178 13.457 1.00 74.01 N ATOM 0 H GLN A 77 -4.869 3.085 14.098 1.00 71.42 H new ATOM 0 HA GLN A 77 -5.299 2.031 11.446 1.00 34.34 H new ATOM 0 HB2 GLN A 77 -6.459 4.226 11.125 1.00 52.25 H new ATOM 0 HB3 GLN A 77 -7.057 3.298 12.486 1.00 52.25 H new ATOM 0 HG2 GLN A 77 -5.611 4.713 14.001 1.00 25.33 H new ATOM 0 HG3 GLN A 77 -5.200 5.699 12.611 1.00 25.33 H new ATOM 0 HE21 GLN A 77 -6.137 7.579 13.469 1.00 74.01 H new ATOM 0 HE22 GLN A 77 -7.888 7.776 13.606 1.00 74.01 H new ATOM 1293 N VAL A 78 -3.415 2.924 10.145 1.00 52.13 N ATOM 1294 CA VAL A 78 -2.307 3.411 9.309 1.00 52.21 C ATOM 1295 C VAL A 78 -2.795 3.843 7.916 1.00 24.54 C ATOM 1296 O VAL A 78 -3.920 3.538 7.519 1.00 22.30 O ATOM 1297 CB VAL A 78 -1.198 2.337 9.154 1.00 63.23 C ATOM 1298 CG1 VAL A 78 -0.566 2.016 10.508 1.00 73.24 C ATOM 1299 CG2 VAL A 78 -1.753 1.073 8.497 1.00 73.24 C ATOM 0 H VAL A 78 -3.820 2.045 9.824 1.00 52.13 H new ATOM 0 HA VAL A 78 -1.891 4.279 9.820 1.00 52.21 H new ATOM 0 HB VAL A 78 -0.421 2.740 8.504 1.00 63.23 H new ATOM 0 HG11 VAL A 78 0.209 1.261 10.378 1.00 73.24 H new ATOM 0 HG12 VAL A 78 -0.125 2.920 10.927 1.00 73.24 H new ATOM 0 HG13 VAL A 78 -1.331 1.638 11.186 1.00 73.24 H new ATOM 0 HG21 VAL A 78 -0.957 0.335 8.399 1.00 73.24 H new ATOM 0 HG22 VAL A 78 -2.554 0.664 9.113 1.00 73.24 H new ATOM 0 HG23 VAL A 78 -2.144 1.318 7.510 1.00 73.24 H new ATOM 1309 N LEU A 79 -1.943 4.560 7.185 1.00 43.15 N ATOM 1310 CA LEU A 79 -2.287 5.045 5.842 1.00 33.44 C ATOM 1311 C LEU A 79 -2.072 3.919 4.814 1.00 13.21 C ATOM 1312 O LEU A 79 -0.998 3.322 4.755 1.00 14.53 O ATOM 1313 CB LEU A 79 -1.407 6.270 5.491 1.00 54.14 C ATOM 1314 CG LEU A 79 -2.002 7.293 4.496 1.00 13.54 C ATOM 1315 CD1 LEU A 79 -2.416 6.634 3.180 1.00 14.35 C ATOM 1316 CD2 LEU A 79 -3.177 8.035 5.130 1.00 25.03 C ATOM 0 H LEU A 79 -1.007 4.820 7.497 1.00 43.15 H new ATOM 0 HA LEU A 79 -3.334 5.346 5.820 1.00 33.44 H new ATOM 0 HB2 LEU A 79 -1.170 6.795 6.417 1.00 54.14 H new ATOM 0 HB3 LEU A 79 -0.465 5.906 5.081 1.00 54.14 H new ATOM 0 HG LEU A 79 -1.221 8.016 4.260 1.00 13.54 H new ATOM 0 HD11 LEU A 79 -2.829 7.388 2.510 1.00 14.35 H new ATOM 0 HD12 LEU A 79 -1.545 6.172 2.715 1.00 14.35 H new ATOM 0 HD13 LEU A 79 -3.170 5.871 3.376 1.00 14.35 H new ATOM 0 HD21 LEU A 79 -3.583 8.751 4.416 1.00 25.03 H new ATOM 0 HD22 LEU A 79 -3.951 7.320 5.408 1.00 25.03 H new ATOM 0 HD23 LEU A 79 -2.836 8.564 6.020 1.00 25.03 H new ATOM 1328 N ILE A 80 -3.093 3.620 4.012 1.00 24.44 N ATOM 1329 CA ILE A 80 -3.005 2.538 3.023 1.00 72.53 C ATOM 1330 C ILE A 80 -3.358 3.024 1.608 1.00 2.51 C ATOM 1331 O ILE A 80 -4.468 3.488 1.364 1.00 73.43 O ATOM 1332 CB ILE A 80 -3.945 1.361 3.400 1.00 42.41 C ATOM 1333 CG1 ILE A 80 -3.600 0.826 4.804 1.00 12.21 C ATOM 1334 CG2 ILE A 80 -3.866 0.242 2.360 1.00 31.43 C ATOM 1335 CD1 ILE A 80 -4.521 -0.277 5.289 1.00 44.15 C ATOM 0 H ILE A 80 -3.989 4.108 4.025 1.00 24.44 H new ATOM 0 HA ILE A 80 -1.970 2.197 3.028 1.00 72.53 H new ATOM 0 HB ILE A 80 -4.969 1.734 3.414 1.00 42.41 H new ATOM 0 HG12 ILE A 80 -2.576 0.453 4.798 1.00 12.21 H new ATOM 0 HG13 ILE A 80 -3.634 1.652 5.514 1.00 12.21 H new ATOM 0 HG21 ILE A 80 -4.534 -0.570 2.648 1.00 31.43 H new ATOM 0 HG22 ILE A 80 -4.164 0.629 1.386 1.00 31.43 H new ATOM 0 HG23 ILE A 80 -2.844 -0.132 2.304 1.00 31.43 H new ATOM 0 HD11 ILE A 80 -4.211 -0.598 6.283 1.00 44.15 H new ATOM 0 HD12 ILE A 80 -5.545 0.096 5.330 1.00 44.15 H new ATOM 0 HD13 ILE A 80 -4.470 -1.122 4.602 1.00 44.15 H new ATOM 1347 N ILE A 81 -2.410 2.919 0.680 1.00 11.22 N ATOM 1348 CA ILE A 81 -2.662 3.246 -0.728 1.00 33.54 C ATOM 1349 C ILE A 81 -2.802 1.965 -1.564 1.00 21.45 C ATOM 1350 O ILE A 81 -2.001 1.042 -1.438 1.00 44.43 O ATOM 1351 CB ILE A 81 -1.531 4.123 -1.327 1.00 52.20 C ATOM 1352 CG1 ILE A 81 -1.419 5.454 -0.564 1.00 23.03 C ATOM 1353 CG2 ILE A 81 -1.772 4.373 -2.819 1.00 4.33 C ATOM 1354 CD1 ILE A 81 -0.341 6.375 -1.101 1.00 1.43 C ATOM 0 H ILE A 81 -1.458 2.610 0.874 1.00 11.22 H new ATOM 0 HA ILE A 81 -3.593 3.811 -0.762 1.00 33.54 H new ATOM 0 HB ILE A 81 -0.588 3.586 -1.221 1.00 52.20 H new ATOM 0 HG12 ILE A 81 -2.379 5.969 -0.606 1.00 23.03 H new ATOM 0 HG13 ILE A 81 -1.216 5.245 0.486 1.00 23.03 H new ATOM 0 HG21 ILE A 81 -0.967 4.990 -3.219 1.00 4.33 H new ATOM 0 HG22 ILE A 81 -1.796 3.420 -3.348 1.00 4.33 H new ATOM 0 HG23 ILE A 81 -2.724 4.887 -2.953 1.00 4.33 H new ATOM 0 HD11 ILE A 81 -0.321 7.293 -0.514 1.00 1.43 H new ATOM 0 HD12 ILE A 81 0.628 5.880 -1.033 1.00 1.43 H new ATOM 0 HD13 ILE A 81 -0.553 6.615 -2.143 1.00 1.43 H new ATOM 1366 N ILE A 82 -3.824 1.909 -2.415 1.00 43.51 N ATOM 1367 CA ILE A 82 -4.070 0.728 -3.254 1.00 65.12 C ATOM 1368 C ILE A 82 -4.087 1.103 -4.747 1.00 31.51 C ATOM 1369 O ILE A 82 -4.717 2.087 -5.142 1.00 61.51 O ATOM 1370 CB ILE A 82 -5.408 0.041 -2.876 1.00 15.34 C ATOM 1371 CG1 ILE A 82 -5.446 -0.273 -1.369 1.00 64.02 C ATOM 1372 CG2 ILE A 82 -5.609 -1.236 -3.692 1.00 71.33 C ATOM 1373 CD1 ILE A 82 -6.733 -0.929 -0.906 1.00 3.43 C ATOM 0 H ILE A 82 -4.497 2.664 -2.545 1.00 43.51 H new ATOM 0 HA ILE A 82 -3.253 0.029 -3.075 1.00 65.12 H new ATOM 0 HB ILE A 82 -6.222 0.728 -3.108 1.00 15.34 H new ATOM 0 HG12 ILE A 82 -4.609 -0.926 -1.124 1.00 64.02 H new ATOM 0 HG13 ILE A 82 -5.302 0.653 -0.812 1.00 64.02 H new ATOM 0 HG21 ILE A 82 -6.553 -1.702 -3.411 1.00 71.33 H new ATOM 0 HG22 ILE A 82 -5.627 -0.990 -4.754 1.00 71.33 H new ATOM 0 HG23 ILE A 82 -4.790 -1.927 -3.494 1.00 71.33 H new ATOM 0 HD11 ILE A 82 -6.680 -1.117 0.166 1.00 3.43 H new ATOM 0 HD12 ILE A 82 -7.574 -0.269 -1.117 1.00 3.43 H new ATOM 0 HD13 ILE A 82 -6.871 -1.873 -1.434 1.00 3.43 H new ATOM 1385 N TYR A 83 -3.396 0.314 -5.570 1.00 2.10 N ATOM 1386 CA TYR A 83 -3.299 0.585 -7.010 1.00 45.33 C ATOM 1387 C TYR A 83 -3.829 -0.581 -7.863 1.00 21.41 C ATOM 1388 O TYR A 83 -3.329 -1.707 -7.784 1.00 1.15 O ATOM 1389 CB TYR A 83 -1.843 0.885 -7.398 1.00 60.32 C ATOM 1390 CG TYR A 83 -1.628 1.018 -8.900 1.00 52.30 C ATOM 1391 CD1 TYR A 83 -2.046 2.153 -9.585 1.00 52.13 C ATOM 1392 CD2 TYR A 83 -1.024 -0.003 -9.634 1.00 4.44 C ATOM 1393 CE1 TYR A 83 -1.869 2.270 -10.951 1.00 72.41 C ATOM 1394 CE2 TYR A 83 -0.847 0.109 -11.004 1.00 42.13 C ATOM 1395 CZ TYR A 83 -1.270 1.249 -11.656 1.00 53.34 C ATOM 1396 OH TYR A 83 -1.100 1.367 -13.020 1.00 35.51 O ATOM 0 H TYR A 83 -2.893 -0.520 -5.266 1.00 2.10 H new ATOM 0 HA TYR A 83 -3.924 1.455 -7.212 1.00 45.33 H new ATOM 0 HB2 TYR A 83 -1.529 1.808 -6.911 1.00 60.32 H new ATOM 0 HB3 TYR A 83 -1.203 0.090 -7.017 1.00 60.32 H new ATOM 0 HD1 TYR A 83 -2.517 2.958 -9.040 1.00 52.13 H new ATOM 0 HD2 TYR A 83 -0.689 -0.895 -9.126 1.00 4.44 H new ATOM 0 HE1 TYR A 83 -2.200 3.160 -11.465 1.00 72.41 H new ATOM 0 HE2 TYR A 83 -0.380 -0.692 -11.558 1.00 42.13 H new ATOM 0 HH TYR A 83 -0.661 0.562 -13.366 1.00 35.51 H new ATOM 1406 N ASP A 84 -4.835 -0.284 -8.684 1.00 0.01 N ATOM 1407 CA ASP A 84 -5.329 -1.216 -9.702 1.00 61.13 C ATOM 1408 C ASP A 84 -5.783 -0.431 -10.945 1.00 