USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 793 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 62 SER OG : rot -33:sc= 0.427 USER MOD Set 1.2: A 64 ASN : amide:sc= 0 X(o=0.43,f=0.093) USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= 0.165 F(o=-0.35,f=0.2) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0344 K(o=0.2,f=-0.56) USER MOD Set 3.1: A 26 TYR OH : rot 90:sc= -0.0117 USER MOD Set 3.2: A 100 LYS NZ :NH3+ -171:sc=-0.00898 (180deg=-0.105) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -1.1 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 13 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 16 SER OG : rot -66:sc= 0.209 USER MOD Single : A 17 SER OG : rot 73:sc= 0.8 USER MOD Single : A 19 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.268 X(o=0.27,f=-0.013) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -22:sc= 0.0823 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0397 USER MOD Single : A 37 SER OG : rot -98:sc= 0.753 USER MOD Single : A 38 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.037) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -146:sc= 0 (180deg=-1.37) USER MOD Single : A 48 LYS NZ :NH3+ -115:sc= 1.23 (180deg=-0.145) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0695 K(o=-0.069,f=-2.4!) USER MOD Single : A 70 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.43) USER MOD Single : A 71 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc=-0.00526 (180deg=-0.0717) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0645 USER MOD Single : A 84 LYS NZ :NH3+ 142:sc= -0.253 (180deg=-1.9!) USER MOD Single : A 85 SER OG : rot 152:sc= 0.619 USER MOD Single : A 86 THR OG1 : rot 44:sc= 0.537 USER MOD Single : A 92 THR OG1 : rot 86:sc= 1.32 USER MOD Single : A 93 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.023) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 5.941 3.425 12.199 1.00 44.55 N ATOM 21 CA GLY A 2 5.213 2.426 11.410 1.00 30.11 C ATOM 22 C GLY A 2 4.004 2.999 10.684 1.00 0.14 C ATOM 23 O GLY A 2 2.893 3.022 11.230 1.00 12.45 O ATOM 0 HA2 GLY A 2 5.891 1.985 10.680 1.00 30.11 H new ATOM 0 HA3 GLY A 2 4.886 1.621 12.068 1.00 30.11 H new ATOM 27 N LYS A 3 4.215 3.438 9.437 1.00 70.11 N ATOM 28 CA LYS A 3 3.171 4.073 8.610 1.00 70.11 C ATOM 29 C LYS A 3 3.129 3.420 7.225 1.00 51.45 C ATOM 30 O LYS A 3 4.170 3.099 6.670 1.00 64.43 O ATOM 31 CB LYS A 3 3.462 5.580 8.478 1.00 4.32 C ATOM 32 CG LYS A 3 2.461 6.370 7.616 1.00 33.44 C ATOM 33 CD LYS A 3 2.858 7.853 7.462 1.00 4.25 C ATOM 34 CE LYS A 3 2.921 8.601 8.795 1.00 53.23 C ATOM 35 NZ LYS A 3 3.134 10.055 8.585 1.00 31.11 N ATOM 0 H LYS A 3 5.118 3.364 8.967 1.00 70.11 H new ATOM 0 HA LYS A 3 2.201 3.937 9.089 1.00 70.11 H new ATOM 0 HB2 LYS A 3 3.482 6.018 9.476 1.00 4.32 H new ATOM 0 HB3 LYS A 3 4.459 5.705 8.055 1.00 4.32 H new ATOM 0 HG2 LYS A 3 2.394 5.911 6.630 1.00 33.44 H new ATOM 0 HG3 LYS A 3 1.470 6.307 8.065 1.00 33.44 H new ATOM 0 HD2 LYS A 3 3.830 7.913 6.972 1.00 4.25 H new ATOM 0 HD3 LYS A 3 2.140 8.349 6.808 1.00 4.25 H new ATOM 0 HE2 LYS A 3 1.995 8.443 9.348 1.00 53.23 H new ATOM 0 HE3 LYS A 3 3.729 8.197 9.404 1.00 53.23 H new ATOM 0 HZ1 LYS A 3 3.173 10.537 9.506 1.00 31.11 H new ATOM 0 HZ2 LYS A 3 4.030 10.205 8.078 1.00 31.11 H new ATOM 0 HZ3 LYS A 3 2.349 10.443 8.024 1.00 31.11 H new ATOM 49 N VAL A 4 1.910 3.235 6.678 1.00 41.12 N ATOM 50 CA VAL A 4 1.699 2.622 5.346 1.00 61.33 C ATOM 51 C VAL A 4 1.195 3.677 4.334 1.00 12.21 C ATOM 52 O VAL A 4 0.506 4.622 4.706 1.00 54.41 O ATOM 53 CB VAL A 4 0.652 1.442 5.408 1.00 63.34 C ATOM 54 CG1 VAL A 4 0.584 0.678 4.063 1.00 14.02 C ATOM 55 CG2 VAL A 4 0.945 0.475 6.576 1.00 71.44 C ATOM 0 H VAL A 4 1.044 3.505 7.145 1.00 41.12 H new ATOM 0 HA VAL A 4 2.662 2.226 5.023 1.00 61.33 H new ATOM 0 HB VAL A 4 -0.324 1.891 5.591 1.00 63.34 H new ATOM 0 HG11 VAL A 4 -0.146 -0.128 4.139 1.00 14.02 H new ATOM 0 HG12 VAL A 4 0.286 1.364 3.270 1.00 14.02 H new ATOM 0 HG13 VAL A 4 1.564 0.260 3.832 1.00 14.02 H new ATOM 0 HG21 VAL A 4 0.202 -0.322 6.583 1.00 71.44 H new ATOM 0 HG22 VAL A 4 1.938 0.044 6.451 1.00 71.44 H new ATOM 0 HG23 VAL A 4 0.902 1.020 7.519 1.00 71.44 H new ATOM 65 N LEU A 5 1.575 3.504 3.060 1.00 52.43 N ATOM 66 CA LEU A 5 0.965 4.197 1.923 1.00 34.53 C ATOM 67 C LEU A 5 0.054 3.193 1.202 1.00 1.15 C ATOM 68 O LEU A 5 0.537 2.213 0.622 1.00 50.22 O ATOM 69 CB LEU A 5 2.053 4.731 0.960 1.00 53.44 C ATOM 70 CG LEU A 5 1.529 5.502 -0.297 1.00 24.42 C ATOM 71 CD1 LEU A 5 0.749 6.776 0.097 1.00 55.11 C ATOM 72 CD2 LEU A 5 2.681 5.819 -1.274 1.00 75.14 C ATOM 0 H LEU A 5 2.326 2.869 2.790 1.00 52.43 H new ATOM 0 HA LEU A 5 0.388 5.055 2.269 1.00 34.53 H new ATOM 0 HB2 LEU A 5 2.714 5.393 1.520 1.00 53.44 H new ATOM 0 HB3 LEU A 5 2.657 3.889 0.621 1.00 53.44 H new ATOM 0 HG LEU A 5 0.827 4.848 -0.815 1.00 24.42 H new ATOM 0 HD11 LEU A 5 0.402 7.283 -0.803 1.00 55.11 H new ATOM 0 HD12 LEU A 5 -0.108 6.502 0.713 1.00 55.11 H new ATOM 0 HD13 LEU A 5 1.402 7.443 0.660 1.00 55.11 H new ATOM 0 HD21 LEU A 5 2.288 6.355 -2.138 1.00 75.14 H new ATOM 0 HD22 LEU A 5 3.425 6.437 -0.771 1.00 75.14 H new ATOM 0 HD23 LEU A 5 3.145 4.889 -1.604 1.00 75.14 H new ATOM 84 N LEU A 6 -1.254 3.421 1.268 1.00 13.43 N ATOM 85 CA LEU A 6 -2.262 2.525 0.696 1.00 32.20 C ATOM 86 C LEU A 6 -2.526 2.949 -0.761 1.00 43.10 C ATOM 87 O LEU A 6 -3.288 3.883 -1.006 1.00 53.32 O ATOM 88 CB LEU A 6 -3.558 2.593 1.559 1.00 63.45 C ATOM 89 CG LEU A 6 -4.686 1.571 1.211 1.00 73.13 C ATOM 90 CD1 LEU A 6 -4.213 0.119 1.439 1.00 22.04 C ATOM 91 CD2 LEU A 6 -5.982 1.882 2.003 1.00 55.03 C ATOM 0 H LEU A 6 -1.652 4.242 1.725 1.00 13.43 H new ATOM 0 HA LEU A 6 -1.913 1.493 0.698 1.00 32.20 H new ATOM 0 HB2 LEU A 6 -3.280 2.450 2.603 1.00 63.45 H new ATOM 0 HB3 LEU A 6 -3.971 3.598 1.474 1.00 63.45 H new ATOM 0 HG LEU A 6 -4.918 1.674 0.151 1.00 73.13 H new ATOM 0 HD11 LEU A 6 -5.020 -0.570 1.188 1.00 22.04 H new ATOM 0 HD12 LEU A 6 -3.350 -0.086 0.805 1.00 22.04 H new ATOM 0 HD13 LEU A 6 -3.935 -0.013 2.485 1.00 22.04 H new ATOM 0 HD21 LEU A 6 -6.751 1.155 1.742 1.00 55.03 H new ATOM 0 HD22 LEU A 6 -5.777 1.825 3.072 1.00 55.03 H new ATOM 0 HD23 LEU A 6 -6.330 2.884 1.753 1.00 55.03 H new ATOM 103 N VAL A 7 -1.857 2.279 -1.715 1.00 42.32 N ATOM 104 CA VAL A 7 -1.950 2.600 -3.153 1.00 52.12 C ATOM 105 C VAL A 7 -3.125 1.825 -3.779 1.00 4.03 C ATOM 106 O VAL A 7 -3.078 0.601 -3.917 1.00 12.31 O ATOM 107 CB VAL A 7 -0.609 2.251 -3.911 1.00 52.33 C ATOM 108 CG1 VAL A 7 -0.733 2.471 -5.443 1.00 41.12 C ATOM 109 CG2 VAL A 7 0.574 3.055 -3.325 1.00 30.42 C ATOM 0 H VAL A 7 -1.234 1.497 -1.512 1.00 42.32 H new ATOM 0 HA VAL A 7 -2.120 3.672 -3.253 1.00 52.12 H new ATOM 0 HB VAL A 7 -0.412 1.190 -3.758 1.00 52.33 H new ATOM 0 HG11 VAL A 7 0.212 2.219 -5.924 1.00 41.12 H new ATOM 0 HG12 VAL A 7 -1.524 1.834 -5.839 1.00 41.12 H new ATOM 0 HG13 VAL A 7 -0.975 3.515 -5.642 1.00 41.12 H new ATOM 0 HG21 VAL A 7 1.488 2.800 -3.861 1.00 30.42 H new ATOM 0 HG22 VAL A 7 0.377 4.122 -3.431 1.00 30.42 H new ATOM 0 HG23 VAL A 7 0.692 2.811 -2.269 1.00 30.42 H new ATOM 119 N ILE A 8 -4.178 2.567 -4.132 1.00 34.14 N ATOM 120 CA ILE A 8 -5.429 2.026 -4.688 1.00 0.21 C ATOM 121 C ILE A 8 -5.547 2.471 -6.156 1.00 63.54 C ATOM 122 O ILE A 8 -5.341 3.654 -6.463 1.00 71.21 O ATOM 123 CB ILE A 8 -6.665 2.557 -3.862 1.00 52.31 C ATOM 124 CG1 ILE A 8 -6.436 2.325 -2.336 1.00 30.44 C ATOM 125 CG2 ILE A 8 -7.998 1.913 -4.333 1.00 14.43 C ATOM 126 CD1 ILE A 8 -7.447 2.996 -1.434 1.00 1.43 C ATOM 0 H ILE A 8 -4.189 3.583 -4.039 1.00 34.14 H new ATOM 0 HA ILE A 8 -5.418 0.938 -4.630 1.00 0.21 H new ATOM 0 HB ILE A 8 -6.750 3.629 -4.042 1.00 52.31 H new ATOM 0 HG12 ILE A 8 -6.450 1.253 -2.140 1.00 30.44 H new ATOM 0 HG13 ILE A 8 -5.441 2.684 -2.073 1.00 30.44 H new ATOM 0 HG21 ILE A 8 -8.822 2.306 -3.738 1.00 14.43 H new ATOM 0 HG22 ILE A 8 -8.164 2.148 -5.384 1.00 14.43 H new ATOM 0 HG23 ILE A 8 -7.944 0.832 -4.208 1.00 14.43 H new ATOM 0 HD11 ILE A 8 -7.207 2.779 -0.393 1.00 1.43 H new ATOM 0 HD12 ILE A 8 -7.420 4.074 -1.595 1.00 1.43 H new ATOM 0 HD13 ILE A 8 -8.444 2.620 -1.662 1.00 1.43 H new ATOM 138 N SER A 9 -5.867 1.526 -7.047 1.00 31.24 N ATOM 139 CA SER A 9 -6.024 1.788 -8.484 1.00 54.21 C ATOM 140 C SER A 9 -6.938 0.717 -9.092 1.00 25.13 C ATOM 141 O SER A 9 -6.880 -0.449 -8.691 1.00 52.04 O ATOM 142 CB SER A 9 -4.635 1.784 -9.174 1.00 21.10 C ATOM 143 OG SER A 9 -4.721 2.022 -10.572 1.00 55.05 O ATOM 0 H SER A 9 -6.026 0.552 -6.791 1.00 31.24 H new ATOM 0 HA SER A 9 -6.477 2.768 -8.636 1.00 54.21 H new ATOM 0 HB2 SER A 9 -4.004 2.546 -8.717 1.00 21.10 H new ATOM 0 HB3 SER A 9 -4.150 0.823 -9.001 1.00 21.10 H new ATOM 0 HG SER A 9 -3.822 2.012 -10.962 1.00 55.05 H new ATOM 149 N THR A 10 -7.785 1.124 -10.049 1.00 4.14 N ATOM 150 CA THR A 10 -8.696 0.212 -10.767 1.00 3.14 C ATOM 151 C THR A 10 -7.946 -0.523 -11.917 1.00 51.55 C ATOM 152 O THR A 10 -8.464 -1.471 -12.521 1.00 50.31 O ATOM 153 CB THR A 10 -9.923 1.023 -11.318 1.00 43.21 C ATOM 154 OG1 THR A 10 -10.465 1.839 -10.261 1.00 31.41 O ATOM 155 CG2 THR A 10 -11.054 0.125 -11.873 1.00 40.52 C ATOM 0 H THR A 10 -7.860 2.096 -10.349 1.00 4.14 H new ATOM 0 HA THR A 10 -9.061 -0.548 -10.076 1.00 3.14 H new ATOM 0 HB THR A 10 -9.551 1.628 -12.145 1.00 43.21 H new ATOM 0 HG1 THR A 10 -11.230 2.348 -10.601 1.00 31.41 H new ATOM 0 HG21 THR A 10 -11.870 0.750 -12.237 1.00 40.52 H new ATOM 0 HG22 THR A 10 -10.668 -0.481 -12.693 1.00 40.52 H new ATOM 0 HG23 THR A 10 -11.422 -0.527 -11.081 1.00 40.52 H new ATOM 163 N ASP A 11 -6.697 -0.092 -12.189 1.00 65.12 N ATOM 164 CA ASP A 11 -5.876 -0.634 -13.281 1.00 63.55 C ATOM 165 C ASP A 11 -4.797 -1.588 -12.734 1.00 15.53 C ATOM 166 O ASP A 11 -3.745 -1.143 -12.253 1.00 2.34 O ATOM 167 CB ASP A 11 -5.230 0.514 -14.086 1.00 43.44 C ATOM 168 CG ASP A 11 -6.243 1.355 -14.880 1.00 1.14 C ATOM 169 OD1 ASP A 11 -6.891 0.806 -15.790 1.00 11.41 O ATOM 170 OD2 ASP A 11 -6.387 2.562 -14.614 1.00 32.52 O ATOM 0 H ASP A 11 -6.233 0.642 -11.655 1.00 65.12 H new ATOM 0 HA ASP A 11 -6.523 -1.204 -13.947 1.00 63.55 H new ATOM 0 HB2 ASP A 11 -4.687 1.166 -13.402 1.00 43.44 H new ATOM 0 HB3 ASP A 11 -4.498 0.095 -14.776 1.00 43.44 H new ATOM 175 N THR A 12 -5.089 -2.899 -12.835 1.00 12.22 N ATOM 176 CA THR A 12 -4.179 -4.005 -12.466 1.00 24.52 C ATOM 177 C THR A 12 -2.824 -3.889 -13.197 1.00 54.01 C ATOM 178 O THR A 12 -1.769 -4.198 -12.631 1.00 12.12 O ATOM 179 CB THR A 12 -4.849 -5.372 -12.830 1.00 25.43 C ATOM 180 OG1 THR A 12 -6.189 -5.388 -12.317 1.00 62.55 O ATOM 181 CG2 THR A 12 -4.085 -6.583 -12.272 1.00 51.41 C ATOM 0 H THR A 12 -5.989 -3.229 -13.185 1.00 12.22 H new ATOM 0 HA THR A 12 -3.993 -3.948 -11.393 1.00 24.52 H new ATOM 0 HB THR A 12 -4.839 -5.457 -13.917 1.00 25.43 H new ATOM 0 HG1 THR A 12 -6.616 -6.241 -12.543 1.00 62.55 H new ATOM 0 HG21 THR A 12 -4.599 -7.501 -12.558 1.00 51.41 H new ATOM 0 HG22 THR A 12 -3.073 -6.593 -12.677 1.00 51.41 H new ATOM 0 HG23 THR A 12 -4.040 -6.516 -11.185 1.00 51.41 H new ATOM 189 N ASN A 13 -2.896 -3.414 -14.457 1.00 72.21 N ATOM 190 CA ASN A 13 -1.728 -3.209 -15.328 1.00 61.30 C ATOM 191 C ASN A 13 -0.776 -2.154 -14.737 1.00 25.24 C ATOM 192 O ASN A 13 0.448 -2.308 -14.803 1.00 15.51 O ATOM 193 CB ASN A 13 -2.174 -2.777 -16.754 1.00 71.13 C ATOM 194 CG ASN A 13 -3.098 -3.789 -17.440 1.00 72.10 C ATOM 195 OD1 ASN A 13 -2.643 -4.713 -18.122 1.00 30.11 O ATOM 196 ND2 ASN A 13 -4.403 -3.609 -17.286 1.00 24.04 N ATOM 0 H ASN A 13 -3.779 -3.160 -14.901 1.00 72.21 H new ATOM 0 HA ASN A 13 -1.196 -4.158 -15.396 1.00 61.30 H new ATOM 0 HB2 ASN A 13 -2.685 -1.816 -16.691 1.00 71.13 H new ATOM 0 HB3 ASN A 13 -1.289 -2.628 -17.373 1.00 71.13 H new ATOM 0 HD21 ASN A 13 -5.062 -4.243 -17.737 1.00 24.04 H new ATOM 0 HD22 ASN A 13 -4.748 -2.836 -16.716 1.00 24.04 H new ATOM 203 N ILE A 14 -1.355 -1.098 -14.127 1.00 73.43 N ATOM 204 CA ILE A 14 -0.578 0.025 -13.575 1.00 73.33 C ATOM 205 C ILE A 14 0.067 -0.385 -12.245 1.00 11.42 C ATOM 206 O ILE A 14 1.243 -0.111 -12.013 1.00 22.45 O ATOM 207 CB ILE A 14 -1.478 1.304 -13.394 1.00 65.31 C ATOM 208 CG1 ILE A 14 -2.050 1.775 -14.771 1.00 51.10 C ATOM 209 CG2 ILE A 14 -0.725 2.452 -12.691 1.00 25.23 C ATOM 210 CD1 ILE A 14 -1.015 2.046 -15.848 1.00 73.13 C ATOM 0 H ILE A 14 -2.363 -1.003 -14.006 1.00 73.43 H new ATOM 0 HA ILE A 14 0.212 0.278 -14.282 1.00 73.33 H new ATOM 0 HB ILE A 14 -2.310 1.025 -12.747 1.00 65.31 H new ATOM 0 HG12 ILE A 14 -2.740 1.015 -15.137 1.00 51.10 H new ATOM 0 HG13 ILE A 14 -2.631 2.684 -14.612 1.00 51.10 H new ATOM 0 HG21 ILE A 14 -1.387 3.312 -12.589 1.00 25.23 H new ATOM 0 HG22 ILE A 14 -0.401 2.124 -11.703 1.00 25.23 H new ATOM 0 HG23 ILE A 14 0.146 2.732 -13.283 1.00 25.23 H new ATOM 0 HD11 ILE A 14 -1.516 2.366 -16.762 1.00 73.13 H new ATOM 0 HD12 ILE A 14 -0.337 2.830 -15.512 1.00 73.13 H new ATOM 0 HD13 ILE A 14 -0.448 1.136 -16.045 1.00 73.13 H new ATOM 222 N ILE A 15 -0.724 -1.071 -11.399 1.00 53.12 N ATOM 223 CA ILE A 15 -0.252 -1.625 -10.112 1.00 50.03 C ATOM 224 C ILE A 15 0.922 -2.606 -10.339 1.00 15.21 C ATOM 225 O ILE A 15 1.887 -2.611 -9.571 1.00 10.13 O ATOM 226 CB ILE A 15 -1.431 -2.334 -9.342 1.00 62.32 C ATOM 227 CG1 ILE A 15 -2.565 -1.303 -9.030 1.00 24.22 C ATOM 228 CG2 ILE A 15 -0.936 -3.036 -8.052 1.00 43.01 C ATOM 229 CD1 ILE A 15 -3.767 -1.872 -8.297 1.00 30.31 C ATOM 0 H ILE A 15 -1.709 -1.258 -11.587 1.00 53.12 H new ATOM 0 HA ILE A 15 0.106 -0.800 -9.497 1.00 50.03 H new ATOM 0 HB ILE A 15 -1.837 -3.113 -9.987 1.00 62.32 H new ATOM 0 HG12 ILE A 15 -2.145 -0.493 -8.434 1.00 24.22 H new ATOM 0 HG13 ILE A 15 -2.905 -0.865 -9.968 1.00 24.22 H new ATOM 0 HG21 ILE A 15 -1.779 -3.512 -7.551 1.00 43.01 H new ATOM 0 HG22 ILE A 15 -0.194 -3.791 -8.311 1.00 43.01 H new ATOM 0 HG23 ILE A 15 -0.487 -2.299 -7.386 1.00 43.01 H new ATOM 0 HD11 ILE A 15 -4.497 -1.081 -8.127 1.00 30.31 H new ATOM 0 HD12 ILE A 15 -4.220 -2.661 -8.898 1.00 30.31 H new ATOM 0 HD13 ILE A 15 -3.448 -2.283 -7.339 1.00 30.31 H new ATOM 241 N SER A 16 0.837 -3.387 -11.439 1.00 35.10 N ATOM 242 CA SER A 16 1.891 -4.328 -11.851 1.00 62.35 C ATOM 243 C SER A 16 3.179 -3.570 -12.201 1.00 31.32 C ATOM 244 O SER A 16 4.245 -3.895 -11.684 1.00 53.50 O ATOM 245 CB SER A 16 1.415 -5.168 -13.062 1.00 2.11 C ATOM 246 OG SER A 16 2.345 -6.191 -13.387 1.00 30.32 O ATOM 0 H SER A 16 0.031 -3.379 -12.065 1.00 35.10 H new ATOM 0 HA SER A 16 2.101 -5.001 -11.020 1.00 62.35 H new ATOM 0 HB2 SER A 16 0.446 -5.614 -12.838 1.00 2.11 H new ATOM 0 HB3 SER A 16 1.274 -4.517 -13.924 1.00 2.11 H new ATOM 0 HG SER A 16 3.180 -5.786 -13.702 1.00 30.32 H new ATOM 252 N SER A 17 3.037 -2.526 -13.047 1.00 52.23 N ATOM 253 CA SER A 17 4.161 -1.703 -13.525 1.00 4.54 C ATOM 254 C SER A 17 4.941 -1.072 -12.347 1.00 54.42 C ATOM 255 O SER A 17 6.158 -1.238 -12.227 1.00 11.44 O ATOM 256 CB SER A 17 3.622 -0.602 -14.468 1.00 3.41 C ATOM 257 OG SER A 17 2.974 -1.161 -15.606 1.00 64.43 O ATOM 0 H SER A 17 2.133 -2.232 -13.417 1.00 52.23 H new ATOM 0 HA SER A 17 4.855 -2.344 -14.069 1.00 4.54 H new ATOM 0 HB2 SER A 17 2.922 0.033 -13.925 1.00 3.41 H new ATOM 0 HB3 SER A 17 4.445 0.035 -14.793 1.00 3.41 H new ATOM 0 HG SER A 17 2.110 -1.538 -15.338 1.00 64.43 H new ATOM 263 N VAL A 18 4.194 -0.401 -11.460 1.00 2.13 N ATOM 264 CA VAL A 18 4.740 0.320 -10.298 1.00 40.23 C ATOM 265 C VAL A 18 5.386 -0.654 -9.286 1.00 33.30 C ATOM 266 O VAL A 18 6.417 -0.335 -8.684 1.00 12.45 O ATOM 267 CB VAL A 18 3.605 1.162 -9.611 1.00 72.34 C ATOM 268 CG1 VAL A 18 4.112 1.903 -8.355 1.00 23.25 C ATOM 269 CG2 VAL A 18 2.977 2.147 -10.623 1.00 33.21 C ATOM 0 H VAL A 18 3.178 -0.342 -11.529 1.00 2.13 H new ATOM 0 HA VAL A 18 5.521 0.995 -10.648 1.00 40.23 H new ATOM 0 HB VAL A 18 2.834 0.467 -9.278 1.00 72.34 H new ATOM 0 HG11 VAL A 18 3.294 2.472 -7.913 1.00 23.25 H new ATOM 0 HG12 VAL A 18 4.483 1.178 -7.630 1.00 23.25 H new ATOM 0 HG13 VAL A 18 4.917 2.583 -8.634 1.00 23.25 H new ATOM 0 HG21 VAL A 18 2.193 2.723 -10.132 1.00 33.21 H new ATOM 0 HG22 VAL A 18 3.745 2.825 -10.996 1.00 33.21 H new ATOM 0 HG23 VAL A 18 2.550 1.589 -11.456 1.00 33.21 H new ATOM 279 N GLN A 19 4.782 -1.848 -9.142 1.00 61.32 N ATOM 280 CA GLN A 19 5.270 -2.902 -8.231 1.00 74.05 C ATOM 281 C GLN A 19 6.642 -3.429 -8.699 1.00 15.35 C ATOM 282 O GLN A 19 7.574 -3.542 -7.901 1.00 30.01 O ATOM 283 CB GLN A 19 4.240 -4.058 -8.171 1.00 33.05 C ATOM 284 CG GLN A 19 4.568 -5.192 -7.182 1.00 2.53 C ATOM 285 CD GLN A 19 3.584 -6.370 -7.231 1.00 33.14 C ATOM 286 OE1 GLN A 19 3.958 -7.516 -6.969 1.00 14.23 O ATOM 287 NE2 GLN A 19 2.316 -6.109 -7.544 1.00 73.25 N ATOM 0 H GLN A 19 3.940 -2.110 -9.655 1.00 61.32 H new ATOM 0 HA GLN A 19 5.390 -2.479 -7.233 1.00 74.05 H new ATOM 0 HB2 GLN A 19 3.268 -3.641 -7.908 1.00 33.05 H new ATOM 0 HB3 GLN A 19 4.144 -4.487 -9.168 1.00 33.05 H new ATOM 0 HG2 GLN A 19 5.572 -5.562 -7.390 1.00 2.53 H new ATOM 0 HG3 GLN A 19 4.581 -4.785 -6.171 1.00 2.53 H new ATOM 0 HE21 GLN A 19 2.030 -5.153 -7.757 1.00 73.25 H new ATOM 0 HE22 GLN A 19 1.631 -6.865 -7.571 1.00 73.25 H new ATOM 296 N GLU A 20 6.746 -3.709 -10.015 1.00 35.51 N ATOM 297 CA GLU A 20 7.976 -4.241 -10.649 1.00 51.31 C ATOM 298 C GLU A 20 9.136 -3.230 -10.558 1.00 74.31 C ATOM 299 O GLU A 20 10.298 -3.620 -10.375 1.00 71.53 O ATOM 300 CB GLU A 20 7.692 -4.608 -12.132 1.00 51.33 C ATOM 301 CG GLU A 20 6.717 -5.795 -12.320 1.00 34.11 C ATOM 302 CD GLU A 20 6.323 -6.036 -13.789 1.00 61.23 C ATOM 303 OE1 GLU A 20 7.094 -6.693 -14.525 1.00 20.44 O ATOM 304 OE2 GLU A 20 5.250 -5.550 -14.222 1.00 13.35 O ATOM 0 H GLU A 20 5.978 -3.573 -10.672 1.00 35.51 H new ATOM 0 HA GLU A 20 8.276 -5.139 -10.109 1.00 51.31 H new ATOM 0 HB2 GLU A 20 7.283 -3.734 -12.638 1.00 51.33 H new ATOM 0 HB3 GLU A 20 8.636 -4.847 -12.622 1.00 51.33 H new ATOM 0 HG2 GLU A 20 7.177 -6.700 -11.922 1.00 34.11 H new ATOM 0 HG3 GLU A 20 5.816 -5.611 -11.735 1.00 34.11 H new ATOM 311 N ARG A 21 8.797 -1.932 -10.690 1.00 51.24 N ATOM 312 CA ARG A 21 9.765 -0.824 -10.558 1.00 21.41 C ATOM 313 C ARG A 21 10.276 -0.717 -9.110 1.00 30.01 C ATOM 314 O ARG A 21 11.479 -0.798 -8.856 1.00 23.52 O ATOM 315 CB ARG A 21 9.108 0.523 -10.972 1.00 64.14 C ATOM 316 CG ARG A 21 8.676 0.608 -12.450 1.00 5.43 C ATOM 317 CD ARG A 21 7.842 1.869 -12.742 1.00 22.30 C ATOM 318 NE ARG A 21 7.336 1.897 -14.123 1.00 33.32 N ATOM 319 CZ ARG A 21 6.538 2.846 -14.639 1.00 74.02 C ATOM 320 NH1 ARG A 21 6.125 3.874 -13.897 1.00 3.55 N ATOM 321 NH2 ARG A 21 6.158 2.765 -15.905 1.00 54.21 N ATOM 0 H ARG A 21 7.846 -1.622 -10.891 1.00 51.24 H new ATOM 0 HA ARG A 21 10.607 -1.034 -11.218 1.00 21.41 H new ATOM 0 HB2 ARG A 21 8.234 0.693 -10.343 1.00 64.14 H new ATOM 0 HB3 ARG A 21 9.810 1.331 -10.767 1.00 64.14 H new ATOM 0 HG2 ARG A 21 9.561 0.605 -13.086 1.00 5.43 H new ATOM 0 HG3 ARG A 21 8.095 -0.277 -12.708 1.00 5.43 H new ATOM 0 HD2 ARG A 21 7.002 1.915 -12.049 1.00 22.30 H new ATOM 0 HD3 ARG A 21 8.452 2.755 -12.563 1.00 22.30 H new ATOM 0 HE ARG A 21 7.614 1.133 -14.739 1.00 33.32 H new ATOM 0 HH11 ARG A 21 6.415 3.948 -12.922 1.00 3.55 H new ATOM 0 HH12 ARG A 21 5.519 4.586 -14.305 1.00 3.55 H new ATOM 0 HH21 ARG A 21 6.471 1.985 -16.483 1.00 54.21 H new ATOM 0 HH22 ARG A 21 5.552 3.483 -16.302 1.00 54.21 H new ATOM 335 N ALA A 22 9.327 -0.572 -8.173 1.00 12.53 N ATOM 336 CA ALA A 22 9.616 -0.263 -6.765 1.00 32.43 C ATOM 337 C ALA A 22 10.346 -1.416 -6.044 1.00 54.24 C ATOM 338 O ALA A 22 11.172 -1.166 -5.167 1.00 40.42 O ATOM 339 CB ALA A 22 8.316 0.112 -6.048 1.00 72.42 C ATOM 0 H ALA A 22 8.331 -0.667 -8.372 1.00 12.53 H new ATOM 0 HA ALA A 22 10.299 0.586 -6.738 1.00 32.43 H new ATOM 0 HB1 ALA A 22 8.529 0.341 -5.004 1.00 72.42 H new ATOM 0 HB2 ALA A 22 7.874 0.985 -6.528 1.00 72.42 H new ATOM 0 HB3 ALA A 22 7.618 -0.723 -6.101 1.00 72.42 H new ATOM 345 N LYS A 23 10.033 -2.673 -6.416 1.00 14.11 N ATOM 346 CA LYS A 23 10.750 -3.861 -5.894 1.00 55.12 C ATOM 347 C LYS A 23 12.150 -4.012 -6.523 1.00 43.54 C ATOM 348 O LYS A 23 12.985 -4.749 -5.987 1.00 32.22 O ATOM 349 CB LYS A 23 9.940 -5.165 -6.121 1.00 31.53 C ATOM 350 CG LYS A 23 8.628 -5.273 -5.317 1.00 14.32 C ATOM 351 CD LYS A 23 7.926 -6.640 -5.523 1.00 21.32 C ATOM 352 CE LYS A 23 8.764 -7.822 -4.999 1.00 24.15 C ATOM 353 NZ LYS A 23 8.150 -9.140 -5.327 1.00 2.10 N ATOM 0 H LYS A 23 9.288 -2.895 -7.076 1.00 14.11 H new ATOM 0 HA LYS A 23 10.866 -3.699 -4.822 1.00 55.12 H new ATOM 0 HB2 LYS A 23 9.705 -5.247 -7.182 1.00 31.53 H new ATOM 0 HB3 LYS A 23 10.573 -6.015 -5.868 1.00 31.53 H new ATOM 0 HG2 LYS A 23 8.841 -5.132 -4.257 1.00 14.32 H new ATOM 0 HG3 LYS A 23 7.953 -4.471 -5.617 1.00 14.32 H new ATOM 0 HD2 LYS A 23 6.962 -6.629 -5.014 1.00 21.32 H new ATOM 0 HD3 LYS A 23 7.725 -6.785 -6.584 1.00 21.32 H new ATOM 0 HE2 LYS A 23 9.765 -7.773 -5.428 1.00 24.15 H new ATOM 0 HE3 LYS A 23 8.876 -7.735 -3.918 1.00 24.15 H new ATOM 0 HZ1 LYS A 23 8.749 -9.904 -4.955 1.00 2.10 H new ATOM 0 HZ2 LYS A 23 7.205 -9.200 -4.897 1.00 2.10 H new ATOM 0 HZ3 LYS A 23 8.067 -9.237 -6.359 1.00 2.10 H new ATOM 367 N HIS A 24 12.395 -3.380 -7.687 1.00 41.13 N ATOM 368 CA HIS A 24 13.730 -3.387 -8.312 1.00 3.52 C ATOM 369 C HIS A 24 14.628 -2.291 -7.704 1.00 73.20 C ATOM 370 O HIS A 24 15.843 -2.480 -7.588 1.00 1.13 O ATOM 371 CB HIS A 24 13.626 -3.229 -9.850 1.00 11.11 C ATOM 372 CG HIS A 24 14.946 -3.398 -10.564 1.00 1.25 C ATOM 373 ND1 HIS A 24 15.536 -4.631 -10.754 1.00 4.04 N ATOM 374 CD2 HIS A 24 15.815 -2.492 -11.080 1.00 54.00 C ATOM 375 CE1 HIS A 24 16.698 -4.473 -11.353 1.00 21.24 C ATOM 376 NE2 HIS A 24 16.892 -3.189 -11.559 1.00 31.12 N ATOM 0 H HIS A 24 11.690 -2.861 -8.210 1.00 41.13 H new ATOM 0 HA HIS A 24 14.191 -4.353 -8.106 1.00 3.52 H new ATOM 0 HB2 HIS A 24 12.917 -3.962 -10.235 1.00 11.11 H new ATOM 0 HB3 HIS A 24 13.222 -2.243 -10.079 1.00 11.11 H new ATOM 0 HD2 HIS A 24 15.682 -1.421 -11.108 1.00 54.00 H new ATOM 0 HE1 HIS A 24 17.378 -5.265 -11.629 1.00 21.24 H new ATOM 0 HE2 HIS A 24 17.713 -2.778 -12.004 1.00 31.12 H new ATOM 385 N ASN A 25 14.028 -1.144 -7.330 1.00 32.31 N ATOM 386 CA ASN A 25 14.758 -0.052 -6.649 1.00 0.23 C ATOM 387 C ASN A 25 15.085 -0.471 -5.205 1.00 60.30 C ATOM 388 O ASN A 25 16.247 -0.472 -4.791 1.00 33.01 O ATOM 389 CB ASN A 25 13.939 1.275 -6.645 1.00 61.44 C ATOM 390 CG ASN A 25 13.777 1.913 -8.030 1.00 