USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 15 SER OG : rot 46:sc= 0.794 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 162:sc= -1.17 (180deg=-3.49!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.915 K(o=0.91,f=-1.9!) USER MOD Single : A 12 ASN : amide:sc= -0.101 K(o=-0.1,f=-3.1!) USER MOD Single : A 14 HIS : no HD1:sc=-0.00926 X(o=-0.0093,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 17 MET CE :methyl -178:sc= -0.167 (180deg=-0.185) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.024 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.864 K(o=0.86,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0262) USER MOD Single : A 42 GLN : amide:sc=-0.00272 K(o=-0.0027,f=-1) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.088 USER MOD Single : A 44 GLN : amide:sc= 0.491 K(o=0.49,f=-0.29) USER MOD Single : A 46 ASN : amide:sc= 0.611 K(o=0.61,f=-2.8!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.17 F(o=-1.8,f=-0.17) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 61 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.13) USER MOD Single : A 64 GLN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.71) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 63:sc= 1.06 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 81 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.299 9.733 -1.013 1.00 30.43 N ATOM 43 CA ASP A 4 9.197 8.296 -0.910 1.00 54.11 C ATOM 44 C ASP A 4 7.777 7.846 -0.575 1.00 43.31 C ATOM 45 O ASP A 4 7.305 7.771 0.564 1.00 50.44 O ATOM 46 CB ASP A 4 10.221 7.716 0.035 1.00 52.15 C ATOM 47 CG ASP A 4 11.620 8.336 -0.053 1.00 72.55 C ATOM 48 OD1 ASP A 4 12.475 7.760 -0.758 1.00 53.24 O ATOM 49 OD2 ASP A 4 11.874 9.442 0.479 1.00 63.11 O ATOM 0 HA ASP A 4 9.428 7.893 -1.896 1.00 54.11 H new ATOM 0 HB2 ASP A 4 9.855 7.830 1.055 1.00 52.15 H new ATOM 0 HB3 ASP A 4 10.303 6.646 -0.157 1.00 52.15 H new ATOM 54 N THR A 5 7.094 7.550 -1.661 1.00 63.21 N ATOM 55 CA THR A 5 5.782 6.926 -1.653 1.00 32.54 C ATOM 56 C THR A 5 5.887 5.551 -2.310 1.00 44.21 C ATOM 57 O THR A 5 6.330 5.442 -3.461 1.00 10.02 O ATOM 58 CB THR A 5 4.737 7.820 -2.339 1.00 44.21 C ATOM 59 OG1 THR A 5 4.770 9.133 -1.810 1.00 52.45 O ATOM 60 CG2 THR A 5 3.314 7.287 -2.136 1.00 52.11 C ATOM 0 H THR A 5 7.443 7.741 -2.600 1.00 63.21 H new ATOM 0 HA THR A 5 5.442 6.797 -0.625 1.00 32.54 H new ATOM 0 HB THR A 5 4.988 7.822 -3.400 1.00 44.21 H new ATOM 0 HG1 THR A 5 4.098 9.685 -2.262 1.00 52.45 H new ATOM 0 HG21 THR A 5 2.604 7.946 -2.636 1.00 52.11 H new ATOM 0 HG22 THR A 5 3.237 6.285 -2.557 1.00 52.11 H new ATOM 0 HG23 THR A 5 3.088 7.251 -1.070 1.00 52.11 H new ATOM 68 N ILE A 6 5.478 4.510 -1.584 1.00 25.54 N ATOM 69 CA ILE A 6 5.110 3.230 -2.174 1.00 13.30 C ATOM 70 C ILE A 6 3.600 3.319 -2.361 1.00 11.23 C ATOM 71 O ILE A 6 2.858 3.522 -1.393 1.00 21.10 O ATOM 72 CB ILE A 6 5.552 2.016 -1.323 1.00 61.33 C ATOM 73 CG1 ILE A 6 7.066 2.072 -1.049 1.00 65.25 C ATOM 74 CG2 ILE A 6 5.160 0.689 -2.001 1.00 62.25 C ATOM 75 CD1 ILE A 6 7.597 0.912 -0.203 1.00 2.30 C ATOM 0 H ILE A 6 5.394 4.535 -0.568 1.00 25.54 H new ATOM 0 HA ILE A 6 5.624 3.057 -3.120 1.00 13.30 H new ATOM 0 HB ILE A 6 5.030 2.063 -0.367 1.00 61.33 H new ATOM 0 HG12 ILE A 6 7.595 2.083 -2.002 1.00 65.25 H new ATOM 0 HG13 ILE A 6 7.297 3.010 -0.544 1.00 65.25 H new ATOM 0 HG21 ILE A 6 5.483 -0.146 -1.380 1.00 62.25 H new ATOM 0 HG22 ILE A 6 4.078 0.650 -2.126 1.00 62.25 H new ATOM 0 HG23 ILE A 6 5.641 0.623 -2.977 1.00 62.25 H new ATOM 0 HD11 ILE A 6 8.671 1.029 -0.058 1.00 2.30 H new ATOM 0 HD12 ILE A 6 7.098 0.910 0.766 1.00 2.30 H new ATOM 0 HD13 ILE A 6 7.401 -0.031 -0.714 1.00 2.30 H new ATOM 87 N ILE A 7 3.147 3.253 -3.609 1.00 0.03 N ATOM 88 CA ILE A 7 1.730 3.161 -3.919 1.00 71.35 C ATOM 89 C ILE A 7 1.407 1.674 -4.024 1.00 12.22 C ATOM 90 O ILE A 7 2.224 0.886 -4.494 1.00 52.21 O ATOM 91 CB ILE A 7 1.345 4.007 -5.163 1.00 15.22 C ATOM 92 CG1 ILE A 7 1.747 5.489 -5.008 1.00 44.11 C ATOM 93 CG2 ILE A 7 -0.175 3.961 -5.412 1.00 32.12 C ATOM 94 CD1 ILE A 7 3.151 5.843 -5.485 1.00 44.05 C ATOM 0 H ILE A 7 3.752 3.262 -4.430 1.00 0.03 H new ATOM 0 HA ILE A 7 1.114 3.600 -3.134 1.00 71.35 H new ATOM 0 HB ILE A 7 1.887 3.570 -6.002 1.00 15.22 H new ATOM 0 HG12 ILE A 7 1.031 6.101 -5.557 1.00 44.11 H new ATOM 0 HG13 ILE A 7 1.660 5.763 -3.957 1.00 44.11 H new ATOM 0 HG21 ILE A 7 -0.418 4.561 -6.289 1.00 32.12 H new ATOM 0 HG22 ILE A 7 -0.485 2.930 -5.581 1.00 32.12 H new ATOM 0 HG23 ILE A 7 -0.698 4.359 -4.543 1.00 32.12 H new ATOM 0 HD11 ILE A 7 3.330 6.907 -5.331 1.00 44.05 H new ATOM 0 HD12 ILE A 7 3.883 5.266 -4.920 1.00 44.05 H new ATOM 0 HD13 ILE A 7 3.245 5.609 -6.546 1.00 44.05 H new ATOM 106 N LEU A 8 0.214 1.295 -3.578 1.00 42.41 N ATOM 107 CA LEU A 8 -0.378 -0.007 -3.827 1.00 64.12 C ATOM 108 C LEU A 8 -1.541 0.209 -4.774 1.00 20.20 C ATOM 109 O LEU A 8 -2.216 1.238 -4.716 1.00 40.42 O ATOM 110 CB LEU A 8 -0.898 -0.646 -2.535 1.00 14.50 C ATOM 111 CG LEU A 8 0.113 -1.467 -1.730 1.00 52.13 C ATOM 112 CD1 LEU A 8 1.375 -0.694 -1.362 1.00 35.43 C ATOM 113 CD2 LEU A 8 -0.622 -1.947 -0.479 1.00 24.20 C ATOM 0 H LEU A 8 -0.381 1.905 -3.018 1.00 42.41 H new ATOM 0 HA LEU A 8 0.374 -0.676 -4.246 1.00 64.12 H new ATOM 0 HB2 LEU A 8 -1.284 0.146 -1.893 1.00 14.50 H new ATOM 0 HB3 LEU A 8 -1.740 -1.291 -2.787 1.00 14.50 H new ATOM 0 HG LEU A 8 0.470 -2.298 -2.339 1.00 52.13 H new ATOM 0 HD11 LEU A 8 2.044 -1.339 -0.793 1.00 35.43 H new ATOM 0 HD12 LEU A 8 1.877 -0.362 -2.271 1.00 35.43 H new ATOM 0 HD13 LEU A 8 1.107 0.173 -0.758 1.00 35.43 H new ATOM 0 HD21 LEU A 8 0.055 -2.541 0.135 1.00 24.20 H new ATOM 0 HD22 LEU A 8 -0.969 -1.086 0.092 1.00 24.20 H new ATOM 0 HD23 LEU A 8 -1.477 -2.557 -0.771 1.00 24.20 H new ATOM 125 N ARG A 9 -1.835 -0.802 -5.582 1.00 74.43 N ATOM 126 CA ARG A 9 -2.969 -0.828 -6.508 1.00 72.11 C ATOM 127 C ARG A 9 -3.707 -2.141 -6.288 1.00 73.42 C ATOM 128 O ARG A 9 -3.192 -3.020 -5.589 1.00 34.21 O ATOM 129 CB ARG A 9 -2.506 -0.647 -7.973 1.00 74.13 C ATOM 130 CG ARG A 9 -1.697 0.634 -8.246 1.00 55.54 C ATOM 131 CD ARG A 9 -0.895 0.526 -9.556 1.00 73.31 C ATOM 132 NE ARG A 9 -1.715 0.564 -10.779 1.00 35.30 N ATOM 133 CZ ARG A 9 -2.330 1.625 -11.315 1.00 54.13 C ATOM 134 NH1 ARG A 9 -2.407 2.801 -10.703 1.00 22.40 N ATOM 135 NH2 ARG A 9 -2.873 1.499 -12.511 1.00 54.15 N ATOM 0 H ARG A 9 -1.276 -1.654 -5.615 1.00 74.43 H new ATOM 0 HA ARG A 9 -3.644 0.006 -6.313 1.00 72.11 H new ATOM 0 HB2 ARG A 9 -1.901 -1.508 -8.256 1.00 74.13 H new ATOM 0 HB3 ARG A 9 -3.384 -0.649 -8.619 1.00 74.13 H new ATOM 0 HG2 ARG A 9 -2.373 1.488 -8.301 1.00 55.54 H new ATOM 0 HG3 ARG A 9 -1.016 0.820 -7.415 1.00 55.54 H new ATOM 0 HD2 ARG A 9 -0.172 1.341 -9.593 1.00 73.31 H new ATOM 0 HD3 ARG A 9 -0.327 -0.404 -9.544 1.00 73.31 H new ATOM 0 HE ARG A 9 -1.827 -0.320 -11.275 1.00 35.30 H new ATOM 0 HH11 ARG A 9 -1.986 2.925 -9.782 1.00 22.40 H new ATOM 0 HH12 ARG A 9 -2.887 3.580 -11.154 1.00 22.40 H new ATOM 0 HH21 ARG A 9 -2.818 0.608 -13.005 1.00 54.15 H new ATOM 0 HH22 ARG A 9 -3.348 2.292 -12.942 1.00 54.15 H new ATOM 149 N ASN A 10 -4.881 -2.271 -6.903 1.00 42.21 N ATOM 150 CA ASN A 10 -5.765 -3.429 -6.828 1.00 12.12 C ATOM 151 C