USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 800 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 70 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.081) USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 63 GLN : amide:sc= 0.361 X(o=-0.3,f=-0.73) USER MOD Set 3.2: A 64 ASN : amide:sc= 0 K(o=-0.3,f=-1.3) USER MOD Set 3.3: A 67 ASN : amide:sc= -0.664 X(o=-0.3,f=-0.73) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.374 X(o=-0.35,f=-0.4) USER MOD Set 4.2: A 33 THR OG1 : rot 160:sc= 0.0225 USER MOD Set 5.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 13 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.8!) USER MOD Single : A 9 SER OG : rot -64:sc= 1.02 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 74:sc= 0.757 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0247) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.0337 X(o=0.034,f=0) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.867 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.208 USER MOD Single : A 37 SER OG : rot 32:sc= 0.856 USER MOD Single : A 38 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.087) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0508 (180deg=-0.387) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -111:sc= -1.63 (180deg=-3.76) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.94 (180deg=0.91) USER MOD Single : A 50 ASN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0.516 (180deg=0.468) USER MOD Single : A 59 ASN : amide:sc= -0.869 K(o=-0.87,f=-4.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.175 K(o=0.18,f=-0.7) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 0.936 (180deg=0.418) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= -0.0121 (180deg=-0.0877) USER MOD Single : A 85 SER OG : rot -157:sc= 0.442 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 69:sc= 0.754 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.396 F(o=-1.1,f=-0.4) USER MOD Single : A 100 LYS NZ :NH3+ 155:sc= 0.563 (180deg=0.227) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 2.371 10.516 0.895 1.00 22.22 N ATOM 28 CA LYS A 3 1.441 9.881 1.837 1.00 62.51 C ATOM 29 C LYS A 3 0.958 8.561 1.219 1.00 14.11 C ATOM 30 O LYS A 3 0.485 8.548 0.068 1.00 13.22 O ATOM 31 CB LYS A 3 0.255 10.836 2.146 1.00 1.13 C ATOM 32 CG LYS A 3 -0.744 10.295 3.196 1.00 44.10 C ATOM 33 CD LYS A 3 -1.871 11.304 3.527 1.00 50.01 C ATOM 34 CE LYS A 3 -2.957 10.719 4.448 1.00 14.45 C ATOM 35 NZ LYS A 3 -3.982 11.738 4.820 1.00 55.35 N ATOM 0 HA LYS A 3 1.939 9.671 2.784 1.00 62.51 H new ATOM 0 HB2 LYS A 3 0.653 11.788 2.498 1.00 1.13 H new ATOM 0 HB3 LYS A 3 -0.284 11.038 1.220 1.00 1.13 H new ATOM 0 HG2 LYS A 3 -1.187 9.370 2.826 1.00 44.10 H new ATOM 0 HG3 LYS A 3 -0.205 10.047 4.110 1.00 44.10 H new ATOM 0 HD2 LYS A 3 -1.435 12.183 4.002 1.00 50.01 H new ATOM 0 HD3 LYS A 3 -2.333 11.640 2.599 1.00 50.01 H new ATOM 0 HE2 LYS A 3 -3.443 9.881 3.949 1.00 14.45 H new ATOM 0 HE3 LYS A 3 -2.492 10.325 5.352 1.00 14.45 H new ATOM 0 HZ1 LYS A 3 -4.695 11.303 5.440 1.00 55.35 H new ATOM 0 HZ2 LYS A 3 -3.523 12.526 5.319 1.00 55.35 H new ATOM 0 HZ3 LYS A 3 -4.444 12.096 3.960 1.00 55.35 H new ATOM 49 N VAL A 4 1.097 7.449 1.972 1.00 31.24 N ATOM 50 CA VAL A 4 0.861 6.093 1.441 1.00 11.24 C ATOM 51 C VAL A 4 0.075 5.209 2.436 1.00 21.43 C ATOM 52 O VAL A 4 0.233 5.333 3.652 1.00 23.00 O ATOM 53 CB VAL A 4 2.215 5.404 1.041 1.00 5.32 C ATOM 54 CG1 VAL A 4 3.126 5.156 2.252 1.00 70.53 C ATOM 55 CG2 VAL A 4 1.976 4.109 0.247 1.00 14.35 C ATOM 0 H VAL A 4 1.373 7.466 2.954 1.00 31.24 H new ATOM 0 HA VAL A 4 0.248 6.202 0.546 1.00 11.24 H new ATOM 0 HB VAL A 4 2.739 6.103 0.389 1.00 5.32 H new ATOM 0 HG11 VAL A 4 4.048 4.678 1.922 1.00 70.53 H new ATOM 0 HG12 VAL A 4 3.361 6.106 2.731 1.00 70.53 H new ATOM 0 HG13 VAL A 4 2.616 4.507 2.964 1.00 70.53 H new ATOM 0 HG21 VAL A 4 2.934 3.659 -0.013 1.00 14.35 H new ATOM 0 HG22 VAL A 4 1.400 3.411 0.855 1.00 14.35 H new ATOM 0 HG23 VAL A 4 1.424 4.338 -0.664 1.00 14.35 H new ATOM 65 N LEU A 5 -0.795 4.341 1.886 1.00 45.45 N ATOM 66 CA LEU A 5 -1.565 3.355 2.651 1.00 35.43 C ATOM 67 C LEU A 5 -0.964 1.961 2.425 1.00 5.42 C ATOM 68 O LEU A 5 -1.163 1.350 1.368 1.00 53.30 O ATOM 69 CB LEU A 5 -3.056 3.373 2.225 1.00 24.32 C ATOM 70 CG LEU A 5 -4.011 2.426 3.027 1.00 1.21 C ATOM 71 CD1 LEU A 5 -4.010 2.773 4.528 1.00 42.00 C ATOM 72 CD2 LEU A 5 -5.442 2.440 2.441 1.00 35.11 C ATOM 0 H LEU A 5 -0.982 4.308 0.884 1.00 45.45 H new ATOM 0 HA LEU A 5 -1.515 3.607 3.710 1.00 35.43 H new ATOM 0 HB2 LEU A 5 -3.427 4.394 2.317 1.00 24.32 H new ATOM 0 HB3 LEU A 5 -3.115 3.107 1.170 1.00 24.32 H new ATOM 0 HG LEU A 5 -3.630 1.410 2.926 1.00 1.21 H new ATOM 0 HD11 LEU A 5 -4.682 2.098 5.058 1.00 42.00 H new ATOM 0 HD12 LEU A 5 -3.001 2.666 4.926 1.00 42.00 H new ATOM 0 HD13 LEU A 5 -4.346 3.801 4.664 1.00 42.00 H new ATOM 0 HD21 LEU A 5 -6.079 1.772 3.021 1.00 35.11 H new ATOM 0 HD22 LEU A 5 -5.843 3.453 2.484 1.00 35.11 H new ATOM 0 HD23 LEU A 5 -5.414 2.105 1.404 1.00 35.11 H new ATOM 84 N LEU A 6 -0.190 1.500 3.403 1.00 61.02 N ATOM 85 CA LEU A 6 0.379 0.155 3.422 1.00 13.34 C ATOM 86 C LEU A 6 -0.719 -0.866 3.803 1.00 5.02 C ATOM 87 O LEU A 6 -0.962 -1.123 4.983 1.00 40.25 O ATOM 88 CB LEU A 6 1.553 0.123 4.438 1.00 32.44 C ATOM 89 CG LEU A 6 2.352 -1.213 4.547 1.00 40.42 C ATOM 90 CD1 LEU A 6 3.041 -1.559 3.214 1.00 60.31 C ATOM 91 CD2 LEU A 6 3.363 -1.157 5.714 1.00 24.20 C ATOM 0 H LEU A 6 0.064 2.059 4.218 1.00 61.02 H new ATOM 0 HA LEU A 6 0.760 -0.112 2.436 1.00 13.34 H new ATOM 0 HB2 LEU A 6 2.252 0.917 4.175 1.00 32.44 H new ATOM 0 HB3 LEU A 6 1.156 0.363 5.424 1.00 32.44 H new ATOM 0 HG LEU A 6 1.645 -2.014 4.763 1.00 40.42 H new ATOM 0 HD11 LEU A 6 3.590 -2.495 3.320 1.00 60.31 H new ATOM 0 HD12 LEU A 6 2.289 -1.666 2.433 1.00 60.31 H new ATOM 0 HD13 LEU A 6 3.733 -0.761 2.944 1.00 60.31 H new ATOM 0 HD21 LEU A 6 3.907 -2.100 5.769 1.00 24.20 H new ATOM 0 HD22 LEU A 6 4.066 -0.341 5.547 1.00 24.20 H new ATOM 0 HD23 LEU A 6 2.830 -0.991 6.650 1.00 24.20 H new ATOM 103 N VAL A 7 -1.395 -1.410 2.782 1.00 4.34 N ATOM 104 CA VAL A 7 -2.418 -2.457 2.947 1.00 33.15 C ATOM 105 C VAL A 7 -1.725 -3.821 3.108 1.00 3.22 C ATOM 106 O VAL A 7 -1.198 -4.380 2.131 1.00 64.32 O ATOM 107 CB VAL A 7 -3.409 -2.505 1.721 1.00 11.41 C ATOM 108 CG1 VAL A 7 -4.497 -3.599 1.901 1.00 11.53 C ATOM 109 CG2 VAL A 7 -4.047 -1.120 1.470 1.00 13.55 C ATOM 0 H VAL A 7 -1.248 -1.135 1.811 1.00 4.34 H new ATOM 0 HA VAL A 7 -3.003 -2.223 3.836 1.00 33.15 H new ATOM 0 HB VAL A 7 -2.825 -2.773 0.841 1.00 11.41 H new ATOM 0 HG11 VAL A 7 -5.159 -3.599 1.035 1.00 11.53 H new ATOM 0 HG12 VAL A 7 -4.020 -4.575 1.993 1.00 11.53 H new ATOM 0 HG13 VAL A 7 -5.076 -3.392 2.801 1.00 11.53 H new ATOM 0 HG21 VAL A 7 -4.726 -1.181 0.619 1.00 13.55 H new ATOM 0 HG22 VAL A 7 -4.602 -0.809 2.355 1.00 13.55 H new ATOM 0 HG23 VAL A 7 -3.264 -0.392 1.258 1.00 13.55 H new ATOM 119 N ILE A 8 -1.682 -4.319 4.354 1.00 72.10 N ATOM 120 CA ILE A 8 -1.129 -5.638 4.671 1.00 21.34 C ATOM 121 C ILE A 8 -2.279 -6.632 4.870 1.00 63.41 C ATOM 122 O ILE A 8 -3.103 -6.476 5.789 1.00 4.14 O ATOM 123 CB ILE A 8 -0.218 -5.611 5.955 1.00 64.02 C ATOM 124 CG1 ILE A 8 0.838 -4.463 5.860 1.00 24.40 C ATOM 125 CG2 ILE A 8 0.475 -6.989 6.163 1.00 24.34 C ATOM 126 CD1 ILE A 8 1.768 -4.352 7.054 1.00 73.24 C ATOM 0 H ILE A 8 -2.031 -3.815 5.169 1.00 72.10 H new ATOM 0 HA ILE A 8 -0.500 -5.946 3.836 1.00 21.34 H new ATOM 0 HB ILE A 8 -0.850 -5.415 6.821 1.00 64.02 H new ATOM 0 HG12 ILE A 8 1.438 -4.614 4.963 1.00 24.40 H new ATOM 0 HG13 ILE A 8 0.314 -3.515 5.737 1.00 24.40 H new ATOM 0 HG21 ILE A 8 1.100 -6.951 7.055 1.00 24.34 H new ATOM 0 HG22 ILE A 8 -0.283 -7.763 6.284 1.00 24.34 H new ATOM 0 HG23 ILE A 8 1.094 -7.220 5.296 1.00 24.34 H new ATOM 0 HD11 ILE A 8 2.465 -3.528 6.897 1.00 73.24 H new ATOM 0 HD12 ILE A 8 1.183 -4.166 7.955 1.00 73.24 H new ATOM 0 HD13 ILE A 8 2.325 -5.282 7.169 1.00 73.24 H new ATOM 138 N SER A 9 -2.345 -7.630 3.980 1.00 43.03 N ATOM 139 CA SER A 9 -3.304 -8.731 4.067 1.00 42.04 C ATOM 140 C SER A 9 -2.556 -10.054 3.862 1.00 64.25 C ATOM 141 O SER A 9 -1.637 -10.131 3.034 1.00 22.14 O ATOM 142 CB SER A 9 -4.411 -8.566 3.001 1.00 20.11 C ATOM 143 OG SER A 9 -4.942 -7.252 2.989 1.00 21.04 O ATOM 0 H SER A 9 -1.726 -7.694 3.172 1.00 43.03 H new ATOM 0 HA SER A 9 -3.779 -8.727 5.048 1.00 42.04 H new ATOM 0 HB2 SER A 9 -4.006 -8.803 2.017 1.00 20.11 H new ATOM 0 HB3 SER A 9 -5.212 -9.279 3.196 1.00 20.11 H new ATOM 0 HG SER A 9 -5.380 -7.068 3.846 1.00 21.04 H new ATOM 149 N THR A 10 -2.929 -11.071 4.646 1.00 4.34 N ATOM 150 CA THR A 10 -2.415 -12.433 4.491 1.00 31.34 C ATOM 151 C THR A 10 -2.913 -13.038 3.158 1.00 13.34 C ATOM 152 O THR A 10 -2.117 -13.546 2.353 1.00 71.42 O ATOM 153 CB THR A 10 -2.881 -13.318 5.690 1.00 70.01 C ATOM 154 OG1 THR A 10 -2.549 -12.656 6.927 1.00 51.14 O ATOM 155 CG2 THR A 10 -2.246 -14.722 5.662 1.00 1.31 C ATOM 0 H THR A 10 -3.599 -10.971 5.409 1.00 4.34 H new ATOM 0 HA THR A 10 -1.326 -12.402 4.478 1.00 31.34 H new ATOM 0 HB THR A 10 -3.960 -13.450 5.608 1.00 70.01 H new ATOM 0 HG1 THR A 10 -2.842 -13.208 7.682 1.00 51.14 H new ATOM 0 HG21 THR A 10 -2.601 -15.299 6.516 1.00 1.31 H new ATOM 0 HG22 THR A 10 -2.526 -15.230 4.739 1.00 1.31 H new ATOM 0 HG23 THR A 10 -1.161 -14.632 5.711 1.00 1.31 H new ATOM 163 N ASP A 11 -4.241 -12.946 2.949 1.00 2.41 N ATOM 164 CA ASP A 11 -4.930 -13.490 1.764 1.00 2.53 C ATOM 165 C ASP A 11 -4.620 -12.642 0.525 1.00 53.40 C ATOM 166 O ASP A 11 -5.137 -11.526 0.391 1.00 62.11 O ATOM 167 CB ASP A 11 -6.461 -13.508 1.983 1.00 13.14 C ATOM 168 CG ASP A 11 -6.913 -14.356 3.174 1.00 11.40 C ATOM 169 OD1 ASP A 11 -6.720 -13.920 4.324 1.00 55.42 O ATOM 170 OD2 ASP A 11 -7.492 -15.444 2.963 1.00 4.24 O ATOM 0 H ASP A 11 -4.872 -12.487 3.606 1.00 2.41 H new ATOM 0 HA ASP A 11 -4.572 -14.508 1.611 1.00 2.53 H new ATOM 0 HB2 ASP A 11 -6.808 -12.485 2.127 1.00 13.14 H new ATOM 0 HB3 ASP A 11 -6.942 -13.884 1.080 1.00 13.14 H new ATOM 175 N THR A 12 -3.780 -13.176 -0.373 1.00 51.55 N ATOM 176 CA THR A 12 -3.450 -12.524 -1.656 1.00 73.15 C ATOM 177 C THR A 12 -4.654 -12.522 -2.624 1.00 45.14 C ATOM 178 O THR A 12 -4.699 -11.720 -3.564 1.00 74.42 O ATOM 179 CB THR A 12 -2.212 -13.201 -2.328 1.00 52.12 C ATOM 180 OG1 THR A 12 -2.465 -14.609 -2.518 1.00 73.53 O ATOM 181 CG2 THR A 12 -0.943 -13.019 -1.475 1.00 53.10 C ATOM 0 H THR A 12 -3.309 -14.070 -0.234 1.00 51.55 H new ATOM 0 HA THR A 12 -3.200 -11.487 -1.433 1.00 73.15 H new ATOM 0 HB THR A 12 -2.050 -12.721 -3.293 1.00 52.12 H new ATOM 0 HG1 THR A 12 -1.686 -15.027 -2.941 1.00 73.53 H new ATOM 0 HG21 THR A 12 -0.100 -13.501 -1.970 1.00 53.10 H new ATOM 0 HG22 THR A 12 -0.734 -11.956 -1.356 1.00 53.10 H new ATOM 0 HG23 THR A 12 -1.095 -13.471 -0.495 1.00 53.10 H new ATOM 189 N ASN A 13 -5.619 -13.434 -2.373 1.00 1.25 N ATOM 190 CA ASN A 13 -6.916 -13.477 -3.079 1.00 73.40 C ATOM 191 C ASN A 13 -7.707 -12.187 -2.801 1.00 3.33 C ATOM 192 O ASN A 13 -8.246 -11.562 -3.717 1.00 15.24 O ATOM 193 CB ASN A 13 -7.750 -14.722 -2.639 1.00 23.51 C ATOM 194 CG ASN A 13 -7.123 -16.069 -3.022 1.00 22.11 C ATOM 195 OD1 ASN A 13 -5.904 -16.212 -3.120 1.00 22.23 O ATOM 196 ND2 ASN A 13 -7.957 -17.076 -3.231 1.00 11.22 N ATOM 0 H ASN A 13 -5.518 -14.166 -1.670 1.00 1.25 H new ATOM 0 HA ASN A 13 -6.722 -13.557 -4.149 1.00 73.40 H new ATOM 0 HB2 ASN A 13 -7.884 -14.691 -1.558 1.00 23.51 H new ATOM 0 HB3 ASN A 13 -8.742 -14.656 -3.085 1.00 23.51 H new ATOM 0 HD21 ASN A 13 -7.594 -17.996 -3.479 1.00 11.22 H new ATOM 0 HD22 ASN A 13 -8.963 -16.932 -3.144 1.00 11.22 H new ATOM 203 N ILE A 14 -7.735 -11.791 -1.511 1.00 33.15 N ATOM 204 CA ILE A 14 -8.418 -10.571 -1.051 1.00 4.44 C ATOM 205 C ILE A 14 -7.697 -9.323 -1.601 1.00 22.15 C ATOM 206 O ILE A 14 -8.348 -8.406 -2.095 1.00 43.00 O ATOM 207 CB ILE A 14 -8.509 -10.527 0.522 1.00 51.44 C ATOM 208 CG1 ILE A 14 -9.369 -11.725 1.066 1.00 42.53 C ATOM 209 CG2 ILE A 14 -9.046 -9.170 1.036 1.00 24.11 C ATOM 210 CD1 ILE A 14 -10.773 -11.852 0.490 1.00 4.50 C ATOM 0 H ILE A 14 -7.282 -12.312 -0.760 1.00 33.15 H new ATOM 0 HA ILE A 14 -9.438 -10.580 -1.435 1.00 4.44 H new ATOM 0 HB ILE A 14 -7.496 -10.632 0.909 1.00 51.44 H new ATOM 0 HG12 ILE A 14 -8.831 -12.652 0.868 1.00 42.53 H new ATOM 0 HG13 ILE A 14 -9.449 -11.627 2.149 1.00 42.53 H new ATOM 0 HG21 ILE A 14 -9.092 -9.186 2.125 1.00 24.11 H new ATOM 0 HG22 ILE A 14 -8.381 -8.369 0.712 1.00 24.11 H new ATOM 0 HG23 ILE A 14 -10.044 -8.998 0.634 1.00 24.11 H new ATOM 0 HD11 ILE A 14 -11.273 -12.711 0.937 1.00 4.50 H new ATOM 0 HD12 ILE A 14 -11.340 -10.947 0.710 1.00 4.50 H new ATOM 0 HD13 ILE A 14 -10.712 -11.988 -0.590 1.00 4.50 H new ATOM 222 N ILE A 15 -6.347 -9.339 -1.537 1.00 71.33 N ATOM 223 CA ILE A 15 -5.481 -8.268 -2.085 1.00 44.43 C ATOM 224 C ILE A 15 -5.810 -8.000 -3.563 1.00 65.43 C ATOM 225 O ILE A 15 -5.956 -6.845 -3.969 1.00 73.22 O ATOM 226 CB ILE A 15 -3.958 -8.647 -1.945 1.00 3.11 C ATOM 227 CG1 ILE A 15 -3.571 -8.773 -0.443 1.00 44.34 C ATOM 228 CG2 ILE A 15 -3.042 -7.636 -2.676 1.00 40.40 C ATOM 229 CD1 ILE A 15 -2.162 -9.263 -0.183 1.00 11.05 C ATOM 0 H ILE A 15 -5.824 -10.099 -1.102 1.00 71.33 H new ATOM 0 HA ILE A 15 -5.674 -7.363 -1.508 1.00 44.43 H new ATOM 0 HB ILE A 15 -3.808 -9.614 -2.426 1.00 3.11 H new ATOM 0 HG12 ILE A 15 -3.694 -7.799 0.031 1.00 44.34 H new ATOM 0 HG13 ILE A 15 -4.271 -9.454 0.041 1.00 44.34 H new ATOM 0 HG21 ILE A 15 -2.001 -7.934 -2.554 1.00 40.40 H new ATOM 0 HG22 ILE A 15 -3.293 -7.618 -3.737 1.00 40.40 H new ATOM 0 HG23 ILE A 15 -3.186 -6.642 -2.253 1.00 40.40 H new ATOM 0 HD11 ILE A 15 -1.988 -9.317 0.892 1.00 11.05 H new ATOM 0 HD12 ILE A 15 -2.034 -10.253 -0.622 1.00 11.05 H new ATOM 0 HD13 ILE A 15 -1.448 -8.572 -0.632 1.00 11.05 H new ATOM 241 N SER A 16 -5.950 -9.099 -4.333 1.00 32.12 N ATOM 242 CA SER A 16 -6.289 -9.051 -5.759 1.00 34.10 C ATOM 243 C SER A 16 -7.648 -8.359 -5.959 1.00 31.10 C ATOM 244 O SER A 16 -7.745 -7.418 -6.737 1.00 20.01 O ATOM 245 CB SER A 16 -6.315 -10.481 -6.351 1.00 51.24 C ATOM 246 OG SER A 16 -6.573 -10.462 -7.747 1.00 41.52 O ATOM 0 H SER A 16 -5.829 -10.047 -3.975 1.00 32.12 H new ATOM 0 HA SER A 16 -5.527 -8.474 -6.283 1.00 34.10 H new ATOM 0 HB2 SER A 16 -5.360 -10.971 -6.163 1.00 51.24 H new ATOM 0 HB3 SER A 16 -7.080 -11.071 -5.847 1.00 51.24 H new ATOM 0 HG SER A 16 -6.581 -11.380 -8.091 1.00 41.52 H new ATOM 252 N SER A 17 -8.659 -8.808 -5.189 1.00 33.24 N ATOM 253 CA SER A 17 -10.050 -8.337 -5.307 1.00 54.21 C ATOM 254 C SER A 17 -10.163 -6.815 -5.070 1.00 74.34 C ATOM 255 O SER A 17 -10.768 -6.101 -5.870 1.00 62.02 O ATOM 256 CB SER A 17 -10.937 -9.109 -4.303 1.00 61.35 C ATOM 257 OG SER A 17 -10.828 -10.516 -4.498 1.00 73.33 O ATOM 0 H SER A 17 -8.530 -9.513 -4.463 1.00 33.24 H new ATOM 0 HA SER A 17 -10.392 -8.529 -6.324 1.00 54.21 H new ATOM 0 HB2 SER A 17 -10.643 -8.856 -3.284 1.00 61.35 H new ATOM 0 HB3 SER A 17 -11.976 -8.802 -4.420 1.00 61.35 H new ATOM 0 HG SER A 17 -9.962 -10.827 -4.162 1.00 73.33 H new ATOM 263 N VAL A 18 -9.534 -6.342 -3.979 1.00 72.31 N ATOM 264 CA VAL A 18 -9.578 -4.928 -3.558 1.00 10.30 C ATOM 265 C VAL A 18 -8.844 -4.043 -4.567 1.00 43.13 C ATOM 266 O VAL A 18 -9.350 -2.999 -4.967 1.00 62.30 O ATOM 267 CB VAL A 18 -8.926 -4.736 -2.147 1.00 15.03 C ATOM 268 CG1 VAL A 18 -8.994 -3.261 -1.680 1.00 74.01 C ATOM 269 CG2 VAL A 18 -9.579 -5.676 -1.124 1.00 11.03 C ATOM 0 H VAL A 18 -8.978 -6.932 -3.361 1.00 72.31 H new ATOM 0 HA VAL A 18 -10.627 -4.637 -3.508 1.00 10.30 H new ATOM 0 HB VAL A 18 -7.870 -4.995 -2.227 1.00 15.03 H new ATOM 0 HG11 VAL A 18 -8.532 -3.169 -0.697 1.00 74.01 H new ATOM 0 HG12 VAL A 18 -8.463 -2.629 -2.392 1.00 74.01 H new ATOM 0 HG13 VAL A 18 -10.036 -2.945 -1.622 1.00 74.01 H new ATOM 0 HG21 VAL A 18 -9.115 -5.531 -0.148 1.00 11.03 H new ATOM 0 HG22 VAL A 18 -10.644 -5.456 -1.056 1.00 11.03 H new ATOM 0 HG23 VAL A 18 -9.442 -6.710 -1.441 1.00 11.03 H new ATOM 279 N GLN A 19 -7.647 -4.504 -4.960 1.00 72.32 N ATOM 280 CA GLN A 19 -6.763 -3.806 -5.903 1.00 0.34 C ATOM 281 C GLN A 19 -7.483 -3.561 -7.243 1.00 31.22 C ATOM 282 O GLN A 19 -7.475 -2.448 -7.755 1.00 54.44 O ATOM 283 CB GLN A 19 -5.488 -4.654 -6.115 1.00 32.34 C ATOM 284 CG GLN A 19 -4.459 -4.080 -7.106 1.00 14.43 C ATOM 285 CD GLN A 19 -3.297 -5.036 -7.393 1.00 1.41 C ATOM 286 OE1 GLN A 19 -2.771 -5.063 -8.506 1.00 13.42 O ATOM 287 NE2 GLN A 19 -2.851 -5.792 -6.389 1.00 62.51 N ATOM 0 H GLN A 19 -7.261 -5.387 -4.625 1.00 72.32 H new ATOM 0 HA GLN A 19 -6.488 -2.834 -5.493 1.00 0.34 H new ATOM 0 HB2 GLN A 19 -4.999 -4.788 -5.150 1.00 32.34 H new ATOM 0 HB3 GLN A 19 -5.786 -5.643 -6.462 1.00 32.34 H new ATOM 0 HG2 GLN A 19 -4.962 -3.839 -8.042 1.00 14.43 H new ATOM 0 HG3 GLN A 19 -4.062 -3.146 -6.707 1.00 14.43 H new ATOM 0 HE21 GLN A 19 -3.306 -5.749 -5.477 1.00 62.51 H new ATOM 0 HE22 GLN A 19 -2.055 -6.413 -6.533 1.00 62.51 H new ATOM 296 N GLU A 20 -8.143 -4.618 -7.756 1.00 51.23 N ATOM 297 CA GLU A 20 -8.872 -4.582 -9.039 1.00 62.01 C ATOM 298 C GLU A 20 -10.100 -3.660 -8.955 1.00 11.12 C ATOM 299 O GLU A 20 -10.323 -2.856 -9.855 1.00 14.11 O ATOM 300 CB GLU A 20 -9.284 -6.015 -9.464 1.00 54.10 C ATOM 301 CG GLU A 20 -8.093 -6.930 -9.830 1.00 35.32 C ATOM 302 CD GLU A 20 -8.527 -8.368 -10.144 1.00 31.33 C ATOM 303 OE1 GLU A 20 -8.931 -9.081 -9.207 1.00 15.14 O ATOM 304 OE2 GLU A 20 -8.506 -8.780 -11.324 1.00 61.15 O ATOM 0 H GLU A 20 -8.186 -5.524 -7.290 1.00 51.23 H new ATOM 0 HA GLU A 20 -8.205 -4.174 -9.799 1.00 62.01 H new ATOM 0 HB2 GLU A 20 -9.847 -6.476 -8.652 1.00 54.10 H new ATOM 0 HB3 GLU A 20 -9.955 -5.950 -10.320 1.00 54.10 H new ATOM 0 HG2 GLU A 20 -7.573 -6.515 -10.693 1.00 35.32 H new ATOM 0 HG3 GLU A 20 -7.381 -6.941 -9.004 1.00 35.32 H new ATOM 311 N ARG A 21 -10.867 -3.775 -7.850 1.00 5.14 N ATOM 312 CA ARG A 21 -12.079 -2.955 -7.615 1.00 1.04 C ATOM 313 C ARG A 21 -11.723 -1.463 -7.464 1.00 61.20 C ATOM 314 O ARG A 21 -12.453 -0.596 -7.946 1.00 64.34 O ATOM 315 CB ARG A 21 -12.856 -3.460 -6.358 1.00 25.54 C ATOM 316 CG ARG A 21 -13.641 -4.780 -6.573 1.00 14.32 C ATOM 317 CD ARG A 21 -14.778 -4.634 -7.607 1.00 53.41 C ATOM 318 NE ARG A 21 -15.493 -5.899 -7.851 1.00 45.55 N ATOM 319 CZ ARG A 21 -16.494 -6.068 -8.739 1.00 23.12 C ATOM 320 NH1 ARG A 21 -16.926 -5.059 -9.490 1.00 15.20 N ATOM 321 NH2 ARG A 21 -17.044 -7.265 -8.881 1.00 12.13 N ATOM 0 H ARG A 21 -10.667 -4.435 -7.098 1.00 5.14 H new ATOM 0 HA ARG A 21 -12.725 -3.062 -8.487 1.00 1.04 H new ATOM 0 HB2 ARG A 21 -12.148 -3.602 -5.542 1.00 25.54 H new ATOM 0 HB3 ARG A 21 -13.554 -2.685 -6.042 1.00 25.54 H new ATOM 0 HG2 ARG A 21 -12.953 -5.558 -6.903 1.00 14.32 H new ATOM 0 HG3 ARG A 21 -14.060 -5.108 -5.622 1.00 14.32 H new ATOM 0 HD2 ARG A 21 -15.486 -3.883 -7.258 1.00 53.41 H new ATOM 0 HD3 ARG A 21 -14.364 -4.269 -8.547 1.00 53.41 H new ATOM 0 HE ARG A 21 -15.208 -6.712 -7.305 1.00 45.55 H new ATOM 0 HH11 ARG A 21 -16.499 -4.137 -9.400 1.00 15.20 H new ATOM 0 HH12 ARG A 21 -17.684 -5.207 -10.156 1.00 15.20 H new ATOM 0 HH21 ARG A 21 -16.710 -8.049 -8.321 1.00 12.13 H new ATOM 0 HH22 ARG A 21 -17.802 -7.402 -9.550 1.00 12.13 H new ATOM 335 N ALA A 22 -10.582 -1.194 -6.812 1.00 20.34 N ATOM 336 CA ALA A 22 -10.122 0.172 -6.514 1.00 44.12 C ATOM 337 C ALA A 22 -9.530 0.844 -7.767 1.00 41.45 C ATOM 338 O ALA A 22 -9.755 2.025 -7.992 1.00 41.01 O ATOM 339 CB ALA A 22 -9.101 0.142 -5.366 1.00 20.23 C ATOM 0 H ALA A 22 -9.950 -1.920 -6.475 1.00 20.34 H new ATOM 0 HA ALA A 22 -10.980 0.767 -6.201 1.00 44.12 H new ATOM 0 HB1 ALA A 22 -8.765 1.156 -5.151 1.00 20.23 H new ATOM 0 HB2 ALA A 22 -9.566 -0.282 -4.476 1.00 20.23 H new ATOM 0 HB3 ALA A 22 -8.246 -0.470 -5.655 1.00 20.23 H new ATOM 345 N LYS A 23 -8.785 0.068 -8.583 1.00 54.34 N ATOM 346 CA LYS A 23 -8.171 0.566 -9.841 1.00 44.42 C ATOM 347 C LYS A 23 -9.227 0.743 -10.948 1.00 51.41 C ATOM 348 O LYS A 23 -9.086 1.614 -11.815 1.00 63.43 O ATOM 349 CB LYS A 23 -7.039 -0.386 -10.331 1.00 32.15 C ATOM 350 CG LYS A 23 -5.766 -0.373 -9.445 1.00 1.34 C ATOM 351 CD LYS A 23 -4.635 -1.288 -9.978 1.00 73.30 C ATOM 352 CE LYS A 23 -4.172 -0.918 -11.404 1.00 24.14 C ATOM 353 NZ LYS A 23 -3.762 0.508 -11.511 1.00 62.04 N ATOM 0 H LYS A 23 -8.591 -0.915 -8.394 1.00 54.34 H new ATOM 0 HA LYS A 23 -7.734 1.540 -9.622 1.00 44.42 H new ATOM 0 HB2 LYS A 23 -7.428 -1.403 -10.372 1.00 32.15 H new ATOM 0 HB3 LYS A 23 -6.762 -0.109 -11.348 1.00 32.15 H new ATOM 0 HG2 LYS A 23 -5.393 0.649 -9.373 1.00 1.34 H new ATOM 0 HG3 LYS A 23 -6.032 -0.687 -8.436 1.00 1.34 H new ATOM 0 HD2 LYS A 23 -3.783 -1.233 -9.301 1.00 73.30 H new ATOM 0 HD3 LYS A 23 -4.980 -2.322 -9.972 1.00 73.30 H new ATOM 0 HE2 LYS A 23 -3.336 -1.557 -11.690 1.00 24.14 H new ATOM 0 HE3 LYS A 23 -4.980 -1.116 -12.109 1.00 24.14 H new ATOM 0 HZ1 LYS A 23 -3.396 0.693 -12.467 1.00 62.04 H new ATOM 0 HZ2 LYS A 23 -4.583 1.120 -11.331 1.00 62.04 H new ATOM 0 HZ3 LYS A 23 -3.020 0.709 -10.811 1.00 62.04 H new ATOM 367 N HIS A 24 -10.270 -0.101 -10.923 1.00 44.25 N ATOM 368 CA HIS A 24 -11.370 -0.046 -11.906 1.00 23.43 C ATOM 369 C HIS A 24 -12.303 1.135 -11.591 1.00 74.13 C ATOM 370 O HIS A 24 -12.748 1.845 -12.500 1.00 52.32 O ATOM 371 CB HIS A 24 -12.152 -1.384 -11.908 1.00 11.35 C ATOM 372 CG HIS A 24 -13.242 -1.480 -12.938 1.00 5.11 C ATOM 373 ND1 HIS A 24 -13.027 -1.947 -14.215 1.00 64.23 N ATOM 374 CD2 HIS A 24 -14.558 -1.153 -12.882 1.00 64.23 C ATOM 375 CE1 HIS A 24 -14.159 -1.908 -14.892 1.00 43.23 C ATOM 376 NE2 HIS A 24 -15.099 -1.434 -14.103 1.00 71.13 N ATOM 0 H HIS A 24 -10.377 -0.838 -10.226 1.00 44.25 H new ATOM 0 HA HIS A 24 -10.951 0.106 -12.901 1.00 23.43 H new ATOM 0 HB2 HIS A 24 -11.447 -2.199 -12.070 1.00 11.35 H new ATOM 0 HB3 HIS A 24 -12.591 -1.533 -10.921 1.00 11.35 H new ATOM 0 HD2 HIS A 24 -15.080 -0.746 -12.029 1.00 64.23 H new ATOM 0 HE1 HIS A 24 -14.291 -2.213 -15.919 1.00 43.23 H new ATOM 0 HE2 HIS A 24 -16.076 -1.298 -14.362 1.00 71.13 H new ATOM 385 N ASN A 25 -12.591 1.328 -10.289 1.00 24.40 N ATOM 386 CA ASN A 25 -13.442 2.441 -9.810 1.00 4.23 C ATOM 387 C ASN A 25 -12.680 3.773 -9.914 1.00 53.35 C ATOM 388 O ASN A 25 -13.271 4.833 -10.149 1.00 21.31 O ATOM 389 CB ASN A 25 -13.887 2.192 -8.341 1.00 2.25 C ATOM 390 CG ASN A 25 -14.999 3.138 -7.878 1.00 3.41 C ATOM 391 OD1 ASN A 25 -16.182 2.818 -7.970 1.00 70.50 O ATOM 392 ND2 ASN A 25 -14.641 4.324 -7.422 1.00 73.44 N ATOM 0 H ASN A 25 -12.245 0.724 -9.543 1.00 24.40 H new ATOM 0 HA ASN A 25 -14.331 2.493 -10.438 1.00 4.23 H new ATOM 0 HB2 ASN A 25 -14.230 1.162 -8.242 1.00 2.25 H new ATOM 0 HB3 ASN A 25 -13.025 2.305 -7.683 1.00 2.25 H new