13.53 C ATOM 391 OD1 ASN A 25 14.660 2.626 -8.507 1.00 43.00 O ATOM 392 ND2 ASN A 25 12.640 1.704 -8.670 1.00 24.53 N ATOM 0 H ASN A 25 13.039 -0.948 -7.487 1.00 32.31 H new ATOM 0 HA ASN A 25 15.681 0.130 -7.199 1.00 0.23 H new ATOM 0 HB2 ASN A 25 12.951 1.079 -6.229 1.00 61.44 H new ATOM 0 HB3 ASN A 25 14.428 1.989 -5.982 1.00 61.44 H new ATOM 0 HD21 ASN A 25 12.479 2.137 -9.579 1.00 24.53 H new ATOM 0 HD22 ASN A 25 11.923 1.109 -8.255 1.00 24.53 H new ATOM 399 N TYR A 26 14.037 -0.861 -4.469 1.00 33.35 N ATOM 400 CA TYR A 26 14.112 -1.207 -3.035 1.00 73.41 C ATOM 401 C TYR A 26 14.239 -2.735 -2.846 1.00 63.33 C ATOM 402 O TYR A 26 13.993 -3.479 -3.791 1.00 73.31 O ATOM 403 CB TYR A 26 12.841 -0.649 -2.331 1.00 30.32 C ATOM 404 CG TYR A 26 12.730 0.875 -2.460 1.00 21.10 C ATOM 405 CD1 TYR A 26 13.641 1.699 -1.804 1.00 60.02 C ATOM 406 CD2 TYR A 26 11.755 1.486 -3.259 1.00 75.10 C ATOM 407 CE1 TYR A 26 13.587 3.068 -1.928 1.00 61.15 C ATOM 408 CE2 TYR A 26 11.696 2.865 -3.380 1.00 21.03 C ATOM 409 CZ TYR A 26 12.621 3.648 -2.715 1.00 71.24 C ATOM 410 OH TYR A 26 12.580 5.018 -2.828 1.00 35.53 O ATOM 0 H TYR A 26 13.097 -0.948 -4.854 1.00 33.35 H new ATOM 0 HA TYR A 26 14.999 -0.759 -2.587 1.00 73.41 H new ATOM 0 HB2 TYR A 26 11.955 -1.114 -2.763 1.00 30.32 H new ATOM 0 HB3 TYR A 26 12.862 -0.922 -1.276 1.00 30.32 H new ATOM 0 HD1 TYR A 26 14.406 1.254 -1.185 1.00 60.02 H new ATOM 0 HD2 TYR A 26 11.040 0.874 -3.788 1.00 75.10 H new ATOM 0 HE1 TYR A 26 14.303 3.686 -1.407 1.00 61.15 H new ATOM 0 HE2 TYR A 26 10.932 3.325 -3.990 1.00 21.03 H new ATOM 0 HH TYR A 26 13.138 5.301 -3.582 1.00 35.53 H new ATOM 420 N PRO A 27 14.645 -3.234 -1.625 1.00 21.12 N ATOM 421 CA PRO A 27 14.671 -4.699 -1.306 1.00 32.31 C ATOM 422 C PRO A 27 13.311 -5.421 -1.504 1.00 63.13 C ATOM 423 O PRO A 27 13.266 -6.657 -1.557 1.00 33.22 O ATOM 424 CB PRO A 27 15.116 -4.739 0.188 1.00 42.41 C ATOM 425 CG PRO A 27 14.947 -3.334 0.695 1.00 0.11 C ATOM 426 CD PRO A 27 15.206 -2.442 -0.493 1.00 32.13 C ATOM 0 HA PRO A 27 15.338 -5.232 -1.984 1.00 32.31 H new ATOM 0 HB2 PRO A 27 14.507 -5.439 0.760 1.00 42.41 H new ATOM 0 HB3 PRO A 27 16.151 -5.068 0.281 1.00 42.41 H new ATOM 0 HG2 PRO A 27 13.944 -3.178 1.091 1.00 0.11 H new ATOM 0 HG3 PRO A 27 15.646 -3.122 1.504 1.00 0.11 H new ATOM 0 HD2 PRO A 27 14.711 -1.476 -0.390 1.00 32.13 H new ATOM 0 HD3 PRO A 27 16.269 -2.243 -0.626 1.00 32.13 H new ATOM 434 N GLY A 28 12.212 -4.639 -1.584 1.00 31.12 N ATOM 435 CA GLY A 28 10.865 -5.180 -1.803 1.00 50.43 C ATOM 436 C GLY A 28 10.107 -5.409 -0.504 1.00 2.04 C ATOM 437 O GLY A 28 8.904 -5.662 -0.537 1.00 4.03 O ATOM 0 H GLY A 28 12.239 -3.623 -1.498 1.00 31.12 H new ATOM 0 HA2 GLY A 28 10.300 -4.493 -2.433 1.00 50.43 H new ATOM 0 HA3 GLY A 28 10.940 -6.122 -2.346 1.00 50.43 H new ATOM 441 N ARG A 29 10.823 -5.307 0.642 1.00 74.13 N ATOM 442 CA ARG A 29 10.234 -5.393 1.997 1.00 53.42 C ATOM 443 C ARG A 29 9.180 -4.294 2.219 1.00 11.53 C ATOM 444 O ARG A 29 8.177 -4.503 2.898 1.00 33.40 O ATOM 445 CB ARG A 29 11.366 -5.281 3.062 1.00 2.15 C ATOM 446 CG ARG A 29 10.888 -5.259 4.536 1.00 12.33 C ATOM 447 CD ARG A 29 12.051 -5.253 5.544 1.00 61.34 C ATOM 448 NE ARG A 29 12.845 -6.502 5.480 1.00 42.25 N ATOM 449 CZ ARG A 29 14.187 -6.574 5.398 1.00 65.51 C ATOM 450 NH1 ARG A 29 14.929 -5.475 5.365 1.00 63.11 N ATOM 451 NH2 ARG A 29 14.783 -7.757 5.326 1.00 4.43 N ATOM 0 H ARG A 29 11.833 -5.162 0.650 1.00 74.13 H new ATOM 0 HA ARG A 29 9.733 -6.356 2.097 1.00 53.42 H new ATOM 0 HB2 ARG A 29 12.050 -6.120 2.931 1.00 2.15 H new ATOM 0 HB3 ARG A 29 11.936 -4.372 2.868 1.00 2.15 H new ATOM 0 HG2 ARG A 29 10.269 -4.377 4.698 1.00 12.33 H new ATOM 0 HG3 ARG A 29 10.258 -6.129 4.721 1.00 12.33 H new ATOM 0 HD2 ARG A 29 12.700 -4.400 5.345 1.00 61.34 H new ATOM 0 HD3 ARG A 29 11.657 -5.125 6.552 1.00 61.34 H new ATOM 0 HE ARG A 29 12.331 -7.383 5.500 1.00 42.25 H new ATOM 0 HH11 ARG A 29 14.484 -4.558 5.402 1.00 63.11 H new ATOM 0 HH12 ARG A 29 15.945 -5.547 5.303 1.00 63.11 H new ATOM 0 HH21 ARG A 29 14.225 -8.611 5.333 1.00 4.43 H new ATOM 0 HH22 ARG A 29 15.800 -7.813 5.264 1.00 4.43 H new ATOM 465 N TYR A 30 9.435 -3.130 1.611 1.00 13.51 N ATOM 466 CA TYR A 30 8.560 -1.951 1.703 1.00 10.01 C ATOM 467 C TYR A 30 7.286 -2.113 0.856 1.00 20.22 C ATOM 468 O TYR A 30 6.272 -1.477 1.124 1.00 74.22 O ATOM 469 CB TYR A 30 9.347 -0.711 1.237 1.00 53.13 C ATOM 470 CG TYR A 30 10.577 -0.389 2.097 1.00 43.31 C ATOM 471 CD1 TYR A 30 10.426 -0.104 3.451 1.00 5.20 C ATOM 472 CD2 TYR A 30 11.873 -0.349 1.566 1.00 51.35 C ATOM 473 CE1 TYR A 30 11.498 0.211 4.249 1.00 43.41 C ATOM 474 CE2 TYR A 30 12.958 -0.035 2.368 1.00 22.51 C ATOM 475 CZ TYR A 30 12.762 0.243 3.708 1.00 12.24 C ATOM 476 OH TYR A 30 13.834 0.546 4.513 1.00 13.45 O ATOM 0 H TYR A 30 10.263 -2.976 1.035 1.00 13.51 H new ATOM 0 HA TYR A 30 8.246 -1.835 2.740 1.00 10.01 H new ATOM 0 HB2 TYR A 30 9.668 -0.864 0.206 1.00 53.13 H new ATOM 0 HB3 TYR A 30 8.680 0.151 1.239 1.00 53.13 H new ATOM 0 HD1 TYR A 30 9.438 -0.131 3.886 1.00 5.20 H new ATOM 0 HD2 TYR A 30 12.028 -0.565 0.519 1.00 51.35 H new ATOM 0 HE1 TYR A 30 11.349 0.432 5.296 1.00 43.41 H new ATOM 0 HE2 TYR A 30 13.953 -0.007 1.948 1.00 22.51 H new ATOM 0 HH TYR A 30 14.658 0.527 3.982 1.00 13.45 H new ATOM 486 N ILE A 31 7.352 -2.984 -0.157 1.00 31.34 N ATOM 487 CA ILE A 31 6.256 -3.194 -1.113 1.00 54.11 C ATOM 488 C ILE A 31 5.494 -4.471 -0.721 1.00 23.13 C ATOM 489 O ILE A 31 6.085 -5.545 -0.566 1.00 24.13 O ATOM 490 CB ILE A 31 6.783 -3.296 -2.608 1.00 22.21 C ATOM 491 CG1 ILE A 31 7.286 -1.906 -3.153 1.00 12.14 C ATOM 492 CG2 ILE A 31 5.704 -3.891 -3.558 1.00 65.34 C ATOM 493 CD1 ILE A 31 8.557 -1.352 -2.514 1.00 0.14 C ATOM 0 H ILE A 31 8.170 -3.566 -0.339 1.00 31.34 H new ATOM 0 HA ILE A 31 5.589 -2.333 -1.072 1.00 54.11 H new ATOM 0 HB ILE A 31 7.634 -3.976 -2.589 1.00 22.21 H new ATOM 0 HG12 ILE A 31 7.454 -1.999 -4.226 1.00 12.14 H new ATOM 0 HG13 ILE A 31 6.488 -1.176 -3.018 1.00 12.14 H new ATOM 0 HG21 ILE A 31 6.101 -3.945 -4.572 1.00 65.34 H new ATOM 0 HG22 ILE A 31 5.434 -4.892 -3.220 1.00 65.34 H new ATOM 0 HG23 ILE A 31 4.820 -3.254 -3.549 1.00 65.34 H new ATOM 0 HD11 ILE A 31 8.805 -0.393 -2.969 1.00 0.14 H new ATOM 0 HD12 ILE A 31 8.397 -1.215 -1.445 1.00 0.14 H new ATOM 0 HD13 ILE A 31 9.378 -2.051 -2.671 1.00 0.14 H new ATOM 505 N ARG A 32 4.188 -4.321 -0.508 1.00 44.44 N ATOM 506 CA ARG A 32 3.261 -5.420 -0.243 1.00 13.41 C ATOM 507 C ARG A 32 2.040 -5.258 -1.151 1.00 21.32 C ATOM 508 O ARG A 32 1.756 -4.160 -1.614 1.00 12.04 O ATOM 509 CB ARG A 32 2.824 -5.394 1.249 1.00 25.32 C ATOM 510 CG ARG A 32 1.862 -6.530 1.677 1.00 71.43 C ATOM 511 CD ARG A 32 2.463 -7.940 1.508 1.00 13.51 C ATOM 512 NE ARG A 32 1.459 -9.007 1.701 1.00 0.45 N ATOM 513 CZ ARG A 32 1.250 -9.690 2.840 1.00 73.13 C ATOM 514 NH1 ARG A 32 1.963 -9.438 3.940 1.00 45.10 N ATOM 515 NH2 ARG A 32 0.341 -10.658 2.863 1.00 4.21 N ATOM 0 H ARG A 32 3.733 -3.408 -0.515 1.00 44.44 H new ATOM 0 HA ARG A 32 3.747 -6.375 -0.445 1.00 13.41 H new ATOM 0 HB2 ARG A 32 3.717 -5.442 1.873 1.00 25.32 H new ATOM 0 HB3 ARG A 32 2.343 -4.437 1.453 1.00 25.32 H new ATOM 0 HG2 ARG A 32 1.583 -6.385 2.721 1.00 71.43 H new ATOM 0 HG3 ARG A 32 0.946 -6.461 1.090 1.00 71.43 H new ATOM 0 HD2 ARG A 32 2.898 -8.030 0.513 1.00 13.51 H new ATOM 0 HD3 ARG A 32 3.274 -8.074 2.223 1.00 13.51 H new ATOM 0 HE ARG A 32 0.874 -9.246 0.901 1.00 0.45 H new ATOM 0 HH11 ARG A 32 2.683 -8.715 3.927 1.00 45.10 H new ATOM 0 HH12 ARG A 32 1.788 -9.968 4.794 1.00 45.10 H new ATOM 0 HH21 ARG A 32 -0.191 -10.878 2.021 1.00 4.21 H new ATOM 0 HH22 ARG A 32 0.175 -11.182 3.722 1.00 4.21 H new ATOM 529 N THR A 33 1.350 -6.367 -1.428 1.00 64.11 N ATOM 530 CA THR A 33 0.044 -6.358 -2.096 1.00 73.11 C ATOM 531 C THR A 33 -1.041 -6.902 -1.142 1.00 12.34 C ATOM 532 O THR A 33 -0.797 -7.837 -0.366 1.00 64.41 O ATOM 533 CB THR A 33 0.087 -7.222 -3.395 1.00 72.33 C ATOM 534 OG1 THR A 33 0.569 -8.542 -3.080 1.00 40.11 O ATOM 535 CG2 THR A 33 0.981 -6.592 -4.482 1.00 41.22 C ATOM 0 H THR A 33 1.683 -7.302 -1.194 1.00 64.11 H new ATOM 0 HA THR A 33 -0.198 -5.331 -2.367 1.00 73.11 H new ATOM 0 HB THR A 33 -0.927 -7.274 -3.791 1.00 72.33 H new ATOM 0 HG1 THR A 33 0.594 -9.084 -3.896 1.00 40.11 H new ATOM 0 HG21 THR A 33 0.980 -7.228 -5.367 1.00 41.22 H new ATOM 0 HG22 THR A 33 0.596 -5.606 -4.743 1.00 41.22 H new ATOM 0 HG23 THR A 33 1.999 -6.496 -4.105 1.00 41.22 H new ATOM 543 N ALA A 34 -2.223 -6.280 -1.193 1.00 43.41 N ATOM 544 CA ALA A 34 -3.434 -6.778 -0.537 1.00 71.40 C ATOM 545 C ALA A 34 -4.410 -7.193 -1.634 1.00 43.24 C ATOM 546 O ALA A 34 -4.931 -6.336 -2.366 1.00 42.24 O ATOM 547 CB ALA A 34 -4.055 -5.708 0.376 1.00 71.13 C ATOM 0 H ALA A 34 -2.366 -5.405 -1.698 1.00 43.41 H new ATOM 0 HA ALA A 34 -3.193 -7.628 0.101 1.00 71.40 H new ATOM 0 HB1 ALA A 34 -4.952 -6.109 0.848 1.00 71.13 H new ATOM 0 HB2 ALA A 34 -3.336 -5.424 1.145 1.00 71.13 H new ATOM 0 HB3 ALA A 34 -4.317 -4.832 -0.217 1.00 71.13 H new ATOM 553 N THR A 35 -4.589 -8.504 -1.801 1.00 74.51 N ATOM 554 CA THR A 35 -5.582 -9.054 -2.737 1.00 50.40 C ATOM 555 C THR A 35 -6.814 -9.539 -1.957 1.00 4.13 C ATOM 556 O THR A 35 -7.874 -9.782 -2.549 1.00 44.23 O ATOM 557 CB THR A 35 -4.976 -10.198 -3.626 1.00 11.22 C ATOM 558 OG1 THR A 35 -5.907 -10.586 -4.653 1.00 23.12 O ATOM 559 CG2 THR A 35 -4.572 -11.439 -2.821 1.00 73.21 C ATOM 0 H THR A 35 -4.056 -9.213 -1.298 1.00 74.51 H new ATOM 0 HA THR A 35 -5.888 -8.262 -3.420 1.00 50.40 H new ATOM 0 HB THR A 35 -4.070 -9.785 -4.071 1.00 11.22 H new ATOM 0 HG1 THR A 35 -6.814 -10.329 -4.386 1.00 23.12 H new ATOM 0 HG21 THR A 35 -4.161 -12.191 -3.494 1.00 73.21 H new ATOM 0 HG22 THR A 35 -3.820 -11.164 -2.081 1.00 73.21 H new ATOM 0 HG23 THR A 35 -5.448 -11.845 -2.314 1.00 73.21 H new ATOM 567 N SER A 36 -6.682 -9.612 -0.615 1.00 73.42 N ATOM 568 CA SER A 36 -7.718 -10.145 0.263 1.00 24.02 C ATOM 569 C SER A 36 -7.524 -9.675 1.719 1.00 52.31 C ATOM 570 O SER A 36 -6.434 -9.209 2.134 1.00 14.33 O ATOM 571 CB SER A 36 -7.709 -11.697 0.195 1.00 54.43 C ATOM 572 OG SER A 36 -8.790 -12.272 0.924 1.00 61.45 O ATOM 0 H SER A 36 -5.847 -9.299 -0.119 1.00 73.42 H new ATOM 0 HA SER A 36 -8.682 -9.768 -0.079 1.00 24.02 H new ATOM 0 HB2 SER A 36 -7.765 -12.014 -0.846 1.00 54.43 H new ATOM 0 HB3 SER A 36 -6.765 -12.071 0.592 1.00 54.43 H new ATOM 0 HG SER A 36 -8.749 -13.249 0.854 1.00 61.45 H new ATOM 578 N SER A 37 -8.617 -9.835 2.474 1.00 23.34 N ATOM 579 CA SER A 37 -8.699 -9.581 3.910 1.00 13.33 C ATOM 580 C SER A 37 -7.580 -10.308 4.684 1.00 64.41 C ATOM 581 O SER A 37 -7.008 -9.749 5.614 1.00 51.24 O ATOM 582 CB SER A 37 -10.080 -10.053 4.406 1.00 62.22 C ATOM 583 OG SER A 37 -11.127 -9.531 3.606 1.00 63.40 O ATOM 0 H SER A 37 -9.502 -10.158 2.082 1.00 23.34 H new ATOM 0 HA SER A 37 -8.571 -8.514 4.089 1.00 13.33 H new ATOM 0 HB2 SER A 37 -10.119 -11.142 4.393 1.00 62.22 H new ATOM 0 HB3 SER A 37 -10.222 -9.741 5.441 1.00 62.22 H new ATOM 0 HG SER A 37 -11.513 -8.744 4.045 1.00 63.40 H new ATOM 589 N GLN A 38 -7.268 -11.549 4.244 1.00 62.04 N ATOM 590 CA GLN A 38 -6.278 -12.428 4.901 1.00 51.43 C