ASN A 10 -6.377 -3.635 -5.433 1.00 72.44 C ATOM 152 O ASN A 10 -6.633 -4.759 -5.004 1.00 60.02 O ATOM 153 CB ASN A 10 -5.064 -4.677 -7.392 1.00 44.14 C ATOM 154 CG ASN A 10 -6.048 -5.760 -7.801 1.00 60.04 C ATOM 155 OD1 ASN A 10 -7.206 -5.481 -8.084 1.00 55.31 O ATOM 156 ND2 ASN A 10 -5.599 -6.999 -7.864 1.00 21.02 N ATOM 0 H ASN A 10 -5.259 -1.533 -7.497 1.00 42.21 H new ATOM 0 HA ASN A 10 -6.628 -3.232 -7.464 1.00 12.12 H new ATOM 0 HB2 ASN A 10 -4.461 -4.393 -8.255 1.00 44.14 H new ATOM 0 HB3 ASN A 10 -4.380 -5.076 -6.643 1.00 44.14 H new ATOM 0 HD21 ASN A 10 -6.222 -7.753 -8.154 1.00 21.02 H new ATOM 0 HD22 ASN A 10 -4.629 -7.203 -7.622 1.00 21.02 H new ATOM 163 N LEU A 11 -6.593 -2.563 -4.664 1.00 74.15 N ATOM 164 CA LEU A 11 -7.273 -2.637 -3.383 1.00 41.51 C ATOM 165 C LEU A 11 -8.765 -2.860 -3.666 1.00 14.33 C ATOM 166 O LEU A 11 -9.416 -2.005 -4.269 1.00 61.10 O ATOM 167 CB LEU A 11 -7.052 -1.334 -2.601 1.00 1.33 C ATOM 168 CG LEU A 11 -5.607 -1.011 -2.168 1.00 64.44 C ATOM 169 CD1 LEU A 11 -5.109 -1.875 -1.007 1.00 55.43 C ATOM 170 CD2 LEU A 11 -4.524 -1.028 -3.242 1.00 62.43 C ATOM 0 H LEU A 11 -6.297 -1.621 -4.920 1.00 74.15 H new ATOM 0 HA LEU A 11 -6.882 -3.455 -2.778 1.00 41.51 H new ATOM 0 HB2 LEU A 11 -7.415 -0.507 -3.212 1.00 1.33 H new ATOM 0 HB3 LEU A 11 -7.674 -1.367 -1.706 1.00 1.33 H new ATOM 0 HG LEU A 11 -5.738 0.029 -1.868 1.00 64.44 H new ATOM 0 HD11 LEU A 11 -4.086 -1.593 -0.756 1.00 55.43 H new ATOM 0 HD12 LEU A 11 -5.751 -1.723 -0.139 1.00 55.43 H new ATOM 0 HD13 LEU A 11 -5.135 -2.925 -1.298 1.00 55.43 H new ATOM 0 HD21 LEU A 11 -3.562 -0.783 -2.792 1.00 62.43 H new ATOM 0 HD22 LEU A 11 -4.473 -2.020 -3.691 1.00 62.43 H new ATOM 0 HD23 LEU A 11 -4.763 -0.293 -4.011 1.00 62.43 H new ATOM 182 N ASN A 12 -9.311 -3.995 -3.224 1.00 22.01 N ATOM 183 CA ASN A 12 -10.740 -4.300 -3.327 1.00 60.02 C ATOM 184 C ASN A 12 -11.543 -3.374 -2.416 1.00 55.43 C ATOM 185 O ASN A 12 -10.994 -2.834 -1.450 1.00 72.43 O ATOM 186 CB ASN A 12 -11.040 -5.767 -2.946 1.00 20.14 C ATOM 187 CG ASN A 12 -11.387 -6.663 -4.125 1.00 34.04 C ATOM 188 OD1 ASN A 12 -11.272 -6.263 -5.275 1.00 54.33 O ATOM 189 ND2 ASN A 12 -11.800 -7.889 -3.869 1.00 22.35 N ATOM 0 H ASN A 12 -8.768 -4.736 -2.780 1.00 22.01 H new ATOM 0 HA ASN A 12 -11.031 -4.147 -4.366 1.00 60.02 H new ATOM 0 HB2 ASN A 12 -10.172 -6.181 -2.433 1.00 20.14 H new ATOM 0 HB3 ASN A 12 -11.867 -5.784 -2.237 1.00 20.14 H new ATOM 0 HD21 ASN A 12 -12.029 -8.521 -4.636 1.00 22.35 H new ATOM 0 HD22 ASN A 12 -11.890 -8.206 -2.904 1.00 22.35 H new ATOM 196 N PRO A 13 -12.859 -3.270 -2.659 1.00 53.10 N ATOM 197 CA PRO A 13 -13.758 -2.435 -1.876 1.00 54.53 C ATOM 198 C PRO A 13 -13.995 -3.001 -0.471 1.00 2.22 C ATOM 199 O PRO A 13 -14.212 -2.233 0.459 1.00 12.45 O ATOM 200 CB PRO A 13 -15.053 -2.399 -2.697 1.00 60.21 C ATOM 201 CG PRO A 13 -15.051 -3.734 -3.426 1.00 0.34 C ATOM 202 CD PRO A 13 -13.584 -3.923 -3.745 1.00 15.14 C ATOM 0 HA PRO A 13 -13.346 -1.440 -1.706 1.00 54.53 H new ATOM 0 HB2 PRO A 13 -15.930 -2.292 -2.058 1.00 60.21 H new ATOM 0 HB3 PRO A 13 -15.063 -1.561 -3.394 1.00 60.21 H new ATOM 0 HG2 PRO A 13 -15.439 -4.539 -2.802 1.00 0.34 H new ATOM 0 HG3 PRO A 13 -15.663 -3.706 -4.327 1.00 0.34 H new ATOM 0 HD2 PRO A 13 -13.329 -4.981 -3.806 1.00 15.14 H new ATOM 0 HD3 PRO A 13 -13.332 -3.478 -4.708 1.00 15.14 H new ATOM 210 N HIS A 14 -13.969 -4.325 -0.308 1.00 24.44 N ATOM 211 CA HIS A 14 -14.226 -5.009 0.961 1.00 11.45 C ATOM 212 C HIS A 14 -13.086 -4.864 1.983 1.00 52.13 C ATOM 213 O HIS A 14 -13.299 -5.197 3.149 1.00 54.40 O ATOM 214 CB HIS A 14 -14.536 -6.501 0.715 1.00 72.43 C ATOM 215 CG HIS A 14 -16.003 -6.861 0.774 1.00 73.00 C ATOM 216 ND1 HIS A 14 -16.532 -7.967 1.404 1.00 53.31 N ATOM 217 CD2 HIS A 14 -17.045 -6.175 0.209 1.00 60.12 C ATOM 218 CE1 HIS A 14 -17.865 -7.928 1.245 1.00 62.12 C ATOM 219 NE2 HIS A 14 -18.230 -6.861 0.512 1.00 53.30 N ATOM 0 H HIS A 14 -13.764 -4.967 -1.073 1.00 24.44 H new ATOM 0 HA HIS A 14 -15.094 -4.517 1.399 1.00 11.45 H new ATOM 0 HB2 HIS A 14 -14.146 -6.782 -0.263 1.00 72.43 H new ATOM 0 HB3 HIS A 14 -14.000 -7.096 1.455 1.00 72.43 H new ATOM 0 HD2 HIS A 14 -16.968 -5.266 -0.368 1.00 60.12 H new ATOM 0 HE1 HIS A 14 -18.552 -8.656 1.651 1.00 62.12 H new ATOM 0 HE2 HIS A 14 -19.177 -6.603 0.233 1.00 53.30 H new ATOM 227 N SER A 15 -11.885 -4.432 1.585 1.00 2.52 N ATOM 228 CA SER A 15 -10.838 -4.020 2.511 1.00 72.33 C ATOM 229 C SER A 15 -10.957 -2.517 2.798 1.00 33.44 C ATOM 230 O SER A 15 -11.571 -1.792 2.025 1.00 72.44 O ATOM 231 CB SER A 15 -9.477 -4.297 1.876 1.00 20.11 C ATOM 232 OG SER A 15 -9.234 -5.671 1.625 1.00 23.00 O ATOM 0 H SER A 15 -11.615 -4.360 0.604 1.00 2.52 H new ATOM 0 HA SER A 15 -10.941 -4.576 3.443 1.00 72.33 H new ATOM 0 HB2 SER A 15 -9.405 -3.747 0.938 1.00 20.11 H new ATOM 0 HB3 SER A 15 -8.695 -3.913 2.531 1.00 20.11 H new ATOM 0 HG SER A 15 -10.024 -6.072 1.206 1.00 23.00 H new ATOM 238 N THR A 16 -10.262 -2.028 3.825 1.00 43.41 N ATOM 239 CA THR A 16 -10.201 -0.616 4.209 1.00 61.41 C ATOM 240 C THR A 16 -8.760 -0.222 4.530 1.00 25.42 C ATOM 241 O THR A 16 -8.302 0.849 4.126 1.00 41.20 O ATOM 242 CB THR A 16 -11.212 -0.343 5.344 1.00 31.41 C ATOM 243 OG1 THR A 16 -11.138 0.978 5.840 1.00 22.44 O ATOM 244 CG2 THR A 16 -11.135 -1.279 6.559 1.00 45.43 C ATOM 0 H THR A 16 -9.705 -2.626 4.436 1.00 43.41 H new ATOM 0 HA THR A 16 -10.500 0.026 3.381 1.00 61.41 H new ATOM 0 HB THR A 16 -12.158 -0.529 4.835 1.00 31.41 H new ATOM 0 HG1 THR A 16 -11.799 1.097 6.554 1.00 22.44 H new ATOM 0 HG21 THR A 16 -11.891 -0.991 7.289 1.00 45.43 H new ATOM 0 HG22 THR A 16 -11.312 -2.306 6.239 1.00 45.43 H new ATOM 0 HG23 THR A 16 -10.147 -1.206 7.013 1.00 45.43 H new ATOM 252 N MET A 17 -8.014 -1.107 5.205 1.00 63.04 N ATOM 253 CA MET A 17 -6.569 -1.067 5.361 1.00 41.13 C ATOM 254 C MET A 17 -6.127 -2.312 6.086 1.00 73.11 C ATOM 255 O MET A 17 -5.353 -3.086 5.548 1.00 21.40 O ATOM 256 CB MET A 17 -6.136 0.127 6.202 1.00 45.34 C ATOM 257 CG MET A 17 -4.635 0.372 6.094 1.00 74.24 C ATOM 258 SD MET A 17 -4.192 2.077 6.502 1.00 30.40 S ATOM 259 CE MET A 17 -4.859 2.293 8.164 1.00 31.13 C ATOM 0 H MET A 17 -8.432 -1.908 5.678 1.00 63.04 H new ATOM 0 HA MET A 17 -6.123 -0.992 4.369 1.00 41.13 H new ATOM 0 HB2 MET A 17 -6.675 1.017 5.877 1.00 45.34 H new ATOM 0 HB3 MET A 17 -6.404 -0.045 7.245 1.00 45.34 H new ATOM 0 HG2 MET A 17 -4.108 -0.309 6.763 1.00 74.24 H new ATOM 0 HG3 MET A 17 -4.303 0.144 5.081 1.00 74.24 H new ATOM 0 HE1 MET A 17 -4.676 3.314 8.500 1.00 31.13 H new ATOM 0 HE2 MET A 17 -5.932 2.101 8.153 1.00 31.13 H new ATOM 0 HE3 MET A 17 -4.372 1.595 8.845 1.00 31.13 H new ATOM 269 N ASP A 18 -6.637 -2.485 7.304 1.00 21.14 N ATOM 270 CA ASP A 18 -6.134 -3.384 8.331 1.00 5.10 C ATOM 271 C ASP A 18 -5.942 -4.817 7.834 1.00 5.52 C ATOM 272 O ASP A 18 -5.004 -5.493 8.251 1.00 24.14 O ATOM 273 CB ASP A 18 -7.129 -3.336 9.490 1.00 52.12 C ATOM 274 CG ASP A 18 -6.704 -4.262 10.617 1.00 14.13 C ATOM 275 OD1 ASP A 18 -7.367 -5.299 10.811 1.00 65.25 O ATOM 276 OD2 ASP A 18 -5.705 -3.954 11.301 1.00 65.41 O ATOM 0 H ASP A 18 -7.460 -1.969 7.615 1.00 21.14 H new ATOM 0 HA ASP A 18 -5.142 -3.056 8.642 1.00 5.10 H new ATOM 0 HB2 