ATOM 0 HD21 ASN A 25 -15.353 4.997 -7.137 1.00 73.44 H new ATOM 0 HD22 ASN A 25 -13.653 4.567 -7.355 1.00 73.44 H new ATOM 399 N TYR A 26 -11.348 3.697 -9.729 1.00 23.23 N ATOM 400 CA TYR A 26 -10.449 4.859 -9.760 1.00 31.43 C ATOM 401 C TYR A 26 -9.293 4.621 -10.759 1.00 43.05 C ATOM 402 O TYR A 26 -8.210 4.168 -10.361 1.00 5.12 O ATOM 403 CB TYR A 26 -9.889 5.142 -8.345 1.00 71.30 C ATOM 404 CG TYR A 26 -10.943 5.420 -7.269 1.00 74.00 C ATOM 405 CD1 TYR A 26 -11.719 6.583 -7.310 1.00 50.15 C ATOM 406 CD2 TYR A 26 -11.167 4.526 -6.215 1.00 13.24 C ATOM 407 CE1 TYR A 26 -12.673 6.843 -6.344 1.00 72.21 C ATOM 408 CE2 TYR A 26 -12.118 4.784 -5.248 1.00 70.50 C ATOM 409 CZ TYR A 26 -12.871 5.941 -5.319 1.00 14.12 C ATOM 410 OH TYR A 26 -13.836 6.194 -4.369 1.00 34.52 O ATOM 0 H TYR A 26 -10.864 2.817 -9.552 1.00 23.23 H new ATOM 0 HA TYR A 26 -11.017 5.729 -10.090 1.00 31.43 H new ATOM 0 HB2 TYR A 26 -9.290 4.287 -8.031 1.00 71.30 H new ATOM 0 HB3 TYR A 26 -9.217 5.998 -8.402 1.00 71.30 H new ATOM 0 HD1 TYR A 26 -11.570 7.291 -8.112 1.00 50.15 H new ATOM 0 HD2 TYR A 26 -10.585 3.618 -6.157 1.00 13.24 H new ATOM 0 HE1 TYR A 26 -13.261 7.748 -6.391 1.00 72.21 H new ATOM 0 HE2 TYR A 26 -12.273 4.085 -4.440 1.00 70.50 H new ATOM 0 HH TYR A 26 -14.406 5.404 -4.263 1.00 34.52 H new ATOM 420 N PRO A 27 -9.513 4.893 -12.085 1.00 73.42 N ATOM 421 CA PRO A 27 -8.456 4.740 -13.121 1.00 2.52 C ATOM 422 C PRO A 27 -7.398 5.868 -13.067 1.00 15.42 C ATOM 423 O PRO A 27 -6.327 5.757 -13.675 1.00 41.30 O ATOM 424 CB PRO A 27 -9.266 4.776 -14.439 1.00 34.22 C ATOM 425 CG PRO A 27 -10.447 5.650 -14.126 1.00 70.32 C ATOM 426 CD PRO A 27 -10.805 5.354 -12.680 1.00 55.24 C ATOM 0 HA PRO A 27 -7.870 3.830 -12.993 1.00 2.52 H new ATOM 0 HB2 PRO A 27 -8.675 5.185 -15.258 1.00 34.22 H new ATOM 0 HB3 PRO A 27 -9.580 3.777 -14.740 1.00 34.22 H new ATOM 0 HG2 PRO A 27 -10.201 6.703 -14.261 1.00 70.32 H new ATOM 0 HG3 PRO A 27 -11.284 5.430 -14.789 1.00 70.32 H new ATOM 0 HD2 PRO A 27 -11.187 6.240 -12.172 1.00 55.24 H new ATOM 0 HD3 PRO A 27 -11.576 4.587 -12.607 1.00 55.24 H new ATOM 434 N GLY A 28 -7.713 6.947 -12.321 1.00 70.12 N ATOM 435 CA GLY A 28 -6.835 8.108 -12.192 1.00 30.22 C ATOM 436 C GLY A 28 -6.308 8.285 -10.775 1.00 62.35 C ATOM 437 O GLY A 28 -6.103 9.417 -10.326 1.00 22.25 O ATOM 0 H GLY A 28 -8.583 7.029 -11.796 1.00 70.12 H new ATOM 0 HA2 GLY A 28 -5.995 8.002 -12.878 1.00 30.22 H new ATOM 0 HA3 GLY A 28 -7.378 9.005 -12.489 1.00 30.22 H new ATOM 441 N ARG A 29 -6.087 7.159 -10.062 1.00 62.35 N ATOM 442 CA ARG A 29 -5.511 7.162 -8.699 1.00 15.31 C ATOM 443 C ARG A 29 -4.276 6.259 -8.636 1.00 34.45 C ATOM 444 O ARG A 29 -4.158 5.284 -9.388 1.00 4.50 O ATOM 445 CB ARG A 29 -6.561 6.723 -7.637 1.00 0.41 C ATOM 446 CG ARG A 29 -7.721 7.729 -7.397 1.00 0.25 C ATOM 447 CD ARG A 29 -7.312 8.984 -6.619 1.00 62.43 C ATOM 448 NE ARG A 29 -6.342 9.819 -7.341 1.00 52.53 N ATOM 449 CZ ARG A 29 -5.551 10.729 -6.772 1.00 1.14 C ATOM 450 NH1 ARG A 29 -5.610 10.942 -5.465 1.00 12.24 N ATOM 451 NH2 ARG A 29 -4.695 11.410 -7.513 1.00 14.22 N ATOM 0 H ARG A 29 -6.302 6.226 -10.413 1.00 62.35 H new ATOM 0 HA ARG A 29 -5.210 8.184 -8.468 1.00 15.31 H new ATOM 0 HB2 ARG A 29 -6.987 5.768 -7.944 1.00 0.41 H new ATOM 0 HB3 ARG A 29 -6.048 6.553 -6.691 1.00 0.41 H new ATOM 0 HG2 ARG A 29 -8.131 8.030 -8.361 1.00 0.25 H new ATOM 0 HG3 ARG A 29 -8.520 7.223 -6.855 1.00 0.25 H new ATOM 0 HD2 ARG A 29 -8.201 9.576 -6.402 1.00 62.43 H new ATOM 0 HD3 ARG A 29 -6.885 8.687 -5.661 1.00 62.43 H new ATOM 0 HE ARG A 29 -6.269 9.693 -8.351 1.00 52.53 H new ATOM 0 HH11 ARG A 29 -6.262 10.409 -4.890 1.00 12.24 H new ATOM 0 HH12 ARG A 29 -5.003 11.639 -5.034 1.00 12.24 H new ATOM 0 HH21 ARG A 29 -4.641 11.239 -8.517 1.00 14.22 H new ATOM 0 HH22 ARG A 29 -4.088 12.107 -7.081 1.00 14.22 H new ATOM 465 N GLU A 30 -3.365 6.604 -7.715 1.00 54.25 N ATOM 466 CA GLU A 30 -2.083 5.922 -7.546 1.00 21.34 C ATOM 467 C GLU A 30 -2.232 4.721 -6.588 1.00 51.33 C ATOM 468 O GLU A 30 -2.557 4.893 -5.405 1.00 40.10 O ATOM 469 CB GLU A 30 -1.046 6.942 -7.010 1.00 53.03 C ATOM 470 CG GLU A 30 -0.834 8.174 -7.910 1.00 44.22 C ATOM 471 CD GLU A 30 -0.344 7.817 -9.328 1.00 51.03 C ATOM 472 OE1 GLU A 30 0.782 7.300 -9.468 1.00 31.40 O ATOM 473 OE2 GLU A 30 -1.074 8.066 -10.311 1.00 50.21 O ATOM 0 H GLU A 30 -3.504 7.374 -7.061 1.00 54.25 H new ATOM 0 HA GLU A 30 -1.740 5.532 -8.504 1.00 21.34 H new ATOM 0 HB2 GLU A 30 -1.364 7.279 -6.024 1.00 53.03 H new ATOM 0 HB3 GLU A 30 -0.090 6.434 -6.880 1.00 53.03 H new ATOM 0 HG2 GLU A 30 -1.771 8.726 -7.985 1.00 44.22 H new ATOM 0 HG3 GLU A 30 -0.109 8.839 -7.439 1.00 44.22 H new ATOM 480 N ILE A 31 -1.991 3.510 -7.118 1.00 32.41 N ATOM 481 CA ILE A 31 -2.100 2.232 -6.384 1.00 44.42 C ATOM 482 C ILE A 31 -0.919 1.317 -6.786 1.00 72.53 C ATOM 483 O ILE A 31 -0.726 1.022 -7.973 1.00 23.11 O ATOM 484 CB ILE A 31 -3.483 1.525 -6.688 1.00 62.31 C ATOM 485 CG1 ILE A 31 -4.668 2.359 -6.090 1.00 24.13 C ATOM 486 CG2 ILE A 31 -3.507 0.062 -6.175 1.00 13.41 C ATOM 487 CD1 ILE A 31 -6.052 1.822 -6.392 1.00 40.12 C ATOM 0 H ILE A 31 -1.708 3.387 -8.090 1.00 32.41 H new ATOM 0 HA ILE A 31 -2.059 2.428 -5.313 1.00 44.42 H new ATOM 0 HB ILE A 31 -3.606 1.483 -7.770 1.00 62.31 H new ATOM 0 HG12 ILE A 31 -4.544 2.412 -5.008 1.00 24.13 H new ATOM 0 HG13 ILE A 31 -4.601 3.379 -6.469 1.00 24.13 H new ATOM 0 HG21 ILE A 31 -4.473 -0.388 -6.403 1.00 13.41 H new ATOM 0 HG22 ILE A 31 -2.717 -0.508 -6.664 1.00 13.41 H new ATOM 0 HG23 ILE A 31 -3.348 0.052 -5.097 1.00 13.41 H new ATOM 0 HD11 ILE A 31 -6.801 2.469 -5.935 1.00 40.12 H new ATOM 0 HD12 ILE A 31 -6.205 1.796 -7.471 1.00 40.12 H new ATOM 0 HD13 ILE A 31 -6.147 0.814 -5.988 1.00 40.12 H new ATOM 499 N ARG A 32 -0.121 0.895 -5.786 1.00 1.40 N ATOM 500 CA ARG A 32 1.016 -0.033 -5.963 1.00 31.21 C ATOM 501 C ARG A 32 0.678 -1.440 -5.461 1.00 2.42 C ATOM 502 O ARG A 32 -0.354 -1.666 -4.816 1.00 3.02 O ATOM 503 CB ARG A 32 2.285 0.491 -5.225 1.00 42.14 C ATOM 504 CG ARG A 32 3.116 1.519 -6.011 1.00 30.23 C ATOM 505 CD ARG A 32 3.689 0.951 -7.321 1.00 33.51 C ATOM 506 NE ARG A 32 4.698 1.852 -7.910 1.00 65.55 N ATOM 507 CZ ARG A 32 6.007 1.573 -8.030 1.00 31.20 C ATOM 508 NH1 ARG A 32 6.502 0.398 -7.635 1.00 65.21 N ATOM 509 NH2 ARG A 32 6.824 2.480 -8.536 1.00 32.34 N ATOM 0 H ARG A 32 -0.249 1.193 -4.819 1.00 1.40 H new ATOM 0 HA ARG A 32 1.220 -0.086 -7.032 1.00 31.21 H new ATOM 0 HB2 ARG A 32 1.978 0.940 -4.280 1.00 42.14 H new ATOM 0 HB3 ARG A 32 2.922 -0.359 -4.981 1.00 42.14 H new ATOM 0 HG2 ARG A 32 2.493 2.384 -6.238 1.00 30.23 H new ATOM 0 HG3 ARG A 32 3.936 1.871 -5.385 1.00 30.23 H new ATOM 0 HD2 ARG A 32 4.138 -0.023 -7.130 1.00 33.51 H new ATOM 0 HD3 ARG A 32 2.880 0.794 -8.035 1.00 33.51 H new ATOM 0 HE ARG A 32 4.377 2.757 -8.253 1.00 65.55 H new ATOM 0 HH11 ARG A 32 5.884 -0.307 -7.234 1.00 65.21 H new ATOM 0 HH12 ARG A 32 7.499 0.205 -7.734 1.00 65.21 H new ATOM 0 HH21 ARG A 32 6.460 3.385 -8.833 1.00 32.34 H new ATOM 0 HH22 ARG A 32 7.819 2.275 -8.630 1.00 32.34 H new ATOM 523 N THR A 33 1.589 -2.371 -5.773 1.00 34.42 N ATOM 524 CA THR A 33 1.514 -3.771 -5.362 1.00 53.12 C ATOM 525 C THR A 33 2.948 -4.274 -5.093 1.00 3.43 C ATOM 526 O THR A 33 3.697 -4.575 -6.029 1.00 51.24 O ATOM 527 CB THR A 33 0.817 -4.636 -6.466 1.00 62.12 C ATOM 528 OG1 THR A 33 -0.439 -4.036 -6.815 1.00 3.22 O ATOM 529 CG2 THR A 33 0.578 -6.082 -6.005 1.00 21.43 C ATOM 0 H THR A 33 2.417 -2.162 -6.332 1.00 34.42 H new ATOM 0 HA THR A 33 0.916 -3.860 -4.455 1.00 53.12 H new ATOM 0 HB THR A 33 1.481 -4.669 -7.330 1.00 62.12 H new ATOM 0 HG1 THR A 33 -0.725 -4.363 -7.694 1.00 3.22 H new ATOM 0 HG21 THR A 33 0.093 -6.643 -6.804 1.00 21.43 H new ATOM 0 HG22 THR A 33 1.532 -6.549 -5.762 1.00 21.43 H new ATOM 0 HG23 THR A 33 -0.061 -6.081 -5.122 1.00 21.43 H new ATOM 537 N ALA A 34 3.338 -4.305 -3.809 1.00 5.01 N ATOM 538 CA ALA A 34 4.702 -4.651 -3.394 1.00 13.11 C ATOM 539 C ALA A 34 4.914 -6.171 -3.356 1.00 63.24 C ATOM 540 O ALA A 34 4.191 -6.894 -2.658 1.00 12.41 O ATOM 541 CB ALA A 34 5.013 -4.034 -2.033 1.00 42.15 C ATOM 0 H ALA A 34 2.715 -4.090 -3.031 1.00 5.01 H new ATOM 0 HA ALA A 34 5.389 -4.242 -4.135 1.00 13.11 H new ATOM 0 HB1 ALA A 34 6.028 -4.299 -1.737 1.00 42.15 H new ATOM 0 HB2 ALA A 34 4.925 -2.949 -2.096 1.00 42.15 H new ATOM 0 HB3 ALA A 34 4.309 -4.413 -1.292 1.00 42.15 H new ATOM 547 N THR A 35 5.907 -6.634 -4.127 1.00 51.14 N ATOM 548 CA THR A 35 6.347 -8.031 -4.110 1.00 13.00 C ATOM 549 C THR A 35 7.327 -8.275 -2.931 1.00 71.42 C ATOM 550 O THR A 35 7.142 -9.214 -2.153 1.00 0.41 O ATOM 551 CB THR A 35 6.982 -8.455 -5.486 1.00 15.25 C ATOM 552 OG1 THR A 35 7.431 -9.821 -5.440 1.00 34.34 O ATOM 553 CG2 THR A 35 8.148 -7.543 -5.922 1.00 14.24 C ATOM 0 H THR A 35 6.427 -6.048 -4.780 1.00 51.14 H new ATOM 0 HA THR A 35 5.470 -8.660 -3.959 1.00 13.00 H new ATOM 0 HB THR A 35 6.191 -8.349 -6.229 1.00 15.25 H new ATOM 0 HG1 THR A 35 7.821 -10.066 -6.305 1.00 34.34 H new ATOM 0 HG21 THR A 35 8.542 -7.888 -6.878 1.00 14.24 H new ATOM 0 HG22 THR A 35 7.790 -6.519 -6.026 1.00 14.24 H new ATOM 0 HG23 THR A 35 8.937 -7.577 -5.171 1.00 14.24 H new ATOM 561 N SER A 36 8.337 -7.385 -2.780 1.00 14.25 N ATOM 562 CA SER A 36 9.417 -7.533 -1.780 1.00 23.20 C ATOM 563 C SER A 36 10.256 -6.225 -1.718 1.00 5.24 C ATOM 564 O SER A 36 9.905 -5.241 -2.387 1.00 73.33 O ATOM 565 CB SER A 36 10.282 -8.787 -2.123 1.00 63.22 C ATOM 566 OG SER A 36 11.249 -9.071 -1.124 1.00 2.54 O ATOM 0 H SER A 36 8.424 -6.544 -3.350 1.00 14.25 H new ATOM 0 HA SER A 36 8.996 -7.693 -0.788 1.00 23.20 H new ATOM 0 HB2 SER A 36 9.629 -9.651 -2.248 1.00 63.22 H new ATOM 0 HB3 SER A 36 10.786 -8.627 -3.076 1.00 63.22 H new ATOM 0 HG SER A 36 11.763 -9.864 -1.383 1.00 2.54 H new ATOM 572 N SER A 37 11.364 -6.245 -0.926 1.00 71.31 N ATOM 573 CA SER A 37 12.161 -5.051 -0.536 1.00 64.22 C ATOM 574 C SER A 37 12.591 -4.147 -1.711 1.00 20.12 C ATOM 575 O SER A 37 12.582 -2.931 -1.555 1.00 63.04 O ATOM 576 CB SER A 37 13.418 -5.470 0.271 1.00 54.22 C ATOM 577 OG SER A 37 13.076 -6.130 1.478 1.00 72.13 O ATOM 0 H SER A 37 11.734 -7.111 -0.534 1.00 71.31 H new ATOM 0 HA SER A 37 11.485 -4.456 0.079 1.00 64.22 H new ATOM 0 HB2 SER A 37 14.038 -6.127 -0.339 1.00 54.22 H new ATOM 0 HB3 SER A 37 14.015 -4.587 0.497 1.00 54.22 H new ATOM 0 HG SER A 37 12.244 -6.632 1.352 1.00 72.13 H new ATOM 583 N GLN A 38 12.972 -4.733 -2.870 1.00 52.13 N ATOM 584 CA GLN A 38 13.456 -3.937 -4.024 1.00 13.14 C ATOM 585 C GLN A 38 12.333 -3.027 -4.562 1.00 64.55 C ATOM 586 O GLN A 38 12.557 -1.840 -4.844 1.00 50.10 O ATOM 587 CB GLN A 38 14.013 -4.845 -5.161 1.00 55.23 C ATOM 588 CG GLN A 38 14.688 -4.084 -6.329 1.00 40.51 C ATOM 589 CD GLN A 38 15.922 -3.290 -5.884 1.00 53.44 C ATOM 590 OE1 GLN A 38 15.817 -2.135 -5.474 1.00 71.54 O ATOM 591 NE2 GLN A 38 17.099 -3.892 -5.965 1.00 4.23 N ATOM 0 H GLN A 38 12.955 -5.740 -3.031 1.00 52.13 H new ATOM 0 HA GLN A 38 14.277 -3.313 -3.670 1.00 13.14 H new ATOM 0 HB2 GLN A 38 14.736 -5.538 -4.732 1.00 55.23 H new ATOM 0 HB3 GLN A 38 13.195 -5.445 -5.561 1.00 55.23 H new ATOM 0 HG2 GLN A 38 14.979 -4.796 -7.101 1.00 40.51 H new ATOM 0 HG3 GLN A 38 13.966 -3.403 -6.779 1.00 40.51 H new ATOM 0 HE21 GLN A 38 17.159 -4.851 -6.308 1.00 4.23 H new ATOM 0 HE22 GLN A 38 17.945 -3.397 -5.684 