12.33 C ATOM 1409 O ASP A 84 -6.194 0.729 -10.844 1.00 51.15 O ATOM 1410 CB ASP A 84 -6.483 -2.075 -9.158 1.00 63.21 C ATOM 1411 CG ASP A 84 -6.932 -3.136 -10.155 1.00 61.12 C ATOM 1412 OD1 ASP A 84 -6.226 -4.151 -10.311 1.00 2.31 O ATOM 1413 OD2 ASP A 84 -7.974 -2.948 -10.809 1.00 52.32 O ATOM 0 H ASP A 84 -5.331 0.607 -8.664 1.00 0.01 H new ATOM 0 HA ASP A 84 -4.517 -1.889 -9.977 1.00 61.13 H new ATOM 0 HB2 ASP A 84 -6.169 -2.558 -8.233 1.00 63.21 H new ATOM 0 HB3 ASP A 84 -7.327 -1.431 -8.911 1.00 63.21 H new ATOM 1418 N GLN A 85 -5.692 -1.057 -12.115 1.00 54.45 N ATOM 1419 CA GLN A 85 -6.026 -0.391 -13.379 1.00 4.14 C ATOM 1420 C GLN A 85 -7.547 -0.177 -13.535 1.00 13.03 C ATOM 1421 O GLN A 85 -7.985 0.805 -14.145 1.00 40.43 O ATOM 1422 CB GLN A 85 -5.446 -1.196 -14.557 1.00 64.32 C ATOM 1423 CG GLN A 85 -5.700 -0.583 -15.939 1.00 55.33 C ATOM 1424 CD GLN A 85 -6.986 -1.077 -16.585 1.00 75.35 C ATOM 1425 OE1 GLN A 85 -7.395 -2.215 -16.386 1.00 2.43 O ATOM 1426 NE2 GLN A 85 -7.630 -0.230 -17.363 1.00 62.32 N ATOM 0 H GLN A 85 -5.390 -2.026 -12.218 1.00 54.45 H new ATOM 0 HA GLN A 85 -5.575 0.601 -13.374 1.00 4.14 H new ATOM 0 HB2 GLN A 85 -4.371 -1.301 -14.413 1.00 64.32 H new ATOM 0 HB3 GLN A 85 -5.870 -2.200 -14.537 1.00 64.32 H new ATOM 0 HG2 GLN A 85 -5.741 0.502 -15.846 1.00 55.33 H new ATOM 0 HG3 GLN A 85 -4.860 -0.816 -16.593 1.00 55.33 H new ATOM 0 HE21 GLN A 85 -7.262 0.710 -17.508 1.00 62.32 H new ATOM 0 HE22 GLN A 85 -8.496 -0.515 -17.820 1.00 62.32 H new ATOM 1435 N ASP A 86 -8.347 -1.086 -12.977 1.00 13.50 N ATOM 1436 CA ASP A 86 -9.811 -0.977 -13.036 1.00 54.13 C ATOM 1437 C ASP A 86 -10.409 -0.546 -11.690 1.00 0.42 C ATOM 1438 O ASP A 86 -10.298 -1.255 -10.689 1.00 51.20 O ATOM 1439 CB ASP A 86 -10.445 -2.310 -13.470 1.00 61.30 C ATOM 1440 CG ASP A 86 -10.632 -2.420 -14.972 1.00 73.31 C ATOM 1441 OD1 ASP A 86 -11.123 -1.448 -15.583 1.00 43.31 O ATOM 1442 OD2 ASP A 86 -10.347 -3.495 -15.538 1.00 41.12 O ATOM 0 H ASP A 86 -8.008 -1.908 -12.478 1.00 13.50 H new ATOM 0 HA ASP A 86 -10.038 -0.209 -13.775 1.00 54.13 H new ATOM 0 HB2 ASP A 86 -9.817 -3.133 -13.127 1.00 61.30 H new ATOM 0 HB3 ASP A 86 -11.412 -2.422 -12.980 1.00 61.30 H new ATOM 1447 N GLN A 87 -11.082 0.603 -11.677 1.00 25.12 N ATOM 1448 CA GLN A 87 -11.799 1.060 -10.481 1.00 5.44 C ATOM 1449 C GLN A 87 -12.890 0.053 -10.084 1.00 63.44 C ATOM 1450 O GLN A 87 -13.316 0.001 -8.931 1.00 31.44 O ATOM 1451 CB GLN A 87 -12.413 2.447 -10.708 1.00 31.23 C ATOM 1452 CG GLN A 87 -11.379 3.560 -10.850 1.00 62.21 C ATOM 1453 CD GLN A 87 -12.002 4.942 -10.960 1.00 35.23 C ATOM 1454 OE1 GLN A 87 -13.082 5.194 -10.437 1.00 54.12 O ATOM 1455 NE2 GLN A 87 -11.321 5.855 -11.620 1.00 73.01 N ATOM 0 H GLN A 87 -11.148 1.234 -12.475 1.00 25.12 H new ATOM 0 HA GLN A 87 -11.080 1.132 -9.665 1.00 5.44 H new ATOM 0 HB2 GLN A 87 -13.029 2.419 -11.607 1.00 31.23 H new ATOM 0 HB3 GLN A 87 -13.075 2.682 -9.875 1.00 31.23 H new ATOM 0 HG2 GLN A 87 -10.709 3.537 -9.990 1.00 62.21 H new ATOM 0 HG3 GLN A 87 -10.770 3.371 -11.734 1.00 62.21 H new ATOM 0 HE21 GLN A 87 -10.425 5.615 -12.044 1.00 73.01 H new ATOM 0 HE22 GLN A 87 -11.689 6.802 -11.707 1.00 73.01 H new ATOM 1464 N ASN A 88 -13.330 -0.749 -11.056 1.00 12.42 N ATOM 1465 CA ASN A 88 -14.315 -1.809 -10.813 1.00 62.13 C ATOM 1466 C ASN A 88 -13.792 -2.835 -9.785 1.00 44.12 C ATOM 1467 O ASN A 88 -14.543 -3.316 -8.937 1.00 53.51 O ATOM 1468 CB ASN A 88 -14.670 -2.497 -12.139 1.00 4.10 C ATOM 1469 CG ASN A 88 -15.805 -3.497 -12.003 1.00 50.43 C ATOM 1470 OD1 ASN A 88 -16.657 -3.379 -11.131 1.00 2.43 O ATOM 1471 ND2 ASN A 88 -15.839 -4.474 -12.885 1.00 14.11 N ATOM 0 H ASN A 88 -13.018 -0.685 -12.025 1.00 12.42 H new ATOM 0 HA ASN A 88 -15.214 -1.358 -10.394 1.00 62.13 H new ATOM 0 HB2 ASN A 88 -14.946 -1.740 -12.872 1.00 4.10 H new ATOM 0 HB3 ASN A 88 -13.788 -3.007 -12.525 1.00 4.10 H new ATOM 0 HD21 ASN A 88 -16.591 -5.162 -12.855 1.00 14.11 H new ATOM 0 HD22 ASN A 88 -15.113 -4.543 -13.598 1.00 14.11 H new ATOM 1478 N ARG A 89 -12.498 -3.163 -9.862 1.00 22.12 N ATOM 1479 CA ARG A 89 -11.861 -4.038 -8.863 1.00 61.52 C ATOM 1480 C ARG A 89 -11.409 -3.206 -7.655 1.00 21.35 C ATOM 1481 O ARG A 89 -11.703 -3.522 -6.499 1.00 5.02 O ATOM 1482 CB ARG A 89 -10.622 -4.739 -9.445 1.00 54.54 C ATOM 1483 CG ARG A 89 -10.755 -5.215 -10.886 1.00 12.13 C ATOM 1484 CD ARG A 89 -9.458 -5.872 -11.352 1.00 23.24 C ATOM 1485 NE ARG A 89 -9.367 -5.985 -12.805 1.00 14.31 N ATOM 1486 CZ ARG A 89 -8.365 -5.516 -13.503 1.00 2.22 C ATOM 1487 NH1 ARG A 89 -7.429 -4.824 -12.932 1.00 20.50 N ATOM 1488 NH2 ARG A 89 -8.312 -5.714 -14.777 1.00 14.42 N ATOM 0 H ARG A 89 -11.872 -2.840 -10.599 1.00 22.12 H new ATOM 0 HA ARG A 89 -12.596 -4.787 -8.566 1.00 61.52 H new ATOM 0 HB2 ARG A 89 -9.776 -4.054 -9.383 1.00 54.54 H new ATOM 0 HB3 ARG A 89 -10.383 -5.598 -8.817 1.00 54.54 H new ATOM 0 HG2 ARG A 89 -11.579 -5.924 -10.967 1.00 12.13 H new ATOM 0 HG3 ARG A 89 -10.996 -4.372 -11.533 1.00 12.13 H new ATOM 0 HD2 ARG A 89 -8.611 -5.293 -10.984 1.00 23.24 H new ATOM 0 HD3 ARG A 89 -9.381 -6.865 -10.910 1.00 23.24 H new ATOM 0 HE ARG A 89 -10.124 -6.454 -13.302 1.00 14.31 H new ATOM 0 HH11 ARG A 89 -7.470 -4.641 -11.929 1.00 20.50 H new ATOM 0 HH12 ARG A 89 -6.652 -4.463 -13.485 1.00 20.50 H new ATOM 0 HH21 ARG A 89 -9.053 -6.238 -15.243 1.00 14.42 H new ATOM 0 HH22 ARG A 89 -7.529 -5.347 -15.318 1.00 14.42 H new ATOM 1502 N LEU A 90 -10.676 -2.138 -7.968 1.00 20.24 N ATOM 1503 CA LEU A 90 -10.088 -1.233 -6.976 1.00 64.02 C ATOM 1504 C LEU A 90 -11.102 -0.808 -5.896 1.00 4.44 C ATOM 1505 O LEU A 90 -10.880 -1.029 -4.704 1.00 11.53 O ATOM 1506 CB LEU A 90 -9.530 -0.004 -7.712 1.00 53.42 C ATOM 1507 CG LEU A 90 -8.687 0.966 -6.873 1.00 74.22 C ATOM 1508 CD1 LEU A 90 -7.473 0.258 -6.277 1.00 62.21 C ATOM 1509 CD2 LEU A 90 -8.252 2.162 -7.722 1.00 33.34 C ATOM 0 H LEU A 90 -10.470 -1.872 -8.931 1.00 20.24 H new ATOM 0 HA LEU A 90 -9.289 -1.759 -6.454 1.00 64.02 H new ATOM 0 HB2 LEU A 90 -8.922 -0.352 -8.547 1.00 53.42 H new ATOM 0 HB3 LEU A 90 -10.367 0.550 -8.137 1.00 53.42 H new ATOM 0 HG LEU A 90 -9.301 1.330 -6.049 1.00 74.22 H new ATOM 0 HD11 LEU A 90 -6.892 0.967 -5.687 1.00 62.21 H new ATOM 0 HD12 LEU A 90 -7.806 -0.559 -5.637 1.00 62.21 H new ATOM 0 HD13 LEU A 90 -6.853 -0.140 -7.080 1.00 62.21 H new ATOM 0 HD21 LEU A 90 -7.655 2.842 -7.114 1.00 33.34 H new ATOM 0 HD22 LEU A 90 -7.657 1.812 -8.566 1.00 33.34 H new ATOM 0 HD23 LEU A 90 -9.134 2.685 -8.092 1.00 33.34 H new ATOM 1521 N GLU A 91 -12.216 -0.215 -6.318 1.00 62.13 N ATOM 1522 CA GLU A 91 -13.251 0.238 -5.381 1.00 24.13 C ATOM 1523 C GLU A 91 -13.982 -0.944 -4.719 1.00 2.51 C ATOM 1524 O GLU A 91 -14.361 -0.866 -3.549 1.00 31.24 O ATOM 1525 CB GLU A 91 -14.247 1.164 -6.092 1.00 35.24 C ATOM 1526 CG GLU A 91 -13.653 2.515 -6.497 1.00 31.13 C ATOM 1527 CD GLU A 91 -13.225 3.355 -5.298 1.00 41.21 C ATOM 1528 OE1 GLU A 91 -14.094 4.031 -4.701 1.00 4.00 O ATOM 1529 OE2 GLU A 91 -12.028 3.335 -4.942 