ASP A 18 -7.207 -2.315 9.864 1.00 52.12 H new ATOM 0 HB3 ASP A 18 -8.119 -3.622 9.135 1.00 52.12 H new ATOM 281 N SER A 19 -6.773 -5.251 6.886 1.00 31.12 N ATOM 282 CA SER A 19 -6.611 -6.551 6.238 1.00 75.23 C ATOM 283 C SER A 19 -5.287 -6.591 5.468 1.00 21.32 C ATOM 284 O SER A 19 -4.408 -7.389 5.778 1.00 22.03 O ATOM 285 CB SER A 19 -7.801 -6.820 5.313 1.00 23.24 C ATOM 286 OG SER A 19 -8.949 -7.148 6.070 1.00 51.45 O ATOM 0 H SER A 19 -7.572 -4.715 6.548 1.00 31.12 H new ATOM 0 HA SER A 19 -6.584 -7.335 6.995 1.00 75.23 H new ATOM 0 HB2 SER A 19 -8.000 -5.940 4.701 1.00 23.24 H new ATOM 0 HB3 SER A 19 -7.562 -7.636 4.631 1.00 23.24 H new ATOM 0 HG SER A 19 -9.702 -7.316 5.466 1.00 51.45 H new ATOM 292 N ILE A 20 -5.120 -5.687 4.502 1.00 73.35 N ATOM 293 CA ILE A 20 -3.896 -5.524 3.727 1.00 20.31 C ATOM 294 C ILE A 20 -2.734 -5.343 4.699 1.00 42.21 C ATOM 295 O ILE A 20 -1.691 -5.952 4.522 1.00 22.42 O ATOM 296 CB ILE A 20 -4.021 -4.326 2.756 1.00 51.12 C ATOM 297 CG1 ILE A 20 -5.309 -4.372 1.892 1.00 24.23 C ATOM 298 CG2 ILE A 20 -2.801 -4.229 1.824 1.00 53.35 C ATOM 299 CD1 ILE A 20 -6.160 -3.120 2.124 1.00 0.30 C ATOM 0 H ILE A 20 -5.854 -5.032 4.232 1.00 73.35 H new ATOM 0 HA ILE A 20 -3.716 -6.408 3.115 1.00 20.31 H new ATOM 0 HB ILE A 20 -4.073 -3.443 3.393 1.00 51.12 H new ATOM 0 HG12 ILE A 20 -5.043 -4.447 0.838 1.00 24.23 H new ATOM 0 HG13 ILE A 20 -5.887 -5.262 2.139 1.00 24.23 H new ATOM 0 HG21 ILE A 20 -2.921 -3.377 1.155 1.00 53.35 H new ATOM 0 HG22 ILE A 20 -1.898 -4.098 2.420 1.00 53.35 H new ATOM 0 HG23 ILE A 20 -2.719 -5.143 1.236 1.00 53.35 H new ATOM 0 HD11 ILE A 20 -7.058 -3.172 1.509 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -6.443 -3.062 3.175 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -5.585 -2.234 1.853 1.00 0.30 H new ATOM 311 N LEU A 21 -2.918 -4.529 5.734 1.00 20.41 N ATOM 312 CA LEU A 21 -1.829 -4.053 6.563 1.00 52.35 C ATOM 313 C LEU A 21 -1.195 -5.141 7.419 1.00 64.44 C ATOM 314 O LEU A 21 -0.039 -4.979 7.801 1.00 42.02 O ATOM 315 CB LEU A 21 -2.365 -2.909 7.453 1.00 30.14 C ATOM 316 CG LEU A 21 -1.383 -1.759 7.718 1.00 41.42 C ATOM 317 CD1 LEU A 21 -1.091 -0.971 6.432 1.00 32.13 C ATOM 318 CD2 LEU A 21 -1.965 -0.828 8.794 1.00 72.55 C ATOM 0 H LEU A 21 -3.834 -4.182 6.018 1.00 20.41 H new ATOM 0 HA LEU A 21 -1.035 -3.701 5.904 1.00 52.35 H new ATOM 0 HB2 LEU A 21 -3.260 -2.498 6.986 1.00 30.14 H new ATOM 0 HB3 LEU A 21 -2.670 -3.330 8.411 1.00 30.14 H new ATOM 0 HG LEU A 21 -0.441 -2.179 8.070 1.00 41.42 H new ATOM 0 HD11 LEU A 21 -0.393 -0.163 6.651 1.00 32.13 H new ATOM 0 HD12 LEU A 21 -0.654 -1.637 5.688 1.00 32.13 H new ATOM 0 HD13 LEU A 21 -2.019 -0.553 6.043 1.00 32.13 H new ATOM 0 HD21 LEU A 21 -1.269 -0.011 8.983 1.00 72.55 H new ATOM 0 HD22 LEU A 21 -2.916 -0.422 8.448 1.00 72.55 H new ATOM 0 HD23 LEU A 21 -2.124 -1.390 9.714 1.00 72.55 H new ATOM 330 N GLY A 22 -1.916 -6.235 7.680 1.00 43.21 N ATOM 331 CA GLY A 22 -1.394 -7.367 8.436 1.00 20.11 C ATOM 332 C GLY A 22 -1.116 -8.580 7.552 1.00 0.14 C ATOM 333 O GLY A 22 -0.313 -9.430 7.934 1.00 52.03 O ATOM 0 H GLY A 22 -2.880 -6.357 7.370 1.00 43.21 H new ATOM 0 HA2 GLY A 22 -0.474 -7.070 8.940 1.00 20.11 H new ATOM 0 HA3 GLY A 22 -2.108 -7.643 9.212 1.00 20.11 H new ATOM 337 N ALA A 23 -1.755 -8.684 6.381 1.00 0.32 N ATOM 338 CA ALA A 23 -1.531 -9.787 5.456 1.00 0.12 C ATOM 339 C ALA A 23 -0.304 -9.495 4.611 1.00 4.11 C ATOM 340 O ALA A 23 0.569 -10.347 4.458 1.00 62.45 O ATOM 341 CB ALA A 23 -2.727 -9.948 4.522 1.00 41.53 C ATOM 0 H ALA A 23 -2.440 -8.003 6.054 1.00 0.32 H new ATOM 0 HA ALA A 23 -1.391 -10.701 6.034 1.00 0.12 H new ATOM 0 HB1 ALA A 23 -2.545 -10.776 3.837 1.00 41.53 H new ATOM 0 HB2 ALA A 23 -3.622 -10.153 5.109 1.00 41.53 H new ATOM 0 HB3 ALA A 23 -2.870 -9.030 3.952 1.00 41.53 H new ATOM 347 N LEU A 24 -0.216 -8.276 4.071 1.00 24.42 N ATOM 348 CA LEU A 24 0.816 -7.880 3.128 1.00 42.44 C ATOM 349 C LEU A 24 2.101 -7.505 3.878 1.00 23.32 C ATOM 350 O LEU A 24 2.939 -6.769 3.355 1.00 52.04 O ATOM 351 CB LEU A 24 0.262 -6.712 2.296 1.00 31.14 C ATOM 352 CG LEU A 24 0.982 -6.540 0.947 1.00 63.25 C ATOM 353 CD1 LEU A 24 0.395 -7.485 -0.105 1.00 23.14 C ATOM 354 CD2 LEU A 24 0.832 -5.103 0.452 1.00 31.42 C ATOM 0 H LEU A 24 -0.876 -7.528 4.286 1.00 24.42 H new ATOM 0 HA LEU A 24 1.077 -8.700 2.459 1.00 42.44 H new ATOM 0 HB2 LEU A 24 -0.801 -6.873 2.116 1.00 31.14 H new ATOM 0 HB3 LEU A 24 0.352 -5.790 2.870 1.00 31.14 H new ATOM 0 HG LEU A 24 2.036 -6.775 1.096 1.00 63.25 H new ATOM 0 HD11 LEU A 24 0.919 -7.347 -1.051 1.00 23.14 H new ATOM 0 HD12 LEU A 24 0.512 -8.517 0.227 1.00 23.14 H new ATOM 0 HD13 LEU A 24 -0.664 -7.265 -0.241 1.00 23.14 H new ATOM 0 HD21 LEU A 24 1.345 -4.992 -0.503 1.00 31.42 H new ATOM 0 HD22 LEU A 24 -0.225 -4.870 0.325 1.00 31.42 H new ATOM 0 HD23 LEU A 24 1.269 -4.420 1.180 1.00 31.42 H new ATOM 366 N ALA A 25 2.254 -7.961 5.126 1.00 72.41 N ATOM 367 CA ALA A 25 3.306 -7.558 6.038 1.00 42.14 C ATOM 368 C ALA A 25 4.198 -8.723 6.516 1.00 42.01 C ATOM 369 O ALA A 25 4.480 -8.817 7.712 1.00 61.35 O ATOM 370 CB ALA A 25 2.599 -6.894 7.205 1.00 33.21 C ATOM 0 H ALA A 25 1.619 -8.647 5.535 1.00 72.41 H new ATOM 0 HA ALA A 25 3.998 -6.886 5.531 1.00 42.14 H new ATOM 0 HB1 ALA A 25 3.336 -6.563 7.936 1.00 33.21 H new ATOM 0 HB2 ALA A 25 2.033 -6.034 6.846 1.00 33.21 H new ATOM 0 HB3 ALA A 25 1.919 -7.607 7.672 1.00 33.21 H new ATOM 376 N PRO A 26 4.786 -9.535 5.617 1.00 2.11 N ATOM 377 CA PRO A 26 5.837 -10.466 6.008 1.00 51.14 C ATOM 378 C PRO A 26 7.135 -9.740 6.409 1.00 33.44 C ATOM 379 O PRO A 26 7.918 -10.296 7.176 1.00 60.41 O ATOM 380 CB PRO A 26 6.019 -11.413 4.818 1.00 13.10 C ATOM 381 CG PRO A 26 5.444 -10.665 3.612 1.00 11.04 C ATOM 382 CD PRO A 26 4.448 -9.683 4.212 1.00 14.33 C ATOM 0 HA PRO A 26 5.563 -11.026 6.902 1.00 51.14 H new ATOM 0 HB2 PRO A 26 7.071 -11.655 4.665 1.00 13.10 H new ATOM 0 HB3 PRO A 26 5.496 -12.355 4.982 1.00 13.10 H new ATOM 0 HG2 PRO A 26 6.226 -10.147 3.056 1.00 11.04 H new ATOM 0 HG3 PRO A 26 4.957 -11.348 2.916 1.00 11.04 H new ATOM 0 HD2 PRO A 26 4.499 -8.722 3.700 1.00 14.33 H new ATOM 0 HD3 PRO A 26 3.428 -10.051 4.098 1.00 14.33 H new ATOM 390 N TYR A 27 7.348 -8.502 5.935 1.00 20.43 N ATOM 391 CA TYR A 27 8.568 -7.717 6.171 1.00 14.11 C ATOM 392 C TYR A 27 8.271 -6.294 6.659 1.00 42.05 C ATOM 393 O TYR A 27 9.141 -5.668 7.263 1.00 41.21 O ATOM 394 CB TYR A 27 9.448 -7.674 4.909 1.00 42.35 C ATOM 395 CG TYR A 27 9.671 -9.028 4.264 1.00 52.04 C ATOM 396 CD1 TYR A 27 8.781 -9.465 3.271 1.00 20.31 C ATOM 397 CD2 TYR A 27 10.703 -9.879 4.697 1.00 32.21 C ATOM 398 CE1 TYR A 27 8.875 -10.764 2.750 1.00 0.20 C ATOM 399 CE2 TYR A 27 10.823 -11.175 4.163 1.00 3.23 C ATOM 400 CZ TYR A 27 9.897 -11.627 3.197 1.00 41.22 C ATOM 401 OH TYR A 27 9.995 -12.882 2.677 1.00 73.15 O ATOM 0 H TYR A 27 6.661 -8.009 5.365 1.00 20.43 H new ATOM 0 HA TYR A 27 9.112 -8.225 6.968 1.00 14.11 H new ATOM 0 HB2 TYR A 27 8.987 -7.008 4.180 1.00 42.35 H new ATOM 0 HB3 TYR A 27 10.415 -7.243 5.168 1.00 42.35 H new ATOM 0 HD1 TYR A 27 8.017 -8.795 2.905 1.00 20.31 H new ATOM 0 HD2 TYR A 27 11.406 -9.537 5.442 1.00 32.21 H new ATOM 0 HE1 TYR A 27 8.167 -11.102 2.008 1.00 