1.00 4.23 H new ATOM 600 N ASP A 39 11.113 -3.597 -4.657 1.00 72.25 N ATOM 601 CA ASP A 39 9.924 -2.859 -5.113 1.00 31.24 C ATOM 602 C ASP A 39 9.497 -1.834 -4.056 1.00 41.01 C ATOM 603 O ASP A 39 9.109 -0.738 -4.410 1.00 5.35 O ATOM 604 CB ASP A 39 8.751 -3.812 -5.446 1.00 10.35 C ATOM 605 CG ASP A 39 7.573 -3.078 -6.135 1.00 70.22 C ATOM 606 OD1 ASP A 39 7.734 -2.661 -7.303 1.00 33.10 O ATOM 607 OD2 ASP A 39 6.495 -2.930 -5.536 1.00 41.21 O ATOM 0 H ASP A 39 10.929 -4.572 -4.421 1.00 72.25 H new ATOM 0 HA ASP A 39 10.191 -2.334 -6.030 1.00 31.24 H new ATOM 0 HB2 ASP A 39 9.108 -4.611 -6.096 1.00 10.35 H new ATOM 0 HB3 ASP A 39 8.396 -4.282 -4.529 1.00 10.35 H new ATOM 612 N ILE A 40 9.617 -2.210 -2.760 1.00 54.34 N ATOM 613 CA ILE A 40 9.360 -1.313 -1.605 1.00 4.11 C ATOM 614 C ILE A 40 10.136 0.023 -1.760 1.00 21.25 C ATOM 615 O ILE A 40 9.564 1.109 -1.603 1.00 3.12 O ATOM 616 CB ILE A 40 9.767 -2.028 -0.247 1.00 1.45 C ATOM 617 CG1 ILE A 40 8.796 -3.212 0.106 1.00 61.15 C ATOM 618 CG2 ILE A 40 9.892 -1.036 0.931 1.00 42.03 C ATOM 619 CD1 ILE A 40 7.373 -2.812 0.464 1.00 13.03 C ATOM 0 H ILE A 40 9.897 -3.151 -2.484 1.00 54.34 H new ATOM 0 HA ILE A 40 8.293 -1.090 -1.579 1.00 4.11 H new ATOM 0 HB ILE A 40 10.758 -2.451 -0.412 1.00 1.45 H new ATOM 0 HG12 ILE A 40 8.760 -3.894 -0.744 1.00 61.15 H new ATOM 0 HG13 ILE A 40 9.219 -3.768 0.943 1.00 61.15 H new ATOM 0 HG21 ILE A 40 10.172 -1.578 1.835 1.00 42.03 H new ATOM 0 HG22 ILE A 40 10.656 -0.293 0.702 1.00 42.03 H new ATOM 0 HG23 ILE A 40 8.936 -0.536 1.089 1.00 42.03 H new ATOM 0 HD11 ILE A 40 6.790 -3.705 0.690 1.00 13.03 H new ATOM 0 HD12 ILE A 40 7.387 -2.158 1.336 1.00 13.03 H new ATOM 0 HD13 ILE A 40 6.921 -2.286 -0.377 1.00 13.03 H new ATOM 631 N ARG A 41 11.437 -0.091 -2.105 1.00 14.32 N ATOM 632 CA ARG A 41 12.329 1.077 -2.283 1.00 52.12 C ATOM 633 C ARG A 41 11.924 1.875 -3.531 1.00 3.42 C ATOM 634 O ARG A 41 11.925 3.103 -3.510 1.00 54.32 O ATOM 635 CB ARG A 41 13.811 0.638 -2.402 1.00 41.31 C ATOM 636 CG ARG A 41 14.265 -0.298 -1.270 1.00 62.13 C ATOM 637 CD ARG A 41 15.771 -0.607 -1.284 1.00 2.31 C ATOM 638 NE ARG A 41 16.105 -1.725 -0.382 1.00 53.11 N ATOM 639 CZ ARG A 41 15.990 -1.723 0.963 1.00 30.14 C ATOM 640 NH1 ARG A 41 15.562 -0.657 1.640 1.00 75.24 N ATOM 641 NH2 ARG A 41 16.290 -2.821 1.630 1.00 15.12 N ATOM 0 H ARG A 41 11.896 -0.987 -2.267 1.00 14.32 H new ATOM 0 HA ARG A 41 12.226 1.710 -1.402 1.00 52.12 H new ATOM 0 HB2 ARG A 41 13.958 0.136 -3.359 1.00 41.31 H new ATOM 0 HB3 ARG A 41 14.445 1.524 -2.406 1.00 41.31 H new ATOM 0 HG2 ARG A 41 14.006 0.153 -0.312 1.00 62.13 H new ATOM 0 HG3 ARG A 41 13.711 -1.234 -1.342 1.00 62.13 H new ATOM 0 HD2 ARG A 41 16.083 -0.852 -2.299 1.00 2.31 H new ATOM 0 HD3 ARG A 41 16.328 0.281 -0.985 1.00 2.31 H new ATOM 0 HE ARG A 41 16.456 -2.579 -0.815 1.00 53.11 H new ATOM 0 HH11 ARG A 41 15.308 0.196 1.141 1.00 75.24 H new ATOM 0 HH12 ARG A 41 15.489 -0.694 2.657 1.00 75.24 H new ATOM 0 HH21 ARG A 41 16.603 -3.653 1.129 1.00 15.12 H new ATOM 0 HH22 ARG A 41 16.209 -2.838 2.647 1.00 15.12 H new ATOM 655 N ASP A 42 11.577 1.137 -4.606 1.00 21.42 N ATOM 656 CA ASP A 42 11.128 1.706 -5.896 1.00 5.44 C ATOM 657 C ASP A 42 9.865 2.584 -5.722 1.00 72.14 C ATOM 658 O ASP A 42 9.775 3.679 -6.299 1.00 0.12 O ATOM 659 CB ASP A 42 10.864 0.549 -6.901 1.00 63.54 C ATOM 660 CG ASP A 42 10.349 1.027 -8.270 1.00 24.14 C ATOM 661 OD1 ASP A 42 11.111 1.678 -9.009 1.00 20.24 O ATOM 662 OD2 ASP A 42 9.192 0.740 -8.627 1.00 51.31 O ATOM 0 H ASP A 42 11.601 0.117 -4.604 1.00 21.42 H new ATOM 0 HA ASP A 42 11.914 2.353 -6.285 1.00 5.44 H new ATOM 0 HB2 ASP A 42 11.787 -0.013 -7.045 1.00 63.54 H new ATOM 0 HB3 ASP A 42 10.137 -0.138 -6.468 1.00 63.54 H new ATOM 667 N ILE A 43 8.929 2.094 -4.891 1.00 22.23 N ATOM 668 CA ILE A 43 7.660 2.773 -4.577 1.00 23.43 C ATOM 669 C ILE A 43 7.931 4.128 -3.899 1.00 5.22 C ATOM 670 O ILE A 43 7.534 5.177 -4.409 1.00 42.10 O ATOM 671 CB ILE A 43 6.764 1.889 -3.620 1.00 10.31 C ATOM 672 CG1 ILE A 43 6.325 0.564 -4.324 1.00 73.45 C ATOM 673 CG2 ILE A 43 5.534 2.676 -3.108 1.00 2.01 C ATOM 674 CD1 ILE A 43 5.607 -0.434 -3.432 1.00 10.10 C ATOM 0 H ILE A 43 9.035 1.200 -4.411 1.00 22.23 H new ATOM 0 HA ILE A 43 7.129 2.931 -5.516 1.00 23.43 H new ATOM 0 HB ILE A 43 7.372 1.626 -2.754 1.00 10.31 H new ATOM 0 HG12 ILE A 43 5.673 0.815 -5.161 1.00 73.45 H new ATOM 0 HG13 ILE A 43 7.209 0.083 -4.742 1.00 73.45 H new ATOM 0 HG21 ILE A 43 4.941 2.038 -2.453 1.00 2.01 H new ATOM 0 HG22 ILE A 43 5.868 3.553 -2.554 1.00 2.01 H new ATOM 0 HG23 ILE A 43 4.926 2.992 -3.955 1.00 2.01 H new ATOM 0 HD11 ILE A 43 5.344 -1.318 -4.013 1.00 10.10 H new ATOM 0 HD12 ILE A 43 6.261 -0.722 -2.609 1.00 10.10 H new ATOM 0 HD13 ILE A 43 4.700 0.021 -3.034 1.00 10.10 H new ATOM 686 N ILE A 44 8.639 4.067 -2.763 1.00 41.32 N ATOM 687 CA ILE A 44 8.870 5.219 -1.873 1.00 52.24 C ATOM 688 C ILE A 44 9.795 6.270 -2.538 1.00 53.11 C ATOM 689 O ILE A 44 9.621 7.481 -2.343 1.00 14.35 O ATOM 690 CB ILE A 44 9.435 4.714 -0.489 1.00 0.05 C ATOM 691 CG1 ILE A 44 8.397 3.734 0.164 1.00 44.12 C ATOM 692 CG2 ILE A 44 9.775 5.888 0.471 1.00 21.32 C ATOM 693 CD1 ILE A 44 8.852 3.079 1.449 1.00 73.00 C ATOM 0 H ILE A 44 9.074 3.207 -2.430 1.00 41.32 H new ATOM 0 HA ILE A 44 7.921 5.723 -1.688 1.00 52.24 H new ATOM 0 HB ILE A 44 10.371 4.186 -0.672 1.00 0.05 H new ATOM 0 HG12 ILE A 44 7.476 4.283 0.361 1.00 44.12 H new ATOM 0 HG13 ILE A 44 8.154 2.953 -0.557 1.00 44.12 H new ATOM 0 HG21 ILE A 44 10.160 5.490 1.410 1.00 21.32 H new ATOM 0 HG22 ILE A 44 10.529 6.527 0.011 1.00 21.32 H new ATOM 0 HG23 ILE A 44 8.875 6.471 0.666 1.00 21.32 H new ATOM 0 HD11 ILE A 44 8.066 2.422 1.821 1.00 73.00 H new ATOM 0 HD12 ILE A 44 9.754 2.496 1.261 1.00 73.00 H new ATOM 0 HD13 ILE A 44 9.065 3.847 2.193 1.00 73.00 H new ATOM 705 N LYS A 45 10.730 5.787 -3.374 1.00 44.03 N ATOM 706 CA LYS A 45 11.628 6.647 -4.175 1.00 1.33 C ATOM 707 C LYS A 45 10.822 7.374 -5.280 1.00 73.32 C ATOM 708 O LYS A 45 11.129 8.521 -5.629 1.00 72.14 O ATOM 709 CB LYS A 45 12.778 5.793 -4.790 1.00 1.15 C ATOM 710 CG LYS A 45 13.952 6.572 -5.453 1.00 72.22 C ATOM 711 CD LYS A 45 14.916 7.279 -4.442 1.00 51.24 C ATOM 712 CE LYS A 45 14.463 8.694 -4.023 1.00 43.33 C ATOM 713 NZ LYS A 45 14.399 9.620 -5.188 1.00 12.25 N ATOM 0 H LYS A 45 10.887 4.789 -3.516 1.00 44.03 H new ATOM 0 HA LYS A 45 12.074 7.402 -3.527 1.00 1.33 H new ATOM 0 HB2 LYS A 45 13.191 5.161 -4.003 1.00 1.15 H new ATOM 0 HB3 LYS A 45 12.345 5.129 -5.538 1.00 1.15 H new ATOM 0 HG2 LYS A 45 14.531 5.880 -6.064 1.00 72.22 H new ATOM 0 HG3 LYS A 45 13.539 7.323 -6.127 1.00 72.22 H new ATOM 0 HD2 LYS A 45 15.007 6.659 -3.550 1.00 51.24 H new ATOM 0 HD3 LYS A 45 15.909 7.344 -4.888 1.00 51.24 H new ATOM 0 HE2 LYS A 45 13.483 8.637 -3.549 1.00 43.33 H new ATOM 0 HE3 LYS A 45 15.154 9.092 -3.279 1.00 43.33 H new ATOM 0 HZ1 LYS A 45 14.412 10.604 -4.851 1.00 12.25 H new ATOM 0 HZ2 LYS A 45 15.218 9.456 -5.807 1.00 12.25 H new ATOM 0 HZ3 LYS A 45 13.522 9.448 -5.721 1.00 12.25 H new ATOM 727 N SER A 46 9.777 6.688 -5.797 1.00 22.20 N ATOM 728 CA SER A 46 8.844 7.249 -6.796 1.00 22.11 C ATOM 729 C SER A 46 7.850 8.238 -6.139 1.00 73.34 C ATOM 730 O SER A 46 7.310 9.123 -6.817 1.00 31.24 O ATOM 731 CB SER A 46 8.091 6.105 -7.515 1.00 44.45 C ATOM 732 OG SER A 46 7.326 6.596 -8.594 1.00 54.54 O ATOM 0 H SER A 46 9.558 5.728 -5.531 1.00 22.20 H new ATOM 0 HA SER A 46 9.421 7.807 -7.534 1.00 22.11 H new ATOM 0 HB2 SER A 46 8.807 5.368 -7.879 1.00 44.45 H new ATOM 0 HB3 SER A 46 7.439 5.594 -6.807 1.00 44.45 H new ATOM 0 HG SER A 46 6.862 5.852 -9.031 1.00 54.54 H new ATOM 738 N MET A 47 7.616 8.077 -4.817 1.00 60.14 N ATOM 739 CA MET A 47 6.818 9.035 -4.014 1.00 62.11 C ATOM 740 C MET A 47 7.628 10.305 -3.752 1.00 22.21 C ATOM 741 O MET A 47 7.080 11.392 -3.566 1.00 63.10 O ATOM 742 CB MET A 47 6.392 8.426 -2.655 1.00 73.34 C ATOM 743 CG MET A 47 5.580 7.143 -2.764 1.00 3.24 C ATOM 744 SD MET A 47 4.780 6.701 -1.217 1.00 64.14 S ATOM 745 CE MET A 47 3.646 8.075 -1.049 1.00 55.11 C ATOM 0 H MET A 47 7.971 7.287 -4.279 1.00 60.14 H new ATOM 0 HA MET A 47 5.922 9.271 -4.588 1.00 62.11 H new ATOM 0 HB2 MET A 47 7.286 8.226 -2.065 1.00 73.34 H new ATOM 0 HB3 MET A 47 5.808 9.165 -2.107 1.00 73.34 H new ATOM 0 HG2 MET A 47 4.823 7.261 -3.540 1.00 3.24 H new ATOM 0 HG3 MET A 47 6.234 6.329 -3.077 1.00 3.24 H new ATOM 0 HE1 MET A 47 3.957 8.703 -0.214 1.00 55.11 H new ATOM 0 HE2 MET A 47 3.649 8.663 -1.967 1.00 55.11 H new ATOM 0 HE3 MET A 47 2.641 7.697 -0.864 1.00 55.11 H new ATOM 755 N LYS A 48 8.951 10.131 -3.678 1.00 11.02 N ATOM 756 CA LYS A 48 9.899 11.242 -3.543 1.00 74.41 C ATOM 757 C LYS A 48 10.280 11.841 -4.902 1.00 62.35 C ATOM 758 O LYS A 48 10.908 12.904 -4.957 1.00 22.01 O ATOM 759 CB LYS A 48 11.136 10.761 -2.759 1.00 64.52 C ATOM 760 CG LYS A 48 10.810 10.340 -1.308 1.00 11.23 C ATOM 761 CD LYS A 48 10.165 11.475 -0.468 1.00 52.25 C ATOM 762 CE LYS A 48 11.080 12.702 -0.313 1.00 21.35 C ATOM 763 NZ LYS A 48 12.380 12.355 0.320 1.00 72.32 N ATOM 0 H LYS A 48 9.396 9.214 -3.710 1.00 11.02 H new ATOM 0 HA LYS A 48 9.419 12.047 -2.986 1.00 74.41 H new ATOM 0 HB2 LYS A 48 11.585 9.917 -3.283 1.00 64.52 H new ATOM 0 HB3 LYS A 48 11.880 11.558 -2.741 1.00 64.52 H new ATOM 0 HG2 LYS A 48 10.135 9.484 -1.329 1.00 11.23 H new ATOM 0 HG3 LYS A 48 11.727 10.011 -0.818 1.00 11.23 H new ATOM 0 HD2 LYS A 48 9.231 11.782 -0.939 1.00 52.25 H new ATOM 0 HD3 LYS A 48 9.912 11.090 0.520 1.00 52.25 H new ATOM 0 HE2 LYS A 48 11.261 13.144 -1.293 1.00 21.35 H new ATOM 0 HE3 LYS A 48 10.574 13.457 0.289 1.00 21.35 H new ATOM 0 HZ1 LYS A 48 13.003 13.188 0.313 1.00 72.32 H new ATOM 0 HZ2 LYS A 48 12.218 12.052 1.302 1.00 72.32 H new ATOM 0 HZ3 LYS A 48 12.829 11.582 -0.211 1.00 72.32 H new ATOM 777 N ASP A 49 9.918 11.148 -5.991 1.00 33.45 N ATOM 778 CA ASP A 49 9.993 11.705 -7.350 1.00 60.44 C ATOM 779 C ASP A 49 8.822 12.690 -7.549 1.00 14.24 C ATOM 780 O ASP A 49 9.035 13.879 -7.821 1.00 61.43 O ATOM 781 CB ASP A 49 9.958 10.563 -8.402 1.00 54.44 C ATOM 782 CG ASP A 49 9.944 11.082 -9.849 1.00 72.33 C ATOM 783 OD1 ASP A 49 10.999 11.518 -10.349 1.00 34.13 O ATOM 784 OD2 ASP A 49 8.874 11.060 -10.494 1.00 13.22 O ATOM 0 H ASP A 49 9.567 10.191 -5.956 1.00 33.45 H new ATOM 0 HA ASP A 49 10.932 12.242 -7.483 1.00 60.44 H new ATOM 0 HB2 ASP A 49 10.826 9.919 -8.261 1.00 54.44 H new ATOM 0 HB3 ASP A 49 9.074 9.948 -8.234 1.00 54.44 H new ATOM 789 N ASN A 50 7.587 12.171 -7.401 1.00 50.11 N ATOM 790 CA ASN A 50 6.351 12.985 -7.362 1.00 40.10 C ATOM 791 C ASN A 50 5.573 12.624 -6.087 1.00 45.50 C ATOM 792 O ASN A 50 5.315 11.438 -5.852 1.00 34.21 O ATOM 793 CB ASN A 50 5.447 12.746 -8.613 1.00 23.04 C ATOM 794 CG ASN A 50 6.078 13.095 -9.972 1.00 63.41 C ATOM 795 OD1 ASN A 50 5.680 12.549 -11.004 1.00 70.32 O ATOM 796 ND2 ASN A 50 7.060 13.989 -10.001 1.00 62.33 N ATOM 0 H ASN A 50 7.416 11.170 -7.304 1.00 50.11 H new ATOM 0 HA ASN A 50 6.632 14.038 -7.365 1.00 40.10 H new ATOM 0 HB2 ASN A 50 5.152 11.697 -8.629 1.00 23.04 H new ATOM 0 HB3 ASN A 50 4.535 13.332 -8.496 1.00 23.04 H new ATOM 0 HD21 ASN A 50 7.499 14.235 -10.888 1.00 62.33 H new ATOM 0 HD22 ASN A 50 7.375 14.429 -9.136 1.00 62.33 H new ATOM 803 N GLY A 51 5.208 13.642 -5.277 1.00 11.32 N ATOM 804 CA GLY A 51 