ATOM 591 C GLN A 38 -4.861 -11.825 4.871 1.00 20.01 C ATOM 592 O GLN A 38 -4.117 -11.928 5.857 1.00 31.53 O ATOM 593 CB GLN A 38 -6.281 -13.832 4.243 1.00 72.14 C ATOM 594 CG GLN A 38 -7.642 -14.556 4.274 1.00 54.11 C ATOM 595 CD GLN A 38 -8.248 -14.672 5.678 1.00 60.54 C ATOM 596 OE1 GLN A 38 -9.020 -13.810 6.114 1.00 24.44 O ATOM 597 NE2 GLN A 38 -7.894 -15.721 6.401 1.00 34.42 N ATOM 0 H GLN A 38 -7.699 -11.969 3.420 1.00 62.04 H new ATOM 0 HA GLN A 38 -6.570 -12.523 5.947 1.00 51.43 H new ATOM 0 HB2 GLN A 38 -5.961 -13.733 3.206 1.00 72.14 H new ATOM 0 HB3 GLN A 38 -5.542 -14.455 4.746 1.00 72.14 H new ATOM 0 HG2 GLN A 38 -8.341 -14.024 3.629 1.00 54.11 H new ATOM 0 HG3 GLN A 38 -7.521 -15.556 3.857 1.00 54.11 H new ATOM 0 HE21 GLN A 38 -7.255 -16.415 6.013 1.00 34.42 H new ATOM 0 HE22 GLN A 38 -8.260 -15.836 7.346 1.00 34.42 H new ATOM 606 N ASP A 39 -4.501 -11.194 3.729 1.00 44.34 N ATOM 607 CA ASP A 39 -3.227 -10.452 3.586 1.00 34.24 C ATOM 608 C ASP A 39 -3.198 -9.289 4.577 1.00 12.31 C ATOM 609 O ASP A 39 -2.248 -9.152 5.349 1.00 5.50 O ATOM 610 CB ASP A 39 -3.045 -9.881 2.151 1.00 54.33 C ATOM 611 CG ASP A 39 -3.250 -10.925 1.057 1.00 24.44 C ATOM 612 OD1 ASP A 39 -2.402 -11.830 0.922 1.00 70.05 O ATOM 613 OD2 ASP A 39 -4.262 -10.853 0.344 1.00 73.23 O ATOM 0 H ASP A 39 -5.079 -11.185 2.889 1.00 44.34 H new ATOM 0 HA ASP A 39 -2.417 -11.154 3.785 1.00 34.24 H new ATOM 0 HB2 ASP A 39 -3.750 -9.063 2.000 1.00 54.33 H new ATOM 0 HB3 ASP A 39 -2.044 -9.460 2.059 1.00 54.33 H new ATOM 618 N ILE A 40 -4.300 -8.499 4.556 1.00 61.53 N ATOM 619 CA ILE A 40 -4.462 -7.279 5.377 1.00 24.42 C ATOM 620 C ILE A 40 -4.204 -7.560 6.868 1.00 74.21 C ATOM 621 O ILE A 40 -3.401 -6.841 7.489 1.00 62.23 O ATOM 622 CB ILE A 40 -5.890 -6.665 5.165 1.00 24.43 C ATOM 623 CG1 ILE A 40 -6.068 -6.258 3.669 1.00 53.21 C ATOM 624 CG2 ILE A 40 -6.154 -5.472 6.119 1.00 21.40 C ATOM 625 CD1 ILE A 40 -7.459 -5.812 3.297 1.00 72.14 C ATOM 0 H ILE A 40 -5.106 -8.695 3.963 1.00 61.53 H new ATOM 0 HA ILE A 40 -3.717 -6.554 5.049 1.00 24.42 H new ATOM 0 HB ILE A 40 -6.633 -7.423 5.412 1.00 24.43 H new ATOM 0 HG12 ILE A 40 -5.370 -5.453 3.441 1.00 53.21 H new ATOM 0 HG13 ILE A 40 -5.793 -7.106 3.041 1.00 53.21 H new ATOM 0 HG21 ILE A 40 -7.154 -5.076 5.939 1.00 21.40 H new ATOM 0 HG22 ILE A 40 -6.078 -5.809 7.153 1.00 21.40 H new ATOM 0 HG23 ILE A 40 -5.416 -4.690 5.937 1.00 21.40 H new ATOM 0 HD11 ILE A 40 -7.486 -5.549 2.239 1.00 72.14 H new ATOM 0 HD12 ILE A 40 -8.164 -6.621 3.488 1.00 72.14 H new ATOM 0 HD13 ILE A 40 -7.734 -4.942 3.894 1.00 72.14 H new ATOM 637 N ARG A 41 -4.827 -8.663 7.391 1.00 3.14 N ATOM 638 CA ARG A 41 -4.636 -9.128 8.791 1.00 73.41 C ATOM 639 C ARG A 41 -3.136 -9.126 9.139 1.00 22.25 C ATOM 640 O ARG A 41 -2.696 -8.397 10.023 1.00 3.24 O ATOM 641 CB ARG A 41 -5.183 -10.579 9.025 1.00 23.41 C ATOM 642 CG ARG A 41 -6.618 -10.905 8.541 1.00 11.33 C ATOM 643 CD ARG A 41 -7.734 -10.048 9.179 1.00 22.51 C ATOM 644 NE ARG A 41 -7.850 -8.704 8.574 1.00 25.10 N ATOM 645 CZ ARG A 41 -8.845 -8.294 7.775 1.00 72.04 C ATOM 646 NH1 ARG A 41 -9.850 -9.101 7.454 1.00 31.44 N ATOM 647 NH2 ARG A 41 -8.840 -7.059 7.306 1.00 53.44 N ATOM 0 H ARG A 41 -5.469 -9.245 6.853 1.00 3.14 H new ATOM 0 HA ARG A 41 -5.194 -8.441 9.427 1.00 73.41 H new ATOM 0 HB2 ARG A 41 -4.501 -11.275 8.537 1.00 23.41 H new ATOM 0 HB3 ARG A 41 -5.137 -10.784 10.095 1.00 23.41 H new ATOM 0 HG2 ARG A 41 -6.658 -10.779 7.459 1.00 11.33 H new ATOM 0 HG3 ARG A 41 -6.825 -11.955 8.747 1.00 11.33 H new ATOM 0 HD2 ARG A 41 -8.686 -10.569 9.078 1.00 22.51 H new ATOM 0 HD3 ARG A 41 -7.539 -9.944 10.246 1.00 22.51 H new ATOM 0 HE ARG A 41 -7.111 -8.033 8.782 1.00 25.10 H new ATOM 0 HH11 ARG A 41 -9.875 -10.054 7.817 1.00 31.44 H new ATOM 0 HH12 ARG A 41 -10.597 -8.768 6.844 1.00 31.44 H new ATOM 0 HH21 ARG A 41 -8.082 -6.423 7.552 1.00 53.44 H new ATOM 0 HH22 ARG A 41 -9.595 -6.741 6.698 1.00 53.44 H new ATOM 661 N ASP A 42 -2.373 -9.858 8.304 1.00 2.43 N ATOM 662 CA ASP A 42 -0.937 -10.105 8.491 1.00 60.31 C ATOM 663 C ASP A 42 -0.110 -8.804 8.350 1.00 41.11 C ATOM 664 O ASP A 42 0.902 -8.636 9.044 1.00 51.24 O ATOM 665 CB ASP A 42 -0.460 -11.166 7.457 1.00 61.00 C ATOM 666 CG ASP A 42 0.940 -11.734 7.768 1.00 54.10 C ATOM 667 OD1 ASP A 42 1.037 -12.698 8.560 1.00 34.33 O ATOM 668 OD2 ASP A 42 1.947 -11.221 7.233 1.00 70.24 O ATOM 0 H ASP A 42 -2.749 -10.301 7.466 1.00 2.43 H new ATOM 0 HA ASP A 42 -0.780 -10.480 9.503 1.00 60.31 H new ATOM 0 HB2 ASP A 42 -1.179 -11.985 7.429 1.00 61.00 H new ATOM 0 HB3 ASP A 42 -0.450 -10.717 6.464 1.00 61.00 H new ATOM 673 N ILE A 43 -0.570 -7.884 7.459 1.00 45.03 N ATOM 674 CA ILE A 43 0.128 -6.609 7.165 1.00 32.30 C ATOM 675 C ILE A 43 0.169 -5.715 8.417 1.00 22.11 C ATOM 676 O ILE A 43 1.247 -5.341 8.902 1.00 74.04 O ATOM 677 CB ILE A 43 -0.572 -5.840 5.969 1.00 4.01 C ATOM 678 CG1 ILE A 43 -0.473 -6.656 4.639 1.00 4.13 C ATOM 679 CG2 ILE A 43 0.015 -4.419 5.783 1.00 51.22 C ATOM 680 CD1 ILE A 43 -1.308 -6.100 3.494 1.00 72.23 C ATOM 0 H ILE A 43 -1.432 -8.008 6.928 1.00 45.03 H new ATOM 0 HA ILE A 43 1.150 -6.847 6.868 1.00 32.30 H new ATOM 0 HB ILE A 43 -1.626 -5.733 6.227 1.00 4.01 H new ATOM 0 HG12 ILE A 43 0.571 -6.692 4.327 1.00 4.13 H new ATOM 0 HG13 ILE A 43 -0.784 -7.683 4.833 1.00 4.13 H new ATOM 0 HG21 ILE A 43 -0.490 -3.923 4.954 1.00 51.22 H new ATOM 0 HG22 ILE A 43 -0.133 -3.842 6.696 1.00 51.22 H new ATOM 0 HG23 ILE A 43 1.081 -4.491 5.568 1.00 51.22 H new ATOM 0 HD11 ILE A 43 -1.179 -6.727 2.612 1.00 72.23 H new ATOM 0 HD12 ILE A 43 -2.359 -6.090 3.782 1.00 72.23 H new ATOM 0 HD13 ILE A 43 -0.984 -5.084 3.267 1.00 72.23 H new ATOM 692 N ILE A 44 -1.024 -5.436 8.957 1.00 3.34 N ATOM 693 CA ILE A 44 -1.213 -4.529 10.098 1.00 14.14 C ATOM 694 C ILE A 44 -0.619 -5.131 11.388 1.00 12.31 C ATOM 695 O ILE A 44 -0.160 -4.394 12.262 1.00 33.15 O ATOM 696 CB ILE A 44 -2.739 -4.182 10.247 1.00 51.22 C ATOM 697 CG1 ILE A 44 -3.254 -3.531 8.919 1.00 33.02 C ATOM 698 CG2 ILE A 44 -3.023 -3.266 11.469 1.00 64.34 C ATOM 699 CD1 ILE A 44 -4.733 -3.230 8.884 1.00 34.13 C ATOM 0 H ILE A 44 -1.895 -5.838 8.611 1.00 3.34 H new ATOM 0 HA ILE A 44 -0.673 -3.600 9.915 1.00 14.14 H new ATOM 0 HB ILE A 44 -3.281 -5.109 10.431 1.00 51.22 H new ATOM 0 HG12 ILE A 44 -2.706 -2.604 8.751 1.00 33.02 H new ATOM 0 HG13 ILE A 44 -3.015 -4.197 8.090 1.00 33.02 H new ATOM 0 HG21 ILE A 44 -4.091 -3.057 11.526 1.00 64.34 H new ATOM 0 HG22 ILE A 44 -2.702 -3.767 12.382 1.00 64.34 H new ATOM 0 HG23 ILE A 44 -2.475 -2.330 11.357 1.00 64.34 H new ATOM 0 HD11 ILE A 44 -4.990 -2.782 7.924 1.00 34.13 H new ATOM 0 HD12 ILE A 44 -5.296 -4.154 9.015 1.00 34.13 H new ATOM 0 HD13 ILE A 44 -4.982 -2.536 9.687 1.00 34.13 H new ATOM 711 N LYS A 45 -0.581 -6.482 11.461 1.00 32.32 N ATOM 712 CA LYS A 45 0.106 -7.205 12.552 1.00 31.02 C ATOM 713 C LYS A 45 1.626 -6.946 12.505 1.00 42.24 C ATOM 714 O LYS A 45 2.242 -6.707 13.544 1.00 32.32 O ATOM 715 CB LYS A 45 -0.196 -8.729 12.488 1.00 60.23 C ATOM 716 CG LYS A 45 -1.664 -9.089 12.811 1.00 11.31 C ATOM 717 CD LYS A 45 -2.010 -10.580 12.552 1.00 33.42 C ATOM 718 CE LYS A 45 -1.267 -11.555 13.476 1.00 51.31 C ATOM 719 NZ LYS A 45 -1.702 -12.967 13.266 1.00 24.14 N ATOM 0 H LYS A 45 -1.021 -7.094 10.773 1.00 32.32 H new ATOM 0 HA LYS A 45 -0.276 -6.827 13.500 1.00 31.02 H new ATOM 0 HB2 LYS A 45 0.047 -9.096 11.491 1.00 60.23 H new ATOM 0 HB3 LYS A 45 0.458 -9.249 13.188 1.00 60.23 H new ATOM 0 HG2 LYS A 45 -1.865 -8.854 13.856 1.00 11.31 H new ATOM 0 HG3 LYS A 45 -2.324 -8.462 12.211 1.00 11.31 H new ATOM 0 HD2 LYS A 45 -3.084 -10.722 12.677 1.00 33.42 H new ATOM 0 HD3 LYS A 45 -1.774 -10.824 11.516 1.00 33.42 H new ATOM 0 HE2 LYS A 45 -0.194 -11.476 13.299 1.00 51.31 H new ATOM 0 HE3 LYS A 45 -1.440 -11.273 14.515 1.00 51.31 H new ATOM 0 HZ1 LYS A 45 -1.176 -13.592 13.910 1.00 24.14 H new ATOM 0 HZ2 LYS A 45 -2.720 -13.049 13.460 1.00 24.14 H new ATOM 0 HZ3 LYS A 45 -1.513 -13.246 12.282 1.00 24.14 H new ATOM 733 N SER A 46 2.217 -6.958 11.294 1.00 34.43 N ATOM 734 CA SER A 46 3.661 -6.706 11.106 1.00 1.33 C ATOM 735 C SER A 46 4.015 -5.242 11.419 1.00 0.31 C ATOM 736 O SER A 46 5.116 -4.952 11.895 1.00 54.21 O ATOM 737 CB SER A 46 4.083 -7.053 9.666 1.00 64.21 C ATOM 738 OG SER A 46 5.489 -6.929 9.494 1.00 2.21 O ATOM 0 H SER A 46 1.713 -7.141 10.426 1.00 34.43 H new ATOM 0 HA SER A 46 4.205 -7.345 11.801 1.00 1.33 H new ATOM 0 HB2 SER A 46 3.774 -8.071 9.430 1.00 64.21 H new ATOM 0 HB3 SER A 46 3.570 -6.394 8.966 1.00 64.21 H new ATOM 0 HG SER A 46 5.727 -7.157 8.571 1.00 2.21 H new ATOM 744 N MET A 47 3.057 -4.328 11.165 1.00 62.44 N ATOM 745 CA MET A 47 3.218 -2.889 11.463 1.00 14.51 C ATOM 746 C MET A 47 3.268 -2.626 12.986 1.00 50.13 C ATOM 747 O MET A 47 3.638 -1.533 13.420 1.00 2.51 O ATOM 748 CB MET A 47 2.076 -2.069 10.812 1.00 25.24 C ATOM 749 CG MET A 47 1.995 -2.203 9.283 1.00 21.14 C ATOM 750 SD MET A 47 3.549 -1.805 8.453 1.00 45.24 S ATOM 751 CE MET A 47 3.757 -0.075 8.859 1.00 23.23 C ATOM 0 H MET A 47 2.155 -4.563 10.750 1.00 62.44 H new ATOM 0 HA MET A 47 4.169 -2.569 11.038 1.00 14.51 H new ATOM 0 HB2 MET A 47 1.126 -2.384 11.244 1.00 25.24 H new ATOM 0 HB3 MET A 47 2.208 -1.017 11.067 1.00 25.24 H new ATOM 0 HG2 MET A 47 1.705 -3.222 9.029 1.00 21.14 H new ATOM 0 HG3 MET A 47 1.211 -1.545 8.908 1.00 21.14 H new ATOM 0 HE1 MET A 47 4.237 0.439 8.026 1.00 23.23 H new ATOM 0 HE2 MET A 47 2.782 0.374 9.049 1.00 23.23 H new ATOM 0 HE3 MET A 47 4.379 0.018 9.749 1.00 23.23 H new ATOM 761 N LYS A 48 2.872 -3.637 13.782 1.00 24.30 N ATOM 762 CA LYS A 48 2.950 -3.595 15.250 1.00 74.31 C ATOM 763 C LYS A 48 4.347 -4.056 15.719 1.00 61.53 C ATOM 764 O LYS A 48 5.039 -3.335 16.445 1.00 41.14 O ATOM 765 CB LYS A 48 1.860 -4.515 15.863 1.00 75.33 C ATOM 766 CG LYS A 48 0.429 -4.220 15.377 1.00 62.44 C ATOM 767 CD LYS A 48 -0.607 -5.201 15.967 1.00 73.12 C ATOM 768 CE LYS A 48 -2.029 -4.941 15.467 1.00 33.45 C ATOM 769 NZ LYS A 48 -3.011 -5.862 16.100 1.00 43.23 N ATOM 0 H LYS A 48 2.487 -4.510 13.420 1.00 24.30 H new ATOM 0 HA LYS A 48 2.783 -2.571 15.584 1.00 74.31 H new ATOM 0 HB2 LYS A 48 2.103 -5.551 15.629 1.00 75.33 H new ATOM 0 HB3 LYS A 48 1.889 -4.418 16.948 1.00 75.33 H new ATOM 0 HG2 LYS A 48 0.158 -3.201 15.652 1.00 62.44 H new ATOM 0 HG3 LYS A 48 0.399 -4.275 14.289 1.00 62.44 H new ATOM 0 HD2 LYS A 48 -0.319 -6.221 15.713 1.00 73.12 H new ATOM 0 HD3 LYS A 48 -0.591 -5.127 17.054 1.00 73.12 H new ATOM 0 HE2 LYS A 48 -2.307 -3.909 15.681 1.00 33.45 H new ATOM 0 HE3 LYS A 48 -2.062 -5.062 14.384 1.00 33.45 H new ATOM 0 HZ1 LYS A 48 -3.422 -6.484 15.374 1.00 43.23 H new ATOM 0 HZ2 LYS A 48 -2.531 -6.440 16.820 1.00 43.23 H new ATOM 0 HZ3 LYS A 48 -3.768 -5.307 16.549 1.00 43.23 H new ATOM 816 N LYS A 52 8.124 0.381 10.338 1.00 13.20 N ATOM 817 CA LYS A 52 8.758 0.839 9.063 1.00 25.35 C ATOM 818 C LYS A 52 7.754 1.612 8.165 1.00 12.44 C ATOM 819 O LYS A 52 6.541 1.521 8.363 1.00 74.13 O ATOM 820 CB LYS A 52 9.418 -0.348 8.268 1.00 11.12 C ATOM 821 CG LYS A 52 10.542 -1.137 8.996 1.00 52.31 C ATOM 822 CD LYS A 52 11.890 -0.367 9.154 1.00 65.24 C ATOM 823 CE LYS A 52 11.911 0.668 