1.00 42.03 O ATOM 0 H GLU A 91 -12.429 -0.035 -7.299 1.00 62.13 H new ATOM 0 HA GLU A 91 -12.756 0.797 -4.587 1.00 24.13 H new ATOM 0 HB2 GLU A 91 -14.624 0.662 -6.983 1.00 35.24 H new ATOM 0 HB3 GLU A 91 -15.101 1.335 -5.437 1.00 35.24 H new ATOM 0 HG2 GLU A 91 -12.792 2.349 -7.145 1.00 31.13 H new ATOM 0 HG3 GLU A 91 -14.388 3.070 -7.080 1.00 31.13 H new ATOM 1536 N GLU A 92 -14.163 -2.040 -5.462 1.00 10.10 N ATOM 1537 CA GLU A 92 -14.763 -3.266 -4.912 1.00 32.22 C ATOM 1538 C GLU A 92 -14.039 -3.702 -3.629 1.00 12.41 C ATOM 1539 O GLU A 92 -14.668 -4.019 -2.616 1.00 11.11 O ATOM 1540 CB GLU A 92 -14.706 -4.396 -5.955 1.00 63.13 C ATOM 1541 CG GLU A 92 -15.122 -5.764 -5.422 1.00 53.24 C ATOM 1542 CD GLU A 92 -15.028 -6.861 -6.475 1.00 63.55 C ATOM 1543 OE1 GLU A 92 -13.918 -7.395 -6.698 1.00 51.22 O ATOM 1544 OE2 GLU A 92 -16.066 -7.195 -7.089 1.00 22.34 O ATOM 0 H GLU A 92 -13.904 -2.106 -6.446 1.00 10.10 H new ATOM 0 HA GLU A 92 -15.804 -3.056 -4.666 1.00 32.22 H new ATOM 0 HB2 GLU A 92 -15.352 -4.134 -6.793 1.00 63.13 H new ATOM 0 HB3 GLU A 92 -13.690 -4.464 -6.344 1.00 63.13 H new ATOM 0 HG2 GLU A 92 -14.490 -6.026 -4.574 1.00 53.24 H new ATOM 0 HG3 GLU A 92 -16.146 -5.709 -5.052 1.00 53.24 H new ATOM 1551 N PHE A 93 -12.714 -3.706 -3.686 1.00 61.04 N ATOM 1552 CA PHE A 93 -11.882 -4.045 -2.529 1.00 54.00 C ATOM 1553 C PHE A 93 -11.781 -2.863 -1.544 1.00 63.00 C ATOM 1554 O PHE A 93 -11.780 -3.049 -0.324 1.00 2.14 O ATOM 1555 CB PHE A 93 -10.486 -4.464 -3.011 1.00 21.41 C ATOM 1556 CG PHE A 93 -9.536 -4.847 -1.905 1.00 24.01 C ATOM 1557 CD1 PHE A 93 -9.862 -5.857 -1.010 1.00 14.42 C ATOM 1558 CD2 PHE A 93 -8.313 -4.203 -1.765 1.00 45.32 C ATOM 1559 CE1 PHE A 93 -8.991 -6.214 0.000 1.00 13.32 C ATOM 1560 CE2 PHE A 93 -7.440 -4.558 -0.755 1.00 11.53 C ATOM 1561 CZ PHE A 93 -7.780 -5.563 0.127 1.00 21.41 C ATOM 0 H PHE A 93 -12.184 -3.477 -4.527 1.00 61.04 H new ATOM 0 HA PHE A 93 -12.348 -4.875 -1.997 1.00 54.00 H new ATOM 0 HB2 PHE A 93 -10.588 -5.307 -3.694 1.00 21.41 H new ATOM 0 HB3 PHE A 93 -10.050 -3.643 -3.581 1.00 21.41 H new ATOM 0 HD1 PHE A 93 -10.808 -6.369 -1.105 1.00 14.42 H new ATOM 0 HD2 PHE A 93 -8.042 -3.416 -2.453 1.00 45.32 H new ATOM 0 HE1 PHE A 93 -9.257 -7.001 0.690 1.00 13.32 H new ATOM 0 HE2 PHE A 93 -6.492 -4.049 -0.656 1.00 11.53 H new ATOM 0 HZ PHE A 93 -7.098 -5.841 0.917 1.00 21.41 H new ATOM 1571 N SER A 94 -11.712 -1.649 -2.090 1.00 65.01 N ATOM 1572 CA SER A 94 -11.599 -0.419 -1.285 1.00 62.21 C ATOM 1573 C SER A 94 -12.712 -0.302 -0.232 1.00 41.34 C ATOM 1574 O SER A 94 -12.469 0.124 0.899 1.00 2.43 O ATOM 1575 CB SER A 94 -11.636 0.813 -2.199 1.00 74.11 C ATOM 1576 OG SER A 94 -11.533 2.022 -1.460 1.00 45.01 O ATOM 0 H SER A 94 -11.732 -1.484 -3.096 1.00 65.01 H new ATOM 0 HA SER A 94 -10.646 -0.471 -0.758 1.00 62.21 H new ATOM 0 HB2 SER A 94 -10.819 0.756 -2.919 1.00 74.11 H new ATOM 0 HB3 SER A 94 -12.564 0.814 -2.770 1.00 74.11 H new ATOM 0 HG SER A 94 -11.559 2.785 -2.075 1.00 45.01 H new ATOM 1582 N ARG A 95 -13.933 -0.685 -0.610 1.00 35.15 N ATOM 1583 CA ARG A 95 -15.085 -0.603 0.299 1.00 64.31 C ATOM 1584 C ARG A 95 -14.848 -1.395 1.597 1.00 55.41 C ATOM 1585 O ARG A 95 -15.103 -0.895 2.696 1.00 5.20 O ATOM 1586 CB ARG A 95 -16.359 -1.110 -0.394 1.00 25.02 C ATOM 1587 CG ARG A 95 -16.777 -0.297 -1.619 1.00 63.34 C ATOM 1588 CD ARG A 95 -16.870 1.199 -1.320 1.00 4.40 C ATOM 1589 NE ARG A 95 -17.684 1.490 -0.137 1.00 64.44 N ATOM 1590 CZ ARG A 95 -18.852 2.073 -0.166 1.00 2.33 C ATOM 1591 NH1 ARG A 95 -19.418 2.371 -1.293 1.00 73.31 N ATOM 1592 NH2 ARG A 95 -19.456 2.347 0.943 1.00 2.13 N ATOM 0 H ARG A 95 -14.152 -1.054 -1.535 1.00 35.15 H new ATOM 0 HA ARG A 95 -15.212 0.447 0.563 1.00 64.31 H new ATOM 0 HB2 ARG A 95 -16.206 -2.146 -0.696 1.00 25.02 H new ATOM 0 HB3 ARG A 95 -17.177 -1.105 0.327 1.00 25.02 H new ATOM 0 HG2 ARG A 95 -16.059 -0.460 -2.423 1.00 63.34 H new ATOM 0 HG3 ARG A 95 -17.743 -0.654 -1.977 1.00 63.34 H new ATOM 0 HD2 ARG A 95 -15.867 1.599 -1.173 1.00 4.40 H new ATOM 0 HD3 ARG A 95 -17.294 1.712 -2.183 1.00 4.40 H new ATOM 0 HE ARG A 95 -17.312 1.218 0.773 1.00 64.44 H new ATOM 0 HH11 ARG A 95 -18.951 2.150 -2.172 1.00 73.31 H new ATOM 0 HH12 ARG A 95 -20.331 2.826 -1.301 1.00 73.31 H new ATOM 0 HH21 ARG A 95 -19.020 2.108 1.834 1.00 2.13 H new ATOM 0 HH22 ARG A 95 -20.369 2.802 0.928 1.00 2.13 H new ATOM 1606 N GLU A 96 -14.351 -2.624 1.470 1.00 23.02 N ATOM 1607 CA GLU A 96 -14.102 -3.472 2.639 1.00 14.11 C ATOM 1608 C GLU A 96 -12.957 -2.924 3.503 1.00 72.42 C ATOM 1609 O GLU A 96 -13.046 -2.916 4.731 1.00 0.20 O ATOM 1610 CB GLU A 96 -13.805 -4.914 2.208 1.00 15.42 C ATOM 1611 CG GLU A 96 -14.974 -5.588 1.491 1.00 2.34 C ATOM 1612 CD GLU A 96 -14.806 -7.094 1.359 1.00 1.51 C ATOM 1613 OE1 GLU A 96 -14.854 -7.790 2.396 1.00 44.03 O ATOM 1614 OE2 GLU A 96 -14.655 -7.592 0.225 1.00 12.42 O ATOM 0 H GLU A 96 -14.113 -3.055 0.576 1.00 23.02 H new ATOM 0 HA GLU A 96 -15.007 -3.467 3.246 1.00 14.11 H new ATOM 0 HB2 GLU A 96 -12.935 -4.917 1.551 1.00 15.42 H new ATOM 0 HB3 GLU A 96 -13.541 -5.501 3.088 1.00 15.42 H new ATOM 0 HG2 GLU A 96 -15.895 -5.378 2.034 1.00 2.34 H new ATOM 0 HG3 GLU A 96 -15.083 -5.152 0.498 1.00 2.34 H new ATOM 1621 N VAL A 97 -11.886 -2.458 2.857 1.00 60.33 N ATOM 1622 CA VAL A 97 -10.762 -1.844 3.577 1.00 31.41 C ATOM 1623 C VAL A 97 -11.229 -0.614 4.374 1.00 31.00 C ATOM 1624 O VAL A 97 -10.848 -0.422 5.531 1.00 35.11 O ATOM 1625 CB VAL A 97 -9.629 -1.421 2.608 1.00 10.22 C ATOM 1626 CG1 VAL A 97 -8.446 -0.830 3.379 1.00 4.12 C ATOM 1627 CG2 VAL A 97 -9.180 -2.606 1.754 1.00 32.32 C ATOM 0 H VAL A 97 -11.771 -2.492 1.844 1.00 60.33 H new ATOM 0 HA VAL A 97 -10.374 -2.597 4.263 1.00 31.41 H new ATOM 0 HB VAL A 97 -10.020 -0.650 1.944 1.00 10.22 H new ATOM 0 HG11 VAL A 97 -7.663 -0.540 2.678 1.00 4.12 H new ATOM 0 HG12 VAL A 97 -8.776 0.046 3.936 1.00 4.12 H new ATOM 0 HG13 VAL A 97 -8.055 -1.575 4.072 1.00 4.12 H new ATOM 0 HG21 VAL A 97 -8.384 -2.288 1.080 1.00 32.32 H new ATOM 0 HG22 VAL A 97 -8.812 -3.402 2.401 1.00 32.32 H new ATOM 0 HG23 VAL A 97 -10.024 -2.974 1.170 1.00 32.32 H new ATOM 1637 N ARG A 98 -12.068 0.206 3.742 1.00 43.14 N ATOM 1638 CA ARG A 98 -12.646 1.389 4.387 1.00 3.32 C ATOM 1639 C ARG A 98 -13.392 1.017 5.678 1.00 73.24 C ATOM 1640 O ARG A 98 -13.225 1.660 6.715 1.00 13.04 O ATOM 1641 CB ARG A 98 -13.619 2.087 3.422 1.00 4.14 C ATOM 1642 CG ARG A 98 -14.208 3.384 3.968 1.00 52.22 C ATOM 1643 CD ARG A 98 -13.152 4.477 4.080 1.00 70.32 C ATOM 1644 NE ARG A 98 -12.564 4.791 2.781 1.00 1.13 N ATOM 1645 CZ ARG A 98 -11.599 5.646 2.595 1.00 5.32 C ATOM 1646 NH1 ARG A 98 -11.073 6.277 3.593 1.00 1.04 N ATOM 1647 NH2 ARG A 98 -11.152 5.854 1.401 1.00 2.01 N ATOM 0 H ARG A 98 -12.366 0.072 2.776 1.00 43.14 H new ATOM 0 HA ARG A 98 -11.828 2.062 4.644 1.00 3.32 H new ATOM 0 HB2 ARG A 98 -13.098 2.301 2.488 1.00 4.14 H new ATOM 0 HB3 ARG A 98 -14.433 1.402 3.184 1.00 4.14 H new ATOM 0 HG2 ARG A 98 -15.014 