4.506 13.436 -4.001 1.00 3.21 C ATOM 805 C GLY A 51 3.060 13.014 -4.208 1.00 2.51 C ATOM 806 O GLY A 51 2.135 13.831 -4.124 1.00 24.01 O ATOM 0 H GLY A 51 5.392 14.622 -5.492 1.00 11.32 H new ATOM 0 HA2 GLY A 51 5.026 12.675 -3.420 1.00 3.21 H new ATOM 0 HA3 GLY A 51 4.535 14.357 -3.418 1.00 3.21 H new ATOM 810 N LYS A 52 2.878 11.724 -4.493 1.00 65.11 N ATOM 811 CA LYS A 52 1.594 11.158 -4.932 1.00 71.35 C ATOM 812 C LYS A 52 0.914 10.357 -3.799 1.00 42.42 C ATOM 813 O LYS A 52 1.606 9.725 -2.992 1.00 1.35 O ATOM 814 CB LYS A 52 1.824 10.274 -6.191 1.00 43.15 C ATOM 815 CG LYS A 52 2.912 9.176 -6.049 1.00 71.32 C ATOM 816 CD LYS A 52 3.113 8.366 -7.353 1.00 54.54 C ATOM 817 CE LYS A 52 3.506 9.241 -8.566 1.00 0.21 C ATOM 818 NZ LYS A 52 3.518 8.466 -9.842 1.00 41.03 N ATOM 0 H LYS A 52 3.624 11.032 -4.426 1.00 65.11 H new ATOM 0 HA LYS A 52 0.919 11.974 -5.190 1.00 71.35 H new ATOM 0 HB2 LYS A 52 0.881 9.794 -6.453 1.00 43.15 H new ATOM 0 HB3 LYS A 52 2.094 10.923 -7.024 1.00 43.15 H new ATOM 0 HG2 LYS A 52 3.856 9.640 -5.764 1.00 71.32 H new ATOM 0 HG3 LYS A 52 2.635 8.497 -5.243 1.00 71.32 H new ATOM 0 HD2 LYS A 52 3.887 7.616 -7.190 1.00 54.54 H new ATOM 0 HD3 LYS A 52 2.193 7.830 -7.584 1.00 54.54 H new ATOM 0 HE2 LYS A 52 2.806 10.072 -8.654 1.00 0.21 H new ATOM 0 HE3 LYS A 52 4.492 9.672 -8.396 1.00 0.21 H new ATOM 0 HZ1 LYS A 52 3.636 9.118 -10.643 1.00 41.03 H new ATOM 0 HZ2 LYS A 52 4.306 7.788 -9.829 1.00 41.03 H new ATOM 0 HZ3 LYS A 52 2.620 7.951 -9.944 1.00 41.03 H new ATOM 832 N PRO A 53 -0.458 10.403 -3.707 1.00 12.14 N ATOM 833 CA PRO A 53 -1.224 9.583 -2.738 1.00 52.51 C ATOM 834 C PRO A 53 -1.281 8.099 -3.178 1.00 3.13 C ATOM 835 O PRO A 53 -2.156 7.694 -3.959 1.00 43.01 O ATOM 836 CB PRO A 53 -2.620 10.254 -2.741 1.00 62.21 C ATOM 837 CG PRO A 53 -2.754 10.855 -4.111 1.00 33.02 C ATOM 838 CD PRO A 53 -1.359 11.276 -4.524 1.00 13.20 C ATOM 0 HA PRO A 53 -0.778 9.553 -1.744 1.00 52.51 H new ATOM 0 HB2 PRO A 53 -3.409 9.527 -2.549 1.00 62.21 H new ATOM 0 HB3 PRO A 53 -2.694 11.016 -1.966 1.00 62.21 H new ATOM 0 HG2 PRO A 53 -3.167 10.132 -4.815 1.00 33.02 H new ATOM 0 HG3 PRO A 53 -3.431 11.709 -4.097 1.00 33.02 H new ATOM 0 HD2 PRO A 53 -1.197 11.127 -5.592 1.00 13.20 H new ATOM 0 HD3 PRO A 53 -1.184 12.332 -4.319 1.00 13.20 H new ATOM 846 N LEU A 54 -0.314 7.307 -2.689 1.00 15.21 N ATOM 847 CA LEU A 54 -0.148 5.897 -3.102 1.00 74.43 C ATOM 848 C LEU A 54 -0.841 4.946 -2.120 1.00 42.54 C ATOM 849 O LEU A 54 -0.993 5.260 -0.948 1.00 63.41 O ATOM 850 CB LEU A 54 1.377 5.548 -3.277 1.00 31.12 C ATOM 851 CG LEU A 54 1.882 5.499 -4.757 1.00 65.24 C ATOM 852 CD1 LEU A 54 3.392 5.233 -4.860 1.00 14.43 C ATOM 853 CD2 LEU A 54 1.097 4.453 -5.557 1.00 20.33 C ATOM 0 H LEU A 54 0.372 7.619 -2.001 1.00 15.21 H new ATOM 0 HA LEU A 54 -0.632 5.764 -4.070 1.00 74.43 H new ATOM 0 HB2 LEU A 54 1.967 6.285 -2.733 1.00 31.12 H new ATOM 0 HB3 LEU A 54 1.568 4.581 -2.812 1.00 31.12 H new ATOM 0 HG LEU A 54 1.705 6.486 -5.185 1.00 65.24 H new ATOM 0 HD11 LEU A 54 3.687 5.210 -5.909 1.00 14.43 H new ATOM 0 HD12 LEU A 54 3.937 6.026 -4.348 1.00 14.43 H new ATOM 0 HD13 LEU A 54 3.625 4.275 -4.396 1.00 14.43 H new ATOM 0 HD21 LEU A 54 1.461 4.432 -6.584 1.00 20.33 H new ATOM 0 HD22 LEU A 54 1.233 3.471 -5.104 1.00 20.33 H new ATOM 0 HD23 LEU A 54 0.038 4.711 -5.553 1.00 20.33 H new ATOM 865 N VAL A 55 -1.292 3.788 -2.633 1.00 53.42 N ATOM 866 CA VAL A 55 -1.867 2.701 -1.816 1.00 64.22 C ATOM 867 C VAL A 55 -1.109 1.399 -2.143 1.00 11.41 C ATOM 868 O VAL A 55 -1.343 0.786 -3.188 1.00 41.13 O ATOM 869 CB VAL A 55 -3.415 2.518 -2.085 1.00 51.14 C ATOM 870 CG1 VAL A 55 -4.011 1.414 -1.183 1.00 41.04 C ATOM 871 CG2 VAL A 55 -4.187 3.851 -1.908 1.00 42.10 C ATOM 0 H VAL A 55 -1.268 3.577 -3.631 1.00 53.42 H new ATOM 0 HA VAL A 55 -1.757 2.953 -0.761 1.00 64.22 H new ATOM 0 HB VAL A 55 -3.529 2.206 -3.123 1.00 51.14 H new ATOM 0 HG11 VAL A 55 -5.076 1.311 -1.390 1.00 41.04 H new ATOM 0 HG12 VAL A 55 -3.509 0.468 -1.385 1.00 41.04 H new ATOM 0 HG13 VAL A 55 -3.869 1.683 -0.136 1.00 41.04 H new ATOM 0 HG21 VAL A 55 -5.247 3.686 -2.101 1.00 42.10 H new ATOM 0 HG22 VAL A 55 -4.056 4.215 -0.889 1.00 42.10 H new ATOM 0 HG23 VAL A 55 -3.801 4.591 -2.610 1.00 42.10 H new ATOM 881 N VAL A 56 -0.181 1.001 -1.255 1.00 0.24 N ATOM 882 CA VAL A 56 0.682 -0.183 -1.456 1.00 44.33 C ATOM 883 C VAL A 56 0.035 -1.457 -0.892 1.00 25.44 C ATOM 884 O VAL A 56 -0.082 -1.614 0.322 1.00 5.31 O ATOM 885 CB VAL A 56 2.090 0.037 -0.792 1.00 61.41 C ATOM 886 CG1 VAL A 56 2.979 -1.232 -0.856 1.00 71.34 C ATOM 887 CG2 VAL A 56 2.799 1.227 -1.452 1.00 73.24 C ATOM 0 H VAL A 56 -0.006 1.489 -0.377 1.00 0.24 H new ATOM 0 HA VAL A 56 0.809 -0.312 -2.531 1.00 44.33 H new ATOM 0 HB VAL A 56 1.925 0.253 0.264 1.00 61.41 H new ATOM 0 HG11 VAL A 56 3.940 -1.027 -0.384 1.00 71.34 H new ATOM 0 HG12 VAL A 56 2.484 -2.050 -0.332 1.00 71.34 H new ATOM 0 HG13 VAL A 56 3.139 -1.512 -1.897 1.00 71.34 H new ATOM 0 HG21 VAL A 56 3.774 1.373 -0.987 1.00 73.24 H new ATOM 0 HG22 VAL A 56 2.931 1.028 -2.516 1.00 73.24 H new ATOM 0 HG23 VAL A 56 2.197 2.126 -1.323 1.00 73.24 H new ATOM 897 N PHE A 57 -0.384 -2.349 -1.793 1.00 53.03 N ATOM 898 CA PHE A 57 -0.825 -3.702 -1.440 1.00 33.43 C ATOM 899 C PHE A 57 0.397 -4.638 -1.378 1.00 32.22 C ATOM 900 O PHE A 57 0.962 -4.977 -2.417 1.00 3.30 O ATOM 901 CB PHE A 57 -1.828 -4.209 -2.507 1.00 13.41 C ATOM 902 CG PHE A 57 -3.164 -3.476 -2.516 1.00 41.22 C ATOM 903 CD1 PHE A 57 -3.322 -2.266 -3.194 1.00 63.41 C ATOM 904 CD2 PHE A 57 -4.262 -3.993 -1.831 1.00 5.54 C ATOM 905 CE1 PHE A 57 -4.535 -1.608 -3.190 1.00 13.13 C ATOM 906 CE2 PHE A 57 -5.468 -3.332 -1.831 1.00 65.13 C ATOM 907 CZ PHE A 57 -5.605 -2.139 -2.506 1.00 15.43 C ATOM 0 H PHE A 57 -0.427 -2.153 -2.793 1.00 53.03 H new ATOM 0 HA PHE A 57 -1.314 -3.689 -0.466 1.00 33.43 H new ATOM 0 HB2 PHE A 57 -1.370 -4.116 -3.492 1.00 13.41 H new ATOM 0 HB3 PHE A 57 -2.011 -5.270 -2.340 1.00 13.41 H new ATOM 0 HD1 PHE A 57 -2.485 -1.840 -3.728 1.00 63.41 H new ATOM 0 HD2 PHE A 57 -4.165 -4.925 -1.293 1.00 5.54 H new ATOM 0 HE1 PHE A 57 -4.645 -0.676 -3.724 1.00 13.13 H new ATOM 0 HE2 PHE A 57 -6.311 -3.750 -1.300 1.00 65.13 H new ATOM 0 HZ PHE A 57 -6.552 -1.620 -2.499 1.00 15.43 H new ATOM 917 N VAL A 58 0.813 -5.047 -0.166 1.00 24.15 N ATOM 918 CA VAL A 58 1.915 -6.017 -0.006 1.00 45.33 C ATOM 919 C VAL A 58 1.357 -7.449 -0.117 1.00 53.32 C ATOM 920 O VAL A 58 0.574 -7.898 0.729 1.00 51.23 O ATOM 921 CB VAL A 58 2.730 -5.822 1.338 1.00 14.53 C ATOM 922 CG1 VAL A 58 3.538 -4.508 1.315 1.00 54.32 C ATOM 923 CG2 VAL A 58 1.837 -5.880 2.588 1.00 51.20 C ATOM 0 H VAL A 58 0.407 -4.724 0.712 1.00 24.15 H new ATOM 0 HA VAL A 58 2.629 -5.837 -0.810 1.00 45.33 H new ATOM 0 HB VAL A 58 3.424 -6.660 1.399 1.00 14.53 H new ATOM 0 HG11 VAL A 58 4.087 -4.402 2.251 1.00 54.32 H new ATOM 0 HG12 VAL A 58 4.241 -4.528 0.482 1.00 54.32 H new ATOM 0 HG13 VAL A 58 2.858 -3.665 1.196 1.00 54.32 H new ATOM 0 HG21 VAL A 58 2.449 -5.740 3.479 1.00 51.20 H new ATOM 0 HG22 VAL A 58 1.087 -5.091 2.536 1.00 51.20 H new ATOM 0 HG23 VAL A 58 1.341 -6.850 2.636 1.00 51.20 H new ATOM 933 N ASN A 59 1.727 -8.143 -1.210 1.00 20.52 N ATOM 934 CA ASN A 59 1.270 -9.517 -1.484 1.00 1.22 C ATOM 935 C ASN A 59 1.989 -10.513 -0.571 1.00 61.10 C ATOM 936 O ASN A 59 3.028 -11.076 -0.940 1.00 12.03 O ATOM 937 CB ASN A 59 1.437 -9.883 -2.988 1.00 12.21 C ATOM 938 CG ASN A 59 0.437 -9.161 -3.894 1.00 30.01 C ATOM 939 OD1 ASN A 59 0.007 -8.048 -3.607 1.00 53.02 O ATOM 940 ND2 ASN A 59 0.059 -9.790 -4.995 1.00 24.10 N ATOM 0 H ASN A 59 2.349 -7.767 -1.926 1.00 20.52 H new ATOM 0 HA ASN A 59 0.204 -9.573 -1.263 1.00 1.22 H new ATOM 0 HB2 ASN A 59 2.450 -9.637 -3.306 1.00 12.21 H new ATOM 0 HB3 ASN A 59 1.318 -10.960 -3.110 1.00 12.21 H new ATOM 0 HD21 ASN A 59 -0.606 -9.350 -5.631 1.00 24.10 H new ATOM 0 HD22 ASN A 59 0.433 -10.715 -5.208 1.00 24.10 H new ATOM 947 N GLY A 60 1.435 -10.668 0.655 1.00 12.41 N ATOM 948 CA GLY A 60 1.968 -11.579 1.668 1.00 15.00 C ATOM 949 C GLY A 60 3.437 -11.329 1.994 1.00 42.45 C ATOM 950 O GLY A 60 4.177 -12.272 2.310 1.00 65.11 O ATOM 0 H GLY A 60 0.605 -10.159 0.959 1.00 12.41 H new ATOM 0 HA2 GLY A 60 1.379 -11.481 2.580 1.00 15.00 H new ATOM 0 HA3 GLY A 60 1.850 -12.606 1.321 1.00 15.00 H new ATOM 954 N ALA A 61 3.865 -10.052 1.891 1.00 43.01 N ATOM 955 CA ALA A 61 5.264 -9.654 2.114 1.00 24.41 C ATOM 956 C ALA A 61 5.671 -9.900 3.573 1.00 14.42 C ATOM 957 O ALA A 61 4.846 -9.748 4.485 1.00 51.41 O ATOM 958 CB ALA A 61 5.480 -8.182 1.732 1.00 65.14 C ATOM 0 H ALA A 61 3.250 -9.274 1.652 1.00 43.01 H new ATOM 0 HA ALA A 61 5.898 -10.268 1.474 1.00 24.41 H new ATOM 0 HB1 ALA A 61 6.521 -7.910 1.905 1.00 65.14 H new ATOM 0 HB2 ALA A 61 5.238 -8.040 0.679 1.00 65.14 H new ATOM 0 HB3 ALA A 61 4.834 -7.550 2.341 1.00 65.14 H new ATOM 964 N SER A 62 6.941 -10.274 3.770 1.00 61.11 N ATOM 965 CA SER A 62 7.498 -10.585 5.093 1.00 14.45 C ATOM 966 C SER A 62 7.629 -9.310 5.936 1.00 40.52 C ATOM 967 O SER A 62 7.571 -8.185 5.406 1.00 53.53 O ATOM 968 CB SER A 62 8.871 -11.273 4.931 1.00 62.13 C ATOM 969 OG SER A 62 8.756 -12.461 4.170 1.00 54.15 O ATOM 0 H SER A 62 7.616 -10.370 3.011 1.00 61.11 H new ATOM 0 HA SER A 62 6.821 -11.264 5.612 1.00 14.45 H new ATOM 0 HB2 SER A 62 9.568 -10.591 4.444 1.00 62.13 H new ATOM 0 HB3 SER A 62 9.284 -11.504 5.913 1.00 62.13 H new ATOM 0 HG SER A 62 9.638 -12.878 4.079 1.00 54.15 H new ATOM 975 N GLN A 63 7.824 -9.507 7.248 1.00 3.22 N ATOM 976 CA GLN A 63 7.975 -8.417 8.222 1.00 65.54 C ATOM 977 C GLN A 63 9.191 -7.537 7.868 1.00 0.02 C ATOM 978 O GLN A 63 9.151 -6.338 8.088 1.00 2.21 O ATOM 979 CB GLN A 63 8.091 -8.993 9.665 1.00 20.25 C ATOM 980 CG GLN A 63 8.217 -7.950 10.805 1.00 75.32 C ATOM 981 CD GLN A 63 7.070 -6.926 10.850 1.00 43.10 C ATOM 982 OE1 GLN A 63 6.028 -7.161 11.464 1.00 4.30 O ATOM 983 NE2 GLN A 63 7.275 -5.763 10.248 1.00 41.44 N ATOM 0 H GLN A 63 7.882 -10.436 7.666 1.00 3.22 H new ATOM 0 HA GLN A 63 7.087 -7.786 8.182 1.00 65.54 H new ATOM 0 HB2 GLN A 63 7.214 -9.611 9.860 1.00 20.25 H new ATOM 0 HB3 GLN A 63 8.959 -9.651 9.704 1.00 20.25 H new ATOM 0 HG2 GLN A 63 8.259 -8.475 11.760 1.00 75.32 H new ATOM 0 HG3 GLN A 63 9.161 -7.417 10.692 1.00 75.32 H new ATOM 0 HE21 GLN A 63 8.147 -5.595 9.746 1.00 41.44 H new ATOM 0 HE22 GLN A 63 6.561 -5.036 10.286 1.00 41.44 H new ATOM 992 N ASN A 64 10.244 -8.148 7.276 1.00 52.10 N ATOM 993 CA ASN A 64 11.464 -7.428 6.838 1.00 43.25 C ATOM 994 C ASN A 64 11.155 -6.423 5.721 1.00 21.45 C ATOM 995 O ASN A 64 11.716 -5.333 5.708 1.00 20.30 O ATOM 996 CB ASN A 64 12.564 -8.419 6.368 1.00 41.42 C ATOM 997 CG ASN A 64 13.147 -9.258 7.503 1.00 51.10 C ATOM 998 OD1 ASN A 64 13.219 -8.815 8.653 1.00 50.44 O ATOM 999 ND2 ASN A 64 13.579 -10.474 7.188 1.00 73.13 N ATOM 0 H ASN A 64 10.272 -9.150 7.089 1.00 52.10 H new ATOM 0 HA ASN A 64 11.836 -6.877 7.702 1.00 43.25 H new ATOM 0 HB2 ASN A 64 12.145 -9.084 5.612 1.00 41.42 H new ATOM 0 HB3 ASN A 64 13.368 -7.859 5.890 1.00 41.42 H new ATOM 0 HD21 ASN A 64 13.985 -11.073 7.907 1.00 73.13 H new ATOM 0 HD22 ASN A 64 13.504 -10.809 6.227 1.00 73.13 H new ATOM 1006 N ASP A 65 10.251 -6.805 4.795 1.00 31.35 N ATOM 1007 CA ASP A 65 9.811 -5.923 3.682 1.00 54.44 C ATOM 1008 C ASP A 65 9.035 -4.721 4.235 1.00 