10.295 1.00 5.25 C ATOM 824 NZ LYS A 52 13.262 1.277 10.462 1.00 23.11 N ATOM 0 HA LYS A 52 9.554 1.527 9.346 1.00 25.35 H new ATOM 0 HB2 LYS A 52 8.632 -1.051 7.993 1.00 11.12 H new ATOM 0 HB3 LYS A 52 9.828 0.051 7.340 1.00 11.12 H new ATOM 0 HG2 LYS A 52 10.184 -1.420 9.986 1.00 52.31 H new ATOM 0 HG3 LYS A 52 10.730 -2.061 8.449 1.00 52.31 H new ATOM 0 HD2 LYS A 52 12.688 -1.090 9.323 1.00 65.24 H new ATOM 0 HD3 LYS A 52 12.114 0.142 8.216 1.00 65.24 H new ATOM 0 HE2 LYS A 52 11.182 1.451 10.089 1.00 5.25 H new ATOM 0 HE3 LYS A 52 11.610 0.189 11.227 1.00 5.25 H new ATOM 0 HZ1 LYS A 52 13.238 1.968 11.239 1.00 23.11 H new ATOM 0 HZ2 LYS A 52 13.954 0.532 10.683 1.00 23.11 H new ATOM 0 HZ3 LYS A 52 13.538 1.756 9.581 1.00 23.11 H new ATOM 838 N PRO A 53 8.247 2.447 7.192 1.00 62.34 N ATOM 839 CA PRO A 53 7.398 2.919 6.078 1.00 50.45 C ATOM 840 C PRO A 53 7.058 1.731 5.150 1.00 4.11 C ATOM 841 O PRO A 53 7.946 0.999 4.723 1.00 64.33 O ATOM 842 CB PRO A 53 8.281 3.983 5.376 1.00 41.43 C ATOM 843 CG PRO A 53 9.691 3.597 5.719 1.00 70.13 C ATOM 844 CD PRO A 53 9.622 3.036 7.125 1.00 73.51 C ATOM 0 HA PRO A 53 6.440 3.336 6.389 1.00 50.45 H new ATOM 0 HB2 PRO A 53 8.121 3.981 4.298 1.00 41.43 H new ATOM 0 HB3 PRO A 53 8.048 4.987 5.731 1.00 41.43 H new ATOM 0 HG2 PRO A 53 10.077 2.856 5.019 1.00 70.13 H new ATOM 0 HG3 PRO A 53 10.357 4.458 5.672 1.00 70.13 H new ATOM 0 HD2 PRO A 53 10.391 2.283 7.296 1.00 73.51 H new ATOM 0 HD3 PRO A 53 9.764 3.813 7.876 1.00 73.51 H new ATOM 852 N LEU A 54 5.774 1.522 4.879 1.00 2.15 N ATOM 853 CA LEU A 54 5.303 0.400 4.053 1.00 10.04 C ATOM 854 C LEU A 54 4.456 0.966 2.911 1.00 51.21 C ATOM 855 O LEU A 54 4.076 2.132 2.943 1.00 63.43 O ATOM 856 CB LEU A 54 4.493 -0.602 4.939 1.00 23.32 C ATOM 857 CG LEU A 54 4.386 -2.063 4.392 1.00 11.03 C ATOM 858 CD1 LEU A 54 5.768 -2.749 4.364 1.00 70.10 C ATOM 859 CD2 LEU A 54 3.370 -2.898 5.194 1.00 1.45 C ATOM 0 H LEU A 54 5.025 2.122 5.223 1.00 2.15 H new ATOM 0 HA LEU A 54 6.142 -0.149 3.626 1.00 10.04 H new ATOM 0 HB2 LEU A 54 4.952 -0.637 5.927 1.00 23.32 H new ATOM 0 HB3 LEU A 54 3.485 -0.209 5.070 1.00 23.32 H new ATOM 0 HG LEU A 54 4.020 -2.000 3.367 1.00 11.03 H new ATOM 0 HD11 LEU A 54 5.663 -3.763 3.979 1.00 70.10 H new ATOM 0 HD12 LEU A 54 6.441 -2.184 3.719 1.00 70.10 H new ATOM 0 HD13 LEU A 54 6.177 -2.784 5.374 1.00 70.10 H new ATOM 0 HD21 LEU A 54 3.324 -3.907 4.784 1.00 1.45 H new ATOM 0 HD22 LEU A 54 3.680 -2.944 6.238 1.00 1.45 H new ATOM 0 HD23 LEU A 54 2.386 -2.434 5.129 1.00 1.45 H new ATOM 871 N VAL A 55 4.158 0.137 1.906 1.00 42.34 N ATOM 872 CA VAL A 55 3.394 0.536 0.713 1.00 11.44 C ATOM 873 C VAL A 55 2.542 -0.667 0.282 1.00 24.43 C ATOM 874 O VAL A 55 3.068 -1.631 -0.273 1.00 5.10 O ATOM 875 CB VAL A 55 4.306 0.997 -0.501 1.00 65.44 C ATOM 876 CG1 VAL A 55 3.438 1.395 -1.713 1.00 21.41 C ATOM 877 CG2 VAL A 55 5.263 2.154 -0.118 1.00 12.00 C ATOM 0 H VAL A 55 4.443 -0.842 1.895 1.00 42.34 H new ATOM 0 HA VAL A 55 2.784 1.400 0.979 1.00 11.44 H new ATOM 0 HB VAL A 55 4.927 0.143 -0.772 1.00 65.44 H new ATOM 0 HG11 VAL A 55 4.082 1.708 -2.535 1.00 21.41 H new ATOM 0 HG12 VAL A 55 2.838 0.541 -2.027 1.00 21.41 H new ATOM 0 HG13 VAL A 55 2.780 2.218 -1.434 1.00 21.41 H new ATOM 0 HG21 VAL A 55 5.864 2.431 -0.984 1.00 12.00 H new ATOM 0 HG22 VAL A 55 4.680 3.015 0.210 1.00 12.00 H new ATOM 0 HG23 VAL A 55 5.919 1.831 0.690 1.00 12.00 H new ATOM 887 N VAL A 56 1.235 -0.625 0.579 1.00 45.01 N ATOM 888 CA VAL A 56 0.305 -1.723 0.266 1.00 33.53 C ATOM 889 C VAL A 56 -0.517 -1.389 -0.995 1.00 31.23 C ATOM 890 O VAL A 56 -1.310 -0.443 -1.002 1.00 12.34 O ATOM 891 CB VAL A 56 -0.634 -2.038 1.495 1.00 32.22 C ATOM 892 CG1 VAL A 56 -1.766 -3.025 1.126 1.00 2.12 C ATOM 893 CG2 VAL A 56 0.199 -2.589 2.674 1.00 31.51 C ATOM 0 H VAL A 56 0.792 0.169 1.042 1.00 45.01 H new ATOM 0 HA VAL A 56 0.889 -2.620 0.062 1.00 33.53 H new ATOM 0 HB VAL A 56 -1.107 -1.103 1.794 1.00 32.22 H new ATOM 0 HG11 VAL A 56 -2.386 -3.212 2.003 1.00 2.12 H new ATOM 0 HG12 VAL A 56 -2.379 -2.596 0.333 1.00 2.12 H new ATOM 0 HG13 VAL A 56 -1.332 -3.964 0.782 1.00 2.12 H new ATOM 0 HG21 VAL A 56 -0.459 -2.803 3.516 1.00 31.51 H new ATOM 0 HG22 VAL A 56 0.704 -3.505 2.366 1.00 31.51 H new ATOM 0 HG23 VAL A 56 0.941 -1.849 2.972 1.00 31.51 H new ATOM 903 N PHE A 57 -0.308 -2.190 -2.046 1.00 31.30 N ATOM 904 CA PHE A 57 -1.009 -2.080 -3.324 1.00 31.02 C ATOM 905 C PHE A 57 -2.311 -2.899 -3.264 1.00 45.11 C ATOM 906 O PHE A 57 -2.270 -4.137 -3.209 1.00 21.12 O ATOM 907 CB PHE A 57 -0.101 -2.615 -4.468 1.00 2.23 C ATOM 908 CG PHE A 57 1.146 -1.772 -4.753 1.00 51.43 C ATOM 909 CD1 PHE A 57 2.340 -1.971 -4.053 1.00 34.30 C ATOM 910 CD2 PHE A 57 1.120 -0.772 -5.728 1.00 61.54 C ATOM 911 CE1 PHE A 57 3.458 -1.201 -4.322 1.00 50.41 C ATOM 912 CE2 PHE A 57 2.239 -0.007 -5.991 1.00 33.35 C ATOM 913 CZ PHE A 57 3.405 -0.219 -5.288 1.00 35.35 C ATOM 0 H PHE A 57 0.371 -2.951 -2.028 1.00 31.30 H new ATOM 0 HA PHE A 57 -1.248 -1.035 -3.519 1.00 31.02 H new ATOM 0 HB2 PHE A 57 0.213 -3.628 -4.218 1.00 2.23 H new ATOM 0 HB3 PHE A 57 -0.693 -2.681 -5.381 1.00 2.23 H new ATOM 0 HD1 PHE A 57 2.390 -2.736 -3.292 1.00 34.30 H new ATOM 0 HD2 PHE A 57 0.211 -0.595 -6.284 1.00 61.54 H new ATOM 0 HE1 PHE A 57 4.373 -1.370 -3.774 1.00 50.41 H new ATOM 0 HE2 PHE A 57 2.200 0.760 -6.750 1.00 33.35 H new ATOM 0 HZ PHE A 57 4.277 0.384 -5.494 1.00 35.35 H new ATOM 923 N VAL A 58 -3.454 -2.202 -3.248 1.00 64.22 N ATOM 924 CA VAL A 58 -4.777 -2.836 -3.318 1.00 10.11 C ATOM 925 C VAL A 58 -4.983 -3.352 -4.748 1.00 11.34 C ATOM 926 O VAL A 58 -5.384 -2.599 -5.637 1.00 63.15 O ATOM 927 CB VAL A 58 -5.936 -1.844 -2.919 1.00 52.25 C ATOM 928 CG1 VAL A 58 -7.327 -2.507 -3.064 1.00 51.32 C ATOM 929 CG2 VAL A 58 -5.728 -1.299 -1.488 1.00 73.13 C ATOM 0 H VAL A 58 -3.488 -1.184 -3.186 1.00 64.22 H new ATOM 0 HA VAL A 58 -4.813 -3.657 -2.602 1.00 10.11 H new ATOM 0 HB VAL A 58 -5.901 -1.002 -3.611 1.00 52.25 H new ATOM 0 HG11 VAL A 58 -8.101 -1.794 -2.781 1.00 51.32 H new ATOM 0 HG12 VAL A 58 -7.478 -2.814 -4.099 1.00 51.32 H new ATOM 0 HG13 VAL A 58 -7.383 -3.381 -2.415 1.00 51.32 H new ATOM 0 HG21 VAL A 58 -6.540 -0.617 -1.237 1.00 73.13 H new ATOM 0 HG22 VAL A 58 -5.718 -2.128 -0.781 1.00 73.13 H new ATOM 0 HG23 VAL A 58 -4.778 -0.767 -1.436 1.00 73.13 H new ATOM 939 N ASN A 59 -4.620 -4.617 -4.971 1.00 33.05 N ATOM 940 CA ASN A 59 -4.685 -5.249 -6.293 1.00 25.12 C ATOM 941 C ASN A 59 -5.653 -6.432 -6.239 1.00 63.33 C ATOM 942 O ASN A 59 -5.337 -7.465 -5.643 1.00 61.31 O ATOM 943 CB ASN A 59 -3.272 -5.704 -6.722 1.00 13.34 C ATOM 944 CG ASN A 59 -3.242 -6.270 -8.144 1.00 12.33 C ATOM 945 OD1 ASN A 59 -3.077 -5.530 -9.116 1.00 11.32 O ATOM 946 ND2 ASN A 59 -3.403 -7.578 -8.276 1.00 72.11 N ATOM 0 H ASN A 59 -4.271 -5.235 -4.238 1.00 33.05 H new ATOM 0 HA ASN A 59 -5.050 -4.535 -7.031 1.00 25.12 H new ATOM 0 HB2 ASN A 59 -2.587 -4.859 -6.657 1.00 13.34 H new ATOM 0 HB3 ASN A 59 -2.911 -6.461 -6.026 1.00 13.34 H new ATOM 0 HD21 ASN A 59 -3.393 -8.002 -9.204 1.00 72.11 H new ATOM 0 HD22 ASN A 59 -3.537 -8.161 -7.450 1.00 72.11 H new ATOM 953 N GLY A 60 -6.845 -6.255 -6.832 1.00 70.22 N ATOM 954 CA GLY A 60 -7.881 -7.290 -6.850 1.00 2.12 C ATOM 955 C GLY A 60 -8.847 -7.167 -5.676 1.00 11.14 C ATOM 956 O GLY A 60 -10.041 -7.450 -5.822 1.00 2.32 O ATOM 0 H GLY A 60 -7.113 -5.394 -7.309 1.00 70.22 H new ATOM 0 HA2 GLY A 60 -8.439 -7.225 -7.784 1.00 2.12 H new ATOM 0 HA3 GLY A 60 -7.410 -8.272 -6.828 1.00 2.12 H new ATOM 960 N ALA A 61 -8.319 -6.744 -4.505 1.00 24.13 N ATOM 961 CA ALA A 61 -9.116 -6.513 -3.287 1.00 74.33 C ATOM 962 C ALA A 61 -10.191 -5.433 -3.524 1.00 13.02 C ATOM 963 O ALA A 61 -9.898 -4.393 -4.130 1.00 42.53 O ATOM 964 CB ALA A 61 -8.187 -6.106 -2.135 1.00 12.20 C ATOM 0 H ALA A 61 -7.324 -6.554 -4.382 1.00 24.13 H new ATOM 0 HA ALA A 61 -9.629 -7.438 -3.024 1.00 74.33 H new ATOM 0 HB1 ALA A 61 -8.777 -5.935 -1.235 1.00 12.20 H new ATOM 0 HB2 ALA A 61 -7.466 -6.902 -1.951 1.00 12.20 H new ATOM 0 HB3 ALA A 61 -7.657 -5.191 -2.401 1.00 12.20 H new ATOM 970 N SER A 62 -11.423 -5.690 -3.048 1.00 71.12 N ATOM 971 CA SER A 62 -12.562 -4.765 -3.224 1.00 71.22 C ATOM 972 C SER A 62 -12.480 -3.596 -2.221 1.00 62.21 C ATOM 973 O SER A 62 -11.565 -3.535 -1.379 1.00 4.21 O ATOM 974 CB SER A 62 -13.899 -5.538 -3.069 1.00 71.43 C ATOM 975 OG SER A 62 -14.057 -6.059 -1.761 1.00 24.42 O ATOM 0 H SER A 62 -11.658 -6.539 -2.533 1.00 71.12 H new ATOM 0 HA SER A 62 -12.519 -4.342 -4.228 1.00 71.22 H new ATOM 0 HB2 SER A 62 -14.732 -4.873 -3.299 1.00 71.43 H new ATOM 0 HB3 SER A 62 -13.933 -6.353 -3.792 1.00 71.43 H new ATOM 0 HG SER A 62 -13.180 -6.303 -1.398 1.00 24.42 H new ATOM 981 N GLN A 63 -13.454 -2.672 -2.319 1.00 60.22 N ATOM 982 CA GLN A 63 -13.565 -1.513 -1.419 1.00 13.12 C ATOM 983 C GLN A 63 -13.849 -1.980 0.025 1.00 23.42 C ATOM 984 O GLN A 63 -13.440 -1.321 0.976 1.00 72.31 O ATOM 985 CB GLN A 63 -14.658 -0.531 -1.930 1.00 63.45 C ATOM 986 CG GLN A 63 -14.791 0.780 -1.118 1.00 40.01 C ATOM 987 CD GLN A 63 -13.500 1.609 -1.020 1.00 52.33 C ATOM 988 OE1 GLN A 63 -12.685 1.639 -2.072 1.00 35.35 O flip ATOM 989 NE2 GLN A 63 -13.257 2.263 -0.009 1.00 21.23 N flip ATOM 0 H GLN A 63 -14.187 -2.710 -3.027 1.00 60.22 H new ATOM 0 HA GLN A 63 -12.616 -0.976 -1.413 1.00 13.12 H new ATOM 0 HB2 GLN A 63 -14.441 -0.278 -2.968 1.00 63.45 H new ATOM 0 HB3 GLN A 63 -15.619 -1.045 -1.922 1.00 63.45 H new ATOM 0 HG2 GLN A 63 -15.568 1.395 -1.572 1.00 40.01 H new ATOM 0 HG3 GLN A 63 -15.127 0.535 -0.110 1.00 40.01 H new ATOM 0 HE21 GLN A 63 -13.894 2.227 0.787 1.00 21.23 H new ATOM 0 HE22 GLN A 63 -12.418 2.842 0.034 1.00 21.23 H new ATOM 998 N ASN A 64 -14.519 -3.150 0.152 1.00 62.51 N ATOM 999 CA ASN A 64 -14.728 -3.843 1.443 1.00 53.03 C ATOM 1000 C ASN A 64 -13.384 -4.056 2.167 1.00 34.43 C ATOM 1001 O ASN A 64 -13.235 -3.689 3.334 1.00 13.43 O ATOM 1002 CB ASN A 64 -15.423 -5.216 1.212 1.00 33.23 C ATOM 1003 CG ASN A 64 -16.844 -5.099 0.657 1.00 73.44 C ATOM 1004 OD1 ASN A 64 -17.597 -4.188 1.014 1.00 62.20 O ATOM 1005 ND2 ASN A 64 -17.222 -6.005 -0.236 1.00 74.51 N ATOM 0 H ASN A 64 -14.931 -3.640 -0.642 1.00 62.51 H new ATOM 0 HA ASN A 64 -15.368 -3.219 2.066 1.00 53.03 H new ATOM 0 HB2 ASN A 64 -14.820 -5.807 0.522 1.00 33.23 H new ATOM 0 HB3 ASN A 64 -15.454 -5.761 2.155 1.00 33.23 H new ATOM 0 HD21 ASN A 64 -18.155 -5.959 -0.645 1.00 74.51 H new ATOM 0 HD22 ASN A 64 -16.579 -6.747 -0.513 1.00 74.51 H new ATOM 1012 N ASP A 65 -12.399 -4.579 1.411 1.00 75.51 N ATOM 1013 CA ASP A 65 -11.050 -4.888 1.921 1.00 4.25 C ATOM 1014 C ASP A 65 -10.290 -3.593 2.273 1.00 52.34 C ATOM 1015 O ASP A 65 -9.631 -3.520 3.316 1.00 5.21 O ATOM 1016 CB ASP A 65 -10.246 -5.691 0.872 1.00 32.40 C ATOM 1017 CG ASP A 65 -10.870 -7.051 0.507 1.00 74.10 C ATOM 1018 OD1 ASP A 65 -11.725 -7.106 -0.404 1.00 63.11 O ATOM 1019 OD2 ASP A 65 -10.518 -8.071 1.132 1.00 4.11 O ATOM 0 H ASP A 65 -12.519 -4.800 0.422 1.00 75.51 H new ATOM 0 HA ASP A 65 -11.161 -5.489 2.824 1.00 4.25 H new ATOM 0 HB2 ASP A 65 -10.151 -5.092 -0.034 1.00 32.40 H new ATOM 0 HB3 ASP A 65 -9.238 -5.856 1.252 1.00 32.40 H new ATOM 