0.20 H new ATOM 0 HE2 TYR A 27 11.622 -11.823 4.491 1.00 3.23 H new ATOM 0 HH TYR A 27 10.752 -13.349 3.089 1.00 73.15 H new ATOM 411 N ALA A 28 7.082 -5.750 6.361 1.00 4.14 N ATOM 412 CA ALA A 28 6.678 -4.411 6.770 1.00 5.23 C ATOM 413 C ALA A 28 5.191 -4.387 7.114 1.00 53.15 C ATOM 414 O ALA A 28 4.333 -4.392 6.225 1.00 72.23 O ATOM 415 CB ALA A 28 7.018 -3.382 5.691 1.00 5.32 C ATOM 0 H ALA A 28 6.369 -6.241 5.821 1.00 4.14 H new ATOM 0 HA ALA A 28 7.237 -4.140 7.666 1.00 5.23 H new ATOM 0 HB1 ALA A 28 6.706 -2.391 6.022 1.00 5.32 H new ATOM 0 HB2 ALA A 28 8.093 -3.383 5.513 1.00 5.32 H new ATOM 0 HB3 ALA A 28 6.497 -3.637 4.768 1.00 5.32 H new ATOM 421 N VAL A 29 4.895 -4.366 8.405 1.00 10.01 N ATOM 422 CA VAL A 29 3.647 -3.877 8.963 1.00 61.32 C ATOM 423 C VAL A 29 3.821 -2.359 8.992 1.00 62.43 C ATOM 424 O VAL A 29 4.650 -1.861 9.757 1.00 42.45 O ATOM 425 CB VAL A 29 3.418 -4.423 10.392 1.00 11.01 C ATOM 426 CG1 VAL A 29 2.045 -4.000 10.934 1.00 13.33 C ATOM 427 CG2 VAL A 29 3.514 -5.952 10.488 1.00 33.20 C ATOM 0 H VAL A 29 5.543 -4.702 9.118 1.00 10.01 H new ATOM 0 HA VAL A 29 2.783 -4.195 8.379 1.00 61.32 H new ATOM 0 HB VAL A 29 4.221 -3.991 10.989 1.00 11.01 H new ATOM 0 HG11 VAL A 29 1.912 -4.398 11.940 1.00 13.33 H new ATOM 0 HG12 VAL A 29 1.985 -2.912 10.964 1.00 13.33 H new ATOM 0 HG13 VAL A 29 1.262 -4.389 10.284 1.00 13.33 H new ATOM 0 HG21 VAL A 29 3.343 -6.263 11.518 1.00 33.20 H new ATOM 0 HG22 VAL A 29 2.762 -6.405 9.842 1.00 33.20 H new ATOM 0 HG23 VAL A 29 4.506 -6.275 10.172 1.00 33.20 H new ATOM 437 N LEU A 30 3.133 -1.619 8.125 1.00 62.52 N ATOM 438 CA LEU A 30 3.070 -0.176 8.305 1.00 71.11 C ATOM 439 C LEU A 30 2.120 0.164 9.446 1.00 1.43 C ATOM 440 O LEU A 30 1.176 -0.577 9.724 1.00 54.21 O ATOM 441 CB LEU A 30 2.545 0.519 7.053 1.00 65.25 C ATOM 442 CG LEU A 30 3.397 0.445 5.784 1.00 70.52 C ATOM 443 CD1 LEU A 30 4.887 0.667 6.051 1.00 30.43 C ATOM 444 CD2 LEU A 30 3.179 -0.814 4.953 1.00 63.21 C ATOM 0 H LEU A 30 2.627 -1.982 7.317 1.00 62.52 H new ATOM 0 HA LEU A 30 4.083 0.166 8.519 1.00 71.11 H new ATOM 0 HB2 LEU A 30 1.565 0.100 6.823 1.00 65.25 H new ATOM 0 HB3 LEU A 30 2.393 1.571 7.293 1.00 65.25 H new ATOM 0 HG LEU A 30 3.036 1.278 5.180 1.00 70.52 H new ATOM 0 HD11 LEU A 30 5.438 0.603 5.113 1.00 30.43 H new ATOM 0 HD12 LEU A 30 5.035 1.653 6.492 1.00 30.43 H new ATOM 0 HD13 LEU A 30 5.251 -0.096 6.739 1.00 30.43 H new ATOM 0 HD21 LEU A 30 3.821 -0.785 4.073 1.00 63.21 H new ATOM 0 HD22 LEU A 30 3.423 -1.692 5.551 1.00 63.21 H new ATOM 0 HD23 LEU A 30 2.136 -0.867 4.640 1.00 63.21 H new ATOM 456 N SER A 31 2.304 1.342 10.035 1.00 63.14 N ATOM 457 CA SER A 31 1.346 1.926 10.956 1.00 61.42 C ATOM 458 C SER A 31 0.269 2.679 10.158 1.00 23.44 C ATOM 459 O SER A 31 0.483 3.119 9.026 1.00 65.14 O ATOM 460 CB SER A 31 2.107 2.818 11.944 1.00 2.42 C ATOM 461 OG SER A 31 3.185 2.084 12.509 1.00 4.30 O ATOM 0 H SER A 31 3.131 1.920 9.882 1.00 63.14 H new ATOM 0 HA SER A 31 0.827 1.163 11.536 1.00 61.42 H new ATOM 0 HB2 SER A 31 2.484 3.705 11.434 1.00 2.42 H new ATOM 0 HB3 SER A 31 1.436 3.163 12.730 1.00 2.42 H new ATOM 0 HG SER A 31 3.674 2.653 13.140 1.00 4.30 H new ATOM 467 N SER A 32 -0.919 2.838 10.743 1.00 30.33 N ATOM 468 CA SER A 32 -2.099 3.375 10.076 1.00 33.11 C ATOM 469 C SER A 32 -1.954 4.827 9.632 1.00 42.14 C ATOM 470 O SER A 32 -2.645 5.260 8.704 1.00 30.43 O ATOM 471 CB SER A 32 -3.311 3.208 10.997 1.00 32.22 C ATOM 472 OG SER A 32 -3.061 3.575 12.339 1.00 73.14 O ATOM 0 H SER A 32 -1.088 2.590 11.718 1.00 30.33 H new ATOM 0 HA SER A 32 -2.234 2.806 9.156 1.00 33.11 H new ATOM 0 HB2 SER A 32 -4.134 3.810 10.612 1.00 32.22 H new ATOM 0 HB3 SER A 32 -3.637 2.168 10.969 1.00 32.22 H new ATOM 0 HG SER A 32 -3.874 3.446 12.870 1.00 73.14 H new ATOM 478 N SER A 33 -1.081 5.592 10.286 1.00 62.55 N ATOM 479 CA SER A 33 -0.781 6.950 9.848 1.00 43.23 C ATOM 480 C SER A 33 -0.115 6.900 8.475 1.00 30.20 C ATOM 481 O SER A 33 -0.544 7.602 7.558 1.00 63.55 O ATOM 482 CB SER A 33 0.116 7.687 10.844 1.00 13.12 C ATOM 483 OG SER A 33 -0.081 9.090 10.748 1.00 64.45 O ATOM 0 H SER A 33 -0.572 5.294 11.118 1.00 62.55 H new ATOM 0 HA SER A 33 -1.718 7.503 9.788 1.00 43.23 H new ATOM 0 HB2 SER A 33 -0.104 7.352 11.858 1.00 13.12 H new ATOM 0 HB3 SER A 33 1.161 7.446 10.648 1.00 13.12 H new ATOM 0 HG SER A 33 0.499 9.547 11.393 1.00 64.45 H new ATOM 489 N ASN A 34 0.896 6.039 8.329 1.00 2.03 N ATOM 490 CA ASN A 34 1.753 5.949 7.155 1.00 62.54 C ATOM 491 C ASN A 34 0.985 5.552 5.907 1.00 65.55 C ATOM 492 O ASN A 34 1.516 5.725 4.817 1.00 71.54 O ATOM 493 CB ASN A 34 2.858 4.905 7.382 1.00 25.53 C ATOM 494 CG ASN A 34 3.752 5.287 8.544 1.00 50.14 C ATOM 495 OD1 ASN A 34 3.312 5.248 9.684 1.00 63.25 O ATOM 496 ND2 ASN A 34 4.972 5.719 8.289 1.00 63.11 N ATOM 0 H ASN A 34 1.145 5.365 9.053 1.00 2.03 H new ATOM 0 HA ASN A 34 2.177 6.942 7.006 1.00 62.54 H new ATOM 0 HB2 ASN A 34 2.407 3.932 7.574 1.00 25.53 H new ATOM 0 HB3 ASN A 34 3.458 4.806 6.477 1.00 25.53 H new ATOM 0 HD21 ASN A 34 5.573 6.031 9.052 1.00 63.11 H new ATOM 0 HD22 ASN A 34 5.315 5.741 7.329 1.00 63.11 H new ATOM 503 N VAL A 35 -0.217 4.992 6.047 1.00 13.21 N ATOM 504 CA VAL A 35 -0.974 4.390 4.966 1.00 13.32 C ATOM 505 C VAL A 35 -2.292 5.135 4.776 1.00 63.12 C ATOM 506 O VAL A 35 -3.298 4.894 5.450 1.00 71.13 O ATOM 507 CB VAL A 35 -1.066 2.868 5.167 1.00 30.51 C ATOM 508 CG1 VAL A 35 -1.776 2.202 3.979 1.00 11.00 C ATOM 509 CG2 VAL A 35 0.353 2.290 5.223 1.00 62.25 C ATOM 0 H VAL A 35 -0.699 4.947 6.945 1.00 13.21 H new ATOM 0 HA VAL A 35 -0.463 4.500 4.010 1.00 13.32 H new ATOM 0 HB VAL A 35 -1.620 2.678 6.086 1.00 30.51 H new ATOM 0 HG11 VAL A 35 -1.829 1.126 4.144 1.00 11.00 H new ATOM 0 HG12 VAL A 35 -2.784 2.605 3.885 1.00 11.00 H new ATOM 0 HG13 VAL A 35 -1.219 2.402 3.064 1.00 11.00 H new ATOM 0 HG21 VAL A 35 0.301 1.211 5.365 1.00 62.25 H new ATOM 0 HG22 VAL A 35 0.872 2.508 4.290 1.00 62.25 H new ATOM 0 HG23 VAL A 35 0.897 2.740 6.054 1.00 62.25 H new ATOM 519 N ARG A 36 -2.295 6.072 3.827 1.00 54.31 N ATOM 520 CA ARG A 36 -3.521 6.730 3.388 1.00 11.22 C ATOM 521 C ARG A 36 -4.245 5.792 2.426 1.00 54.52 C ATOM 522 O ARG A 36 -3.759 5.571 1.314 1.00 21.23 O ATOM 523 CB ARG A 36 -3.208 8.105 2.763 1.00 31.43 C ATOM 524 CG ARG A 36 -3.911 9.250 3.508 1.00 13.34 C ATOM 525 CD ARG A 36 -5.444 9.259 3.336 1.00 30.45 C ATOM 526 NE ARG A 36 -6.151 9.114 4.625 1.00 11.54 N ATOM 527 CZ ARG A 36 -7.281 9.731 5.005 1.00 3.14 C ATOM 528 NH1 ARG A 36 -7.996 10.477 4.168 1.00 41.44 N ATOM 529 NH2 ARG A 36 -7.701 9.616 6.254 1.00 30.45 N ATOM 0 H ARG A 36 -1.454 6.392 3.346 1.00 54.31 H new ATOM 0 HA ARG A 36 -4.177 6.931 4.235 1.00 11.22 H new ATOM 0 HB2 ARG A 36 -2.131 8.272 2.775 1.00 31.43 H new ATOM 0 HB3 ARG A 36 -3.519 8.108 1.718 1.00 31.43 H new ATOM 0 HG2 ARG A 36 -3.675 9.179 4.570 1.00 13.34 H new ATOM 0 HG3 ARG A 36 -3.510 10.200 3.155 1.00 13.34 H new ATOM 0 HD2 ARG A 36 -5.749 10.190 2.859 1.00 30.45 H new ATOM 0 HD3 ARG A 36 -5.738 8.448 2.669 1.00 30.45 H new ATOM 0 HE ARG A 36 -5.734 8.474 5.301 1.00 11.54 H new ATOM 0 HH11 ARG A 36 -7.690 10.595 3.202 1.00 41.44 H new ATOM 0 HH12 ARG A 36 -8.850 10.931 4.492 1.00 41.44 H new ATOM 