3.721 3.316 1.00 52.22 H new ATOM 0 HG3 ARG A 98 -14.647 3.200 4.948 1.00 52.22 H new ATOM 0 HD2 ARG A 98 -13.601 5.375 4.504 1.00 70.32 H new ATOM 0 HD3 ARG A 98 -12.368 4.158 4.767 1.00 70.32 H new ATOM 0 HE ARG A 98 -12.934 4.308 1.963 1.00 1.13 H new ATOM 0 HH11 ARG A 98 -11.413 6.108 4.540 1.00 1.04 H new ATOM 0 HH12 ARG A 98 -10.318 6.944 3.434 1.00 1.04 H new ATOM 0 HH21 ARG A 98 -11.555 5.350 0.611 1.00 2.01 H new ATOM 0 HH22 ARG A 98 -10.397 6.522 1.248 1.00 2.01 H new ATOM 1661 N ARG A 99 -14.198 -0.041 5.605 1.00 41.33 N ATOM 1662 CA ARG A 99 -15.021 -0.484 6.739 1.00 74.52 C ATOM 1663 C ARG A 99 -14.183 -1.010 7.920 1.00 53.23 C ATOM 1664 O ARG A 99 -14.729 -1.316 8.983 1.00 32.41 O ATOM 1665 CB ARG A 99 -16.007 -1.567 6.281 1.00 55.12 C ATOM 1666 CG ARG A 99 -17.092 -1.059 5.334 1.00 14.11 C ATOM 1667 CD ARG A 99 -17.937 0.040 5.972 1.00 64.45 C ATOM 1668 NE ARG A 99 -19.069 0.424 5.132 1.00 11.32 N ATOM 1669 CZ ARG A 99 -19.678 1.576 5.202 1.00 51.44 C ATOM 1670 NH1 ARG A 99 -19.299 2.473 6.056 1.00 41.41 N ATOM 1671 NH2 ARG A 99 -20.677 1.825 4.424 1.00 13.04 N ATOM 0 H ARG A 99 -14.302 -0.614 4.767 1.00 41.33 H new ATOM 0 HA ARG A 99 -15.563 0.392 7.096 1.00 74.52 H new ATOM 0 HB2 ARG A 99 -15.452 -2.364 5.786 1.00 55.12 H new ATOM 0 HB3 ARG A 99 -16.482 -2.006 7.158 1.00 55.12 H new ATOM 0 HG2 ARG A 99 -16.630 -0.678 4.423 1.00 14.11 H new ATOM 0 HG3 ARG A 99 -17.736 -1.888 5.042 1.00 14.11 H new ATOM 0 HD2 ARG A 99 -18.304 -0.302 6.940 1.00 64.45 H new ATOM 0 HD3 ARG A 99 -17.313 0.914 6.159 1.00 64.45 H new ATOM 0 HE ARG A 99 -19.405 -0.252 4.446 1.00 11.32 H new ATOM 0 HH11 ARG A 99 -18.517 2.282 6.683 1.00 41.41 H new ATOM 0 HH12 ARG A 99 -19.782 3.370 6.102 1.00 41.41 H new ATOM 0 HH21 ARG A 99 -20.990 1.122 3.755 1.00 13.04 H new ATOM 0 HH22 ARG A 99 -21.154 2.725 4.478 1.00 13.04 H new ATOM 1685 N ARG A 100 -12.872 -1.130 7.738 1.00 33.45 N ATOM 1686 CA ARG A 100 -11.989 -1.617 8.809 1.00 40.02 C ATOM 1687 C ARG A 100 -11.370 -0.463 9.614 1.00 1.44 C ATOM 1688 O ARG A 100 -10.545 -0.686 10.501 1.00 11.00 O ATOM 1689 CB ARG A 100 -10.897 -2.515 8.215 1.00 74.13 C ATOM 1690 CG ARG A 100 -11.475 -3.688 7.436 1.00 23.11 C ATOM 1691 CD ARG A 100 -10.404 -4.649 6.930 1.00 61.41 C ATOM 1692 NE ARG A 100 -11.005 -5.843 6.336 1.00 2.11 N ATOM 1693 CZ ARG A 100 -10.350 -6.927 6.012 1.00 74.22 C ATOM 1694 NH1 ARG A 100 -9.064 -7.006 6.158 1.00 10.40 N ATOM 1695 NH2 ARG A 100 -10.987 -7.938 5.529 1.00 34.25 N ATOM 0 H ARG A 100 -12.393 -0.900 6.867 1.00 33.45 H new ATOM 0 HA ARG A 100 -12.593 -2.200 9.504 1.00 40.02 H new ATOM 0 HB2 ARG A 100 -10.261 -1.923 7.557 1.00 74.13 H new ATOM 0 HB3 ARG A 100 -10.263 -2.892 9.018 1.00 74.13 H new ATOM 0 HG2 ARG A 100 -12.173 -4.232 8.073 1.00 23.11 H new ATOM 0 HG3 ARG A 100 -12.046 -3.309 6.588 1.00 23.11 H new ATOM 0 HD2 ARG A 100 -9.780 -4.146 6.191 1.00 61.41 H new ATOM 0 HD3 ARG A 100 -9.752 -4.938 7.754 1.00 61.41 H new ATOM 0 HE ARG A 100 -12.010 -5.829 6.162 1.00 2.11 H new ATOM 0 HH11 ARG A 100 -8.544 -6.213 6.532 1.00 10.40 H new ATOM 0 HH12 ARG A 100 -8.573 -7.862 5.899 1.00 10.40 H new ATOM 0 HH21 ARG A 100 -11.998 -7.890 5.401 1.00 34.25 H new ATOM 0 HH22 ARG A 100 -10.480 -8.786 5.275 1.00 34.25 H new ATOM 1709 N GLY A 101 -11.786 0.764 9.306 1.00 0.23 N ATOM 1710 CA GLY A 101 -11.325 1.930 10.052 1.00 31.40 C ATOM 1711 C GLY A 101 -9.941 2.422 9.634 1.00 34.33 C ATOM 1712 O GLY A 101 -9.220 3.017 10.438 1.00 60.31 O ATOM 0 H GLY A 101 -12.437 0.974 8.550 1.00 0.23 H new ATOM 0 HA2 GLY A 101 -12.043 2.740 9.922 1.00 31.40 H new ATOM 0 HA3 GLY A 101 -11.308 1.687 11.114 1.00 31.40 H new ATOM 1716 N PHE A 102 -9.565 2.176 8.381 1.00 64.52 N ATOM 1717 CA PHE A 102 -8.265 2.629 7.859 1.00 34.00 C ATOM 1718 C PHE A 102 -8.413 3.712 6.782 1.00 1.41 C ATOM 1719 O PHE A 102 -9.302 3.648 5.931 1.00 63.54 O ATOM 1720 CB PHE A 102 -7.469 1.443 7.297 1.00 50.31 C ATOM 1721 CG PHE A 102 -6.996 0.484 8.359 1.00 31.12 C ATOM 1722 CD1 PHE A 102 -5.777 0.683 8.991 1.00 31.21 C ATOM 1723 CD2 PHE A 102 -7.768 -0.607 8.730 1.00 61.42 C ATOM 1724 CE1 PHE A 102 -5.340 -0.186 9.971 1.00 55.43 C ATOM 1725 CE2 PHE A 102 -7.334 -1.479 9.710 1.00 2.43 C ATOM 1726 CZ PHE A 102 -6.118 -1.266 10.331 1.00 32.40 C ATOM 0 H PHE A 102 -10.136 1.668 7.705 1.00 64.52 H new ATOM 0 HA PHE A 102 -7.724 3.069 8.697 1.00 34.00 H new ATOM 0 HB2 PHE A 102 -8.090 0.904 6.582 1.00 50.31 H new ATOM 0 HB3 PHE A 102 -6.606 1.821 6.749 1.00 50.31 H new ATOM 0 HD1 PHE A 102 -5.163 1.527 8.713 1.00 31.21 H new ATOM 0 HD2 PHE A 102 -8.719 -0.777 8.247 1.00 61.42 H new ATOM 0 HE1 PHE A 102 -4.389 -0.020 10.455 1.00 55.43 H new ATOM 0 HE2 PHE A 102 -7.944 -2.325 9.990 1.00 2.43 H new ATOM 0 HZ PHE A 102 -5.777 -1.945 11.098 1.00 32.40 H new ATOM 1736 N GLU A 103 -7.536 4.712 6.832 1.00 70.40 N ATOM 1737 CA GLU A 103 -7.471 5.738 5.790 1.00 41.51 C ATOM 1738 C GLU A 103 -6.877 5.152 4.504 1.00 44.43 C ATOM 1739 O GLU A 103 -5.656 5.095 4.337 1.00 40.15 O ATOM 1740 CB GLU A 103 -6.624 6.931 6.265 1.00 15.04 C ATOM 1741 CG GLU A 103 -7.294 7.801 7.328 1.00 10.24 C ATOM 1742 CD GLU A 103 -8.402 8.678 6.758 1.00 23.30 C ATOM 1743 OE1 GLU A 103 -9.557 8.211 6.667 1.00 73.20 O ATOM 1744 OE2 GLU A 103 -8.118 9.840 6.387 1.00 61.13 O ATOM 0 H GLU A 103 -6.858 4.835 7.584 1.00 70.40 H new ATOM 0 HA GLU A 103 -8.483 6.086 5.584 1.00 41.51 H new ATOM 0 HB2 GLU A 103 -5.681 6.555 6.663 1.00 15.04 H new ATOM 0 HB3 GLU A 103 -6.381 7.554 5.404 1.00 15.04 H new ATOM 0 HG2 GLU A 103 -7.708 7.161 8.107 1.00 10.24 H new ATOM 0 HG3 GLU A 103 -6.542 8.434 7.800 1.00 10.24 H new ATOM 1751 N VAL A 104 -7.746 4.699 3.607 1.00 3.34 N ATOM 1752 CA VAL A 104 -7.307 4.093 2.350 1.00 63.22 C ATOM 1753 C VAL A 104 -7.486 5.047 1.160 1.00 30.52 C ATOM 1754 O VAL A 104 -8.543 5.653 0.975 1.00 0.10 O ATOM 1755 CB VAL A 104 -8.047 2.755 2.071 1.00 15.44 C ATOM 1756 CG1 VAL A 104 -9.562 2.946 2.050 1.00 61.33 C ATOM 1757 CG2 VAL A 104 -7.557 2.124 0.765 1.00 24.01 C ATOM 0 H VAL A 104 -8.758 4.739 3.725 1.00 3.34 H new ATOM 0 HA VAL A 104 -6.243 3.885 2.463 1.00 63.22 H new ATOM 0 HB VAL A 104 -7.814 2.073 2.888 1.00 15.44 H new ATOM 0 HG11 VAL A 104 -10.047 1.990 1.852 1.00 61.33 H new ATOM 0 HG12 VAL A 104 -9.894 3.328 3.015 1.00 61.33 H new ATOM 0 HG13 VAL A 104 -9.828 3.656 1.267 1.00 61.33 H new ATOM 0 HG21 VAL A 104 -8.089 1.189 0.591 1.00 24.01 H new ATOM 0 HG22 VAL A 104 -7.745 2.808 -0.063 1.00 24.01 H new ATOM 0 HG23 VAL A 104 -6.488 1.925 0.836 1.00 24.01 H new ATOM 1767 N ARG A 105 -6.430 5.186 0.364 1.00 41.34 N ATOM 1768 CA ARG A 105 -6.463 6.003 -0.848 1.00 12.24 C ATOM 1769 C ARG A 105 -6.204 5.154 -2.098 1.00 11.50 C ATOM 1770 O ARG A 105 -5.160 4.514 -2.233 1.00 32.15 O ATOM 1771 CB ARG A 105 -5.446 7.151 -0.745 1.00 43.51 C ATOM 1772 CG ARG A 105 -6.031 8.428 -0.143 1.00 72.14 C ATOM 1773 CD ARG A 105 -7.035 9.081 -1.094 1.00 14.20 C ATOM 1774 NE ARG A 105 -6.407 9.438 -2.366 1.00 65.11 N ATOM 1775 CZ ARG A 105 -6.742 