1024 N VAL A 66 -10.414 -2.575 1.391 1.00 35.32 N ATOM 1025 CA VAL A 66 -9.796 -1.238 1.582 1.00 20.22 C ATOM 1026 C VAL A 66 -10.223 -0.642 2.934 1.00 74.22 C ATOM 1027 O VAL A 66 -9.391 -0.145 3.711 1.00 33.53 O ATOM 1028 CB VAL A 66 -10.208 -0.248 0.425 1.00 14.43 C ATOM 1029 CG1 VAL A 66 -9.715 1.191 0.692 1.00 33.24 C ATOM 1030 CG2 VAL A 66 -9.700 -0.754 -0.941 1.00 5.41 C ATOM 0 H VAL A 66 -10.946 -2.655 0.524 1.00 35.32 H new ATOM 0 HA VAL A 66 -8.714 -1.368 1.563 1.00 20.22 H new ATOM 0 HB VAL A 66 -11.297 -0.220 0.400 1.00 14.43 H new ATOM 0 HG11 VAL A 66 -10.021 1.839 -0.130 1.00 33.24 H new ATOM 0 HG12 VAL A 66 -10.148 1.557 1.623 1.00 33.24 H new ATOM 0 HG13 VAL A 66 -8.628 1.194 0.771 1.00 33.24 H new ATOM 0 HG21 VAL A 66 -9.997 -0.054 -1.722 1.00 5.41 H new ATOM 0 HG22 VAL A 66 -8.613 -0.833 -0.919 1.00 5.41 H new ATOM 0 HG23 VAL A 66 -10.130 -1.734 -1.149 1.00 5.41 H new ATOM 1040 N ASN A 67 -11.535 -0.739 3.198 1.00 14.54 N ATOM 1041 CA ASN A 67 -12.156 -0.236 4.429 1.00 73.32 C ATOM 1042 C ASN A 67 -11.692 -1.032 5.656 1.00 65.24 C ATOM 1043 O ASN A 67 -11.476 -0.448 6.707 1.00 70.43 O ATOM 1044 CB ASN A 67 -13.705 -0.252 4.313 1.00 62.41 C ATOM 1045 CG ASN A 67 -14.220 0.645 3.181 1.00 54.14 C ATOM 1046 OD1 ASN A 67 -13.611 1.663 2.847 1.00 2.23 O ATOM 1047 ND2 ASN A 67 -15.337 0.273 2.581 1.00 1.34 N ATOM 0 H ASN A 67 -12.199 -1.173 2.556 1.00 14.54 H new ATOM 0 HA ASN A 67 -11.834 0.797 4.564 1.00 73.32 H new ATOM 0 HB2 ASN A 67 -14.043 -1.274 4.144 1.00 62.41 H new ATOM 0 HB3 ASN A 67 -14.140 0.075 5.257 1.00 62.41 H new ATOM 0 HD21 ASN A 67 -15.718 0.834 1.819 1.00 1.34 H new ATOM 0 HD22 ASN A 67 -15.819 -0.575 2.880 1.00 1.34 H new ATOM 1054 N GLU A 68 -11.514 -2.367 5.499 1.00 71.11 N ATOM 1055 CA GLU A 68 -11.013 -3.242 6.592 1.00 11.50 C ATOM 1056 C GLU A 68 -9.594 -2.852 7.012 1.00 73.12 C ATOM 1057 O GLU A 68 -9.278 -2.850 8.199 1.00 44.42 O ATOM 1058 CB GLU A 68 -11.018 -4.732 6.183 1.00 72.20 C ATOM 1059 CG GLU A 68 -12.410 -5.307 5.909 1.00 55.20 C ATOM 1060 CD GLU A 68 -12.373 -6.800 5.585 1.00 20.53 C ATOM 1061 OE1 GLU A 68 -12.139 -7.606 6.512 1.00 3.24 O ATOM 1062 OE2 GLU A 68 -12.576 -7.177 4.414 1.00 65.12 O ATOM 0 H GLU A 68 -11.709 -2.862 4.629 1.00 71.11 H new ATOM 0 HA GLU A 68 -11.693 -3.102 7.432 1.00 11.50 H new ATOM 0 HB2 GLU A 68 -10.406 -4.853 5.289 1.00 72.20 H new ATOM 0 HB3 GLU A 68 -10.546 -5.315 6.974 1.00 72.20 H new ATOM 0 HG2 GLU A 68 -13.045 -5.143 6.780 1.00 55.20 H new ATOM 0 HG3 GLU A 68 -12.864 -4.769 5.077 1.00 55.20 H new ATOM 1069 N PHE A 69 -8.758 -2.531 6.008 1.00 44.23 N ATOM 1070 CA PHE A 69 -7.384 -2.072 6.229 1.00 1.33 C ATOM 1071 C PHE A 69 -7.391 -0.798 7.077 1.00 14.51 C ATOM 1072 O PHE A 69 -6.731 -0.732 8.107 1.00 73.42 O ATOM 1073 CB PHE A 69 -6.655 -1.820 4.881 1.00 40.14 C ATOM 1074 CG PHE A 69 -5.209 -1.349 5.047 1.00 72.13 C ATOM 1075 CD1 PHE A 69 -4.175 -2.270 5.221 1.00 0.51 C ATOM 1076 CD2 PHE A 69 -4.884 0.016 5.053 1.00 62.32 C ATOM 1077 CE1 PHE A 69 -2.873 -1.845 5.391 1.00 0.15 C ATOM 1078 CE2 PHE A 69 -3.582 0.433 5.222 1.00 71.35 C ATOM 1079 CZ PHE A 69 -2.580 -0.498 5.391 1.00 32.43 C ATOM 0 H PHE A 69 -9.020 -2.584 5.024 1.00 44.23 H new ATOM 0 HA PHE A 69 -6.842 -2.853 6.762 1.00 1.33 H new ATOM 0 HB2 PHE A 69 -6.664 -2.739 4.295 1.00 40.14 H new ATOM 0 HB3 PHE A 69 -7.209 -1.073 4.312 1.00 40.14 H new ATOM 0 HD1 PHE A 69 -4.396 -3.327 5.223 1.00 0.51 H new ATOM 0 HD2 PHE A 69 -5.666 0.750 4.923 1.00 62.32 H new ATOM 0 HE1 PHE A 69 -2.083 -2.569 5.524 1.00 0.15 H new ATOM 0 HE2 PHE A 69 -3.347 1.487 5.222 1.00 71.35 H new ATOM 0 HZ PHE A 69 -1.560 -0.170 5.524 1.00 32.43 H new ATOM 1089 N GLN A 70 -8.159 0.196 6.609 1.00 31.34 N ATOM 1090 CA GLN A 70 -8.300 1.490 7.278 1.00 64.11 C ATOM 1091 C GLN A 70 -8.852 1.350 8.713 1.00 62.11 C ATOM 1092 O GLN A 70 -8.316 1.966 9.627 1.00 21.41 O ATOM 1093 CB GLN A 70 -9.193 2.421 6.428 1.00 35.04 C ATOM 1094 CG GLN A 70 -8.608 2.751 5.036 1.00 74.35 C ATOM 1095 CD GLN A 70 -9.475 3.694 4.203 1.00 15.34 C ATOM 1096 OE1 GLN A 70 -10.214 4.523 4.735 1.00 65.53 O ATOM 1097 NE2 GLN A 70 -9.352 3.610 2.889 1.00 12.42 N ATOM 0 H GLN A 70 -8.702 0.121 5.749 1.00 31.34 H new ATOM 0 HA GLN A 70 -7.307 1.930 7.370 1.00 64.11 H new ATOM 0 HB2 GLN A 70 -10.169 1.954 6.299 1.00 35.04 H new ATOM 0 HB3 GLN A 70 -9.354 3.351 6.973 1.00 35.04 H new ATOM 0 HG2 GLN A 70 -7.623 3.199 5.165 1.00 74.35 H new ATOM 0 HG3 GLN A 70 -8.466 1.822 4.484 1.00 74.35 H new ATOM 0 HE21 GLN A 70 -8.731 2.912 2.478 1.00 12.42 H new ATOM 0 HE22 GLN A 70 -9.878 4.243 2.286 1.00 12.42 H new ATOM 1106 N ASN A 71 -9.891 0.501 8.892 1.00 14.35 N ATOM 1107 CA ASN A 71 -10.550 0.287 10.207 1.00 13.51 C ATOM 1108 C ASN A 71 -9.591 -0.333 11.241 1.00 4.33 C ATOM 1109 O ASN A 71 -9.435 0.207 12.348 1.00 0.31 O ATOM 1110 CB ASN A 71 -11.855 -0.575 10.086 1.00 62.00 C ATOM 1111 CG ASN A 71 -13.110 0.261 9.774 1.00 51.05 C ATOM 1112 OD1 ASN A 71 -13.730 0.828 10.675 1.00 43.33 O ATOM 1113 ND2 ASN A 71 -13.527 0.304 8.523 1.00 60.34 N ATOM 0 H ASN A 71 -10.295 -0.052 8.137 1.00 14.35 H new ATOM 0 HA ASN A 71 -10.837 1.277 10.563 1.00 13.51 H new ATOM 0 HB2 ASN A 71 -11.719 -1.320 9.302 1.00 62.00 H new ATOM 0 HB3 ASN A 71 -12.011 -1.118 11.018 1.00 62.00 H new ATOM 0 HD21 ASN A 71 -14.378 0.814 8.286 1.00 60.34 H new ATOM 0 HD22 ASN A 71 -12.998 -0.173 7.792 1.00 60.34 H new ATOM 1120 N GLU A 72 -8.966 -1.474 10.884 1.00 32.14 N ATOM 1121 CA GLU A 72 -7.989 -2.146 11.760 1.00 41.14 C ATOM 1122 C GLU A 72 -6.783 -1.242 12.054 1.00 45.13 C ATOM 1123 O GLU A 72 -6.431 -1.061 13.213 1.00 55.21 O ATOM 1124 CB GLU A 72 -7.508 -3.488 11.159 1.00 1.43 C ATOM 1125 CG GLU A 72 -8.629 -4.501 10.863 1.00 71.15 C ATOM 1126 CD GLU A 72 -8.103 -5.856 10.369 1.00 41.10 C ATOM 1127 OE1 GLU A 72 -7.256 -5.878 9.441 1.00 63.52 O ATOM 1128 OE2 GLU A 72 -8.513 -6.906 10.919 1.00 15.42 O ATOM 0 H GLU A 72 -9.122 -1.948 9.994 1.00 32.14 H new ATOM 0 HA GLU A 72 -8.503 -2.356 12.698 1.00 41.14 H new ATOM 0 HB2 GLU A 72 -6.969 -3.283 10.234 1.00 1.43 H new ATOM 0 HB3 GLU A 72 -6.797 -3.945 11.848 1.00 1.43 H new ATOM 0 HG2 GLU A 72 -9.219 -4.655 11.766 1.00 71.15 H new ATOM 0 HG3 GLU A 72 -9.299 -4.083 10.112 1.00 71.15 H new ATOM 1135 N ALA A 73 -6.200 -0.637 11.002 1.00 15.43 N ATOM 1136 CA ALA A 73 -4.996 0.208 11.140 1.00 23.23 C ATOM 1137 C ALA A 73 -5.244 1.379 12.107 1.00 24.24 C ATOM 1138 O ALA A 73 -4.477 1.575 13.056 1.00 42.24 O ATOM 1139 CB ALA A 73 -4.522 0.721 9.770 1.00 64.24 C ATOM 0 H ALA A 73 -6.543 -0.717 10.045 1.00 15.43 H new ATOM 0 HA ALA A 73 -4.204 -0.411 11.562 1.00 23.23 H new ATOM 0 HB1 ALA A 73 -3.635 1.340 9.901 1.00 64.24 H new ATOM 0 HB2 ALA A 73 -4.282 -0.126 9.127 1.00 64.24 H new ATOM 0 HB3 ALA A 73 -5.313 1.313 9.310 1.00 64.24 H new ATOM 1145 N LYS A 74 -6.359 2.107 11.881 1.00 1.24 N ATOM 1146 CA LYS A 74 -6.720 3.271 12.705 1.00 3.24 C ATOM 1147 C LYS A 74 -6.909 2.893 14.193 1.00 21.32 C ATOM 1148 O LYS A 74 -6.356 3.575 15.068 1.00 11.03 O ATOM 1149 CB LYS A 74 -7.968 4.016 12.131 1.00 22.13 C ATOM 1150 CG LYS A 74 -9.324 3.294 12.258 1.00 44.40 C ATOM 1151 CD LYS A 74 -10.467 3.979 11.473 1.00 20.20 C ATOM 1152 CE LYS A 74 -10.797 5.390 11.982 1.00 1.11 C ATOM 1153 NZ LYS A 74 -11.206 5.389 13.413 1.00 62.05 N ATOM 0 H LYS A 74 -7.022 1.905 11.133 1.00 1.24 H new ATOM 0 HA LYS A 74 -5.881 3.965 12.662 1.00 3.24 H new ATOM 0 HB2 LYS A 74 -8.048 4.981 12.631 1.00 22.13 H new ATOM 0 HB3 LYS A 74 -7.788 4.218 11.075 1.00 22.13 H new ATOM 0 HG2 LYS A 74 -9.215 2.269 11.904 1.00 44.40 H new ATOM 0 HG3 LYS A 74 -9.600 3.240 13.311 1.00 44.40 H new ATOM 0 HD2 LYS A 74 -10.191 4.036 10.420 1.00 20.20 H new ATOM 0 HD3 LYS A 74 -11.362 3.360 11.535 1.00 20.20 H new ATOM 0 HE2 LYS A 74 -9.926 6.033 11.855 1.00 1.11 H new ATOM 0 HE3 LYS A 74 -11.598 5.815 11.377 1.00 1.11 H new ATOM 0 HZ1 LYS A 74 -11.532 6.339 13.681 1.00 62.05 H new ATOM 0 HZ2 LYS A 74 -11.977 4.706 13.553 1.00 62.05 H new ATOM 0 HZ3 LYS A 74 -10.394 5.121 14.006 1.00 62.05 H new ATOM 1167 N LYS A 75 -7.621 1.770 14.480 1.00 52.23 N ATOM 1168 CA LYS A 75 -7.933 1.381 15.872 1.00 73.43 C ATOM 1169 C LYS A 75 -6.709 0.752 16.594 1.00 3.53 C ATOM 1170 O LYS A 75 -6.558 0.920 17.808 1.00 13.32 O ATOM 1171 CB LYS A 75 -9.148 0.406 15.915 1.00 54.21 C ATOM 1172 CG LYS A 75 -8.887 -0.985 15.297 1.00 72.30 C ATOM 1173 CD LYS A 75 -10.020 -2.005 15.557 1.00 21.22 C ATOM 1174 CE LYS A 75 -10.215 -2.301 17.054 1.00 72.21 C ATOM 1175 NZ LYS A 75 -11.161 -3.438 17.281 1.00 1.01 N ATOM 0 H LYS A 75 -7.983 1.130 13.773 1.00 52.23 H new ATOM 0 HA LYS A 75 -8.194 2.294 16.407 1.00 73.43 H new ATOM 0 HB2 LYS A 75 -9.454 0.275 16.953 1.00 54.21 H new ATOM 0 HB3 LYS A 75 -9.985 0.869 15.392 1.00 54.21 H new ATOM 0 HG2 LYS A 75 -8.750 -0.875 14.221 1.00 72.30 H new ATOM 0 HG3 LYS A 75 -7.954 -1.382 15.698 1.00 72.30 H new ATOM 0 HD2 LYS A 75 -10.952 -1.622 15.141 1.00 21.22 H new ATOM 0 HD3 LYS A 75 -9.796 -2.934 15.033 1.00 21.22 H new ATOM 0 HE2 LYS A 75 -9.251 -2.535 17.506 1.00 72.21 H new ATOM 0 HE3 LYS A 75 -10.593 -1.409 17.554 1.00 72.21 H new ATOM 0 HZ1 LYS A 75 -11.265 -3.605 18.302 1.00 1.01 H new ATOM 0 HZ2 LYS A 75 -12.089 -3.205 16.872 1.00 1.01 H new ATOM 0 HZ3 LYS A 75 -10.788 -4.296 16.826 1.00 1.01 H new ATOM 1189 N GLU A 76 -5.837 0.049 15.837 1.00 73.14 N ATOM 1190 CA GLU A 76 -4.679 -0.695 16.409 1.00 22.54 C ATOM 1191 C GLU A 76 -3.451 0.204 16.642 1.00 12.32 C ATOM 1192 O GLU A 76 -2.416 -0.289 17.101 1.00 12.34 O ATOM 1193 CB GLU A 76 -4.280 -1.894 15.496 1.00 22.25 C ATOM 1194 CG GLU A 76 -5.359 -2.991 15.340 1.00 0.31 C ATOM 1195 CD GLU A 76 -5.837 -3.579 16.677 1.00 0.01 C ATOM 1196 OE1 GLU A 76 -5.120 -4.423 17.257 1.00 65.00 O ATOM 1197 OE2 GLU A 76 -6.927 -3.207 17.154 1.00 3.12 O ATOM 0 H GLU A 76 -5.909 -0.022 14.822 1.00 73.14 H new ATOM 0 HA GLU A 76 -5.007 -1.067 17.379 1.00 22.54 H new ATOM 0 HB2 GLU A 76 -4.030 -1.509 14.507 1.00 22.25 H new ATOM 0 HB3 GLU A 76 -3.376 -2.351 15.898 1.00 22.25 H new ATOM 0 HG2 GLU A 76 -6.215 -2.574 14.809 1.00 0.31 H new ATOM 0 HG3 GLU A 76 -4.961 -3.795 14.721 1.00 0.31 H new ATOM 1204 N GLY A 77 -3.563 1.506 16.325 1.00 23.43 N ATOM 1205 CA GLY A 77 -2.458 2.450 16.528 1.00 3.21 C ATOM 1206 C GLY A 77 -1.401 2.379 15.436 1.00 21.35 C ATOM 1207 O GLY A 77 -0.199 2.494 15.702 1.00 62.21 O ATOM 0 H GLY A 77 -4.405 1.924 15.929 1.00 23.43 H new ATOM 0 HA2 GLY A 77 -2.858 3.463 16.573 1.00 3.21 H new ATOM 0 HA3 GLY A 77 -1.990 2.249 17.492 1.00 3.21 H new ATOM 1211 N VAL A 78 -1.866 2.170 14.203 1.00 34.52 N ATOM 1212 CA VAL A 78 -1.028 2.183 12.997 1.00 62.11 C ATOM 1213 C VAL A 78 -1.423 3.401 12.139 1.00 22.41 C ATOM 1214 O VAL A 78 -2.616 3.637 11.904 1.00 50.24 O ATOM 1215 CB VAL A 78 -1.212 0.854 12.166 1.00 42.31 C ATOM 1216 CG1 VAL A 78 -0.317 0.831 10.903 1.00 64.11 C ATOM 1217 CG2 VAL A 78 -0.972 -0.398 13.050 1.00 65.14 C ATOM 0 H VAL A 78 -2.850 1.984 14.009 1.00 34.52 H new ATOM 0 HA VAL A 78 0.020 2.250 13.288 1.00 62.11 H new ATOM 0 HB VAL A 78 -2.247 0.829 11.824 1.00 42.31 H new ATOM 0 HG11 VAL A 78 -0.476 -0.101 10.361 1.00 64.11 H new ATOM 0 HG12 VAL A 78 -0.574 1.673 