0 HH21 ARG A 36 -7.167 9.061 6.923 1.00 30.45 H new ATOM 0 HH22 ARG A 36 -8.559 10.083 6.549 1.00 30.45 H new ATOM 543 N VAL A 37 -5.404 5.273 2.826 1.00 31.22 N ATOM 544 CA VAL A 37 -6.385 4.712 1.904 1.00 53.13 C ATOM 545 C VAL A 37 -7.513 5.737 1.907 1.00 23.13 C ATOM 546 O VAL A 37 -8.258 5.841 2.882 1.00 21.15 O ATOM 547 CB VAL A 37 -6.851 3.289 2.294 1.00 65.34 C ATOM 548 CG1 VAL A 37 -7.592 2.616 1.124 1.00 45.41 C ATOM 549 CG2 VAL A 37 -5.682 2.389 2.731 1.00 62.24 C ATOM 0 H VAL A 37 -5.689 5.230 3.804 1.00 31.22 H new ATOM 0 HA VAL A 37 -5.971 4.557 0.908 1.00 53.13 H new ATOM 0 HB VAL A 37 -7.526 3.408 3.142 1.00 65.34 H new ATOM 0 HG11 VAL A 37 -7.910 1.617 1.421 1.00 45.41 H new ATOM 0 HG12 VAL A 37 -8.466 3.210 0.857 1.00 45.41 H new ATOM 0 HG13 VAL A 37 -6.925 2.544 0.265 1.00 45.41 H new ATOM 0 HG21 VAL A 37 -6.062 1.402 2.994 1.00 62.24 H new ATOM 0 HG22 VAL A 37 -4.968 2.297 1.913 1.00 62.24 H new ATOM 0 HG23 VAL A 37 -5.187 2.830 3.596 1.00 62.24 H new ATOM 559 N ILE A 38 -7.576 6.574 0.874 1.00 70.11 N ATOM 560 CA ILE A 38 -8.711 7.463 0.674 1.00 30.11 C ATOM 561 C ILE A 38 -9.897 6.562 0.317 1.00 25.33 C ATOM 562 O ILE A 38 -9.761 5.638 -0.497 1.00 72.32 O ATOM 563 CB ILE A 38 -8.440 8.492 -0.443 1.00 61.14 C ATOM 564 CG1 ILE A 38 -7.064 9.190 -0.317 1.00 44.23 C ATOM 565 CG2 ILE A 38 -9.574 9.529 -0.476 1.00 2.43 C ATOM 566 CD1 ILE A 38 -6.773 10.172 -1.461 1.00 3.42 C ATOM 0 H ILE A 38 -6.850 6.653 0.162 1.00 70.11 H new ATOM 0 HA ILE A 38 -8.910 8.046 1.573 1.00 30.11 H new ATOM 0 HB ILE A 38 -8.410 7.942 -1.384 1.00 61.14 H new ATOM 0 HG12 ILE A 38 -7.022 9.725 0.631 1.00 44.23 H new ATOM 0 HG13 ILE A 38 -6.281 8.432 -0.290 1.00 44.23 H new ATOM 0 HG21 ILE A 38 -9.380 10.255 -1.266 1.00 2.43 H new ATOM 0 HG22 ILE A 38 -10.521 9.026 -0.670 1.00 2.43 H new ATOM 0 HG23 ILE A 38 -9.625 10.043 0.484 1.00 2.43 H new ATOM 0 HD11 ILE A 38 -5.793 10.626 -1.311 1.00 3.42 H new ATOM 0 HD12 ILE A 38 -6.783 9.637 -2.411 1.00 3.42 H new ATOM 0 HD13 ILE A 38 -7.535 10.951 -1.475 1.00 3.42 H new ATOM 578 N LYS A 39 -11.057 6.838 0.911 1.00 44.10 N ATOM 579 CA LYS A 39 -12.290 6.116 0.644 1.00 53.40 C ATOM 580 C LYS A 39 -13.405 7.113 0.350 1.00 4.51 C ATOM 581 O LYS A 39 -13.275 8.287 0.706 1.00 62.30 O ATOM 582 CB LYS A 39 -12.665 5.205 1.823 1.00 24.44 C ATOM 583 CG LYS A 39 -11.540 4.464 2.581 1.00 45.31 C ATOM 584 CD LYS A 39 -11.290 5.106 3.955 1.00 41.41 C ATOM 585 CE LYS A 39 -10.356 4.254 4.822 1.00 34.02 C ATOM 586 NZ LYS A 39 -10.351 4.725 6.225 1.00 10.23 N ATOM 0 H LYS A 39 -11.163 7.582 1.601 1.00 44.10 H new ATOM 0 HA LYS A 39 -12.144 5.476 -0.226 1.00 53.40 H new ATOM 0 HB2 LYS A 39 -13.207 5.811 2.548 1.00 24.44 H new ATOM 0 HB3 LYS A 39 -13.362 4.454 1.451 1.00 24.44 H new ATOM 0 HG2 LYS A 39 -11.811 3.416 2.709 1.00 45.31 H new ATOM 0 HG3 LYS A 39 -10.623 4.487 1.992 1.00 45.31 H new ATOM 0 HD2 LYS A 39 -10.856 6.097 3.819 1.00 41.41 H new ATOM 0 HD3 LYS A 39 -12.241 5.242 4.471 1.00 41.41 H new ATOM 0 HE2 LYS A 39 -10.673 3.212 4.787 1.00 34.02 H new ATOM 0 HE3 LYS A 39 -9.344 4.294 4.419 1.00 34.02 H new ATOM 0 HZ1 LYS A 39 -9.711 4.130 6.789 1.00 10.23 H new ATOM 0 HZ2 LYS A 39 -10.026 5.712 6.259 1.00 10.23 H new ATOM 0 HZ3 LYS A 39 -11.313 4.664 6.615 1.00 10.23 H new ATOM 600 N ASP A 40 -14.480 6.648 -0.287 1.00 23.31 N ATOM 601 CA ASP A 40 -15.592 7.490 -0.727 1.00 42.54 C ATOM 602 C ASP A 40 -16.402 8.049 0.464 1.00 64.33 C ATOM 603 O ASP A 40 -16.074 7.809 1.628 1.00 10.45 O ATOM 604 CB ASP A 40 -16.503 6.671 -1.653 1.00 14.35 C ATOM 605 CG ASP A 40 -17.315 7.571 -2.585 1.00 23.01 C ATOM 606 OD1 ASP A 40 -18.476 7.868 -2.236 1.00 5.13 O ATOM 607 OD2 ASP A 40 -16.757 8.033 -3.609 1.00 51.33 O ATOM 0 H ASP A 40 -14.604 5.662 -0.515 1.00 23.31 H new ATOM 0 HA ASP A 40 -15.183 8.346 -1.264 1.00 42.54 H new ATOM 0 HB2 ASP A 40 -15.898 5.985 -2.245 1.00 14.35 H new ATOM 0 HB3 ASP A 40 -17.180 6.063 -1.053 1.00 14.35 H new ATOM 612 N LYS A 41 -17.501 8.759 0.189 1.00 30.43 N ATOM 613 CA LYS A 41 -18.446 9.273 1.179 1.00 61.01 C ATOM 614 C LYS A 41 -19.786 8.554 1.088 1.00 24.21 C ATOM 615 O LYS A 41 -20.396 8.249 2.116 1.00 31.04 O ATOM 616 CB LYS A 41 -18.688 10.779 0.969 1.00 34.15 C ATOM 617 CG LYS A 41 -17.430 11.659 0.882 1.00 10.31 C ATOM 618 CD LYS A 41 -16.760 11.680 -0.510 1.00 41.51 C ATOM 619 CE LYS A 41 -16.342 13.073 -1.013 1.00 2.23 C ATOM 620 NZ LYS A 41 -15.510 13.822 -0.052 1.00 30.22 N ATOM 0 H LYS A 41 -17.764 8.999 -0.767 1.00 30.43 H new ATOM 0 HA LYS A 41 -18.007 9.099 2.161 1.00 61.01 H new ATOM 0 HB2 LYS A 41 -19.263 10.910 0.052 1.00 34.15 H new ATOM 0 HB3 LYS A 41 -19.307 11.145 1.788 1.00 34.15 H new ATOM 0 HG2 LYS A 41 -17.695 12.679 1.159 1.00 10.31 H new ATOM 0 HG3 LYS A 41 -16.704 11.308 1.616 1.00 10.31 H new ATOM 0 HD2 LYS A 41 -15.877 11.042 -0.481 1.00 41.51 H new ATOM 0 HD3 LYS A 41 -17.447 11.241 -1.233 1.00 41.51 H new ATOM 0 HE2 LYS A 41 -15.793 12.963 -1.948 1.00 2.23 H new ATOM 0 HE3 LYS A 41 -17.237 13.654 -1.236 1.00 2.23 H new ATOM 0 HZ1 LYS A 41 -15.153 14.688 -0.503 1.00 30.22 H new ATOM 0 HZ2 LYS A 41 -16.082 14.075 0.779 1.00 30.22 H new ATOM 0 HZ3 LYS A 41 -14.708 13.231 0.247 1.00 30.22 H new ATOM 634 N GLN A 42 -20.250 8.293 -0.133 1.00 2.13 N ATOM 635 CA GLN A 42 -21.573 7.754 -0.386 1.00 2.41 C ATOM 636 C GLN A 42 -21.501 6.267 -0.688 1.00 41.21 C ATOM 637 O GLN A 42 -22.383 5.531 -0.251 1.00 3.15 O ATOM 638 CB GLN A 42 -22.262 8.497 -1.516 1.00 10.35 C ATOM 639 CG GLN A 42 -22.757 9.896 -1.113 1.00 25.05 C ATOM 640 CD GLN A 42 -23.518 10.565 -2.255 1.00 42.43 C ATOM 641 OE1 GLN A 42 -24.073 9.886 -3.122 1.00 51.21 O ATOM 642 NE2 GLN A 42 -23.559 11.883 -2.296 1.00 2.33 N ATOM 0 H GLN A 42 -19.706 8.454 -0.981 1.00 2.13 H new ATOM 0 HA GLN A 42 -22.167 7.892 0.518 1.00 2.41 H new ATOM 0 HB2 GLN A 42 -21.571 8.591 -2.354 1.00 10.35 H new ATOM 0 HB3 GLN A 42 -23.109 7.907 -1.866 1.00 10.35 H new ATOM 0 HG2 GLN A 42 -23.404 9.818 -0.239 1.00 25.05 H new ATOM 0 HG3 GLN A 42 -21.908 10.516 -0.827 1.00 25.05 H new ATOM 0 HE21 GLN A 42 -23.095 12.430 -1.571 1.00 2.33 H new ATOM 0 HE22 GLN A 42 -24.055 12.355 -3.052 1.00 2.33 H new ATOM 651 N THR A 43 -20.468 5.805 -1.394 1.00 64.23 N ATOM 652 CA THR A 43 -20.352 4.375 -1.686 1.00 11.43 C ATOM 653 C THR A 43 -19.759 3.623 -0.488 1.00 61.43 C ATOM 654 O THR A 43 -19.992 2.420 -0.331 1.00 73.31 O ATOM 655 CB THR A 43 -19.566 4.144 -2.985 1.00 62.10 C ATOM 656 OG1 THR A 43 -18.211 4.513 -2.872 1.00 34.25 O ATOM 657 CG2 THR A 43 -20.167 4.944 -4.149 1.00 11.44 C ATOM 0 H THR A 43 -19.716 6.384 -1.767 1.00 64.23 H new ATOM 0 HA THR A 43 -21.349 3.966 -1.850 1.00 11.43 H new ATOM 0 HB THR A 43 -19.633 3.073 -3.177 1.00 62.10 H new ATOM 0 HG1 THR A 43 -17.754 4.346 -3.723 1.00 34.25 H new ATOM 0 HG21 THR A 43 -19.589 4.759 -5.054 1.00 11.44 H new ATOM 0 HG22 THR A 43 -21.200 4.634 -4.309 1.00 11.44 H new ATOM 0 HG23 THR A 43 -20.140 6.008 -3.912 1.00 11.44 H new ATOM 665 N GLN A 44 -19.055 4.353 0.387 1.00 33.32 N ATOM 666 CA GLN A 44 -18.313 3.858 1.535 1.00 5.21 C ATOM 667 C GLN A 44 -17.262 2.813 1.114 1.00 24.12 C ATOM 668 O GLN A 44 -17.163 1.768 1.752 1.00 54.12 O ATOM 669 CB GLN A 44 -19.268 3.363 2.645 