8.948 -3.532 1.00 34.03 C ATOM 1776 NH1 ARG A 105 -7.734 8.123 -3.652 1.00 1.43 N ATOM 1777 NH2 ARG A 105 -6.082 9.298 -4.581 1.00 72.13 N ATOM 0 H ARG A 105 -5.530 4.738 0.538 1.00 41.34 H new ATOM 0 HA ARG A 105 -7.461 6.431 -0.942 1.00 12.24 H new ATOM 0 HB2 ARG A 105 -4.602 6.825 -0.137 1.00 43.51 H new ATOM 0 HB3 ARG A 105 -5.057 7.372 -1.739 1.00 43.51 H new ATOM 0 HG2 ARG A 105 -6.521 8.196 0.803 1.00 72.14 H new ATOM 0 HG3 ARG A 105 -5.227 9.130 0.078 1.00 72.14 H new ATOM 0 HD2 ARG A 105 -7.865 8.398 -1.275 1.00 14.20 H new ATOM 0 HD3 ARG A 105 -7.452 9.974 -0.629 1.00 14.20 H new ATOM 0 HE ARG A 105 -5.650 10.121 -2.342 1.00 65.11 H new ATOM 0 HH11 ARG A 105 -8.269 7.845 -2.829 1.00 1.43 H new ATOM 0 HH12 ARG A 105 -7.980 7.752 -4.569 1.00 1.43 H new ATOM 0 HH21 ARG A 105 -5.304 9.953 -4.499 1.00 72.13 H new ATOM 0 HH22 ARG A 105 -6.337 8.920 -5.494 1.00 72.13 H new ATOM 1791 N THR A 106 -7.172 5.153 -3.002 1.00 43.42 N ATOM 1792 CA THR A 106 -7.104 4.356 -4.226 1.00 63.22 C ATOM 1793 C THR A 106 -6.684 5.199 -5.439 1.00 74.30 C ATOM 1794 O THR A 106 -7.203 6.298 -5.661 1.00 44.21 O ATOM 1795 CB THR A 106 -8.469 3.692 -4.514 1.00 3.45 C ATOM 1796 OG1 THR A 106 -9.508 4.683 -4.545 1.00 63.14 O ATOM 1797 CG2 THR A 106 -8.801 2.646 -3.454 1.00 64.13 C ATOM 0 H THR A 106 -8.027 5.702 -2.912 1.00 43.42 H new ATOM 0 HA THR A 106 -6.346 3.589 -4.065 1.00 63.22 H new ATOM 0 HB THR A 106 -8.404 3.201 -5.485 1.00 3.45 H new ATOM 0 HG1 THR A 106 -10.243 4.405 -3.960 1.00 63.14 H new ATOM 0 HG21 THR A 106 -9.767 2.193 -3.679 1.00 64.13 H new ATOM 0 HG22 THR A 106 -8.031 1.875 -3.450 1.00 64.13 H new ATOM 0 HG23 THR A 106 -8.843 3.122 -2.474 1.00 64.13 H new ATOM 1805 N VAL A 107 -5.731 4.678 -6.215 1.00 43.31 N ATOM 1806 CA VAL A 107 -5.226 5.359 -7.417 1.00 34.10 C ATOM 1807 C VAL A 107 -5.181 4.404 -8.625 1.00 73.43 C ATOM 1808 O VAL A 107 -5.019 3.194 -8.466 1.00 45.21 O ATOM 1809 CB VAL A 107 -3.810 5.950 -7.179 1.00 74.31 C ATOM 1810 CG1 VAL A 107 -3.840 7.028 -6.092 1.00 43.52 C ATOM 1811 CG2 VAL A 107 -2.820 4.842 -6.817 1.00 70.02 C ATOM 0 H VAL A 107 -5.288 3.778 -6.033 1.00 43.31 H new ATOM 0 HA VAL A 107 -5.919 6.173 -7.633 1.00 34.10 H new ATOM 0 HB VAL A 107 -3.478 6.418 -8.106 1.00 74.31 H new ATOM 0 HG11 VAL A 107 -2.835 7.425 -5.945 1.00 43.52 H new ATOM 0 HG12 VAL A 107 -4.508 7.834 -6.397 1.00 43.52 H new ATOM 0 HG13 VAL A 107 -4.198 6.594 -5.159 1.00 43.52 H new ATOM 0 HG21 VAL A 107 -1.833 5.275 -6.654 1.00 70.02 H new ATOM 0 HG22 VAL A 107 -3.151 4.341 -5.907 1.00 70.02 H new ATOM 0 HG23 VAL A 107 -2.769 4.119 -7.631 1.00 70.02 H new ATOM 1821 N THR A 108 -5.329 4.954 -9.834 1.00 62.30 N ATOM 1822 CA THR A 108 -5.349 4.138 -11.065 1.00 35.20 C ATOM 1823 C THR A 108 -4.184 4.467 -12.014 1.00 13.11 C ATOM 1824 O THR A 108 -4.104 3.926 -13.118 1.00 64.42 O ATOM 1825 CB THR A 108 -6.676 4.324 -11.839 1.00 72.40 C ATOM 1826 OG1 THR A 108 -6.803 5.685 -12.284 1.00 62.42 O ATOM 1827 CG2 THR A 108 -7.877 3.958 -10.970 1.00 2.22 C ATOM 0 H THR A 108 -5.437 5.956 -9.993 1.00 62.30 H new ATOM 0 HA THR A 108 -5.248 3.104 -10.734 1.00 35.20 H new ATOM 0 HB THR A 108 -6.656 3.658 -12.701 1.00 72.40 H new ATOM 0 HG1 THR A 108 -7.645 5.792 -12.774 1.00 62.42 H new ATOM 0 HG21 THR A 108 -8.795 4.099 -11.540 1.00 2.22 H new ATOM 0 HG22 THR A 108 -7.798 2.916 -10.660 1.00 2.22 H new ATOM 0 HG23 THR A 108 -7.896 4.598 -10.088 1.00 2.22 H new ATOM 1835 N SER A 109 -3.272 5.341 -11.587 1.00 10.24 N ATOM 1836 CA SER A 109 -2.122 5.728 -12.424 1.00 33.15 C ATOM 1837 C SER A 109 -0.934 6.182 -11.562 1.00 71.32 C ATOM 1838 O SER A 109 -1.116 6.578 -10.408 1.00 11.14 O ATOM 1839 CB SER A 109 -2.512 6.866 -13.382 1.00 3.35 C ATOM 1840 OG SER A 109 -2.627 8.101 -12.694 1.00 51.15 O ATOM 0 H SER A 109 -3.301 5.795 -10.674 1.00 10.24 H new ATOM 0 HA SER A 109 -1.826 4.850 -12.999 1.00 33.15 H new ATOM 0 HB2 SER A 109 -1.764 6.954 -14.169 1.00 3.35 H new ATOM 0 HB3 SER A 109 -3.459 6.628 -13.867 1.00 3.35 H new ATOM 0 HG SER A 109 -3.573 8.343 -12.612 1.00 51.15 H new ATOM 1846 N PRO A 110 0.303 6.131 -12.105 1.00 33.05 N ATOM 1847 CA PRO A 110 1.497 6.639 -11.399 1.00 42.34 C ATOM 1848 C PRO A 110 1.403 8.148 -11.113 1.00 22.44 C ATOM 1849 O PRO A 110 1.932 8.636 -10.115 1.00 11.12 O ATOM 1850 CB PRO A 110 2.650 6.329 -12.372 1.00 13.13 C ATOM 1851 CG PRO A 110 1.997 6.166 -13.706 1.00 52.24 C ATOM 1852 CD PRO A 110 0.645 5.572 -13.427 1.00 23.35 C ATOM 0 HA PRO A 110 1.625 6.177 -10.420 1.00 42.34 H new ATOM 0 HB2 PRO A 110 3.382 7.137 -12.387 1.00 13.13 H new ATOM 0 HB3 PRO A 110 3.181 5.423 -12.079 1.00 13.13 H new ATOM 0 HG2 PRO A 110 1.906 7.124 -14.217 1.00 52.24 H new ATOM 0 HG3 PRO A 110 2.585 5.515 -14.353 1.00 52.24 H new ATOM 0 HD2 PRO A 110 -0.085 5.855 -14.186 1.00 23.35 H new ATOM 0 HD3 PRO A 110 0.679 4.483 -13.408 1.00 23.35 H new ATOM 1860 N ASP A 111 0.715 8.876 -11.997 1.00 52.41 N ATOM 1861 CA ASP A 111 0.488 10.313 -11.821 1.00 21.33 C ATOM 1862 C ASP A 111 -0.401 10.591 -10.601 1.00 11.45 C ATOM 1863 O ASP A 111 -0.015 11.336 -9.697 1.00 44.42 O ATOM 1864 CB ASP A 111 -0.150 10.899 -13.083 1.00 32.53 C ATOM 1865 CG ASP A 111 0.739 10.726 -14.298 1.00 51.13 C ATOM 1866 OD1 ASP A 111 0.700 9.645 -14.921 1.00 74.34 O ATOM 1867 OD2 ASP A 111 1.497 11.663 -14.628 1.00 21.11 O ATOM 0 H ASP A 111 0.303 8.491 -12.847 1.00 52.41 H new ATOM 0 HA ASP A 111 1.453 10.791 -11.649 1.00 21.33 H new ATOM 0 HB2 ASP A 111 -1.110 10.414 -13.263 1.00 32.53 H new ATOM 0 HB3 ASP A 111 -0.352 11.959 -12.929 1.00 32.53 H new ATOM 1872 N ASP A 112 -1.590 9.986 -10.578 1.00 22.23 N ATOM 1873 CA ASP A 112 -2.498 10.124 -9.435 1.00 25.13 C ATOM 1874 C ASP A 112 -1.846 9.603 -8.145 1.00 33.35 C ATOM 1875 O ASP A 112 -2.024 10.182 -7.073 1.00 62.32 O ATOM 1876 CB ASP A 112 -3.820 9.393 -9.703 1.00 71.10 C ATOM 1877 CG ASP A 112 -4.676 10.111 -10.736 1.00 44.13 C ATOM 1878 OD1 ASP A 112 -5.342 11.103 -10.373 1.00 52.31 O ATOM 1879 OD2 ASP A 112 -4.693 9.692 -11.913 1.00 54.31 O ATOM 0 H ASP A 112 -1.946 9.399 -11.332 1.00 22.23 H new ATOM 0 HA ASP A 112 -2.710 11.185 -9.301 1.00 25.13 H new ATOM 0 HB2 ASP A 112 -3.610 8.381 -10.048 1.00 71.10 H new ATOM 0 HB3 ASP A 112 -4.378 9.302 -8.771 1.00 71.10 H new ATOM 1884 N PHE A 113 -1.081 8.515 -8.261 1.00 12.12 N ATOM 1885 CA PHE A 113 -0.334 7.964 -7.123 1.00 60.25 C ATOM 1886 C PHE A 113 0.653 8.993 -6.546 1.00 45.53 C ATOM 1887 O PHE A 113 0.612 9.299 -5.360 1.00 60.24 O ATOM 1888 CB PHE A 113 0.423 6.698 -7.543 1.00 44.54 C ATOM 1889 CG PHE A 113 1.334 6.146 -6.472 1.00 64.33 C ATOM 1890 CD1 PHE A 113 0.828 5.372 -5.435 1.00 63.50 C ATOM 1891 CD2 PHE A 113 2.699 6.404 -6.500 1.00 73.34 C ATOM 1892 CE1 PHE A 113 1.662 4.871 -4.454 1.00 42.43 C ATOM 1893 CE2 PHE A 113 3.536 5.904 -5.521 1.00 22.53 C ATOM 1894 CZ PHE A 113 3.017 5.137 -4.498 1.00 32.12 C ATOM 0 H PHE A 113 -0.961 7.996 -9.131 1.00 12.12 H new ATOM 0 HA PHE A 113 -1.056 7.712 -6.347 1.00 60.25 H new ATOM 0 HB2 PHE A 113 -0.299 5.931 -7.823 1.00 44.54 H new ATOM 0 HB3 PHE A 113 1.015 6.918 -8.432 1.00 44.54 H new ATOM 0 HD1 PHE A 113 -0.230 5.159 -5.395 1.00 63.50 H new ATOM 0 HD2 PHE A 113 3.111 7.004 -7.298 1.00 73.34 H new ATOM 0 HE1 PHE A 113 1.255 4.272 -3.653 1.00 42.43 H new ATOM 0 HE2 PHE A 113 4.595 6.113 -5.556 1.00 22.53 H new ATOM 0 HZ PHE A 113 3.670 4.745 -3.732 1.00 32.12 H new ATOM 1904 N LYS A 114 1.535 9.514 -7.398 1.00 73.21 N ATOM 1905 CA LYS A 114 2.539 10.505 -6.984 1.00 12.45 C ATOM 1906 C LYS A 114 1.900 11.696 -6.254 1.00 53.35 C ATOM 1907 O LYS A 114 2.249 12.007 -5.113 1.00 55.11 O ATOM 1908 CB LYS A 114 3.305 11.013 -8.212 1.00 54.44 C ATOM 1909 CG LYS A 114 4.283 12.145 -7.908 1.00 62.11 C ATOM 1910 CD LYS A 114 4.886 12.727 -9.182 1.00 54.41 C ATOM 1911 CE LYS A 114 5.798 13.912 -8.886 1.00 31.10 C ATOM 1912 NZ LYS A 114 5.079 15.018 -8.197 1.00 3.33 N ATOM 0 H LYS A 114 1.578 9.267 -8.387 1.00 73.21 H new ATOM 0 HA LYS A 114 3.222 10.012 -6.292 1.00 12.45 H new ATOM 0 HB2 LYS A 114 3.853 10.182 -8.655 1.00 54.44 H new ATOM 0 HB3 LYS A 114 2.588 11.356 -8.958 1.00 54.44 H new ATOM 0 HG2 LYS A 114 3.769 12.932 -7.356 1.00 62.11 H new ATOM 0 HG3 LYS A 114 5.081 11.774 -7.264 1.00 62.11 H new ATOM 0 HD2 LYS A 114 5.452 11.954 -9.703 1.00 54.41 H new ATOM 0 HD3 LYS A 114 4.086 13.042 -9.852 1.00 54.41 H new ATOM 0 HE2 LYS A 114 6.631 13.581 -8.266 1.00 31.10 H new ATOM 0 HE3 LYS A 114 6.223 14.283 -9.819 1.00 31.10 H new ATOM 0 HZ1 LYS A 114 5.361 15.928 -8.614 1.00 3.33 H new ATOM 0 HZ2 LYS A 114 4.053 14.888 -8.309 1.00 3.33 H new ATOM 0 HZ3 LYS A 114 5.320 15.012 -7.185 1.00 3.33 H new ATOM 1926 N LYS A 115 0.956 12.348 -6.924 1.00 20.13 N ATOM 1927 CA LYS A 115 0.317 13.557 -6.398 1.00 40.54 C ATOM 1928 C LYS A 115 -0.433 13.278 -5.085 1.00 71.45 C ATOM 1929 O LYS A 115 -0.289 14.013 -4.111 1.00 35.43 O ATOM 1930 CB LYS A 115 -0.633 14.134 -7.453 1.00 14.40 C ATOM 1931 CG LYS A 115 0.042 14.348 -8.806 1.00 44.13 C ATOM 1932 CD LYS A 115 -0.918 14.889 -9.860 1.00 55.51 C ATOM 1933 CE LYS A 115 -0.271 14.899 -11.241 1.00 61.22 C ATOM 1934 NZ LYS A 115 -1.142 15.529 -12.267 1.00 34.41 N ATOM 0 H LYS A 115 0.612 12.060 -7.840 1.00 20.13 H new ATOM 0 HA LYS A 115 1.095 14.287 -6.174 1.00 40.54 H new ATOM 0 HB2 LYS A 115 -1.481 13.461 -7.578 1.00 14.40 H new ATOM 0 HB3 LYS A 115 -1.030 15.084 -7.096 1.00 14.40 H new ATOM 0 HG2 LYS A 115 0.874 15.042 -8.687 1.00 44.13 H new ATOM 0 HG3 LYS A 115 0.461 13.403 -9.152 1.00 44.13 H new ATOM 0 HD2 LYS A 115 -1.820 14.277 -9.882 1.00 55.51 H new ATOM 0 HD3 LYS A 115 -1.225 15.900 -9.592 1.00 55.51 H new ATOM 0 HE2 LYS A 115 0.676 15.436 -11.192 1.00 61.22 H new ATOM 0 HE3 LYS A 115 -0.042 13.876 -11.540 1.00 61.22 H new ATOM 0 HZ1 LYS A 115 -0.660 15.513 -13.189 1.00 34.41 H new ATOM 0 HZ2 LYS A 115 -2.036 15.002 -12.334 1.00 34.41 H new ATOM 0 HZ3 LYS A 115 -1.340 16.514 -11.997 1.00 34.41 H new ATOM 1948 N SER A 116 -1.223 12.204 -5.062 1.00 22.53 N ATOM 1949 CA SER A 116 -1.976 11.826 -3.857 1.00 32.23 C ATOM 1950 C SER A 116 -1.030 11.439 -2.708 1.00 13.01 C ATOM 1951 O SER A 116 -1.243 11.834 -1.560 1.00 15.12 O ATOM 1952 CB SER A 116 -2.938 10.666 -4.159 1.00 22.21 C ATOM 1953 OG SER A 116 -3.792 10.387 -3.056 1.00 14.41 O ATOM 0 H SER A 116 -1.360 11.581 -5.858 1.00 22.53 H new ATOM 0 HA SER A 116 -2.557 12.694 -3.546 1.00 32.23 H new ATOM 0 HB2 SER A 116 -3.541 10.912 -5.033 1.00 22.21 H new ATOM 0 HB3 SER A 116 -2.364 9.774 -4.409 1.00 22.21 H new ATOM 0 HG SER A 116 -3.898 9.417 -2.961 1.00 14.41 H new ATOM 1959 N LEU A 117 0.023 10.685 -3.031 1.00 61.21 N ATOM 1960 CA LEU A 117 1.023 10.260 -2.039 1.00 21.21 C ATOM 1961 C LEU A 117 1.633 11.461 -1.301 1.00 51.31 C ATOM 1962 O LEU A 117 1.585 11.533 -0.074 1.00 63.55 O ATOM 1963 CB LEU A 117 2.136 9.446 -2.723 1.00 14.35 C ATOM 1964 CG LEU A 117 3.310 9.023 -1.817 1.00 71.11 C ATOM 1965 CD1 LEU A 117 2.833 8.108 -0.692 1.00 20.42 C ATOM 1966 CD2 LEU A 117 4.411 8.350 -2.635 1.00 53.03 C ATOM 0 H LEU A 117 0.209 10.353 -3.977 1.00 61.21 H new ATOM 0 HA LEU A 117 0.515 9.636 -1.304 1.00 21.21 H new ATOM 0 HB2 LEU A 117 1.692 8.548 -3.153 1.00 14.35 H new ATOM 0 HB3 LEU A 117 2.534 10.033 -3.551 1.00 14.35 H new ATOM 0 HG LEU A 117 3.725 9.923 -1.363 1.00 71.11 H new ATOM 0 HD11 LEU A 117 3.681 7.825 -0.069 1.00 20.42 H new ATOM 0 HD12 LEU A 117 2.095 8.632 -0.085 1.00 20.42 H new ATOM 0 HD13 LEU A 117 2.381 7.212 -1.118 1.00 20.42 H new ATOM 0 HD21 LEU A 117 5.229 8.060 -1.975 1.00 53.03 H new ATOM 0 HD22 LEU A 117 4.009 7.464 -3.126 1.00 53.03 H new ATOM 0 HD23 LEU A 117 4.781 9.045 -3.388 1.00 53.03 H new ATOM 1978 N GLU A 118 2.188 12.409 -2.055 1.00 25.24 N ATOM 1979 CA GLU A 118 2.839 13.588 -1.466 1.00 62.02 C ATOM 1980 C GLU A 118 1.861 14.421 -0.612 1.00 13.50 C ATOM 1981 O GLU A 118 2.265 15.077 0.351 1.00 74.24 O ATOM 1982 CB GLU A 118 3.478 14.444 -2.572 1.00 74.23 C ATOM 1983 CG GLU A 118 4.585 13.710 -3.330 1.00 15.53 C ATOM 1984 CD GLU A 118 5.329 14.589 -4.325 1.00 75.31 C ATOM 1985 OE1 GLU A 118 6.033 15.523 -3.891 1.00 33.44 O ATOM 1986 OE2 GLU A 118 5.246 14.329 -5.547 1.00 75.21 O ATOM 0 H GLU A 118 2.202 12.388 -3.075 1.00 25.24 H new ATOM 0 HA GLU A 118 3.623 13.239 -0.794 1.00 62.02 H new ATOM 0 HB2 GLU A 118 2.706 14.753 -3.277 1.00 74.23 H new ATOM 0 HB3 GLU A 118 3.888 15.352 -2.130 1.00 74.23 H new ATOM 0 HG2 GLU A 118 5.298 13.305 -2.612 1.00 15.53 H new ATOM 0 HG3 GLU A 118 4.150 12.863 -3.861 1.00 15.53 H new ATOM 1993 N ARG A 119 0.574 14.378 -0.955 1.00 14.42 N ATOM 1994 CA ARG A 119 -0.468 15.020 -0.140 1.00 11.24 C ATOM 1995 C ARG A 119 -0.674 14.259 1.184 1.00 14.24 C ATOM 1996 O ARG A 119 -0.796 14.863 2.252 1.00 2.14 O ATOM 1997 CB ARG A 119 -1.794 15.079 -0.915 1.00 72.23 C ATOM 1998 CG ARG A 119 -1.711 15.861 -2.223 1.00 50.02 C ATOM 1999 CD ARG A 119 -2.987 15.716 -3.051 1.00 33.31 C ATOM 2000 NE ARG A 119 -2.839 16.273 -4.396 1.00 31.43 N ATOM 2001 CZ ARG A 119 -3.496 15.853 -5.445 1.00 45.41 C ATOM 2002 NH1 ARG A 119 -4.396 14.931 -5.337 1.00 42.05 N ATOM 2003 NH2 ARG A 119 -3.270 16.380 -6.603 1.00 20.15 N ATOM 0 H ARG A 119 0.224 13.907 -1.789 1.00 14.42 H new ATOM 0 HA ARG A 119 -0.141 16.035 0.087 1.00 11.24 H new ATOM 0 HB2 ARG A 119 -2.123 14.063 -1.131 1.00 72.23 H new ATOM 0 HB3 ARG A 119 -2.555 15.532 -0.280 1.00 72.23 H new ATOM 0 HG2 ARG A 119 -1.536 16.915 -2.006 1.00 50.02 H new ATOM 0 HG3 ARG A 119 -0.858 15.509 -2.804 1.00 50.02 H new ATOM 0 HD2 ARG A 119 -3.253 14.662 -3.123 1.00 33.31 H new ATOM 0 HD3 ARG A 119 -3.809 16.218 -2.540 1.00 33.31 H new ATOM 0 HE ARG A 119 -2.179 17.040 -4.523 1.00 31.43 H new ATOM 0 HH11 ARG A 119 -4.601 14.522 -4.425 1.00 42.05 H new ATOM 0 HH12 ARG A 119 -4.901 14.612 -6.164 1.00 42.05 H new ATOM 0 HH21 ARG A 119 -2.579 17.124 -6.699 1.00 20.15 H new ATOM 0 HH22 ARG A 119 -3.783 16.052 -7.421 1.00 20.15 H new ATOM 2017 N LEU A 120 -0.704 12.929 1.095 1.00 60.35 N ATOM 2018 CA LEU A 120 -0.887 12.059 2.268 1.00 45.42 C