10.260 1.00 64.11 H new ATOM 0 HG13 VAL A 78 0.730 0.906 11.197 1.00 64.11 H new ATOM 0 HG21 VAL A 78 -1.106 -1.298 12.450 1.00 65.14 H new ATOM 0 HG22 VAL A 78 0.043 -0.374 13.447 1.00 65.14 H new ATOM 0 HG23 VAL A 78 -1.684 -0.403 13.875 1.00 65.14 H new ATOM 1227 N SER A 79 -0.421 4.191 11.718 1.00 22.44 N ATOM 1228 CA SER A 79 -0.631 5.330 10.813 1.00 75.23 C ATOM 1229 C SER A 79 -0.674 4.848 9.343 1.00 64.15 C ATOM 1230 O SER A 79 -0.038 3.846 8.995 1.00 43.32 O ATOM 1231 CB SER A 79 0.485 6.374 11.024 1.00 71.30 C ATOM 1232 OG SER A 79 0.511 6.837 12.372 1.00 42.20 O ATOM 0 H SER A 79 0.552 4.058 11.995 1.00 22.44 H new ATOM 0 HA SER A 79 -1.589 5.798 11.039 1.00 75.23 H new ATOM 0 HB2 SER A 79 1.450 5.935 10.769 1.00 71.30 H new ATOM 0 HB3 SER A 79 0.330 7.217 10.350 1.00 71.30 H new ATOM 0 HG SER A 79 1.229 7.496 12.478 1.00 42.20 H new ATOM 1238 N TYR A 80 -1.434 5.571 8.495 1.00 13.43 N ATOM 1239 CA TYR A 80 -1.629 5.218 7.074 1.00 21.33 C ATOM 1240 C TYR A 80 -2.119 6.443 6.278 1.00 11.41 C ATOM 1241 O TYR A 80 -2.761 7.345 6.833 1.00 31.02 O ATOM 1242 CB TYR A 80 -2.640 4.035 6.931 1.00 31.13 C ATOM 1243 CG TYR A 80 -4.069 4.343 7.435 1.00 75.24 C ATOM 1244 CD1 TYR A 80 -4.385 4.308 8.801 1.00 55.14 C ATOM 1245 CD2 TYR A 80 -5.101 4.676 6.546 1.00 4.54 C ATOM 1246 CE1 TYR A 80 -5.663 4.588 9.250 1.00 50.35 C ATOM 1247 CE2 TYR A 80 -6.379 4.957 7.000 1.00 21.40 C ATOM 1248 CZ TYR A 80 -6.653 4.912 8.348 1.00 23.30 C ATOM 1249 OH TYR A 80 -7.927 5.194 8.798 1.00 3.25 O ATOM 0 H TYR A 80 -1.930 6.417 8.777 1.00 13.43 H new ATOM 0 HA TYR A 80 -0.670 4.899 6.666 1.00 21.33 H new ATOM 0 HB2 TYR A 80 -2.694 3.746 5.881 1.00 31.13 H new ATOM 0 HB3 TYR A 80 -2.253 3.176 7.479 1.00 31.13 H new ATOM 0 HD1 TYR A 80 -3.616 4.058 9.516 1.00 55.14 H new ATOM 0 HD2 TYR A 80 -4.895 4.714 5.486 1.00 4.54 H new ATOM 0 HE1 TYR A 80 -5.885 4.553 10.306 1.00 50.35 H new ATOM 0 HE2 TYR A 80 -7.159 5.211 6.298 1.00 21.40 H new ATOM 0 HH TYR A 80 -8.505 5.404 8.035 1.00 3.25 H new ATOM 1259 N ASP A 81 -1.792 6.467 4.977 1.00 0.13 N ATOM 1260 CA ASP A 81 -2.276 7.480 4.014 1.00 22.54 C ATOM 1261 C ASP A 81 -3.020 6.773 2.875 1.00 51.42 C ATOM 1262 O ASP A 81 -2.462 5.885 2.232 1.00 43.43 O ATOM 1263 CB ASP A 81 -1.081 8.292 3.447 1.00 3.31 C ATOM 1264 CG ASP A 81 -0.349 9.123 4.519 1.00 32.21 C ATOM 1265 OD1 ASP A 81 0.572 8.591 5.170 1.00 34.15 O ATOM 1266 OD2 ASP A 81 -0.698 10.310 4.725 1.00 71.30 O ATOM 0 H ASP A 81 -1.175 5.774 4.553 1.00 0.13 H new ATOM 0 HA ASP A 81 -2.953 8.169 4.520 1.00 22.54 H new ATOM 0 HB2 ASP A 81 -0.373 7.607 2.981 1.00 3.31 H new ATOM 0 HB3 ASP A 81 -1.442 8.958 2.664 1.00 3.31 H new ATOM 1271 N VAL A 82 -4.280 7.167 2.636 1.00 0.11 N ATOM 1272 CA VAL A 82 -5.125 6.581 1.582 1.00 51.01 C ATOM 1273 C VAL A 82 -4.897 7.327 0.254 1.00 2.21 C ATOM 1274 O VAL A 82 -5.229 8.511 0.124 1.00 2.52 O ATOM 1275 CB VAL A 82 -6.654 6.609 1.986 1.00 33.30 C ATOM 1276 CG1 VAL A 82 -7.541 5.965 0.890 1.00 73.11 C ATOM 1277 CG2 VAL A 82 -6.867 5.920 3.357 1.00 25.31 C ATOM 0 H VAL A 82 -4.744 7.903 3.169 1.00 0.11 H new ATOM 0 HA VAL A 82 -4.841 5.536 1.456 1.00 51.01 H new ATOM 0 HB VAL A 82 -6.959 7.651 2.078 1.00 33.30 H new ATOM 0 HG11 VAL A 82 -8.585 6.001 1.200 1.00 73.11 H new ATOM 0 HG12 VAL A 82 -7.421 6.513 -0.044 1.00 73.11 H new ATOM 0 HG13 VAL A 82 -7.242 4.927 0.743 1.00 73.11 H new ATOM 0 HG21 VAL A 82 -7.925 5.949 3.618 1.00 25.31 H new ATOM 0 HG22 VAL A 82 -6.536 4.883 3.298 1.00 25.31 H new ATOM 0 HG23 VAL A 82 -6.290 6.442 4.120 1.00 25.31 H new ATOM 1287 N LEU A 83 -4.291 6.617 -0.703 1.00 75.44 N ATOM 1288 CA LEU A 83 -3.934 7.134 -2.032 1.00 33.24 C ATOM 1289 C LEU A 83 -4.785 6.418 -3.098 1.00 73.12 C ATOM 1290 O LEU A 83 -4.767 5.196 -3.170 1.00 72.44 O ATOM 1291 CB LEU A 83 -2.418 6.878 -2.286 1.00 50.11 C ATOM 1292 CG LEU A 83 -1.850 7.341 -3.671 1.00 73.21 C ATOM 1293 CD1 LEU A 83 -1.811 8.878 -3.796 1.00 32.13 C ATOM 1294 CD2 LEU A 83 -0.465 6.718 -3.936 1.00 40.30 C ATOM 0 H LEU A 83 -4.027 5.640 -0.573 1.00 75.44 H new ATOM 0 HA LEU A 83 -4.128 8.205 -2.086 1.00 33.24 H new ATOM 0 HB2 LEU A 83 -1.852 7.379 -1.501 1.00 50.11 H new ATOM 0 HB3 LEU A 83 -2.231 5.809 -2.181 1.00 50.11 H new ATOM 0 HG LEU A 83 -2.533 6.980 -4.439 1.00 73.21 H new ATOM 0 HD11 LEU A 83 -1.410 9.154 -4.772 1.00 32.13 H new ATOM 0 HD12 LEU A 83 -2.820 9.277 -3.692 1.00 32.13 H new ATOM 0 HD13 LEU A 83 -1.175 9.291 -3.013 1.00 32.13 H new ATOM 0 HD21 LEU A 83 -0.093 7.055 -4.904 1.00 40.30 H new ATOM 0 HD22 LEU A 83 0.228 7.026 -3.153 1.00 40.30 H new ATOM 0 HD23 LEU A 83 -0.549 5.631 -3.939 1.00 40.30 H new ATOM 1306 N LYS A 84 -5.554 7.181 -3.899 1.00 31.01 N ATOM 1307 CA LYS A 84 -6.341 6.632 -5.024 1.00 15.44 C ATOM 1308 C LYS A 84 -5.955 7.366 -6.318 1.00 71.25 C ATOM 1309 O LYS A 84 -6.355 8.515 -6.538 1.00 32.12 O ATOM 1310 CB LYS A 84 -7.873 6.751 -4.764 1.00 73.25 C ATOM 1311 CG LYS A 84 -8.378 6.027 -3.491 1.00 33.01 C ATOM 1312 CD LYS A 84 -9.918 5.816 -3.451 1.00 35.14 C ATOM 1313 CE LYS A 84 -10.741 7.098 -3.195 1.00 71.30 C ATOM 1314 NZ LYS A 84 -10.689 8.081 -4.317 1.00 22.40 N ATOM 0 H LYS A 84 -5.648 8.190 -3.787 1.00 31.01 H new ATOM 0 HA LYS A 84 -6.112 5.571 -5.122 1.00 15.44 H new ATOM 0 HB2 LYS A 84 -8.133 7.807 -4.691 1.00 73.25 H new ATOM 0 HB3 LYS A 84 -8.405 6.351 -5.627 1.00 73.25 H new ATOM 0 HG2 LYS A 84 -7.887 5.057 -3.419 1.00 33.01 H new ATOM 0 HG3 LYS A 84 -8.078 6.602 -2.615 1.00 33.01 H new ATOM 0 HD2 LYS A 84 -10.236 5.380 -4.398 1.00 35.14 H new ATOM 0 HD3 LYS A 84 -10.151 5.090 -2.672 1.00 35.14 H new ATOM 0 HE2 LYS A 84 -11.780 6.822 -3.014 1.00 71.30 H new ATOM 0 HE3 LYS A 84 -10.376 7.578 -2.287 1.00 71.30 H new ATOM 0 HZ1 LYS A 84 -11.622 8.526 -4.433 1.00 22.40 H new ATOM 0 HZ2 LYS A 84 -9.981 8.812 -4.105 1.00 22.40 H new ATOM 0 HZ3 LYS A 84 -10.428 7.591 -5.196 1.00 22.40 H new ATOM 1328 N SER A 85 -5.152 6.693 -7.153 1.00 23.32 N ATOM 1329 CA SER A 85 -4.666 7.238 -8.431 1.00 33.33 C ATOM 1330 C SER A 85 -4.429 6.103 -9.431 1.00 15.35 C ATOM 1331 O SER A 85 -4.030 4.995 -9.054 1.00 3.53 O ATOM 1332 CB SER A 85 -3.379 8.071 -8.216 1.00 54.04 C ATOM 1333 OG SER A 85 -2.815 8.501 -9.446 1.00 71.51 O ATOM 0 H SER A 85 -4.818 5.749 -6.961 1.00 23.32 H new ATOM 0 HA SER A 85 -5.426 7.903 -8.841 1.00 33.33 H new ATOM 0 HB2 SER A 85 -3.608 8.939 -7.598 1.00 54.04 H new ATOM 0 HB3 SER A 85 -2.648 7.475 -7.670 1.00 54.04 H new ATOM 0 HG SER A 85 -2.317 9.333 -9.304 1.00 71.51 H new ATOM 1339 N THR A 86 -4.714 6.382 -10.709 1.00 1.32 N ATOM 1340 CA THR A 86 -4.472 5.457 -11.822 1.00 44.15 C ATOM 1341 C THR A 86 -3.474 6.118 -12.797 1.00 70.54 C ATOM 1342 O THR A 86 -3.871 6.822 -13.730 1.00 32.21 O ATOM 1343 CB THR A 86 -5.817 5.091 -12.544 1.00 54.14 C ATOM 1344 OG1 THR A 86 -6.487 6.283 -12.990 1.00 14.10 O ATOM 1345 CG2 THR A 86 -6.780 4.302 -11.631 1.00 4.52 C ATOM 0 H THR A 86 -5.125 7.268 -11.002 1.00 1.32 H new ATOM 0 HA THR A 86 -4.048 4.526 -11.446 1.00 44.15 H new ATOM 0 HB THR A 86 -5.551 4.461 -13.392 1.00 54.14 H new ATOM 0 HG1 THR A 86 -5.836 6.891 -13.399 1.00 14.10 H new ATOM 0 HG21 THR A 86 -7.695 4.074 -12.178 1.00 4.52 H new ATOM 0 HG22 THR A 86 -6.304 3.373 -11.316 1.00 4.52 H new ATOM 0 HG23 THR A 86 -7.022 4.901 -10.753 1.00 4.52 H new ATOM 1353 N ASP A 87 -2.167 5.920 -12.542 1.00 73.13 N ATOM 1354 CA ASP A 87 -1.095 6.588 -13.302 1.00 53.12 C ATOM 1355 C ASP A 87 0.239 5.855 -13.044 1.00 72.11 C ATOM 1356 O ASP A 87 0.630 5.719 -11.880 1.00 44.21 O ATOM 1357 CB ASP A 87 -0.983 8.082 -12.873 1.00 33.14 C ATOM 1358 CG ASP A 87 -0.119 8.928 -13.829 1.00 32.11 C ATOM 1359 OD1 ASP A 87 1.118 8.768 -13.834 1.00 2.23 O ATOM 1360 OD2 ASP A 87 -0.679 9.765 -14.575 1.00 5.30 O ATOM 0 H ASP A 87 -1.827 5.297 -11.809 1.00 73.13 H new ATOM 0 HA ASP A 87 -1.327 6.554 -14.366 1.00 53.12 H new ATOM 0 HB2 ASP A 87 -1.983 8.513 -12.820 1.00 33.14 H new ATOM 0 HB3 ASP A 87 -0.560 8.134 -11.870 1.00 33.14 H new ATOM 1365 N PRO A 88 0.978 5.404 -14.112 1.00 15.50 N ATOM 1366 CA PRO A 88 2.186 4.570 -13.937 1.00 62.11 C ATOM 1367 C PRO A 88 3.324 5.325 -13.220 1.00 20.54 C ATOM 1368 O PRO A 88 3.915 4.815 -12.266 1.00 32.04 O ATOM 1369 CB PRO A 88 2.604 4.165 -15.381 1.00 53.04 C ATOM 1370 CG PRO A 88 1.508 4.647 -16.295 1.00 60.22 C ATOM 1371 CD PRO A 88 0.728 5.709 -15.546 1.00 53.22 C ATOM 0 HA PRO A 88 1.980 3.706 -13.305 1.00 62.11 H new ATOM 0 HB2 PRO A 88 3.559 4.616 -15.649 1.00 53.04 H new ATOM 0 HB3 PRO A 88 2.728 3.085 -15.460 1.00 53.04 H new ATOM 0 HG2 PRO A 88 1.927 5.055 -17.215 1.00 60.22 H new ATOM 0 HG3 PRO A 88 0.856 3.822 -16.581 1.00 60.22 H new ATOM 0 HD2 PRO A 88 1.070 6.711 -15.805 1.00 53.22 H new ATOM 0 HD3 PRO A 88 -0.335 5.664 -15.783 1.00 53.22 H new ATOM 1379 N GLU A 89 3.580 6.568 -13.660 1.00 51.24 N ATOM 1380 CA GLU A 89 4.758 7.335 -13.211 1.00 70.42 C ATOM 1381 C GLU A 89 4.476 8.055 -11.882 1.00 61.21 C ATOM 1382 O GLU A 89 5.391 8.234 -11.066 1.00 4.13 O ATOM 1383 CB GLU A 89 5.220 8.339 -14.302 1.00 75.23 C ATOM 1384 CG GLU A 89 4.179 9.402 -14.702 1.00 61.52 C ATOM 1385 CD GLU A 89 4.684 10.375 -15.779 1.00 11.33 C ATOM 1386 OE1 GLU A 89 4.756 9.976 -16.963 1.00 21.41 O ATOM 1387 OE2 GLU A 89 5.031 11.531 -15.444 1.00 11.02 O ATOM 0 H GLU A 89 2.988 7.065 -14.326 1.00 51.24 H new ATOM 0 HA GLU A 89 5.571 6.628 -13.042 1.00 70.42 H new ATOM 0 HB2 GLU A 89 6.117 8.848 -13.948 1.00 75.23 H new ATOM 0 HB3 GLU A 89 5.503 7.778 -15.193 1.00 75.23 H new ATOM 0 HG2 GLU A 89 3.282 8.902 -15.066 1.00 61.52 H new ATOM 0 HG3 GLU A 89 3.891 9.969 -13.817 1.00 61.52 H new ATOM 1394 N GLU A 90 3.205 8.449 -11.663 1.00 24.32 N ATOM 1395 CA GLU A 90 2.801 9.168 -10.447 1.00 4.34 C ATOM 1396 C GLU A 90 2.756 8.213 -9.249 1.00 43.42 C ATOM 1397 O GLU A 90 3.253 8.550 -8.180 1.00 4.00 O ATOM 1398 CB GLU A 90 1.442 9.884 -10.626 1.00 21.25 C ATOM 1399 CG GLU A 90 1.066 10.814 -9.456 1.00 62.12 C ATOM 1400 CD GLU A 90 -0.289 11.503 -9.638 1.00 55.30 C ATOM 1401 OE1 GLU A 90 -0.357 12.546 -10.325 1.00 50.44 O ATOM 1402 OE2 GLU A 90 -1.294 11.003 -9.095 1.00 63.51 O ATOM 0 H GLU A 90 2.442 8.278 -12.318 1.00 24.32 H new ATOM 0 HA GLU A 90 3.550 9.936 -10.256 1.00 4.34 H new ATOM 0 HB2 GLU A 90 1.468 10.467 -11.546 1.00 21.25 H new ATOM 0 HB3 GLU A 90 0.660 9.134 -10.746 1.00 21.25 H new ATOM 0 HG2 GLU A 90 1.050 10.235 -8.532 1.00 62.12 H new ATOM 0 HG3 GLU A 90 1.839 11.574 -9.343 1.00 62.12 H new ATOM 1409 N LEU A 91 2.205 7.000 -9.450 1.00 63.01 N ATOM 1410 CA LEU A 91 2.154 5.991 -8.372 1.00 31.31 C ATOM 1411 C LEU A 91 3.579 5.549 -7.975 1.00 21.12 C ATOM 1412 O LEU A 91 3.855 5.359 -6.795 1.00 74.20 O ATOM 1413 CB LEU A 91 1.272 4.772 -8.756 1.00 42.11 C ATOM 1414 CG LEU A 91 -0.268 5.029 -8.846 1.00 52.11 C ATOM 1415 CD1 LEU A 91 -1.026 3.733 -9.214 1.00 11.43 C ATOM 1416 CD2 LEU A 91 -0.805 5.634 -7.533 1.00 54.54 C ATOM 0 H LEU A 91 1.795 6.697 -10.334 1.00 63.01 H new ATOM 0 HA LEU A 91 1.685 6.458 -7.506 1.00 31.31 H new ATOM 0 HB2 LEU A 91 1.612 4.394 -9.720 1.00 42.11 H new ATOM 0 HB3 LEU A 91 1.444 3.982 -8.025 1.00 42.11 H new ATOM 0 HG LEU A 91 -0.441 5.753 -9.642 1.00 52.11 H new ATOM 0 HD11 LEU A 91 -2.095 