1.00 51.10 C ATOM 670 CG GLN A 44 -20.100 4.473 3.308 1.00 41.44 C ATOM 671 CD GLN A 44 -19.334 5.283 4.350 1.00 14.32 C ATOM 672 OE1 GLN A 44 -18.578 4.748 5.160 1.00 51.24 O ATOM 673 NE2 GLN A 44 -19.483 6.595 4.369 1.00 1.52 N ATOM 0 H GLN A 44 -18.990 5.367 0.299 1.00 33.32 H new ATOM 0 HA GLN A 44 -17.752 4.686 1.969 1.00 5.21 H new ATOM 0 HB2 GLN A 44 -19.946 2.622 2.221 1.00 51.10 H new ATOM 0 HB3 GLN A 44 -18.682 2.857 3.412 1.00 51.10 H new ATOM 0 HG2 GLN A 44 -20.467 5.149 2.535 1.00 41.44 H new ATOM 0 HG3 GLN A 44 -20.974 4.025 3.781 1.00 41.44 H new ATOM 0 HE21 GLN A 44 -20.108 7.047 3.701 1.00 1.52 H new ATOM 0 HE22 GLN A 44 -18.973 7.156 5.051 1.00 1.52 H new ATOM 682 N LEU A 45 -16.488 3.047 0.040 1.00 41.41 N ATOM 683 CA LEU A 45 -15.422 2.126 -0.397 1.00 12.12 C ATOM 684 C LEU A 45 -14.173 2.897 -0.807 1.00 63.10 C ATOM 685 O LEU A 45 -14.273 4.070 -1.155 1.00 3.45 O ATOM 686 CB LEU A 45 -15.859 1.292 -1.607 1.00 55.53 C ATOM 687 CG LEU A 45 -17.234 0.625 -1.466 1.00 32.13 C ATOM 688 CD1 LEU A 45 -17.742 0.344 -2.871 1.00 32.21 C ATOM 689 CD2 LEU A 45 -17.218 -0.601 -0.549 1.00 54.12 C ATOM 0 H LEU A 45 -16.582 3.875 -0.548 1.00 41.41 H new ATOM 0 HA LEU A 45 -15.213 1.474 0.451 1.00 12.12 H new ATOM 0 HB2 LEU A 45 -15.871 1.934 -2.488 1.00 55.53 H new ATOM 0 HB3 LEU A 45 -15.112 0.519 -1.786 1.00 55.53 H new ATOM 0 HG LEU A 45 -17.929 1.294 -0.959 1.00 32.13 H new ATOM 0 HD11 LEU A 45 -18.721 -0.132 -2.816 1.00 32.21 H new ATOM 0 HD12 LEU A 45 -17.825 1.281 -3.422 1.00 32.21 H new ATOM 0 HD13 LEU A 45 -17.045 -0.319 -3.384 1.00 32.21 H new ATOM 0 HD21 LEU A 45 -18.220 -1.026 -0.492 1.00 54.12 H new ATOM 0 HD22 LEU A 45 -16.530 -1.346 -0.949 1.00 54.12 H new ATOM 0 HD23 LEU A 45 -16.892 -0.305 0.448 1.00 54.12 H new ATOM 701 N ASN A 46 -13.017 2.234 -0.828 1.00 61.24 N ATOM 702 CA ASN A 46 -11.721 2.805 -1.217 1.00 51.40 C ATOM 703 C ASN A 46 -11.760 3.395 -2.628 1.00 30.31 C ATOM 704 O ASN A 46 -12.596 3.033 -3.462 1.00 33.31 O ATOM 705 CB ASN A 46 -10.572 1.776 -1.160 1.00 42.52 C ATOM 706 CG ASN A 46 -10.520 0.990 0.123 1.00 21.05 C ATOM 707 OD1 ASN A 46 -10.615 1.554 1.203 1.00 11.24 O ATOM 708 ND2 ASN A 46 -10.361 -0.311 0.025 1.00 12.24 N ATOM 0 H ASN A 46 -12.951 1.250 -0.566 1.00 61.24 H new ATOM 0 HA ASN A 46 -11.529 3.592 -0.488 1.00 51.40 H new ATOM 0 HB2 ASN A 46 -10.676 1.083 -1.995 1.00 42.52 H new ATOM 0 HB3 ASN A 46 -9.624 2.297 -1.294 1.00 42.52 H new ATOM 0 HD21 ASN A 46 -10.313 -0.884 0.868 1.00 12.24 H new ATOM 0 HD22 ASN A 46 -10.285 -0.748 -0.894 1.00 12.24 H new ATOM 715 N ARG A 47 -10.782 4.236 -2.957 1.00 50.21 N ATOM 716 CA ARG A 47 -10.544 4.666 -4.340 1.00 3.11 C ATOM 717 C ARG A 47 -9.903 3.548 -5.183 1.00 4.34 C ATOM 718 O ARG A 47 -9.826 3.706 -6.402 1.00 31.32 O ATOM 719 CB ARG A 47 -9.689 5.939 -4.389 1.00 51.41 C ATOM 720 CG ARG A 47 -10.360 7.182 -3.758 1.00 34.04 C ATOM 721 CD ARG A 47 -11.068 8.196 -4.674 1.00 70.13 C ATOM 722 NE ARG A 47 -11.648 7.633 -5.911 1.00 41.52 N ATOM 723 CZ ARG A 47 -12.016 8.324 -7.002 1.00 1.41 C ATOM 724 NH1 ARG A 47 -11.862 9.643 -7.090 1.00 53.50 N ATOM 725 NH2 ARG A 47 -12.539 7.662 -8.025 1.00 12.35 N ATOM 0 H ARG A 47 -10.134 4.639 -2.280 1.00 50.21 H new ATOM 0 HA ARG A 47 -11.517 4.893 -4.775 1.00 3.11 H new ATOM 0 HB2 ARG A 47 -8.747 5.749 -3.875 1.00 51.41 H new ATOM 0 HB3 ARG A 47 -9.447 6.160 -5.428 1.00 51.41 H new ATOM 0 HG2 ARG A 47 -11.092 6.827 -3.032 1.00 34.04 H new ATOM 0 HG3 ARG A 47 -9.594 7.721 -3.201 1.00 34.04 H new ATOM 0 HD2 ARG A 47 -11.863 8.679 -4.107 1.00 70.13 H new ATOM 0 HD3 ARG A 47 -10.354 8.973 -4.948 1.00 70.13 H new ATOM 0 HE ARG A 47 -11.782 6.622 -5.939 1.00 41.52 H new ATOM 0 HH11 ARG A 47 -11.453 10.162 -6.313 1.00 53.50 H new ATOM 0 HH12 ARG A 47 -12.153 10.135 -7.935 1.00 53.50 H new ATOM 0 HH21 ARG A 47 -12.654 6.650 -7.972 1.00 12.35 H new ATOM 0 HH22 ARG A 47 -12.826 8.165 -8.865 1.00 12.35 H new ATOM 739 N GLY A 48 -9.371 2.481 -4.581 1.00 20.02 N ATOM 740 CA GLY A 48 -8.773 1.369 -5.327 1.00 12.41 C ATOM 741 C GLY A 48 -7.243 1.359 -5.320 1.00 52.41 C ATOM 742 O GLY A 48 -6.655 0.333 -5.665 1.00 73.04 O ATOM 0 H GLY A 48 -9.342 2.363 -3.568 1.00 20.02 H new ATOM 0 HA2 GLY A 48 -9.133 0.430 -4.907 1.00 12.41 H new ATOM 0 HA3 GLY A 48 -9.120 1.411 -6.359 1.00 12.41 H new ATOM 746 N PHE A 49 -6.579 2.450 -4.924 1.00 60.01 N ATOM 747 CA PHE A 49 -5.139 2.490 -4.656 1.00 62.04 C ATOM 748 C PHE A 49 -4.900 3.103 -3.273 1.00 10.30 C ATOM 749 O PHE A 49 -5.807 3.711 -2.694 1.00 10.52 O ATOM 750 CB PHE A 49 -4.372 3.184 -5.798 1.00 62.45 C ATOM 751 CG PHE A 49 -4.950 4.490 -6.296 1.00 64.43 C ATOM 752 CD1 PHE A 49 -4.888 5.639 -5.490 1.00 11.15 C ATOM 753 CD2 PHE A 49 -5.535 4.562 -7.576 1.00 3.11 C ATOM 754 CE1 PHE A 49 -5.463 6.837 -5.939 1.00 14.25 C ATOM 755 CE2 PHE A 49 -6.119 5.764 -8.015 1.00 64.12 C ATOM 756 CZ PHE A 49 -6.115 6.891 -7.176 1.00 42.23 C ATOM 0 H PHE A 49 -7.038 3.349 -4.778 1.00 60.01 H new ATOM 0 HA PHE A 49 -4.735 1.478 -4.630 1.00 62.04 H new ATOM 0 HB2 PHE A 49 -3.351 3.367 -5.463 1.00 62.45 H new ATOM 0 HB3 PHE A 49 -4.312 2.493 -6.639 1.00 62.45 H new ATOM 0 HD1 PHE A 49 -4.399 5.600 -4.528 1.00 11.15 H new ATOM 0 HD2 PHE A 49 -5.535 3.695 -8.220 1.00 3.11 H new ATOM 0 HE1 PHE A 49 -5.402 7.724 -5.326 1.00 14.25 H new ATOM 0 HE2 PHE A 49 -6.570 5.820 -8.995 1.00 64.12 H new ATOM 0 HZ PHE A 49 -6.614 7.797 -7.485 1.00 42.23 H new ATOM 766 N ALA A 50 -3.701 2.924 -2.715 1.00 61.13 N ATOM 767 CA ALA A 50 -3.361 3.282 -1.339 1.00 64.01 C ATOM 768 C ALA A 50 -1.899 3.721 -1.248 1.00 50.34 C ATOM 769 O ALA A 50 -1.097 3.323 -2.087 1.00 64.44 O ATOM 770 CB ALA A 50 -3.618 2.071 -0.444 1.00 63.33 C ATOM 0 H ALA A 50 -2.918 2.514 -3.224 1.00 61.13 H new ATOM 0 HA ALA A 50 -3.979 4.117 -1.010 1.00 64.01 H new ATOM 0 HB1 ALA A 50 -3.369 2.321 0.587 1.00 63.33 H new ATOM 0 HB2 ALA A 50 -4.669 1.790 -0.506 1.00 63.33 H new ATOM 0 HB3 ALA A 50 -2.999 1.237 -0.774 1.00 63.33 H new ATOM 776 N PHE A 51 -1.548 4.503 -0.226 1.00 12.13 N ATOM 777 CA PHE A 51 -0.363 5.355 -0.208 1.00 25.34 C ATOM 778 C PHE A 51 0.450 5.148 1.067 1.00 61.35 C ATOM 779 O PHE A 51 0.103 5.746 2.085 1.00 30.12 O ATOM 780 CB PHE A 51 -0.830 6.819 -0.287 1.00 64.25 C ATOM 781 CG PHE A 51 -1.518 7.197 -1.575 1.00 11.22 C ATOM 782 CD1 PHE A 51 -0.806 7.102 -2.777 1.00 63.35 C ATOM 783 CD2 PHE A 51 -2.843 7.670 -1.577 1.00 34.11 C ATOM 784 CE1 PHE A 51 -1.414 7.455 -3.987 1.00 50.55 C ATOM 785 CE2 PHE A 51 -3.444 8.059 -2.786 1.00 73.10 C ATOM 786 CZ PHE A 51 -2.729 7.952 -3.993 1.00 65.02 C ATOM 0 H PHE A 51 -2.095 4.561 0.633 1.00 12.13 H new ATOM 0 HA PHE A 51 0.276 5.101 -1.054 1.00 25.34 H new ATOM 0 HB2 PHE A 51 -1.510 7.013 0.542 1.00 64.25 H new ATOM 0 HB3 PHE A 51 0.034 7.469 -0.149 1.00 64.25 H new ATOM 0 HD1 PHE A 51 0.217 6.755 -2.770 1.00 63.35 H new ATOM 0 HD2 PHE A 51 -3.397 7.734 -0.652 1.00 34.11 H new ATOM 0 HE1 PHE A 51 -0.873 7.346 -4.916 1.00 50.55 H new ATOM 0 HE2 PHE A 51 -4.455 8.440 -2.789 1.00 73.10 H new ATOM 0 HZ PHE A 51 -3.190 8.251 -4.923 1.00 65.02 H new ATOM 796 N ILE A 52 1.521 4.352 1.017 1.00 32.30 N ATOM 797 CA ILE A 52 2.498 4.222 2.100 1.00 41.21 C ATOM 798 C ILE A 52 3.449 5.425 2.030 