ATOM 2019 C LEU A 120 0.325 12.101 3.211 1.00 24.23 C ATOM 2020 O LEU A 120 0.174 12.053 4.433 1.00 22.12 O ATOM 2021 CB LEU A 120 -1.140 10.617 1.808 1.00 51.24 C ATOM 2022 CG LEU A 120 -2.417 10.411 0.978 1.00 32.32 C ATOM 2023 CD1 LEU A 120 -2.458 9.007 0.384 1.00 42.11 C ATOM 2024 CD2 LEU A 120 -3.657 10.672 1.831 1.00 51.52 C ATOM 0 H LEU A 120 -0.603 12.422 0.216 1.00 60.35 H new ATOM 0 HA LEU A 120 -1.749 12.429 2.824 1.00 45.42 H new ATOM 0 HB2 LEU A 120 -0.285 10.285 1.219 1.00 51.24 H new ATOM 0 HB3 LEU A 120 -1.190 9.975 2.688 1.00 51.24 H new ATOM 0 HG LEU A 120 -2.408 11.126 0.155 1.00 32.32 H new ATOM 0 HD11 LEU A 120 -3.371 8.885 -0.199 1.00 42.11 H new ATOM 0 HD12 LEU A 120 -1.592 8.860 -0.262 1.00 42.11 H new ATOM 0 HD13 LEU A 120 -2.440 8.271 1.188 1.00 42.11 H new ATOM 0 HD21 LEU A 120 -4.552 10.522 1.227 1.00 51.52 H new ATOM 0 HD22 LEU A 120 -3.669 9.983 2.676 1.00 51.52 H new ATOM 0 HD23 LEU A 120 -3.636 11.698 2.199 1.00 51.52 H new ATOM 2036 N ILE A 121 1.527 12.194 2.639 1.00 0.21 N ATOM 2037 CA ILE A 121 2.761 12.268 3.430 1.00 71.04 C ATOM 2038 C ILE A 121 2.711 13.425 4.444 1.00 1.34 C ATOM 2039 O ILE A 121 3.192 13.296 5.567 1.00 11.54 O ATOM 2040 CB ILE A 121 4.010 12.428 2.519 1.00 71.32 C ATOM 2041 CG1 ILE A 121 4.178 11.189 1.620 1.00 52.14 C ATOM 2042 CG2 ILE A 121 5.275 12.669 3.350 1.00 61.44 C ATOM 2043 CD1 ILE A 121 5.356 11.274 0.669 1.00 35.14 C ATOM 0 H ILE A 121 1.674 12.220 1.630 1.00 0.21 H new ATOM 0 HA ILE A 121 2.842 11.328 3.975 1.00 71.04 H new ATOM 0 HB ILE A 121 3.858 13.301 1.885 1.00 71.32 H new ATOM 0 HG12 ILE A 121 4.296 10.308 2.251 1.00 52.14 H new ATOM 0 HG13 ILE A 121 3.266 11.046 1.041 1.00 52.14 H new ATOM 0 HG21 ILE A 121 6.132 12.777 2.685 1.00 61.44 H new ATOM 0 HG22 ILE A 121 5.156 13.578 3.939 1.00 61.44 H new ATOM 0 HG23 ILE A 121 5.438 11.823 4.018 1.00 61.44 H new ATOM 0 HD11 ILE A 121 5.407 10.364 0.071 1.00 35.14 H new ATOM 0 HD12 ILE A 121 5.231 12.134 0.011 1.00 35.14 H new ATOM 0 HD13 ILE A 121 6.278 11.384 1.240 1.00 35.14 H new ATOM 2055 N ARG A 122 2.107 14.546 4.048 1.00 52.53 N ATOM 2056 CA ARG A 122 1.974 15.705 4.940 1.00 13.04 C ATOM 2057 C ARG A 122 1.001 15.414 6.098 1.00 11.13 C ATOM 2058 O ARG A 122 1.106 16.004 7.176 1.00 43.12 O ATOM 2059 CB ARG A 122 1.487 16.931 4.156 1.00 54.14 C ATOM 2060 CG ARG A 122 2.336 17.268 2.935 1.00 52.32 C ATOM 2061 CD ARG A 122 1.837 18.527 2.234 1.00 54.14 C ATOM 2062 NE ARG A 122 0.405 18.462 1.937 1.00 15.05 N ATOM 2063 CZ ARG A 122 -0.200 19.212 1.060 1.00 31.31 C ATOM 2064 NH1 ARG A 122 0.463 20.079 0.363 1.00 30.22 N ATOM 2065 NH2 ARG A 122 -1.476 19.093 0.887 1.00 43.51 N ATOM 0 H ARG A 122 1.703 14.679 3.121 1.00 52.53 H new ATOM 0 HA ARG A 122 2.959 15.911 5.360 1.00 13.04 H new ATOM 0 HB2 ARG A 122 0.460 16.758 3.834 1.00 54.14 H new ATOM 0 HB3 ARG A 122 1.472 17.793 4.823 1.00 54.14 H new ATOM 0 HG2 ARG A 122 3.373 17.407 3.240 1.00 52.32 H new ATOM 0 HG3 ARG A 122 2.319 16.431 2.237 1.00 52.32 H new ATOM 0 HD2 ARG A 122 2.037 19.395 2.863 1.00 54.14 H new ATOM 0 HD3 ARG A 122 2.393 18.670 1.307 1.00 54.14 H new ATOM 0 HE ARG A 122 -0.157 17.784 2.451 1.00 15.05 H new ATOM 0 HH11 ARG A 122 1.469 20.180 0.498 1.00 30.22 H new ATOM 0 HH12 ARG A 122 -0.021 20.661 -0.321 1.00 30.22 H new ATOM 0 HH21 ARG A 122 -2.004 18.414 1.436 1.00 43.51 H new ATOM 0 HH22 ARG A 122 -1.954 19.678 0.202 1.00 43.51 H new ATOM 2079 N GLU A 123 0.053 14.508 5.864 1.00 13.33 N ATOM 2080 CA GLU A 123 -0.950 14.147 6.872 1.00 53.51 C ATOM 2081 C GLU A 123 -0.388 13.139 7.886 1.00 10.41 C ATOM 2082 O GLU A 123 -0.389 13.389 9.092 1.00 43.31 O ATOM 2083 CB GLU A 123 -2.194 13.558 6.189 1.00 34.44 C ATOM 2084 CG GLU A 123 -2.822 14.481 5.149 1.00 0.32 C ATOM 2085 CD GLU A 123 -3.238 15.826 5.729 1.00 34.01 C ATOM 2086 OE1 GLU A 123 -4.316 15.898 6.357 1.00 20.13 O ATOM 2087 OE2 GLU A 123 -2.488 16.812 5.559 1.00 33.04 O ATOM 0 H GLU A 123 -0.044 14.007 4.981 1.00 13.33 H new ATOM 0 HA GLU A 123 -1.224 15.054 7.411 1.00 53.51 H new ATOM 0 HB2 GLU A 123 -1.922 12.618 5.709 1.00 34.44 H new ATOM 0 HB3 GLU A 123 -2.938 13.324 6.950 1.00 34.44 H new ATOM 0 HG2 GLU A 123 -2.112 14.644 4.338 1.00 0.32 H new ATOM 0 HG3 GLU A 123 -3.694 13.992 4.715 1.00 0.32 H new ATOM 2094 N VAL A 124 0.093 12.000 7.387 1.00 1.44 N ATOM 2095 CA VAL A 124 0.674 10.965 8.251 1.00 62.42 C ATOM 2096 C VAL A 124 2.046 11.404 8.801 1.00 13.51 C ATOM 2097 O VAL A 124 2.438 11.034 9.910 1.00 73.24 O ATOM 2098 CB VAL A 124 0.808 9.610 7.500 1.00 44.03 C ATOM 2099 CG1 VAL A 124 1.677 9.755 6.251 1.00 50.25 C ATOM 2100 CG2 VAL A 124 1.359 8.518 8.421 1.00 32.40 C ATOM 0 H VAL A 124 0.093 11.769 6.394 1.00 1.44 H new ATOM 0 HA VAL A 124 -0.007 10.826 9.090 1.00 62.42 H new ATOM 0 HB VAL A 124 -0.191 9.310 7.183 1.00 44.03 H new ATOM 0 HG11 VAL A 124 1.753 8.792 5.747 1.00 50.25 H new ATOM 0 HG12 VAL A 124 1.226 10.483 5.577 1.00 50.25 H new ATOM 0 HG13 VAL A 124 2.673 10.094 6.538 1.00 50.25 H new ATOM 0 HG21 VAL A 124 1.441 7.583 7.868 1.00 32.40 H new ATOM 0 HG22 VAL A 124 2.343 8.812 8.785 1.00 32.40 H new ATOM 0 HG23 VAL A 124 0.685 8.381 9.267 1.00 32.40 H new ATOM 2110 N GLY A 125 2.760 12.213 8.024 1.00 4.31 N ATOM 2111 CA GLY A 125 4.052 12.730 8.456 1.00 71.12 C ATOM 2112 C GLY A 125 3.932 14.009 9.274 1.00 75.41 C ATOM 2113 O GLY A 125 4.415 15.069 8.869 1.00 51.11 O ATOM 0 H GLY A 125 2.467 12.523 7.097 1.00 4.31 H new ATOM 0 HA2 GLY A 125 4.562 11.971 9.049 1.00 71.12 H new ATOM 0 HA3 GLY A 125 4.673 12.921 7.581 1.00 71.12 H new ATOM 2117 N SER A 126 3.282 13.910 10.429 1.00 14.44 N ATOM 2118 CA SER A 126 3.076 15.068 11.309 1.00 1.34 C ATOM 2119 C SER A 126 4.141 15.136 12.408 1.00 71.30 C ATOM 2120 O SER A 126 4.513 14.117 12.995 1.00 73.20 O ATOM 2121 CB SER A 126 1.677 15.017 11.940 1.00 20.34 C ATOM 2122 OG SER A 126 0.661 15.157 10.955 1.00 52.34 O ATOM 0 H SER A 126 2.886 13.039 10.783 1.00 14.44 H new ATOM 0 HA SER A 126 3.163 15.966 10.697 1.00 1.34 H new ATOM 0 HB2 SER A 126 1.548 14.072 12.467 1.00 20.34 H new ATOM 0 HB3 SER A 126 1.580 15.811 12.681 1.00 20.34 H new ATOM 0 HG SER A 126 0.567 14.316 10.460 1.00 52.34 H new ATOM 2128 N LEU A 127 4.610 16.353 12.695 1.00 3.03 N ATOM 2129 CA LEU A 127 5.637 16.592 13.723 1.00 71.03 C ATOM 2130 C LEU A 127 5.253 15.971 15.079 1.00 23.42 C ATOM 2131 O LEU A 127 6.117 15.657 15.899 1.00 11.53 O ATOM 2132 CB LEU A 127 5.881 18.105 13.899 1.00 54.10 C ATOM 2133 CG LEU A 127 4.762 18.902 14.608 1.00 32.41 C ATOM 2134 CD1 LEU A 127 5.180 20.354 14.802 1.00 34.24 C ATOM 2135 CD2 LEU A 127 3.441 18.831 13.839 1.00 41.14 C ATOM 0 H LEU A 127 4.292 17.201 12.225 1.00 3.03 H new ATOM 0 HA LEU A 127 6.552 16.110 13.379 1.00 71.03 H new ATOM 0 HB2 LEU A 127 6.805 18.239 14.461 1.00 54.10 H new ATOM 0 HB3 LEU A 127 6.041 18.543 12.914 1.00 54.10 H new ATOM 0 HG LEU A 127 4.604 18.444 15.584 1.00 32.41 H new ATOM 0 HD11 LEU A 127 4.380 20.899 15.302 1.00 34.24 H new ATOM 0 HD12 LEU A 127 6.083 