15.44 C ATOM 1009 O ASP A 65 9.169 -3.595 3.749 1.00 73.42 O ATOM 1010 CB ASP A 65 8.929 -6.701 2.664 1.00 54.45 C ATOM 1011 CG ASP A 65 9.649 -7.918 2.060 1.00 44.15 C ATOM 1012 OD1 ASP A 65 10.721 -7.735 1.459 1.00 25.33 O ATOM 1013 OD2 ASP A 65 9.160 -9.061 2.186 1.00 42.20 O ATOM 0 H ASP A 65 9.806 -7.723 4.793 1.00 31.35 H new ATOM 0 HA ASP A 65 10.701 -5.568 3.161 1.00 54.44 H new ATOM 0 HB2 ASP A 65 8.017 -7.033 3.160 1.00 54.45 H new ATOM 0 HB3 ASP A 65 8.628 -6.027 1.862 1.00 54.45 H new ATOM 1018 N VAL A 66 8.232 -4.997 5.278 1.00 72.12 N ATOM 1019 CA VAL A 66 7.443 -3.987 5.996 1.00 22.11 C ATOM 1020 C VAL A 66 8.360 -3.087 6.852 1.00 62.30 C ATOM 1021 O VAL A 66 8.094 -1.895 6.996 1.00 75.15 O ATOM 1022 CB VAL A 66 6.339 -4.670 6.890 1.00 52.45 C ATOM 1023 CG1 VAL A 66 5.490 -3.623 7.654 1.00 33.53 C ATOM 1024 CG2 VAL A 66 5.443 -5.597 6.025 1.00 52.25 C ATOM 0 H VAL A 66 8.113 -5.940 5.648 1.00 72.12 H new ATOM 0 HA VAL A 66 6.941 -3.360 5.259 1.00 22.11 H new ATOM 0 HB VAL A 66 6.844 -5.279 7.640 1.00 52.45 H new ATOM 0 HG11 VAL A 66 4.740 -4.134 8.259 1.00 33.53 H new ATOM 0 HG12 VAL A 66 6.138 -3.032 8.302 1.00 33.53 H new ATOM 0 HG13 VAL A 66 4.994 -2.966 6.940 1.00 33.53 H new ATOM 0 HG21 VAL A 66 4.685 -6.062 6.655 1.00 52.25 H new ATOM 0 HG22 VAL A 66 4.957 -5.010 5.246 1.00 52.25 H new ATOM 0 HG23 VAL A 66 6.057 -6.371 5.565 1.00 52.25 H new ATOM 1034 N ASN A 67 9.459 -3.667 7.385 1.00 42.24 N ATOM 1035 CA ASN A 67 10.477 -2.912 8.155 1.00 20.51 C ATOM 1036 C ASN A 67 11.137 -1.899 7.230 1.00 24.44 C ATOM 1037 O ASN A 67 11.215 -0.726 7.560 1.00 34.42 O ATOM 1038 CB ASN A 67 11.567 -3.839 8.783 1.00 31.34 C ATOM 1039 CG ASN A 67 11.026 -4.801 9.840 1.00 72.23 C ATOM 1040 OD1 ASN A 67 10.024 -4.534 10.507 1.00 72.42 O ATOM 1041 ND2 ASN A 67 11.697 -5.931 10.007 1.00 3.03 N ATOM 0 H ASN A 67 9.665 -4.662 7.296 1.00 42.24 H new ATOM 0 HA ASN A 67 9.970 -2.414 8.981 1.00 20.51 H new ATOM 0 HB2 ASN A 67 12.041 -4.416 7.989 1.00 31.34 H new ATOM 0 HB3 ASN A 67 12.342 -3.219 9.233 1.00 31.34 H new ATOM 0 HD21 ASN A 67 11.388 -6.609 10.703 1.00 3.03 H new ATOM 0 HD22 ASN A 67 12.522 -6.123 9.439 1.00 3.03 H new ATOM 1048 N GLU A 68 11.550 -2.376 6.036 1.00 73.32 N ATOM 1049 CA GLU A 68 12.178 -1.540 5.001 1.00 13.13 C ATOM 1050 C GLU A 68 11.207 -0.491 4.460 1.00 61.22 C ATOM 1051 O GLU A 68 11.636 0.576 4.050 1.00 11.42 O ATOM 1052 CB GLU A 68 12.734 -2.412 3.841 1.00 72.54 C ATOM 1053 CG GLU A 68 13.853 -3.380 4.273 1.00 64.03 C ATOM 1054 CD GLU A 68 14.984 -2.677 5.050 1.00 3.24 C ATOM 1055 OE1 GLU A 68 15.832 -2.015 4.414 1.00 13.43 O ATOM 1056 OE2 GLU A 68 15.020 -2.765 6.301 1.00 41.20 O ATOM 0 H GLU A 68 11.455 -3.355 5.766 1.00 73.32 H new ATOM 0 HA GLU A 68 13.011 -1.016 5.470 1.00 13.13 H new ATOM 0 HB2 GLU A 68 11.916 -2.987 3.407 1.00 72.54 H new ATOM 0 HB3 GLU A 68 13.115 -1.758 3.057 1.00 72.54 H new ATOM 0 HG2 GLU A 68 13.426 -4.167 4.894 1.00 64.03 H new ATOM 0 HG3 GLU A 68 14.271 -3.863 3.389 1.00 64.03 H new ATOM 1063 N PHE A 69 9.900 -0.802 4.472 1.00 25.01 N ATOM 1064 CA PHE A 69 8.863 0.154 4.057 1.00 12.31 C ATOM 1065 C PHE A 69 8.829 1.336 5.031 1.00 74.44 C ATOM 1066 O PHE A 69 8.826 2.490 4.621 1.00 2.50 O ATOM 1067 CB PHE A 69 7.474 -0.528 3.971 1.00 4.24 C ATOM 1068 CG PHE A 69 6.421 0.344 3.301 1.00 63.30 C ATOM 1069 CD1 PHE A 69 6.263 0.319 1.914 1.00 51.32 C ATOM 1070 CD2 PHE A 69 5.601 1.203 4.039 1.00 22.22 C ATOM 1071 CE1 PHE A 69 5.329 1.113 1.293 1.00 33.00 C ATOM 1072 CE2 PHE A 69 4.668 1.997 3.412 1.00 2.22 C ATOM 1073 CZ PHE A 69 4.528 1.945 2.040 1.00 60.44 C ATOM 0 H PHE A 69 9.538 -1.709 4.765 1.00 25.01 H new ATOM 0 HA PHE A 69 9.109 0.522 3.061 1.00 12.31 H new ATOM 0 HB2 PHE A 69 7.568 -1.463 3.418 1.00 4.24 H new ATOM 0 HB3 PHE A 69 7.139 -0.784 4.976 1.00 4.24 H new ATOM 0 HD1 PHE A 69 6.885 -0.335 1.320 1.00 51.32 H new ATOM 0 HD2 PHE A 69 5.701 1.244 5.114 1.00 22.22 H new ATOM 0 HE1 PHE A 69 5.224 1.084 0.219 1.00 33.00 H new ATOM 0 HE2 PHE A 69 4.045 2.661 3.994 1.00 2.22 H new ATOM 0 HZ PHE A 69 3.787 2.560 1.551 1.00 60.44 H new ATOM 1083 N GLN A 70 8.831 1.005 6.325 1.00 45.23 N ATOM 1084 CA GLN A 70 8.763 1.986 7.410 1.00 25.52 C ATOM 1085 C GLN A 70 10.090 2.762 7.533 1.00 24.53 C ATOM 1086 O GLN A 70 10.070 3.945 7.848 1.00 14.14 O ATOM 1087 CB GLN A 70 8.397 1.264 8.730 1.00 22.13 C ATOM 1088 CG GLN A 70 7.047 0.522 8.661 1.00 4.34 C ATOM 1089 CD GLN A 70 6.718 -0.257 9.928 1.00 52.45 C ATOM 1090 OE1 GLN A 70 6.100 0.270 10.854 1.00 24.42 O ATOM 1091 NE2 GLN A 70 7.135 -1.514 9.984 1.00 40.11 N ATOM 0 H GLN A 70 8.880 0.040 6.651 1.00 45.23 H new ATOM 0 HA GLN A 70 7.987 2.719 7.189 1.00 25.52 H new ATOM 0 HB2 GLN A 70 9.184 0.551 8.977 1.00 22.13 H new ATOM 0 HB3 GLN A 70 8.362 1.994 9.539 1.00 22.13 H new ATOM 0 HG2 GLN A 70 6.253 1.245 8.472 1.00 4.34 H new ATOM 0 HG3 GLN A 70 7.061 -0.165 7.815 1.00 4.34 H new ATOM 0 HE21 GLN A 70 7.644 -1.918 9.198 1.00 40.11 H new ATOM 0 HE22 GLN A 70 6.947 -2.077 10.813 1.00 40.11 H new ATOM 1100 N ASN A 71 11.225 2.077 7.227 1.00 70.03 N ATOM 1101 CA ASN A 71 12.590 2.663 7.279 1.00 40.21 C ATOM 1102 C ASN A 71 12.751 3.708 6.185 1.00 1.02 C ATOM 1103 O ASN A 71 13.047 4.870 6.480 1.00 61.13 O ATOM 1104 CB ASN A 71 13.695 1.568 7.132 1.00 50.42 C ATOM 1105 CG ASN A 71 13.825 0.666 8.357 1.00 73.31 C ATOM 1106 OD1 ASN A 71 13.620 1.096 9.491 1.00 53.31 O ATOM 1107 ND2 ASN A 71 14.164 -0.589 8.141 1.00 0.23 N ATOM 0 H ASN A 71 11.217 1.099 6.936 1.00 70.03 H new ATOM 0 HA ASN A 71 12.711 3.133 8.255 1.00 40.21 H new ATOM 0 HB2 ASN A 71 13.472 0.953 6.260 1.00 50.42 H new ATOM 0 HB3 ASN A 71 14.653 2.053 6.944 1.00 50.42 H new ATOM 0 HD21 ASN A 71 14.263 -1.233 8.926 1.00 0.23 H new ATOM 0 HD22 ASN A 71 14.328 -0.916 7.189 1.00 0.23 H new ATOM 1114 N GLU A 72 12.524 3.280 4.924 1.00 72.54 N ATOM 1115 CA GLU A 72 12.616 4.157 3.746 1.00 3.22 C ATOM 1116 C GLU A 72 11.638 5.335 3.881 1.00 33.43 C ATOM 1117 O GLU A 72 12.005 6.465 3.607 1.00 44.23 O ATOM 1118 CB GLU A 72 12.365 3.364 2.430 1.00 14.33 C ATOM 1119 CG GLU A 72 13.397 2.239 2.135 1.00 4.41 C ATOM 1120 CD GLU A 72 14.784 2.723 1.654 1.00 71.13 C ATOM 1121 OE1 GLU A 72 15.514 3.387 2.420 1.00 51.03 O ATOM 1122 OE2 GLU A 72 15.180 2.395 0.516 1.00 10.22 O ATOM 0 H GLU A 72 12.272 2.317 4.699 1.00 72.54 H new ATOM 0 HA GLU A 72 13.629 4.556 3.695 1.00 3.22 H new ATOM 0 HB2 GLU A 72 11.370 2.921 2.474 1.00 14.33 H new ATOM 0 HB3 GLU A 72 12.365 4.065 1.595 1.00 14.33 H new ATOM 0 HG2 GLU A 72 13.531 1.646 3.040 1.00 4.41 H new ATOM 0 HG3 GLU A 72 12.980 1.575 1.378 1.00 4.41 H new ATOM 1129 N ALA A 73 10.419 5.066 4.382 1.00 54.52 N ATOM 1130 CA ALA A 73 9.383 6.103 4.551 1.00 31.34 C ATOM 1131 C ALA A 73 9.793 7.171 5.594 1.00 34.05 C ATOM 1132 O ALA A 73 9.660 8.356 5.328 1.00 62.23 O ATOM 1133 CB ALA A 73 8.031 5.469 4.905 1.00 61.41 C ATOM 0 H ALA A 73 10.126 4.135 4.678 1.00 54.52 H new ATOM 0 HA ALA A 73 9.279 6.618 3.596 1.00 31.34 H new ATOM 0 HB1 ALA A 73 7.282 6.252 5.025 1.00 61.41 H new ATOM 0 HB2 ALA A 73 7.725 4.794 4.106 1.00 61.41 H new ATOM 0 HB3 ALA A 73 8.124 4.910 5.836 1.00 61.41 H new ATOM 1139 N LYS A 74 10.341 6.751 6.762 1.00 13.04 N ATOM 1140 CA LYS A 74 10.686 7.705 7.851 1.00 43.12 C ATOM 1141 C LYS A 74 11.934 8.551 7.501 1.00 61.40 C ATOM 1142 O LYS A 74 12.027 9.710 7.910 1.00 64.31 O ATOM 1143 CB LYS A 74 10.821 6.983 9.240 1.00 64.31 C ATOM 1144 CG LYS A 74 11.907 5.870 9.367 1.00 1.55 C ATOM 1145 CD LYS A 74 13.351 6.374 9.634 1.00 3.02 C ATOM 1146 CE LYS A 74 13.505 7.041 11.007 1.00 70.53 C ATOM 1147 NZ LYS A 74 14.865 7.600 11.192 1.00 23.14 N ATOM 0 H LYS A 74 10.551 5.776 6.974 1.00 13.04 H new ATOM 0 HA LYS A 74 9.854 8.403 7.944 1.00 43.12 H new ATOM 0 HB2 LYS A 74 11.026 7.741 9.996 1.00 64.31 H new ATOM 0 HB3 LYS A 74 9.855 6.541 9.485 1.00 64.31 H new ATOM 0 HG2 LYS A 74 11.620 5.197 10.175 1.00 1.55 H new ATOM 0 HG3 LYS A 74 11.910 5.283 8.449 1.00 1.55 H new ATOM 0 HD2 LYS A 74 14.043 5.534 9.564 1.00 3.02 H new ATOM 0 HD3 LYS A 74 13.632 7.084 8.857 1.00 3.02 H new ATOM 0 HE2 LYS A 74 12.767 7.836 11.111 1.00 70.53 H new ATOM 0 HE3 LYS A 74 13.301 6.312 11.791 1.00 70.53 H new ATOM 0 HZ1 LYS A 74 14.934 8.043 12.130 1.00 23.14 H new ATOM 0 HZ2 LYS A 74 15.567 6.837 11.117 1.00 23.14 H new ATOM 0 HZ3 LYS A 74 15.050 8.313 10.458 1.00 23.14 H new ATOM 1161 N LYS A 75 12.891 7.972 6.742 1.00 61.44 N ATOM 1162 CA LYS A 75 14.127 8.692 6.350 1.00 51.42 C ATOM 1163 C LYS A 75 13.869 9.624 5.158 1.00 50.04 C ATOM 1164 O LYS A 75 14.513 10.667 5.031 1.00 2.42 O ATOM 1165 CB LYS A 75 15.290 7.709 6.045 1.00 5.13 C ATOM 1166 CG LYS A 75 15.032 6.723 4.891 1.00 55.23 C ATOM 1167 CD LYS A 75 16.223 5.764 4.633 1.00 24.20 C ATOM 1168 CE LYS A 75 17.209 6.298 3.580 1.00 24.31 C ATOM 1169 NZ LYS A 75 16.627 6.250 2.207 1.00 53.32 N ATOM 0 H LYS A 75 12.834 7.016 6.390 1.00 61.44 H new ATOM 0 HA LYS A 75 14.430 9.305 7.199 1.00 51.42 H new ATOM 0 HB2 LYS A 75 16.183 8.289 5.812 1.00 5.13 H new ATOM 0 HB3 LYS A 75 15.507 7.138 6.948 1.00 5.13 H new ATOM 0 HG2 LYS A 75 14.142 6.135 5.115 1.00 55.23 H new ATOM 0 HG3 LYS A 75 14.822 7.285 3.981 1.00 55.23 H new ATOM 0 HD2 LYS A 75 16.756 5.596 5.569 1.00 24.20 H new ATOM 0 HD3 LYS A 75 15.840 4.797 4.306 1.00 24.20 H new ATOM 0 HE2 LYS A 75 17.482 7.325 3.824 1.00 24.31 H new ATOM 0 HE3 LYS A 75 18.126 5.709 3.608 1.00 24.31 H new ATOM 0 HZ1 LYS A 75 17.393 6.183 1.507 1.00 53.32 H new ATOM 0 HZ2 LYS A 75 16.007 5.420 2.122 1.00 53.32 H new ATOM 0 HZ3 LYS A 75 16.075 7.114 2.034 1.00 53.32 H new ATOM 1183 N GLU A 76 12.926 9.229 4.281 1.00 1.45 N ATOM 1184 CA GLU A 76 12.476 10.065 3.156 1.00 72.20 C ATOM 1185 C GLU A 76 11.428 11.097 3.624 1.00 32.43 C ATOM 1186 O GLU A 76 11.163 12.073 2.920 1.00 42.51 O ATOM 1187 CB GLU A 76 11.894 9.188 2.016 1.00 13.10 C ATOM 1188 CG GLU A 76 12.902 8.240 1.312 1.00 20.51 C ATOM 1189 CD GLU A 76 14.122 8.953 0.700 1.00 73.45 C ATOM 1190 OE1 GLU A 76 13.936 9.875 -0.129 1.00 24.53 O ATOM 1191 OE2 GLU A 76 15.273 8.585 1.031 1.00 40.43 O ATOM 0 H GLU A 76 12.457 8.324 4.334 1.00 1.45 H new ATOM 0 HA GLU A 76 13.342 10.603 2.771 1.00 72.20 H new ATOM 0 HB2 GLU A 76 11.082 8.586 2.424 1.00 13.10 H new ATOM 0 HB3 GLU A 76 11.456 9.845 1.265 1.00 13.10 H new ATOM 0 HG2 GLU A 76 13.252 7.501 2.033 1.00 20.51 H new ATOM 0 HG3 GLU A 76 12.381 7.696 0.524 1.00 20.51 H new ATOM 1198 N GLY A 77 10.830 10.866 4.809 1.00 70.52 N ATOM 1199 CA GLY A 77 9.817 11.766 5.372 1.00 40.02 C ATOM 1200 C GLY A 77 8.411 11.535 4.814 1.00 54.11 C ATOM 1201 O GLY A 77 7.545 12.403 4.948 1.00 24.24 O ATOM 0 H GLY A 77 11.036 10.057 5.395 1.00 70.52 H new ATOM 0 HA2 GLY A 77 9.794 11.641 6.455 1.00 40.02 H new ATOM 0 HA3 GLY A 77 10.111 12.797 5.177 1.00 40.02 H new ATOM 1205 N VAL A 78 8.203 10.376 4.168 1.00 2.31 N ATOM 1206 CA VAL A 78 6.895 9.943 3.642 1.00 30.23 C ATOM 1207 C VAL A 78 5.965 9.523 4.801 1.00 34.50 C ATOM 1208 O VAL A 78 6.326 8.650 5.610 1.00 3.24 O ATOM 1209 CB VAL A 78 7.065 8.741 2.632 1.00 71.23 C ATOM 1210 CG1 VAL A 78 5.702 8.198 2.127 1.00 5.22 C ATOM 1211 CG2 VAL A 78 7.969 9.146 1.445 1.00 31.43 C ATOM 0 H VAL A 78 8.949 9.703 3.993 1.00 2.31 H new ATOM 0 HA VAL A 78 6.449 10.784 3.110 1.00 30.23 H new ATOM 0 HB VAL A 78 7.548 7.931 3.178 1.00 71.23 H new ATOM 0 HG11 