1.00 23.11 C ATOM 799 O ILE A 52 3.859 5.820 0.935 1.00 22.21 O ATOM 800 CB ILE A 52 3.292 2.901 1.970 1.00 34.50 C ATOM 801 CG1 ILE A 52 2.397 1.645 1.906 1.00 65.51 C ATOM 802 CG2 ILE A 52 4.309 2.755 3.114 1.00 50.45 C ATOM 803 CD1 ILE A 52 3.106 0.416 1.324 1.00 71.22 C ATOM 0 H ILE A 52 1.737 3.769 0.208 1.00 32.30 H new ATOM 0 HA ILE A 52 1.983 4.202 3.061 1.00 41.21 H new ATOM 0 HB ILE A 52 3.816 2.967 1.016 1.00 34.50 H new ATOM 0 HG12 ILE A 52 2.044 1.409 2.910 1.00 65.51 H new ATOM 0 HG13 ILE A 52 1.517 1.866 1.302 1.00 65.51 H new ATOM 0 HG21 ILE A 52 4.854 1.818 2.999 1.00 50.45 H new ATOM 0 HG22 ILE A 52 5.011 3.589 3.086 1.00 50.45 H new ATOM 0 HG23 ILE A 52 3.784 2.755 4.069 1.00 50.45 H new ATOM 0 HD11 ILE A 52 2.417 -0.429 1.310 1.00 71.22 H new ATOM 0 HD12 ILE A 52 3.435 0.633 0.308 1.00 71.22 H new ATOM 0 HD13 ILE A 52 3.970 0.169 1.940 1.00 71.22 H new ATOM 815 N GLN A 53 3.797 6.019 3.172 1.00 22.30 N ATOM 816 CA GLN A 53 4.845 7.017 3.352 1.00 72.43 C ATOM 817 C GLN A 53 5.816 6.420 4.364 1.00 10.14 C ATOM 818 O GLN A 53 5.408 6.130 5.494 1.00 10.43 O ATOM 819 CB GLN A 53 4.276 8.343 3.894 1.00 10.14 C ATOM 820 CG GLN A 53 3.695 9.300 2.843 1.00 1.32 C ATOM 821 CD GLN A 53 2.264 8.944 2.452 1.00 4.11 C ATOM 822 OE1 GLN A 53 2.068 8.015 1.536 1.00 73.55 O flip ATOM 823 NE2 GLN A 53 1.291 9.523 2.921 1.00 62.54 N flip ATOM 0 H GLN A 53 3.324 5.801 4.049 1.00 22.30 H new ATOM 0 HA GLN A 53 5.325 7.247 2.401 1.00 72.43 H new ATOM 0 HB2 GLN A 53 3.495 8.112 4.619 1.00 10.14 H new ATOM 0 HB3 GLN A 53 5.068 8.863 4.433 1.00 10.14 H new ATOM 0 HG2 GLN A 53 3.719 10.318 3.232 1.00 1.32 H new ATOM 0 HG3 GLN A 53 4.325 9.283 1.954 1.00 1.32 H new ATOM 0 HE21 GLN A 53 1.420 10.245 3.630 1.00 62.54 H new ATOM 0 HE22 GLN A 53 0.352 9.283 2.602 1.00 62.54 H new ATOM 832 N LEU A 54 7.072 6.221 3.972 1.00 33.42 N ATOM 833 CA LEU A 54 8.140 5.724 4.836 1.00 2.43 C ATOM 834 C LEU A 54 9.295 6.724 4.811 1.00 64.34 C ATOM 835 O LEU A 54 9.311 7.647 3.993 1.00 62.22 O ATOM 836 CB LEU A 54 8.602 4.326 4.375 1.00 61.54 C ATOM 837 CG LEU A 54 7.740 3.143 4.849 1.00 73.14 C ATOM 838 CD1 LEU A 54 8.278 1.859 4.202 1.00 71.41 C ATOM 839 CD2 LEU A 54 7.763 2.985 6.370 1.00 24.33 C ATOM 0 H LEU A 54 7.384 6.406 3.019 1.00 33.42 H new ATOM 0 HA LEU A 54 7.774 5.624 5.858 1.00 2.43 H new ATOM 0 HB2 LEU A 54 8.631 4.315 3.285 1.00 61.54 H new ATOM 0 HB3 LEU A 54 9.623 4.169 4.723 1.00 61.54 H new ATOM 0 HG LEU A 54 6.708 3.333 4.554 1.00 73.14 H new ATOM 0 HD11 LEU A 54 7.678 1.009 4.527 1.00 71.41 H new ATOM 0 HD12 LEU A 54 8.223 1.948 3.117 1.00 71.41 H new ATOM 0 HD13 LEU A 54 9.315 1.707 4.502 1.00 71.41 H new ATOM 0 HD21 LEU A 54 7.141 2.138 6.657 1.00 24.33 H new ATOM 0 HD22 LEU A 54 8.787 2.813 6.702 1.00 24.33 H new ATOM 0 HD23 LEU A 54 7.378 3.892 6.836 1.00 24.33 H new ATOM 851 N SER A 55 10.254 6.539 5.717 1.00 63.25 N ATOM 852 CA SER A 55 11.463 7.342 5.768 1.00 3.30 C ATOM 853 C SER A 55 12.313 7.112 4.510 1.00 32.24 C ATOM 854 O SER A 55 12.131 6.117 3.810 1.00 23.34 O ATOM 855 CB SER A 55 12.210 6.946 7.038 1.00 33.40 C ATOM 856 OG SER A 55 13.253 7.844 7.338 1.00 50.31 O ATOM 0 H SER A 55 10.208 5.821 6.440 1.00 63.25 H new ATOM 0 HA SER A 55 11.230 8.407 5.792 1.00 3.30 H new ATOM 0 HB2 SER A 55 11.511 6.910 7.874 1.00 33.40 H new ATOM 0 HB3 SER A 55 12.618 5.942 6.920 1.00 33.40 H new ATOM 0 HG SER A 55 13.706 7.557 8.158 1.00 50.31 H new ATOM 862 N THR A 56 13.279 7.997 4.261 1.00 50.45 N ATOM 863 CA THR A 56 14.013 8.111 3.005 1.00 24.10 C ATOM 864 C THR A 56 14.624 6.770 2.581 1.00 22.22 C ATOM 865 O THR A 56 14.245 6.174 1.569 1.00 42.32 O ATOM 866 CB THR A 56 15.062 9.242 3.125 1.00 14.01 C ATOM 867 OG1 THR A 56 15.957 9.023 4.201 1.00 34.32 O ATOM 868 CG2 THR A 56 14.405 10.602 3.390 1.00 33.31 C ATOM 0 H THR A 56 13.581 8.679 4.957 1.00 50.45 H new ATOM 0 HA THR A 56 13.321 8.378 2.206 1.00 24.10 H new ATOM 0 HB THR A 56 15.591 9.241 2.172 1.00 14.01 H new ATOM 0 HG1 THR A 56 16.605 9.757 4.242 1.00 34.32 H new ATOM 0 HG21 THR A 56 15.175 11.369 3.468 1.00 33.31 H new ATOM 0 HG22 THR A 56 13.731 10.847 2.569 1.00 33.31 H new ATOM 0 HG23 THR A 56 13.841 10.558 4.322 1.00 33.31 H new ATOM 876 N ILE A 57 15.599 6.284 3.344 1.00 14.42 N ATOM 877 CA ILE A 57 16.258 5.024 3.055 1.00 31.43 C ATOM 878 C ILE A 57 15.293 3.862 3.276 1.00 14.32 C ATOM 879 O ILE A 57 15.302 2.918 2.493 1.00 71.45 O ATOM 880 CB ILE A 57 17.568 4.922 3.840 1.00 45.13 C ATOM 881 CG1 ILE A 57 18.482 6.124 3.533 1.00 50.23 C ATOM 882 CG2 ILE A 57 18.304 3.609 3.563 1.00 42.22 C ATOM 883 CD1 ILE A 57 18.793 6.394 2.052 1.00 62.34 C ATOM 0 H ILE A 57 15.951 6.755 4.178 1.00 14.42 H new ATOM 0 HA ILE A 57 16.541 4.974 2.004 1.00 31.43 H new ATOM 0 HB ILE A 57 17.309 4.935 4.899 1.00 45.13 H new ATOM 0 HG12 ILE A 57 18.021 7.018 3.952 1.00 50.23 H new ATOM 0 HG13 ILE A 57 19.426 5.976 4.058 1.00 50.23 H new ATOM 0 HG21 ILE A 57 19.228 3.581 4.141 1.00 42.22 H new ATOM 0 HG22 ILE A 57 17.671 2.769 3.849 1.00 42.22 H new ATOM 0 HG23 ILE A 57 18.539 3.541 2.501 1.00 42.22 H new ATOM 0 HD11 ILE A 57 19.444 7.264 1.970 1.00 62.34 H new ATOM 0 HD12 ILE A 57 19.291 5.526 1.621 1.00 62.34 H new ATOM 0 HD13 ILE A 57 17.864 6.584 1.514 1.00 62.34 H new ATOM 895 N GLU A 58 14.448 3.942 4.303 1.00 71.34 N ATOM 896 CA GLU A 58 13.562 2.863 4.728 1.00 25.11 C ATOM 897 C GLU A 58 12.639 2.437 3.591 1.00 24.22 C ATOM 898 O GLU A 58 12.557 1.254 3.263 1.00 50.44 O ATOM 899 CB GLU A 58 12.753 3.282 5.958 1.00 21.52 C ATOM 900 CG GLU A 58 13.663 3.724 7.110 1.00 74.55 C ATOM 901 CD GLU A 58 14.564 2.608 7.625 1.00 54.43 C ATOM 902 OE1 GLU A 58 15.732 2.581 7.179 1.00 54.41 O ATOM 903 OE2 GLU A 58 14.081 1.822 8.478 1.00 63.51 O ATOM 0 H GLU A 58 14.360 4.781 4.876 1.00 71.34 H new ATOM 0 HA GLU A 58 14.177 2.006 5.000 1.00 25.11 H new ATOM 0 HB2 GLU A 58 12.081 4.098 5.691 1.00 21.52 H new ATOM 0 HB3 GLU A 58 12.130 2.450 6.285 1.00 21.52 H new ATOM 0 HG2 GLU A 58 14.282 4.557 6.777 1.00 74.55 H new ATOM 0 HG3 GLU A 58 13.047 4.093 7.930 1.00 74.55 H new ATOM 910 N ALA A 59 11.995 3.418 2.958 1.00 4.20 N ATOM 911 CA ALA A 59 11.125 3.239 1.812 1.00 22.13 C ATOM 912 C ALA A 59 11.845 2.464 0.712 1.00 71.14 C ATOM 913 O ALA A 59 11.316 1.471 0.204 1.00 52.33 O ATOM 914 CB ALA A 59 10.689 4.615 1.294 1.00 72.43 C ATOM 0 H ALA A 59 12.073 4.393 3.246 1.00 4.20 H new ATOM 0 HA ALA A 59 10.247 2.667 2.111 1.00 22.13 H new ATOM 0 HB1 ALA A 59 10.034 4.488 0.432 1.00 72.43 H new ATOM 0 HB2 ALA A 59 10.154 5.147 2.081 1.00 72.43 H new ATOM 0 HB3 ALA A 59 11.568 5.189 1.001 1.00 72.43 H new ATOM 920 N ALA A 60 13.023 2.946 0.305 1.00 34.12 N ATOM 921 CA ALA A 60 13.784 2.357 -0.784 1.00 25.50 C ATOM 922 C ALA A 60 14.239 0.942 -0.418 1.00 71.44 C ATOM 923 O ALA A 60 14.164 0.040 -1.254 1.00 43.43 O ATOM 924 CB ALA A 60 14.982 3.251 -1.124 1.00 10.41 C ATOM 0 H ALA A 60 13.471 3.759 0.728 1.00 34.12 H new ATOM 0 HA ALA A 60 13.146 2.283 -1.665 1.00 25.50 H new ATOM 0 HB1 ALA A 60 15.549 2.805 -1.941 1.00 10.41 H new ATOM 0 HB2 ALA A 60 14.627 4.237 -1.425 1.00 10.41 H new ATOM 0 HB3 ALA A 60 15.623 3.348 -0.248 1.00 10.41 H new ATOM 930 N GLN A 61 14.733 0.742 0.807 1.00 51.15 N ATOM 