20.394 15.411 1.00 34.24 H new ATOM 0 HD13 LEU A 127 5.377 20.809 13.831 1.00 34.24 H new ATOM 0 HD21 LEU A 127 2.680 19.403 14.369 1.00 41.14 H new ATOM 0 HD22 LEU A 127 3.578 19.247 12.841 1.00 41.14 H new ATOM 0 HD23 LEU A 127 3.123 17.792 13.758 1.00 41.14 H new ATOM 2147 N GLU A 128 3.952 15.805 15.301 1.00 63.12 N ATOM 2148 CA GLU A 128 3.434 15.189 16.525 1.00 42.13 C ATOM 2149 C GLU A 128 4.007 13.782 16.758 1.00 62.12 C ATOM 2150 O GLU A 128 4.385 13.438 17.877 1.00 41.12 O ATOM 2151 CB GLU A 128 1.902 15.105 16.456 1.00 24.11 C ATOM 2152 CG GLU A 128 1.197 16.449 16.604 1.00 21.11 C ATOM 2153 CD GLU A 128 1.352 17.032 17.998 1.00 30.30 C ATOM 2154 OE1 GLU A 128 0.688 16.529 18.931 1.00 41.22 O ATOM 2155 OE2 GLU A 128 2.142 17.981 18.174 1.00 22.15 O ATOM 0 H GLU A 128 3.228 16.091 14.642 1.00 63.12 H new ATOM 0 HA GLU A 128 3.744 15.818 17.359 1.00 42.13 H new ATOM 0 HB2 GLU A 128 1.616 14.660 15.503 1.00 24.11 H new ATOM 0 HB3 GLU A 128 1.550 14.434 17.240 1.00 24.11 H new ATOM 0 HG2 GLU A 128 1.599 17.150 15.873 1.00 21.11 H new ATOM 0 HG3 GLU A 128 0.137 16.327 16.379 1.00 21.11 H new ATOM 2162 N HIS A 129 4.040 12.965 15.700 1.00 43.24 N ATOM 2163 CA HIS A 129 4.455 11.551 15.800 1.00 1.20 C ATOM 2164 C HIS A 129 3.573 10.753 16.784 1.00 3.33 C ATOM 2165 O HIS A 129 3.817 9.572 17.029 1.00 1.00 O ATOM 2166 CB HIS A 129 5.926 11.442 16.233 1.00 44.52 C ATOM 2167 CG HIS A 129 6.888 12.123 15.308 1.00 12.00 C ATOM 2168 ND1 HIS A 129 7.468 13.336 15.592 1.00 73.13 N ATOM 2169 CD2 HIS A 129 7.379 11.749 14.103 1.00 2.32 C ATOM 2170 CE1 HIS A 129 8.272 13.680 14.608 1.00 0.21 C ATOM 2171 NE2 HIS A 129 8.238 12.735 13.693 1.00 61.11 N ATOM 0 H HIS A 129 3.784 13.256 14.757 1.00 43.24 H new ATOM 0 HA HIS A 129 4.333 11.120 14.806 1.00 1.20 H new ATOM 0 HB2 HIS A 129 6.033 11.870 17.230 1.00 44.52 H new ATOM 0 HB3 HIS A 129 6.194 10.388 16.308 1.00 44.52 H new ATOM 0 HD1 HIS A 129 7.301 13.885 16.435 1.00 73.13 H new ATOM 0 HD2 HIS A 129 7.139 10.843 13.566 1.00 2.32 H new ATOM 0 HE1 HIS A 129 8.860 14.585 14.560 1.00 0.21 H new ATOM 2180 N HIS A 130 2.538 11.392 17.327 1.00 22.12 N ATOM 2181 CA HIS A 130 1.701 10.774 18.355 1.00 31.42 C ATOM 2182 C HIS A 130 0.628 9.872 17.741 1.00 50.51 C ATOM 2183 O HIS A 130 -0.494 10.308 17.479 1.00 52.31 O ATOM 2184 CB HIS A 130 1.048 11.849 19.234 1.00 63.14 C ATOM 2185 CG HIS A 130 2.036 12.761 19.894 1.00 31.11 C ATOM 2186 ND1 HIS A 130 1.950 14.138 19.840 1.00 61.02 N ATOM 2187 CD2 HIS A 130 3.138 12.486 20.630 1.00 40.05 C ATOM 2188 CE1 HIS A 130 2.956 14.665 20.508 1.00 11.43 C ATOM 2189 NE2 HIS A 130 3.688 13.687 20.997 1.00 24.43 N ATOM 0 H HIS A 130 2.258 12.339 17.072 1.00 22.12 H new ATOM 0 HA HIS A 130 2.347 10.152 18.974 1.00 31.42 H new ATOM 0 HB2 HIS A 130 0.368 12.443 18.623 1.00 63.14 H new ATOM 0 HB3 HIS A 130 0.445 11.363 20.001 1.00 63.14 H new ATOM 0 HD1 HIS A 130 1.222 14.665 19.358 1.00 61.02 H new ATOM 0 HD2 HIS A 130 3.513 11.505 20.881 1.00 40.05 H new ATOM 0 HE1 HIS A 130 3.147 15.721 20.633 1.00 11.43 H new ATOM 2198 N HIS A 131 0.994 8.623 17.479 1.00 34.03 N ATOM 2199 CA HIS A 131 0.047 7.620 16.996 1.00 50.45 C ATOM 2200 C HIS A 131 0.009 6.435 17.972 1.00 24.25 C ATOM 2201 O HIS A 131 1.030 6.099 18.572 1.00 13.23 O ATOM 2202 CB HIS A 131 0.431 7.161 15.584 1.00 53.31 C ATOM 2203 CG HIS A 131 -0.655 6.400 14.888 1.00 40.41 C ATOM 2204 ND1 HIS A 131 -1.939 6.877 14.770 1.00 2.55 N ATOM 2205 CD2 HIS A 131 -0.650 5.194 14.270 1.00 40.52 C ATOM 2206 CE1 HIS A 131 -2.674 6.007 14.120 1.00 54.51 C ATOM 2207 NE2 HIS A 131 -1.921 4.975 13.799 1.00 31.13 N ATOM 0 H HIS A 131 1.947 8.277 17.593 1.00 34.03 H new ATOM 0 HA HIS A 131 -0.949 8.059 16.944 1.00 50.45 H new ATOM 0 HB2 HIS A 131 0.693 8.033 14.986 1.00 53.31 H new ATOM 0 HB3 HIS A 131 1.322 6.535 15.643 1.00 53.31 H new ATOM 0 HD2 HIS A 131 0.195 4.530 14.167 1.00 40.52 H new ATOM 0 HE1 HIS A 131 -3.723 6.118 13.887 1.00 54.51 H new ATOM 0 HE2 HIS A 131 -2.231 4.150 13.286 1.00 31.13 H new ATOM 2216 N HIS A 132 -1.162 5.805 18.123 1.00 64.30 N ATOM 2217 CA HIS A 132 -1.380 4.804 19.182 1.00 11.24 C ATOM 2218 C HIS A 132 -1.361 5.503 20.554 1.00 40.13 C ATOM 2219 O HIS A 132 -0.391 5.417 21.311 1.00 43.13 O ATOM 2220 CB HIS A 132 -0.330 3.674 19.110 1.00 1.44 C ATOM 2221 CG HIS A 132 -0.475 2.618 20.167 1.00 30.42 C ATOM 2222 ND1 HIS A 132 0.102 2.718 21.416 1.00 61.24 N ATOM 2223 CD2 HIS A 132 -1.120 1.427 20.153 1.00 41.23 C ATOM 2224 CE1 HIS A 132 -0.178 1.641 22.117 1.00 2.15 C ATOM 2225 NE2 HIS A 132 -0.918 0.844 21.378 1.00 61.34 N ATOM 0 H HIS A 132 -1.974 5.968 17.528 1.00 64.30 H new ATOM 0 HA HIS A 132 -2.355 4.338 19.036 1.00 11.24 H new ATOM 0 HB2 HIS A 132 -0.392 3.200 18.130 1.00 1.44 H new ATOM 0 HB3 HIS A 132 0.664 4.114 19.189 1.00 1.44 H new ATOM 0 HD1 HIS A 132 0.660 3.506 21.745 1.00 61.24 H new ATOM 0 HD2 HIS A 132 -1.687 1.014 19.332 1.00 41.23 H new ATOM 0 HE1 HIS A 132 0.145 1.444 23.129 1.00 2.15 H new ATOM 2234 N HIS A 133 -2.440 6.229 20.842 1.00 12.42 N ATOM 2235 CA HIS A 133 -2.513 7.110 22.012 1.00 30.14 C ATOM 2236 C HIS A 133 -3.355 6.499 23.145 1.00 10.03 C ATOM 2237 O HIS A 133 -4.440 5.961 22.911 1.00 1.51 O ATOM 2238 CB HIS A 133 -3.109 8.461 21.583 1.00 74.11 C ATOM 2239 CG HIS A 133 -3.168 9.490 22.675 1.00 32.10 C ATOM 2240 ND1 HIS A 133 -4.220 9.587 23.561 1.00 65.41 N ATOM 2241 CD2 HIS A 133 -2.308 10.482 23.013 1.00 20.50 C ATOM 2242 CE1 HIS A 133 -4.007 10.589 24.391 1.00 20.51 C ATOM 2243 NE2 HIS A 133 -2.854 11.146 24.081 1.00 75.43 N ATOM 0 H HIS A 133 -3.287 6.225 20.274 1.00 12.42 H new ATOM 0 HA HIS A 133 -1.504 7.246 22.400 1.00 30.14 H new ATOM 0 HB2 HIS A 133 -2.518 8.859 20.758 1.00 74.11 H new ATOM 0 HB3 HIS A 133 -4.117 8.295 21.203 1.00 74.11 H new ATOM 0 HD2 HIS A 133 -1.368 10.707 22.531 1.00 20.50 H new ATOM 0 HE1 HIS A 133 -4.665 10.900 25.189 1.00 20.51 H new ATOM 0 HE2 HIS A 133 -2.435 11.944 24.559 1.00 75.43 H new ATOM 2252 N HIS A 134 -2.841 6.581 24.371 1.00 5.20 N ATOM 2253 CA HIS A 134 -3.593 6.162 25.562 1.00 23.31 C ATOM 2254 C HIS A 134 -4.260 7.368 26.253 1.00 4.32 C ATOM 2255 O HIS A 134 -3.561 8.109 26.982 1.00 37.93 O ATOM 2256 CB HIS A 134 -2.676 5.431 26.553 1.00 13.44 C ATOM 2257 CG HIS A 134 -2.218 4.085 26.080 1.00 20.21 C ATOM 2258 ND1 HIS A 134 -0.892 3.719 25.995 1.00 71.53 N ATOM 2259 CD2 HIS A 134 -2.926 2.995 25.698 1.00 63.42 C ATOM 2260 CE1 HIS A 134 -0.806 2.471 25.584 1.00 61.03 C ATOM 2261 NE2 HIS A 134 -2.023 2.007 25.398 1.00 11.25 N ATOM 2262 OXT HIS A 134 -5.480 7.565 26.068 1.00 37.93 O ATOM 0 H HIS A 134 -1.905 6.934 24.570 1.00 5.20 H new ATOM 0 HA HIS A 134 -4.376 5.478 25.234 1.00 23.31 H new ATOM 0 HB2 HIS A 134 -1.802 6.052 26.750 1.00 13.44 H new ATOM 0 HB3 HIS A 134 -3.203 5.312 27.500 1.00 13.44 H new ATOM 0 HD2 HIS A 134 -4.002 2.918 25.640 1.00 63.42 H new ATOM 0 HE1 HIS A 134 0.110 1.921 25.426 1.00 61.03 H new ATOM 0 HE2 HIS A 134 -2.257 1.066 25.082 1.00 11.25 H new TER 2271 HIS A 134