3.940 -9.270 1.00 11.43 H new ATOM 0 HD12 LEU A 91 -0.676 3.369 -10.180 1.00 11.43 H new ATOM 0 HD13 LEU A 91 -0.843 2.975 -8.452 1.00 11.43 H new ATOM 0 HD21 LEU A 91 -1.878 5.803 -7.622 1.00 54.54 H new ATOM 0 HD22 LEU A 91 -0.613 4.946 -6.710 1.00 54.54 H new ATOM 0 HD23 LEU A 91 -0.304 6.582 -7.337 1.00 54.54 H new ATOM 1428 N THR A 92 4.489 5.445 -8.976 1.00 51.14 N ATOM 1429 CA THR A 92 5.903 5.074 -8.748 1.00 23.14 C ATOM 1430 C THR A 92 6.627 6.128 -7.884 1.00 44.31 C ATOM 1431 O THR A 92 7.337 5.777 -6.924 1.00 41.24 O ATOM 1432 CB THR A 92 6.655 4.876 -10.109 1.00 21.52 C ATOM 1433 OG1 THR A 92 6.026 3.831 -10.873 1.00 3.14 O ATOM 1434 CG2 THR A 92 8.146 4.525 -9.923 1.00 13.23 C ATOM 0 H THR A 92 4.263 5.615 -9.956 1.00 51.14 H new ATOM 0 HA THR A 92 5.911 4.128 -8.206 1.00 23.14 H new ATOM 0 HB THR A 92 6.598 5.828 -10.636 1.00 21.52 H new ATOM 0 HG1 THR A 92 5.285 4.207 -11.393 1.00 3.14 H new ATOM 0 HG21 THR A 92 8.615 4.400 -10.899 1.00 13.23 H new ATOM 0 HG22 THR A 92 8.644 5.329 -9.382 1.00 13.23 H new ATOM 0 HG23 THR A 92 8.234 3.598 -9.357 1.00 13.23 H new ATOM 1442 N GLN A 93 6.415 7.421 -8.212 1.00 25.10 N ATOM 1443 CA GLN A 93 7.061 8.517 -7.479 1.00 71.32 C ATOM 1444 C GLN A 93 6.459 8.668 -6.072 1.00 2.25 C ATOM 1445 O GLN A 93 7.173 9.062 -5.163 1.00 2.20 O ATOM 1446 CB GLN A 93 7.034 9.858 -8.265 1.00 22.55 C ATOM 1447 CG GLN A 93 5.643 10.463 -8.491 1.00 15.12 C ATOM 1448 CD GLN A 93 5.636 11.664 -9.429 1.00 22.03 C ATOM 1449 OE1 GLN A 93 5.723 12.812 -8.998 1.00 62.14 O ATOM 1450 NE2 GLN A 93 5.572 11.410 -10.723 1.00 73.21 N ATOM 0 H GLN A 93 5.807 7.723 -8.973 1.00 25.10 H new ATOM 0 HA GLN A 93 8.112 8.252 -7.368 1.00 71.32 H new ATOM 0 HB2 GLN A 93 7.645 10.585 -7.730 1.00 22.55 H new ATOM 0 HB3 GLN A 93 7.504 9.700 -9.236 1.00 22.55 H new ATOM 0 HG2 GLN A 93 4.985 9.694 -8.896 1.00 15.12 H new ATOM 0 HG3 GLN A 93 5.228 10.763 -7.529 1.00 15.12 H new ATOM 0 HE21 GLN A 93 5.500 10.447 -11.051 1.00 73.21 H new ATOM 0 HE22 GLN A 93 5.594 12.177 -11.395 1.00 73.21 H new ATOM 1459 N ARG A 94 5.163 8.289 -5.895 1.00 2.24 N ATOM 1460 CA ARG A 94 4.491 8.319 -4.572 1.00 25.13 C ATOM 1461 C ARG A 94 5.128 7.296 -3.617 1.00 61.32 C ATOM 1462 O ARG A 94 5.391 7.608 -2.454 1.00 13.22 O ATOM 1463 CB ARG A 94 2.963 8.047 -4.698 1.00 24.13 C ATOM 1464 CG ARG A 94 2.149 9.172 -5.376 1.00 24.13 C ATOM 1465 CD ARG A 94 2.200 10.500 -4.606 1.00 62.32 C ATOM 1466 NE ARG A 94 1.444 11.555 -5.301 1.00 72.32 N ATOM 1467 CZ ARG A 94 1.952 12.701 -5.777 1.00 15.41 C ATOM 1468 NH1 ARG A 94 3.245 12.991 -5.667 1.00 35.23 N ATOM 1469 NH2 ARG A 94 1.146 13.567 -6.365 1.00 55.35 N ATOM 0 H ARG A 94 4.566 7.960 -6.654 1.00 2.24 H new ATOM 0 HA ARG A 94 4.624 9.321 -4.163 1.00 25.13 H new ATOM 0 HB2 ARG A 94 2.819 7.126 -5.262 1.00 24.13 H new ATOM 0 HB3 ARG A 94 2.557 7.877 -3.701 1.00 24.13 H new ATOM 0 HG2 ARG A 94 2.529 9.329 -6.386 1.00 24.13 H new ATOM 0 HG3 ARG A 94 1.111 8.854 -5.472 1.00 24.13 H new ATOM 0 HD2 ARG A 94 1.792 10.358 -3.605 1.00 62.32 H new ATOM 0 HD3 ARG A 94 3.237 10.813 -4.486 1.00 62.32 H new ATOM 0 HE ARG A 94 0.444 11.400 -5.432 1.00 72.32 H new ATOM 0 HH11 ARG A 94 3.878 12.334 -5.211 1.00 35.23 H new ATOM 0 HH12 ARG A 94 3.604 13.871 -6.039 1.00 35.23 H new ATOM 0 HH21 ARG A 94 0.151 13.360 -6.452 1.00 55.35 H new ATOM 0 HH22 ARG A 94 1.519 14.443 -6.732 1.00 55.35 H new ATOM 1483 N VAL A 95 5.366 6.075 -4.136 1.00 63.41 N ATOM 1484 CA VAL A 95 6.011 4.984 -3.384 1.00 31.44 C ATOM 1485 C VAL A 95 7.413 5.418 -2.916 1.00 42.00 C ATOM 1486 O VAL A 95 7.711 5.413 -1.711 1.00 72.35 O ATOM 1487 CB VAL A 95 6.116 3.681 -4.270 1.00 63.13 C ATOM 1488 CG1 VAL A 95 6.904 2.550 -3.565 1.00 22.14 C ATOM 1489 CG2 VAL A 95 4.717 3.188 -4.704 1.00 13.21 C ATOM 0 H VAL A 95 5.115 5.819 -5.091 1.00 63.41 H new ATOM 0 HA VAL A 95 5.398 4.760 -2.511 1.00 31.44 H new ATOM 0 HB VAL A 95 6.678 3.953 -5.163 1.00 63.13 H new ATOM 0 HG11 VAL A 95 6.947 1.677 -4.216 1.00 22.14 H new ATOM 0 HG12 VAL A 95 7.916 2.892 -3.349 1.00 22.14 H new ATOM 0 HG13 VAL A 95 6.404 2.284 -2.634 1.00 22.14 H new ATOM 0 HG21 VAL A 95 4.820 2.290 -5.313 1.00 13.21 H new ATOM 0 HG22 VAL A 95 4.121 2.961 -3.820 1.00 13.21 H new ATOM 0 HG23 VAL A 95 4.222 3.965 -5.286 1.00 13.21 H new ATOM 1499 N ARG A 96 8.236 5.867 -3.886 1.00 35.33 N ATOM 1500 CA ARG A 96 9.653 6.159 -3.642 1.00 62.11 C ATOM 1501 C ARG A 96 9.843 7.364 -2.684 1.00 51.14 C ATOM 1502 O ARG A 96 10.695 7.311 -1.788 1.00 21.02 O ATOM 1503 CB ARG A 96 10.436 6.355 -4.985 1.00 21.44 C ATOM 1504 CG ARG A 96 10.139 7.657 -5.752 1.00 24.31 C ATOM 1505 CD ARG A 96 10.882 7.761 -7.103 1.00 10.10 C ATOM 1506 NE ARG A 96 12.351 7.780 -6.961 1.00 53.04 N ATOM 1507 CZ ARG A 96 13.236 7.841 -7.981 1.00 1.22 C ATOM 1508 NH1 ARG A 96 12.831 7.887 -9.255 1.00 53.33 N ATOM 1509 NH2 ARG A 96 14.535 7.863 -7.716 1.00 60.43 N ATOM 0 H ARG A 96 7.937 6.034 -4.847 1.00 35.33 H new ATOM 0 HA ARG A 96 10.078 5.290 -3.140 1.00 62.11 H new ATOM 0 HB2 ARG A 96 11.504 6.319 -4.769 1.00 21.44 H new ATOM 0 HB3 ARG A 96 10.214 5.512 -5.639 1.00 21.44 H new ATOM 0 HG2 ARG A 96 9.066 7.727 -5.930 1.00 24.31 H new ATOM 0 HG3 ARG A 96 10.415 8.507 -5.128 1.00 24.31 H new ATOM 0 HD2 ARG A 96 10.596 6.919 -7.733 1.00 10.10 H new ATOM 0 HD3 ARG A 96 10.562 8.667 -7.617 1.00 10.10 H new ATOM 0 HE ARG A 96 12.730 7.744 -6.015 1.00 53.04 H new ATOM 0 HH11 ARG A 96 11.835 7.876 -9.474 1.00 53.33 H new ATOM 0 HH12 ARG A 96 13.518 7.933 -10.007 1.00 53.33 H new ATOM 0 HH21 ARG A 96 14.859 7.834 -6.749 1.00 60.43 H new ATOM 0 HH22 ARG A 96 15.210 7.909 -8.479 1.00 60.43 H new ATOM 1523 N GLU A 97 9.020 8.429 -2.859 1.00 43.21 N ATOM 1524 CA GLU A 97 9.123 9.659 -2.040 1.00 23.32 C ATOM 1525 C GLU A 97 8.659 9.394 -0.596 1.00 35.34 C ATOM 1526 O GLU A 97 9.261 9.916 0.355 1.00 4.44 O ATOM 1527 CB GLU A 97 8.326 10.841 -2.674 1.00 70.15 C ATOM 1528 CG GLU A 97 6.780 10.723 -2.618 1.00 13.15 C ATOM 1529 CD GLU A 97 6.051 11.861 -3.355 1.00 4.04 C ATOM 1530 OE1 GLU A 97 5.989 12.985 -2.812 1.00 52.35 O ATOM 1531 OE2 GLU A 97 5.557 11.651 -4.486 1.00 33.10 O ATOM 0 H GLU A 97 8.279 8.458 -3.560 1.00 43.21 H new ATOM 0 HA GLU A 97 10.173 9.951 -2.015 1.00 23.32 H new ATOM 0 HB2 GLU A 97 8.619 11.763 -2.171 1.00 70.15 H new ATOM 0 HB3 GLU A 97 8.626 10.938 -3.717 1.00 70.15 H new ATOM 0 HG2 GLU A 97 6.480 9.769 -3.052 1.00 13.15 H new ATOM 0 HG3 GLU A 97 6.462 10.713 -1.576 1.00 13.15 H new ATOM 1538 N PHE A 98 7.600 8.555 -0.445 1.00 3.12 N ATOM 1539 CA PHE A 98 7.059 8.152 0.866 1.00 31.51 C ATOM 1540 C PHE A 98 8.127 7.438 1.696 1.00 11.31 C ATOM 1541 O PHE A 98 8.318 7.750 2.864 1.00 71.35 O ATOM 1542 CB PHE A 98 5.822 7.233 0.674 1.00 43.14 C ATOM 1543 CG PHE A 98 5.190 6.729 1.976 1.00 12.54 C ATOM 1544 CD1 PHE A 98 4.297 7.531 2.695 1.00 63.01 C ATOM 1545 CD2 PHE A 98 5.495 5.461 2.488 1.00 73.23 C ATOM 1546 CE1 PHE A 98 3.745 7.083 3.880 1.00 74.25 C ATOM 1547 CE2 PHE A 98 4.938 5.021 3.672 1.00 14.32 C ATOM 1548 CZ PHE A 98 4.064 5.828 4.363 1.00 21.55 C ATOM 0 H PHE A 98 7.102 8.143 -1.234 1.00 3.12 H new ATOM 0 HA PHE A 98 6.752 9.049 1.403 1.00 31.51 H new ATOM 0 HB2 PHE A 98 5.067 7.777 0.106 1.00 43.14 H new ATOM 0 HB3 PHE A 98 6.115 6.373 0.072 1.00 43.14 H new ATOM 0 HD1 PHE A 98 4.037 8.510 2.320 1.00 63.01 H new ATOM 0 HD2 PHE A 98 6.175 4.819 1.949 1.00 73.23 H new ATOM 0 HE1 PHE A 98 3.063 7.715 4.430 1.00 74.25 H new ATOM 0 HE2 PHE A 98 5.188 4.043 4.056 1.00 14.32 H new ATOM 0 HZ PHE A 98 3.625 5.479 5.286 1.00 21.55 H new ATOM 1558 N LEU A 99 8.832 6.493 1.063 1.00 15.42 N ATOM 1559 CA LEU A 99 9.867 5.690 1.735 1.00 33.43 C ATOM 1560 C LEU A 99 11.101 6.542 2.120 1.00 61.15 C ATOM 1561 O LEU A 99 11.868 6.164 3.007 1.00 61.25 O ATOM 1562 CB LEU A 99 10.254 4.490 0.829 1.00 33.02 C ATOM 1563 CG LEU A 99 9.073 3.514 0.490 1.00 74.14 C ATOM 1564 CD1 LEU A 99 9.494 2.433 -0.525 1.00 34.11 C ATOM 1565 CD2 LEU A 99 8.479 2.886 1.770 1.00 65.42 C ATOM 0 H LEU A 99 8.705 6.262 0.078 1.00 15.42 H new ATOM 0 HA LEU A 99 9.461 5.308 2.671 1.00 33.43 H new ATOM 0 HB2 LEU A 99 10.668 4.875 -0.103 1.00 33.02 H new ATOM 0 HB3 LEU A 99 11.046 3.923 1.319 1.00 33.02 H new ATOM 0 HG LEU A 99 8.290 4.107 0.018 1.00 74.14 H new ATOM 0 HD11 LEU A 99 8.647 1.779 -0.732 1.00 34.11 H new ATOM 0 HD12 LEU A 99 9.819 2.909 -1.450 1.00 34.11 H new ATOM 0 HD13 LEU A 99 10.314 1.846 -0.112 1.00 34.11 H new ATOM 0 HD21 LEU A 99 7.663 2.215 1.501 1.00 65.42 H new ATOM 0 HD22 LEU A 99 9.253 2.325 2.293 1.00 65.42 H new ATOM 0 HD23 LEU A 99 8.101 3.675 2.420 1.00 65.42 H new ATOM 1577 N LYS A 100 11.268 7.699 1.448 1.00 63.12 N ATOM 1578 CA LYS A 100 12.382 8.642 1.705 1.00 21.25 C ATOM 1579 C LYS A 100 12.037 9.673 2.805 1.00 41.20 C ATOM 1580 O LYS A 100 12.945 10.146 3.502 1.00 42.13 O ATOM 1581 CB LYS A 100 12.838 9.344 0.377 1.00 3.22 C ATOM 1582 CG LYS A 100 14.049 8.674 -0.329 1.00 72.24 C ATOM 1583 CD LYS A 100 13.841 7.172 -0.626 1.00 23.03 C ATOM 1584 CE LYS A 100 15.057 6.537 -1.323 1.00 44.11 C ATOM 1585 NZ LYS A 100 15.365 7.184 -2.631 1.00 54.21 N ATOM 0 H LYS A 100 10.635 8.009 0.711 1.00 63.12 H new ATOM 0 HA LYS A 100 13.221 8.057 2.083 1.00 21.25 H new ATOM 0 HB2 LYS A 100 11.996 9.363 -0.315 1.00 3.22 H new ATOM 0 HB3 LYS A 100 13.092 10.381 0.599 1.00 3.22 H new ATOM 0 HG2 LYS A 100 14.247 9.196 -1.265 1.00 72.24 H new ATOM 0 HG3 LYS A 100 14.934 8.793 0.296 1.00 72.24 H new ATOM 0 HD2 LYS A 100 13.644 6.644 0.307 1.00 23.03 H new ATOM 0 HD3 LYS A 100 12.959 7.048 -1.255 1.00 23.03 H new ATOM 0 HE2 LYS A 100 15.927 6.612 -0.670 1.00 44.11 H new ATOM 0 HE3 LYS A 100 14.868 5.475 -1.482 1.00 44.11 H new ATOM 0 HZ1 LYS A 100 16.089 6.629 -3.131 1.00 54.21 H new ATOM 0 HZ2 LYS A 100 14.502 7.226 -3.209 1.00 54.21 H new ATOM 0 HZ3 LYS A 100 15.719 8.148 -2.467 1.00 54.21 H new ATOM 1599 N THR A 101 10.747 10.032 2.970 1.00 55.35 N ATOM 1600 CA THR A 101 10.336 11.042 3.984 1.00 12.51 C ATOM 1601 C THR A 101 9.885 10.356 5.289 1.00 74.44 C ATOM 1602 O THR A 101 10.088 10.885 6.380 1.00 45.42 O ATOM 1603 CB THR A 101 9.208 11.997 3.449 1.00 52.33 C ATOM 1604 OG1 THR A 101 8.906 13.030 4.415 1.00 4.14 O ATOM 1605 CG2 THR A 101 7.912 11.245 3.088 1.00 43.13 C ATOM 0 H THR A 101 9.976 9.647 2.425 1.00 55.35 H new ATOM 0 HA THR A 101 11.211 11.657 4.193 1.00 12.51 H new ATOM 0 HB THR A 101 9.599 12.446 2.536 1.00 52.33 H new ATOM 0 HG1 THR A 101 8.203 13.614 4.061 1.00 4.14 H new ATOM 0 HG21 THR A 101 7.169 11.955 2.724 1.00 43.13 H new ATOM 0 HG22 THR A 101 8.122 10.510 2.311 1.00 43.13 H new ATOM 0 HG23 THR A 101 7.527 10.738 3.973 1.00 43.13 H new ATOM 1613 N ALA A 102 9.275 9.174 5.156 1.00 23.41 N ATOM 1614 CA ALA A 102 8.797 8.372 6.296 1.00 71.54 C ATOM 1615 C ALA A 102 9.865 7.359 6.754 1.00 62.44 C ATOM 1616 O ALA A 102 9.624 6.573 7.673 1.00 52.23 O ATOM 1617 CB ALA A 102 7.496 7.656 5.899 1.00 61.35 C ATOM 0 H ALA A 102 9.096 8.741 4.250 1.00 23.41 H new ATOM 0 HA ALA A 102 8.601 9.035 7.138 1.00 71.54 H new ATOM 0 HB1 ALA A 102 7.137 7.061 6.739 1.00 61.35 H new ATOM 0 HB2 ALA A 102 6.742 8.395 5.630 1.00 61.35 H new ATOM 0 HB3 ALA A 102 7.685 7.004 5.047 1.00 61.35 H new