VAL A 78 5.873 7.373 1.435 1.00 5.22 H new ATOM 0 HG12 VAL A 78 5.114 7.845 2.975 1.00 5.22 H new ATOM 0 HG13 VAL A 78 5.160 8.994 1.616 1.00 5.22 H new ATOM 0 HG21 VAL A 78 8.072 8.303 0.762 1.00 31.43 H new ATOM 0 HG22 VAL A 78 7.521 9.988 0.917 1.00 31.43 H new ATOM 0 HG23 VAL A 78 8.952 9.433 1.818 1.00 31.43 H new ATOM 1221 N SER A 79 4.788 10.170 4.874 1.00 71.11 N ATOM 1222 CA SER A 79 3.733 9.834 5.835 1.00 11.21 C ATOM 1223 C SER A 79 3.080 8.493 5.459 1.00 31.24 C ATOM 1224 O SER A 79 2.134 8.447 4.667 1.00 61.14 O ATOM 1225 CB SER A 79 2.686 10.977 5.876 1.00 51.44 C ATOM 1226 OG SER A 79 3.280 12.176 6.328 1.00 65.44 O ATOM 0 H SER A 79 4.544 10.947 4.260 1.00 71.11 H new ATOM 0 HA SER A 79 4.166 9.726 6.830 1.00 11.21 H new ATOM 0 HB2 SER A 79 2.262 11.126 4.883 1.00 51.44 H new ATOM 0 HB3 SER A 79 1.863 10.701 6.535 1.00 51.44 H new ATOM 0 HG SER A 79 2.607 12.888 6.347 1.00 65.44 H new ATOM 1232 N TYR A 80 3.633 7.394 6.001 1.00 70.43 N ATOM 1233 CA TYR A 80 3.102 6.045 5.770 1.00 61.13 C ATOM 1234 C TYR A 80 2.026 5.726 6.816 1.00 25.12 C ATOM 1235 O TYR A 80 2.120 6.181 7.962 1.00 1.13 O ATOM 1236 CB TYR A 80 4.245 4.986 5.782 1.00 11.33 C ATOM 1237 CG TYR A 80 4.857 4.679 7.168 1.00 12.13 C ATOM 1238 CD1 TYR A 80 5.884 5.464 7.706 1.00 51.33 C ATOM 1239 CD2 TYR A 80 4.392 3.606 7.942 1.00 53.41 C ATOM 1240 CE1 TYR A 80 6.421 5.189 8.950 1.00 74.31 C ATOM 1241 CE2 TYR A 80 4.923 3.335 9.187 1.00 4.32 C ATOM 1242 CZ TYR A 80 5.936 4.124 9.686 1.00 43.11 C ATOM 1243 OH TYR A 80 6.470 3.846 10.925 1.00 23.13 O ATOM 0 H TYR A 80 4.454 7.418 6.606 1.00 70.43 H new ATOM 0 HA TYR A 80 2.643 6.008 4.782 1.00 61.13 H new ATOM 0 HB2 TYR A 80 3.860 4.057 5.361 1.00 11.33 H new ATOM 0 HB3 TYR A 80 5.041 5.329 5.121 1.00 11.33 H new ATOM 0 HD1 TYR A 80 6.264 6.300 7.138 1.00 51.33 H new ATOM 0 HD2 TYR A 80 3.602 2.979 7.556 1.00 53.41 H new ATOM 0 HE1 TYR A 80 7.216 5.804 9.345 1.00 74.31 H new ATOM 0 HE2 TYR A 80 4.545 2.507 9.768 1.00 4.32 H new ATOM 0 HH TYR A 80 6.016 3.067 11.309 1.00 23.13 H new ATOM 1253 N ASP A 81 1.019 4.946 6.417 1.00 31.02 N ATOM 1254 CA ASP A 81 -0.071 4.512 7.304 1.00 60.21 C ATOM 1255 C ASP A 81 -0.307 3.015 7.093 1.00 64.34 C ATOM 1256 O ASP A 81 -0.533 2.583 5.969 1.00 73.32 O ATOM 1257 CB ASP A 81 -1.363 5.309 7.010 1.00 32.41 C ATOM 1258 CG ASP A 81 -2.522 4.940 7.959 1.00 0.43 C ATOM 1259 OD1 ASP A 81 -2.511 5.393 9.127 1.00 65.12 O ATOM 1260 OD2 ASP A 81 -3.439 4.197 7.554 1.00 24.32 O ATOM 0 H ASP A 81 0.933 4.594 5.464 1.00 31.02 H new ATOM 0 HA ASP A 81 0.206 4.699 8.341 1.00 60.21 H new ATOM 0 HB2 ASP A 81 -1.154 6.375 7.096 1.00 32.41 H new ATOM 0 HB3 ASP A 81 -1.671 5.127 5.980 1.00 32.41 H new ATOM 1265 N VAL A 82 -0.253 2.237 8.178 1.00 1.11 N ATOM 1266 CA VAL A 82 -0.366 0.769 8.122 1.00 15.43 C ATOM 1267 C VAL A 82 -1.831 0.341 8.333 1.00 32.03 C ATOM 1268 O VAL A 82 -2.498 0.808 9.260 1.00 14.31 O ATOM 1269 CB VAL A 82 0.571 0.073 9.179 1.00 14.45 C ATOM 1270 CG1 VAL A 82 0.480 -1.477 9.092 1.00 33.21 C ATOM 1271 CG2 VAL A 82 2.035 0.560 9.006 1.00 63.24 C ATOM 0 H VAL A 82 -0.130 2.603 9.122 1.00 1.11 H new ATOM 0 HA VAL A 82 -0.040 0.446 7.133 1.00 15.43 H new ATOM 0 HB VAL A 82 0.228 0.359 10.173 1.00 14.45 H new ATOM 0 HG11 VAL A 82 1.140 -1.923 9.836 1.00 33.21 H new ATOM 0 HG12 VAL A 82 -0.546 -1.792 9.282 1.00 33.21 H new ATOM 0 HG13 VAL A 82 0.782 -1.804 8.097 1.00 33.21 H new ATOM 0 HG21 VAL A 82 2.671 0.070 9.744 1.00 63.24 H new ATOM 0 HG22 VAL A 82 2.385 0.312 8.004 1.00 63.24 H new ATOM 0 HG23 VAL A 82 2.079 1.640 9.149 1.00 63.24 H new ATOM 1281 N LEU A 83 -2.299 -0.557 7.467 1.00 5.35 N ATOM 1282 CA LEU A 83 -3.672 -1.069 7.456 1.00 30.04 C ATOM 1283 C LEU A 83 -3.614 -2.605 7.487 1.00 1.02 C ATOM 1284 O LEU A 83 -3.386 -3.248 6.457 1.00 23.33 O ATOM 1285 CB LEU A 83 -4.391 -0.561 6.177 1.00 50.11 C ATOM 1286 CG LEU A 83 -5.867 -1.029 5.967 1.00 52.15 C ATOM 1287 CD1 LEU A 83 -6.805 -0.455 7.049 1.00 72.40 C ATOM 1288 CD2 LEU A 83 -6.349 -0.677 4.544 1.00 42.44 C ATOM 0 H LEU A 83 -1.718 -0.961 6.732 1.00 5.35 H new ATOM 0 HA LEU A 83 -4.230 -0.717 8.324 1.00 30.04 H new ATOM 0 HB2 LEU A 83 -4.379 0.529 6.190 1.00 50.11 H new ATOM 0 HB3 LEU A 83 -3.808 -0.876 5.311 1.00 50.11 H new ATOM 0 HG LEU A 83 -5.896 -2.114 6.071 1.00 52.15 H new ATOM 0 HD11 LEU A 83 -7.823 -0.802 6.870 1.00 72.40 H new ATOM 0 HD12 LEU A 83 -6.475 -0.791 8.032 1.00 72.40 H new ATOM 0 HD13 LEU A 83 -6.781 0.634 7.011 1.00 72.40 H new ATOM 0 HD21 LEU A 83 -7.379 -1.010 4.416 1.00 42.44 H new ATOM 0 HD22 LEU A 83 -6.296 0.402 4.398 1.00 42.44 H new ATOM 0 HD23 LEU A 83 -5.713 -1.174 3.811 1.00 42.44 H new ATOM 1300 N LYS A 84 -3.765 -3.187 8.684 1.00 65.44 N ATOM 1301 CA LYS A 84 -3.653 -4.643 8.884 1.00 23.54 C ATOM 1302 C LYS A 84 -5.062 -5.267 8.914 1.00 41.25 C ATOM 1303 O LYS A 84 -5.747 -5.211 9.947 1.00 41.31 O ATOM 1304 CB LYS A 84 -2.908 -4.924 10.215 1.00 1.50 C ATOM 1305 CG LYS A 84 -2.377 -6.368 10.382 1.00 70.34 C ATOM 1306 CD LYS A 84 -1.108 -6.643 9.551 1.00 31.04 C ATOM 1307 CE LYS A 84 0.076 -5.732 9.942 1.00 34.41 C ATOM 1308 NZ LYS A 84 0.364 -5.751 11.402 1.00 1.24 N ATOM 0 H LYS A 84 -3.967 -2.668 9.538 1.00 65.44 H new ATOM 0 HA LYS A 84 -3.089 -5.087 8.064 1.00 23.54 H new ATOM 0 HB2 LYS A 84 -2.068 -4.234 10.295 1.00 1.50 H new ATOM 0 HB3 LYS A 84 -3.582 -4.704 11.043 1.00 1.50 H new ATOM 0 HG2 LYS A 84 -2.162 -6.551 11.435 1.00 70.34 H new ATOM 0 HG3 LYS A 84 -3.156 -7.072 10.089 1.00 70.34 H new ATOM 0 HD2 LYS A 84 -0.815 -7.685 9.678 1.00 31.04 H new ATOM 0 HD3 LYS A 84 -1.334 -6.502 8.494 1.00 31.04 H new ATOM 0 HE2 LYS A 84 0.966 -6.047 9.397 1.00 34.41 H new ATOM 0 HE3 LYS A 84 -0.141 -4.710 9.633 1.00 34.41 H new ATOM 0 HZ1 LYS A 84 1.237 -5.218 11.591 1.00 1.24 H new ATOM 0 HZ2 LYS A 84 -0.427 -5.314 11.917 1.00 1.24 H new ATOM 0 HZ3 LYS A 84 0.483 -6.734 11.720 1.00 1.24 H new ATOM 1322 N SER A 85 -5.490 -5.839 7.775 1.00 70.11 N ATOM 1323 CA SER A 85 -6.843 -6.427 7.619 1.00 1.52 C ATOM 1324 C SER A 85 -6.866 -7.391 6.422 1.00 33.15 C ATOM 1325 O SER A 85 -5.994 -7.326 5.561 1.00 33.30 O ATOM 1326 CB SER A 85 -7.908 -5.319 7.413 1.00 10.41 C ATOM 1327 OG SER A 85 -8.026 -4.465 8.538 1.00 11.31 O ATOM 0 H SER A 85 -4.914 -5.909 6.936 1.00 70.11 H new ATOM 0 HA SER A 85 -7.081 -6.974 8.531 1.00 1.52 H new ATOM 0 HB2 SER A 85 -7.646 -4.726 6.537 1.00 10.41 H new ATOM 0 HB3 SER A 85 -8.874 -5.781 7.209 1.00 10.41 H new ATOM 0 HG SER A 85 -8.909 -4.039 8.534 1.00 11.31 H new ATOM 1333 N THR A 86 -7.875 -8.288 6.381 1.00 71.15 N ATOM 1334 CA THR A 86 -8.086 -9.234 5.260 1.00 44.14 C ATOM 1335 C THR A 86 -9.560 -9.218 4.791 1.00 52.42 C ATOM 1336 O THR A 86 -10.010 -10.147 4.113 1.00 43.33 O ATOM 1337 CB THR A 86 -7.658 -10.692 5.672 1.00 0.22 C ATOM 1338 OG1 THR A 86 -8.245 -11.040 6.936 1.00 55.21 O ATOM 1339 CG2 THR A 86 -6.126 -10.850 5.761 1.00 53.33 C ATOM 0 H THR A 86 -8.568 -8.378 7.124 1.00 71.15 H new ATOM 0 HA THR A 86 -7.459 -8.911 4.428 1.00 44.14 H new ATOM 0 HB THR A 86 -8.019 -11.363 4.892 1.00 0.22 H new ATOM 0 HG1 THR A 86 -7.975 -11.949 7.183 1.00 55.21 H new ATOM 0 HG21 THR A 86 -5.882 -11.873 6.048 1.00 53.33 H new ATOM 0 HG22 THR A 86 -5.681 -10.629 4.791 1.00 53.33 H new ATOM 0 HG23 THR A 86 -5.732 -10.160 6.507 1.00 53.33 H new ATOM 1347 N ASP A 87 -10.289 -8.137 5.131 1.00 73.04 N ATOM 1348 CA ASP A 87 -11.710 -7.948 4.745 1.00 61.22 C ATOM 1349 C ASP A 87 -11.775 -7.145 3.431 1.00 73.01 C ATOM 1350 O ASP A 87 -11.437 -5.964 3.446 1.00 73.34 O ATOM 1351 CB ASP A 87 -12.477 -7.199 5.866 1.00 42.23 C ATOM 1352 CG ASP A 87 -12.511 -7.970 7.190 1.00 70.35 C ATOM 1353 OD1 ASP A 87 -11.581 -7.822 8.006 1.00 1.02 O ATOM 1354 OD2 ASP A 87 -13.464 -8.745 7.415 1.00 41.14 O ATOM 0 H ASP A 87 -9.912 -7.366 5.682 1.00 73.04 H new ATOM 0 HA ASP A 87 -12.177 -8.922 4.600 1.00 61.22 H new ATOM 0 HB2 ASP A 87 -12.011 -6.227 6.030 1.00 42.23 H new ATOM 0 HB3 ASP A 87 -13.499 -7.011 5.536 1.00 42.23 H new ATOM 1359 N PRO A 88 -12.216 -7.757 2.277 1.00 30.42 N ATOM 1360 CA PRO A 88 -12.115 -7.123 0.936 1.00 51.54 C ATOM 1361 C PRO A 88 -12.867 -5.777 0.818 1.00 34.01 C ATOM 1362 O PRO A 88 -12.254 -4.763 0.474 1.00 72.13 O ATOM 1363 CB PRO A 88 -12.664 -8.200 -0.045 1.00 3.31 C ATOM 1364 CG PRO A 88 -13.447 -9.152 0.809 1.00 21.13 C ATOM 1365 CD PRO A 88 -12.823 -9.110 2.193 1.00 54.52 C ATOM 0 HA PRO A 88 -11.086 -6.842 0.714 1.00 51.54 H new ATOM 0 HB2 PRO A 88 -13.295 -7.749 -0.811 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -11.852 -8.712 -0.561 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -14.497 -8.862 0.849 1.00 21.13 H new ATOM 0 HG3 PRO A 88 -13.410 -10.161 0.398 1.00 21.13 H new ATOM 0 HD2 PRO A 88 -13.571 -9.260 2.972 1.00 54.52 H new ATOM 0 HD3 PRO A 88 -12.073 -9.891 2.316 1.00 54.52 H new ATOM 1373 N GLU A 89 -14.172 -5.766 1.147 1.00 35.12 N ATOM 1374 CA GLU A 89 -15.013 -4.550 1.023 1.00 72.00 C ATOM 1375 C GLU A 89 -14.536 -3.428 1.981 1.00 73.25 C ATOM 1376 O GLU A 89 -14.652 -2.235 1.670 1.00 22.43 O ATOM 1377 CB GLU A 89 -16.501 -4.889 1.287 1.00 3.41 C ATOM 1378 CG GLU A 89 -16.824 -5.316 2.736 1.00 24.41 C ATOM 1379 CD GLU A 89 -18.316 -5.621 2.950 1.00 51.24 C ATOM 1380 OE1 GLU A 89 -19.083 -4.694 3.271 1.00 52.44 O ATOM 1381 OE2 GLU A 89 -18.726 -6.783 2.769 1.00 23.53 O ATOM 0 H GLU A 89 -14.671 -6.582 1.501 1.00 35.12 H new ATOM 0 HA GLU A 89 -14.912 -4.181 0.002 1.00 72.00 H new ATOM 0 HB2 GLU A 89 -17.107 -4.018 1.037 1.00 3.41 H new ATOM 0 HB3 GLU A 89 -16.801 -5.691 0.612 1.00 3.41 H new ATOM 0 HG2 GLU A 89 -16.238 -6.199 2.989 1.00 24.41 H new ATOM 0 HG3 GLU A 89 -16.518 -4.524 3.420 1.00 24.41 H new ATOM 1388 N GLU A 90 -13.982 -3.847 3.141 1.00 14.31 N ATOM 1389 CA GLU A 90 -13.460 -2.936 4.169 1.00 51.11 C ATOM 1390 C GLU A 90 -12.185 -2.256 3.652 1.00 43.32 C ATOM 1391 O GLU A 90 -12.055 -1.041 3.728 1.00 64.30 O ATOM 1392 CB GLU A 90 -13.155 -3.707 5.470 1.00 72.14 C ATOM 1393 CG GLU A 90 -12.671 -2.823 6.641 1.00 41.34 C ATOM 1394 CD GLU A 90 -12.035 -3.629 7.780 1.00 75.53 C ATOM 1395 OE1 GLU A 90 -12.769 -4.221 8.598 1.00 74.22 O ATOM 1396 OE2 GLU A 90 -10.796 -3.674 7.862 1.00 70.34 O ATOM 0 H GLU A 90 -13.887 -4.833 3.386 1.00 14.31 H new ATOM 0 HA GLU A 90 -14.214 -2.179 4.385 1.00 51.11 H new ATOM 0 HB2 GLU A 90 -14.054 -4.239 5.781 1.00 72.14 H new ATOM 0 HB3 GLU A 90 -12.395 -4.460 5.261 1.00 72.14 H new ATOM 0 HG2 GLU A 90 -11.946 -2.100 6.267 1.00 41.34 H new ATOM 0 HG3 GLU A 90 -13.515 -2.255 7.033 1.00 41.34 H new ATOM 1403 N LEU A 91 -11.260 -3.064 3.097 1.00 63.21 N ATOM 1404 CA LEU A 91 -10.011 -2.562 2.504 1.00 62.31 C ATOM 1405 C LEU A 91 -10.325 -1.581 1.357 1.00 73.41 C ATOM 1406 O LEU A 91 -9.670 -0.562 1.228 1.00 24.40 O ATOM 1407 CB LEU A 91 -9.133 -3.733 1.982 1.00 40.23 C ATOM 1408 CG LEU A 91 -8.568 -4.726 3.047 1.00 43.44 C ATOM 1409 CD1 LEU A 91 -7.849 -5.912 2.372 1.00 31.32 C ATOM 1410 CD2 LEU A 91 -7.636 -4.011 4.039 1.00 14.21 C ATOM 0 H LEU A 91 -11.360 -4.078 3.049 1.00 63.21 H new ATOM 0 HA LEU A 91 -9.452 -2.037 3.279 1.00 62.31 H new ATOM 0 HB2 LEU A 91 -9.722 -4.305 1.265 1.00 40.23 H new ATOM 0 HB3 LEU A 91 -8.291 -3.308 1.435 1.00 40.23 H new ATOM 0 HG LEU A 91 -9.413 -5.121 3.611 1.00 43.44 H new ATOM 0 HD11 LEU A 91 -7.465 -6.588 3.136 1.00 31.32 H new ATOM 0 HD12 LEU A 91 -8.551 -6.448 1.734 1.00 31.32 H new ATOM 0 HD13 LEU A 91 -7.021 -5.540 1.768 1.00 31.32 H new ATOM 0 HD21 LEU A 91 -7.260 -4.729 4.767 1.00 14.21 H new ATOM 0 HD22 LEU A 91 -6.799 -3.570 3.498 1.00 14.21 H new ATOM 0 HD23 LEU A 91 -8.188 -3.226 4.556 1.00 14.21 H new ATOM 1422 N THR A 92 -11.378 -1.899 0.569 1.00 75.41 N ATOM 1423 CA THR A 92 -11.800 -1.090 -0.588 1.00 35.22 C ATOM 1424 C THR A 92 -12.337 0.293 -0.137 1.00 71.45 C ATOM 1425 O THR A 92 -12.072 1.314 -0.794 1.00 21.13 O ATOM 1426 CB THR A 92 -12.873 -1.853 -1.449 1.00 54.21 C ATOM 1427 OG1 THR A 92 -12.382 -3.160 -1.802 1.00 53.21 O ATOM 1428 CG2 THR A 92 -13.238 -1.100 -2.747 1.00 42.11 C ATOM 0 H THR A 92 -11.957 -2.725 0.721 1.00 75.41 H new ATOM 0 HA THR A 92 -10.923 -0.922 -1.213 1.00 35.22 H new ATOM 0 HB THR A 92 -13.770 -1.927 -0.835 1.00 54.21 H new ATOM 0 HG1 THR A 92 -12.337 -3.720 -0.999 1.00 53.21 H new ATOM 0 HG21 THR A 92 -13.982 -1.671 -3.302 1.00 42.11 H new ATOM 0 HG22 THR A 92 -13.645 -0.120 -2.497 1.00 42.11 H new ATOM 0 HG23 THR A 92 -12.345 -0.976 -3.359 1.00 42.11 H new ATOM 1436 N GLN A 93 -13.075 0.331 1.004 1.00 70.33 N ATOM 1437 CA GLN A 93 -13.580 1.601 1.559 1.00 14.01 C ATOM 1438 C GLN A 93 -12.458 2.378 2.276 1.00 2.15 C ATOM 1439 O GLN A 93 -12.524 3.603 2.383 1.00 50.42 O ATOM 1440 CB GLN A 93 -14.853 1.401 2.450 1.00 72.11 C ATOM 1441 CG GLN A 93 -14.697 0.628 3.786 1.00 4.12 C ATOM 1442 CD GLN A 93 -14.051 1.413 4.943 1.00 42.04 C ATOM 1443 OE1 GLN A 93 -14.273 2.723 4.997 1.00 72.53 O flip ATOM 1444 NE2 GLN A 93 -13.386 0.835 5.807 1.00 55.02 N flip ATOM 0 H GLN A 93 -13.327 -0.495 1.546 1.00 70.33 H new ATOM 0 HA GLN A 93 -13.908 2.218 0.722 1.00 14.01 H new ATOM 0 HB2 GLN A 93 -15.257 2.387 2.681 1.00 72.11 H new ATOM 0 HB3 GLN A 93 -15.601 0.883 1.850 1.00 72.11 H new ATOM 0 HG2 GLN A 93 -15.683 0.291 4.106 1.00 4.12 H new ATOM 0 HG3 GLN A 93 -14.100 -0.265 3.600 1.00 4.12 H new ATOM 0 HE21 GLN A 93 -13.230 -0.171 5.743 1.00 55.02 H new ATOM 0 HE22 GLN A 93 -12.992 1.363 6.586 1.00 55.02 H new ATOM 1453 N ARG A 94 -11.430 1.650 2.756 1.00 41.34 N ATOM 1454 CA ARG A 94 -10.221 2.259 3.348 1.00 53.45 C ATOM 1455 C ARG A 94 -9.378 2.949 2.262 1.00 12.03 C ATOM 1456 O ARG A 94 -8.808 4.005 2.515 1.00 35.20 O ATOM 1457 CB ARG A 94 -9.359 1.196 4.076 1.00 13.03 C ATOM 1458 CG ARG A 94 -9.975 0.611 5.365 1.00 34.11 C ATOM 1459 CD ARG A 94 -10.115 1.651 6.488 1.00 25.30 C ATOM 1460 NE ARG A 94 -10.575 1.037 7.746 1.00 74.53 N ATOM 1461 CZ ARG A 94 -10.955 1.711 8.839 1.00 0.34 C ATOM 1462 NH1 ARG A 94 -10.962 3.045 8.861 1.00 64.41 N ATOM 1463 NH2 ARG A 94 -11.308 1.043 9.925 1.00 44.52 N ATOM 0 H ARG A 94 -11.413 0.630 2.745 1.00 41.34 H new ATOM 0 HA ARG A 94 -10.548 3.001 4.076 1.00 53.45 H new ATOM 0 HB2 ARG A 94 -9.162 0.377 3.384 1.00 13.03 H new ATOM 0 HB3 ARG A 94 -8.396 1.642 4.324 1.00 13.03 H new ATOM 0 HG2 ARG A 94 -10.957 0.196 5.136 1.00 34.11 H new ATOM 0 HG3 ARG A 94 -9.355 -0.214 5.716 1.00 34.11 H new ATOM 0 HD2 ARG A 94 -9.155 2.141 6.652 1.00 25.30 H new ATOM 0 HD3 ARG A 94 -10.819 2.424 6.182 1.00 25.30 H new ATOM 0 HE ARG A 94 -10.606 0.018 7.788 1.00 74.53 H new ATOM 0 HH11 ARG A 94 -10.674 3.570 8.035 1.00 64.41 H new ATOM 0 HH12 ARG A 94 -11.255 3.540 9.704 1.00 64.41 H new ATOM 0 HH21 ARG A 94 -11.289 0.023 9.925 1.00 44.52 H new ATOM 0 HH22 ARG A 94 -11.599 1.548 10.762 1.00 44.52 H new ATOM 1477 N VAL A 95 -9.304 2.323 1.066 1.00 72.50 N ATOM 1478 CA VAL A 95 -8.564 2.870 -0.085 1.00 25.35 C ATOM 1479 C VAL A 95 -9.217 4.181 -0.551 1.00 71.31 C ATOM 1480 O VAL A 95 -8.536 5.189 -0.685 1.00 1.24 O ATOM 1481 CB VAL A 95 -8.486 1.838 -1.290 1.00 0.25 C ATOM 1482 CG1 VAL A 95 -7.857 2.471 -2.560 1.00 63.33 C ATOM 1483 CG2 VAL A 95 -7.699 0.567 -0.883 1.00 50.52 C ATOM 0 H VAL A 95 -9.755 1.428 0.876 1.00 72.50 H new ATOM 0 HA VAL A 95 -7.543 3.065 0.242 1.00 25.35 H new ATOM 0 HB VAL A 95 -9.511 1.557 -1.531 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -7.824 1.729 -3.358 1.00 63.33 H new ATOM 0 HG12 VAL A 95 -8.460 3.321 -2.880 1.00 63.33 H new ATOM 0 HG13 VAL A 95 -6.845 2.808 -2.336 1.00 63.33 H new ATOM 0 HG21 VAL A 95 -7.661 -0.123 -1.726 1.00 50.52 H new ATOM 0 HG22 VAL A 95 -6.685 0.844 -0.594 1.00 50.52 H new ATOM 0 HG23 VAL A 95 -8.197 0.085 -0.042 1.00 50.52 H new ATOM 1493 N ARG A 96 -10.551 4.158 -0.744 1.00 65.14 N ATOM 1494 CA ARG A 96 -11.293 5.318 -1.275 1.00 3.25 C ATOM 1495 C ARG A 96 -11.282 6.508 -0.281 1.00 33.42 C ATOM 1496 O ARG A 96 -11.176 7.675 -0.689 1.00 43.23 O ATOM 1497 CB ARG A 96 -12.739 4.909 -1.675 1.00 52.31 C ATOM 1498 CG ARG A 96 -13.705 4.585 -0.519 1.00 1.21 C ATOM 1499 CD ARG A 96 -15.096 4.122 -1.002 1.00 53.25 C ATOM 1500 NE ARG A 96 -15.076 2.774 -1.617 1.00 73.25 N ATOM 1501 CZ ARG A 96 -15.771 2.402 -2.714 1.00 12.50 C ATOM 1502 NH1 ARG A 96 -16.542 3.267 -3.377 1.00 55.34 N ATOM 1503 NH2 ARG A 96 -15.725 1.141 -3.110 1.00 50.23 N ATOM 0 H ARG A 96 -11.136 3.348 -0.540 1.00 65.14 H new ATOM 0 HA ARG A 96 -10.784 5.659 -2.176 1.00 3.25 H new ATOM 0 HB2 ARG A 96 -13.171 5.717 -2.265 1.00 52.31 H new ATOM 0 HB3 ARG A 96 -12.679 4.036 -2.325 1.00 52.31 H new ATOM 0 HG2 ARG A 96 -13.266 3.807 0.105 1.00 1.21 H new ATOM 0 HG3 ARG A 96 -13.821 5.469 0.108 1.00 1.21 H new ATOM 0 HD2 ARG A 96 -15.786 4.120 -0.158 1.00 53.25 H new ATOM 0 HD3 ARG A 96 -15.481 4.840 -1.726 1.00 53.25 H new ATOM 0 HE ARG A 96 -14.488 2.068 -1.175 1.00 73.25 H new ATOM 0 HH11 ARG A 96 -16.616 4.233 -3.058 1.00 55.34 H new ATOM 0 HH12 ARG A 96 -17.057 2.962 -4.203 1.00 55.34 H new ATOM 0 HH21 ARG A 96 -15.169 0.463 -2.589 1.00 50.23 H new ATOM 0 HH22 ARG A 96 -16.245 0.847 -3.937 1.00 50.23 H new ATOM 1517 N GLU A 97 -11.361 6.198 1.033 1.00 35.54 N ATOM 1518 CA GLU A 97 -11.298 7.213 2.104 1.00 42.11 C ATOM 1519 C GLU A 97 -9.861 7.678 2.360 1.00 33.31 C ATOM 1520 O GLU A 97 -9.650 8.789 2.864 1.00 3.51 O ATOM 1521 CB GLU A 97 -11.966 6.696 3.403 1.00 71.04 C ATOM 1522 CG GLU A 97 -13.505 6.679 3.344 1.00 45.13 C ATOM 1523 CD GLU A 97 -14.094 8.081 3.071 1.00 14.13 C ATOM 1524 OE1 GLU A 97 -14.150 8.909 4.003 1.00 5.32 O ATOM 1525 OE2 GLU A 97 -14.480 8.375 1.918 1.00 1.54 O ATOM 0 H GLU A 97 -11.469 5.244 1.377 1.00 35.54 H new ATOM 0 HA GLU A 97 -11.861 8.082 1.764 1.00 42.11 H new ATOM 0 HB2 GLU A 97 -11.608 5.687 3.608 1.00 71.04 H new ATOM 0 HB3 GLU A 97 -11.650 7.322 4.237 1.00 71.04 H new ATOM 0 HG2 GLU A 97 -13.829 5.992 2.562 1.00 45.13 H new ATOM 0 HG3 GLU A 97 -13.899 6.298 4.286 1.00 45.13 H new ATOM 1532 N PHE A 98 -8.878 6.841 2.002 1.00 43.44 N ATOM 1533 CA PHE A 98 -7.473 7.248 2.040 1.00 11.12 C ATOM 1534 C PHE A 98 -7.225 8.302 0.951 1.00 15.35 C ATOM 1535 O PHE A 98 -6.635 9.334 1.215 1.00 24.52 O ATOM 1536 CB PHE A 98 -6.512 6.050 1.851 1.00 41.15 C ATOM 1537 CG PHE A 98 -5.054 6.484 1.834 1.00 55.15 C ATOM 1538 CD1 PHE A 98 -4.408 6.825 3.023 1.00 4.12 C ATOM 1539 CD2 PHE A 98 -4.348 6.617 0.631 1.00 2.35 C ATOM 1540 CE1 PHE A 98 -3.112 7.277 3.009 1.00 13.45 C ATOM 1541 CE2 PHE A 98 -3.051 7.064 0.626 1.00 70.34 C ATOM 1542 CZ PHE A 98 -2.440 7.398 1.811 1.00 10.20 C ATOM 0 H PHE A 98 -9.032 5.884 1.685 1.00 43.44 H new ATOM 0 HA PHE A 98 -7.269 7.668 3.025 1.00 11.12 H new ATOM 0 HB2 PHE A 98 -6.667 5.331 2.656 1.00 41.15 H new ATOM 0 HB3 PHE A 98 -6.749 5.539 0.918 1.00 41.15 H new ATOM 0 HD1 PHE A 98 -4.932 6.732 3.963 1.00 4.12 H new ATOM 0 HD2 PHE A 98 -4.830 6.365 -0.302 1.00 2.35 H new ATOM 0 HE1 PHE A 98 -2.620 7.537 3.934 1.00 13.45 H new ATOM 0 HE2 PHE A 98 -2.512 7.153 -0.306 1.00 70.34 H new ATOM 0 HZ PHE A 98 -1.422 7.759 1.804 1.00 10.20 H new ATOM 1552 N LEU A 99 -7.697 8.004 -0.268 1.00 23.05 N ATOM 1553 CA LEU A 99 -7.577 8.900 -1.433 1.00 15.13 C ATOM 1554 C LEU A 99 -8.368 10.207 -1.198 1.00 33.43 C ATOM 1555 O LEU A 99 -8.038 11.248 -1.765 1.00 42.52 O ATOM 1556 CB LEU A 99 -8.077 8.155 -2.700 1.00 24.02 C ATOM 1557 CG LEU A 99 -7.304 6.837 -3.054 1.00 63.21 C ATOM 1558 CD1 LEU A 99 -8.061 5.999 -4.111 1.00 52.33 C ATOM 1559 CD2 LEU A 99 -5.850 7.138 -3.495 1.00 62.33 C ATOM 0 H LEU A 99 -8.177 7.129 -0.477 1.00 23.05 H new ATOM 0 HA LEU A 99 -6.532 9.176 -1.577 1.00 15.13 H new ATOM 0 HB2 LEU A 99 -9.131 7.913 -2.566 1.00 24.02 H new ATOM 0 HB3 LEU A 99 -8.011 8.834 -3.550 1.00 24.02 H new ATOM 0 HG LEU A 99 -7.251 6.235 -2.147 1.00 63.21 H new ATOM 0 HD11 LEU A 99 -7.495 5.094 -4.331 1.00 52.33 H new ATOM 0 HD12 LEU A 99 -9.044 5.728 -3.725 1.00 52.33 H new ATOM 0 HD13 LEU A 99 -8.178 6.584 -5.023 1.00 52.33 H new ATOM 0 HD21 LEU A 99 -5.341 6.204 -3.733 1.00 62.33 H new ATOM 0 HD22 LEU A 99 -5.862 7.779 -4.376 1.00 62.33 H new ATOM 0 HD23 LEU A 99 -5.322 7.643 -2.686 1.00 62.33 H new ATOM 1571 N LYS A 100 -9.416 10.117 -0.347 1.00 52.34 N ATOM 1572 CA LYS A 100 -10.209 11.276 0.102 1.00 12.24 C ATOM 1573 C LYS A 100 -9.342 12.252 0.937 1.00 62.13 C ATOM 1574 O LYS A 100 -9.215 13.426 0.587 1.00 23.32 O ATOM 1575 CB LYS A 100 -11.419 10.776 0.944 1.00 52.23 C ATOM 1576 CG LYS A 100 -12.394 11.875 1.440 1.00 51.23 C ATOM 1577 CD LYS A 100 -13.186 12.554 0.300 1.00 63.25 C ATOM 1578 CE LYS A 100 -14.066 11.565 -0.486 1.00 42.25 C ATOM 1579 NZ LYS A 100 -15.023 10.840 0.393 1.00 61.04 N ATOM 0 H LYS A 100 -9.734 9.232 0.047 1.00 52.34 H new ATOM 0 HA LYS A 100 -10.570 11.815 -0.774 1.00 12.24 H new ATOM 0 HB2 LYS A 100 -11.982 10.059 0.346 1.00 52.23 H new ATOM 0 HB3 LYS A 100 -11.037 10.237 1.811 1.00 52.23 H new ATOM 0 HG2 LYS A 100 -13.096 11.435 2.148 1.00 51.23 H new ATOM 0 HG3 LYS A 100 -11.829 12.634 1.982 1.00 51.23 H new ATOM 0 HD2 LYS A 100 -13.815 13.340 0.719 1.00 63.25 H new ATOM 0 HD3 LYS A 100 -12.488 13.036 -0.385 1.00 63.25 H new ATOM 0 HE2 LYS A 100 -14.619 12.105 -1.254 1.00 42.25 H new ATOM 0 HE3 LYS A 100 -13.430 10.844 -0.999 1.00 42.25 H new ATOM 0 HZ1 LYS A 100 -15.842 10.530 -0.167 1.00 61.04 H new ATOM 0 HZ2 LYS A 100 -14.553 10.010 0.808 1.00 61.04 H new ATOM 0 HZ3 LYS A 100 -15.344 11.473 1.154 1.00 61.04 H new ATOM 1593 N THR A 101 -8.727 11.735 2.029 1.00 23.20 N ATOM 1594 CA THR A 101 -7.903 12.559 2.957 1.00 41.31 C ATOM 1595 C THR A 101 -6.549 12.956 2.326 1.00 52.23 C ATOM 1596 O THR A 101 -6.013 14.028 2.614 1.00 24.22 O ATOM 1597 CB THR A 101 -7.671 11.841 4.340 1.00 61.24 C ATOM 1598 OG1 THR A 101 -6.781 12.606 5.178 1.00 74.33 O ATOM 1599 CG2 THR A 101 -7.104 10.422 4.179 1.00 3.32 C ATOM 0 H THR A 101 -8.784 10.751 2.291 1.00 23.20 H new ATOM 0 HA THR A 101 -8.472 13.470 3.143 1.00 41.31 H new ATOM 0 HB THR A 101 -8.652 11.768 4.810 1.00 61.24 H new ATOM 0 HG1 THR A 101 -6.654 12.141 6.031 1.00 74.33 H new ATOM 0 HG21 THR A 101 -6.963 9.973 5.162 1.00 3.32 H new ATOM 0 HG22 THR A 101 -7.800 9.816 3.599 1.00 3.32 H new ATOM 0 HG23 THR A 101 -6.146 10.470 3.661 1.00 3.32 H new ATOM 1607 N ALA A 102 -6.022 12.091 1.448 1.00 63.13 N ATOM 1608 CA ALA A 102 -4.730 12.308 0.771 1.00 51.23 C ATOM 1609 C ALA A 102 -4.896 13.233 -0.453 1.00 61.02 C ATOM 1610 O ALA A 102 -3.908 13.771 -0.964 1.00 4.40 O ATOM 1611 CB ALA A 102 -4.106 10.963 0.383 1.00 70.24 C ATOM 0 H ALA A 102 -6.479 11.218 1.185 1.00 63.13 H new ATOM 0 HA ALA A 102 -4.052 12.808 1.462 1.00 51.23 H new ATOM 0 HB1 ALA A 102 -3.152 11.135 -0.116 1.00 70.24 H new ATOM 0 HB2 ALA A 102 -3.944 10.365 1.280 1.00 70.24 H new ATOM 0 HB3 ALA A 102 -4.778 10.431 -0.291 1.00 70.24 H new