931 CA GLN A 61 15.204 -0.547 1.289 1.00 22.20 C ATOM 932 C GLN A 61 14.085 -1.569 1.237 1.00 54.23 C ATOM 933 O GLN A 61 14.262 -2.611 0.607 1.00 64.14 O ATOM 934 CB GLN A 61 15.744 -0.451 2.726 1.00 14.11 C ATOM 935 CG GLN A 61 17.139 0.167 2.772 1.00 43.02 C ATOM 936 CD GLN A 61 17.781 0.036 4.151 1.00 22.41 C ATOM 937 OE1 GLN A 61 18.873 -0.524 4.248 1.00 33.13 O ATOM 938 NE2 GLN A 61 17.183 0.538 5.221 1.00 45.41 N ATOM 0 H GLN A 61 14.816 1.487 1.498 1.00 51.15 H new ATOM 0 HA GLN A 61 16.019 -0.862 0.637 1.00 22.20 H new ATOM 0 HB2 GLN A 61 15.062 0.147 3.330 1.00 14.11 H new ATOM 0 HB3 GLN A 61 15.773 -1.446 3.170 1.00 14.11 H new ATOM 0 HG2 GLN A 61 17.774 -0.317 2.030 1.00 43.02 H new ATOM 0 HG3 GLN A 61 17.077 1.221 2.500 1.00 43.02 H new ATOM 0 HE21 GLN A 61 16.278 1.000 5.130 1.00 45.41 H new ATOM 0 HE22 GLN A 61 17.627 0.462 6.136 1.00 45.41 H new ATOM 947 N LEU A 62 12.964 -1.268 1.896 1.00 75.23 N ATOM 948 CA LEU A 62 11.816 -2.151 2.003 1.00 40.33 C ATOM 949 C LEU A 62 11.369 -2.564 0.609 1.00 15.43 C ATOM 950 O LEU A 62 11.255 -3.756 0.329 1.00 44.02 O ATOM 951 CB LEU A 62 10.711 -1.451 2.819 1.00 12.43 C ATOM 952 CG LEU A 62 9.412 -2.250 3.040 1.00 31.21 C ATOM 953 CD1 LEU A 62 8.411 -2.126 1.886 1.00 24.54 C ATOM 954 CD2 LEU A 62 9.671 -3.717 3.409 1.00 4.04 C ATOM 0 H LEU A 62 12.833 -0.380 2.380 1.00 75.23 H new ATOM 0 HA LEU A 62 12.071 -3.067 2.537 1.00 40.33 H new ATOM 0 HB2 LEU A 62 11.121 -1.189 3.794 1.00 12.43 H new ATOM 0 HB3 LEU A 62 10.456 -0.517 2.318 1.00 12.43 H new ATOM 0 HG LEU A 62 8.940 -1.781 3.903 1.00 31.21 H new ATOM 0 HD11 LEU A 62 7.521 -2.714 2.111 1.00 24.54 H new ATOM 0 HD12 LEU A 62 8.131 -1.080 1.758 1.00 24.54 H new ATOM 0 HD13 LEU A 62 8.867 -2.495 0.967 1.00 24.54 H new ATOM 0 HD21 LEU A 62 8.720 -4.230 3.552 1.00 4.04 H new ATOM 0 HD22 LEU A 62 10.227 -4.201 2.606 1.00 4.04 H new ATOM 0 HD23 LEU A 62 10.251 -3.763 4.331 1.00 4.04 H new ATOM 966 N LEU A 63 11.155 -1.583 -0.270 1.00 73.13 N ATOM 967 CA LEU A 63 10.661 -1.803 -1.619 1.00 62.33 C ATOM 968 C LEU A 63 11.486 -2.880 -2.326 1.00 64.54 C ATOM 969 O LEU A 63 10.924 -3.864 -2.806 1.00 42.02 O ATOM 970 CB LEU A 63 10.704 -0.469 -2.374 1.00 21.14 C ATOM 971 CG LEU A 63 10.206 -0.563 -3.829 1.00 73.14 C ATOM 972 CD1 LEU A 63 8.767 -0.047 -3.950 1.00 1.11 C ATOM 973 CD2 LEU A 63 11.147 0.228 -4.741 1.00 71.25 C ATOM 0 H LEU A 63 11.325 -0.600 -0.055 1.00 73.13 H new ATOM 0 HA LEU A 63 9.633 -2.163 -1.589 1.00 62.33 H new ATOM 0 HB2 LEU A 63 10.097 0.261 -1.838 1.00 21.14 H new ATOM 0 HB3 LEU A 63 11.728 -0.094 -2.373 1.00 21.14 H new ATOM 0 HG LEU A 63 10.206 -1.608 -4.137 1.00 73.14 H new ATOM 0 HD11 LEU A 63 8.439 -0.124 -4.987 1.00 1.11 H new ATOM 0 HD12 LEU A 63 8.112 -0.645 -3.317 1.00 1.11 H new ATOM 0 HD13 LEU A 63 8.726 0.995 -3.633 1.00 1.11 H new ATOM 0 HD21 LEU A 63 10.796 0.162 -5.771 1.00 71.25 H new ATOM 0 HD22 LEU A 63 11.163 1.272 -4.429 1.00 71.25 H new ATOM 0 HD23 LEU A 63 12.153 -0.187 -4.673 1.00 71.25 H new ATOM 985 N GLN A 64 12.812 -2.720 -2.365 1.00 31.34 N ATOM 986 CA GLN A 64 13.679 -3.601 -3.143 1.00 13.02 C ATOM 987 C GLN A 64 13.654 -5.053 -2.637 1.00 64.22 C ATOM 988 O GLN A 64 13.985 -5.973 -3.383 1.00 14.41 O ATOM 989 CB GLN A 64 15.118 -3.062 -3.080 1.00 31.54 C ATOM 990 CG GLN A 64 15.318 -1.807 -3.902 1.00 53.01 C ATOM 991 CD GLN A 64 16.635 -1.094 -3.592 1.00 32.10 C ATOM 992 OE1 GLN A 64 17.686 -1.361 -4.170 1.00 52.15 O ATOM 993 NE2 GLN A 64 16.618 -0.182 -2.635 1.00 1.43 N ATOM 0 H GLN A 64 13.308 -1.983 -1.863 1.00 31.34 H new ATOM 0 HA GLN A 64 13.309 -3.612 -4.168 1.00 13.02 H new ATOM 0 HB2 GLN A 64 15.377 -2.854 -2.042 1.00 31.54 H new ATOM 0 HB3 GLN A 64 15.804 -3.833 -3.431 1.00 31.54 H new ATOM 0 HG2 GLN A 64 15.291 -2.065 -4.961 1.00 53.01 H new ATOM 0 HG3 GLN A 64 14.489 -1.123 -3.719 1.00 53.01 H new ATOM 0 HE21 GLN A 64 15.745 0.039 -2.156 1.00 1.43 H new ATOM 0 HE22 GLN A 64 17.478 0.301 -2.376 1.00 1.43 H new ATOM 1002 N ILE A 65 13.300 -5.286 -1.373 1.00 34.54 N ATOM 1003 CA ILE A 65 13.117 -6.629 -0.814 1.00 62.35 C ATOM 1004 C ILE A 65 11.899 -7.269 -1.503 1.00 12.31 C ATOM 1005 O ILE A 65 12.027 -8.287 -2.188 1.00 24.24 O ATOM 1006 CB ILE A 65 13.049 -6.577 0.740 1.00 44.25 C ATOM 1007 CG1 ILE A 65 14.294 -5.895 1.357 1.00 15.14 C ATOM 1008 CG2 ILE A 65 12.887 -7.963 1.379 1.00 42.02 C ATOM 1009 CD1 ILE A 65 14.065 -5.437 2.806 1.00 75.23 C ATOM 0 H ILE A 65 13.130 -4.540 -0.699 1.00 34.54 H new ATOM 0 HA ILE A 65 13.973 -7.272 -1.018 1.00 62.35 H new ATOM 0 HB ILE A 65 12.161 -5.984 0.959 1.00 44.25 H new ATOM 0 HG12 ILE A 65 15.134 -6.589 1.328 1.00 15.14 H new ATOM 0 HG13 ILE A 65 14.570 -5.034 0.748 1.00 15.14 H new ATOM 0 HG21 ILE A 65 12.846 -7.861 2.463 1.00 42.02 H new ATOM 0 HG22 ILE A 65 11.965 -8.423 1.022 1.00 42.02 H new ATOM 0 HG23 ILE A 65 13.735 -8.591 1.106 1.00 42.02 H new ATOM 0 HD11 ILE A 65 14.972 -4.966 3.186 1.00 75.23 H new ATOM 0 HD12 ILE A 65 13.244 -4.721 2.836 1.00 75.23 H new ATOM 0 HD13 ILE A 65 13.817 -6.299 3.425 1.00 75.23 H new ATOM 1021 N LEU A 66 10.716 -6.655 -1.385 1.00 54.03 N ATOM 1022 CA LEU A 66 9.470 -7.164 -1.968 1.00 24.10 C ATOM 1023 C LEU A 66 9.540 -7.292 -3.497 1.00 15.22 C ATOM 1024 O LEU A 66 8.771 -8.064 -4.069 1.00 2.03 O ATOM 1025 CB LEU A 66 8.273 -6.267 -1.601 1.00 20.31 C ATOM 1026 CG LEU A 66 7.770 -6.300 -0.146 1.00 52.41 C ATOM 1027 CD1 LEU A 66 7.500 -7.693 0.418 1.00 12.04 C ATOM 1028 CD2 LEU A 66 8.687 -5.583 0.827 1.00 3.44 C ATOM 0 H LEU A 66 10.596 -5.780 -0.875 1.00 54.03 H new ATOM 0 HA LEU A 66 9.331 -8.159 -1.545 1.00 24.10 H new ATOM 0 HB2 LEU A 66 8.540 -5.238 -1.840 1.00 20.31 H new ATOM 0 HB3 LEU A 66 7.440 -6.538 -2.249 1.00 20.31 H new ATOM 0 HG LEU A 66 6.820 -5.773 -0.229 1.00 52.41 H new ATOM 0 HD11 LEU A 66 7.150 -7.607 1.447 1.00 12.04 H new ATOM 0 HD12 LEU A 66 6.738 -8.188 -0.184 1.00 12.04 H new ATOM 0 HD13 LEU A 66 8.419 -8.279 0.395 1.00 12.04 H new ATOM 0 HD21 LEU A 66 8.271 -5.646 1.833 1.00 3.44 H new ATOM 0 HD22 LEU A 66 9.671 -6.051 0.811 1.00 3.44 H new ATOM 0 HD23 LEU A 66 8.778 -4.536 0.537 1.00 3.44 H new ATOM 1040 N GLN A 67 10.430 -6.552 -4.163 1.00 61.35 N ATOM 1041 CA GLN A 67 10.637 -6.589 -5.614 1.00 13.23 C ATOM 1042 C GLN A 67 11.595 -7.699 -6.061 1.00 52.05 C ATOM 1043 O GLN A 67 12.063 -7.701 -7.203 1.00 63.42 O ATOM 1044 CB GLN A 67 11.153 -5.220 -6.069 1.00 62.14 C ATOM 1045 CG GLN A 67 10.042 -4.170 -5.980 1.00 60.34 C ATOM 1046 CD GLN A 67 10.471 -2.822 -6.547 1.00 42.35 C ATOM 1047 OE1 GLN A 67 11.650 -2.517 -6.709 1.00 71.44 O ATOM 1048 NE2 GLN A 67 9.519 -1.981 -6.877 1.00 13.14 N ATOM 0 H GLN A 67 11.046 -5.889 -3.693 1.00 61.35 H new ATOM 0 HA GLN A 67 9.679 -6.816 -6.082 1.00 13.23 H new ATOM 0 HB2 GLN A 67 11.997 -4.918 -5.448 1.00 62.14 H new ATOM 0 HB3 GLN A 67 11.518 -5.285 -7.094 1.00 62.14 H new ATOM 0 HG2 GLN A 67 9.165 -4.526 -6.520 1.00 60.34 H new ATOM 0 HG3 GLN A 67 9.746 -4.046 -4.938 1.00 60.34 H new ATOM 0 HE21 GLN A 67 8.541 -2.238 -6.741 1.00 13.14 H new ATOM 0 HE22 GLN A 67 9.757 -1.070 -7.270 1.00 13.14 H new ATOM 1057 N ALA A 68 11.886 -8.652 -5.188 1.00 64.45 N ATOM 1058 CA ALA A 68 12.808 -9.744 -5.460 1.00 21.43 C ATOM 1059 C ALA A 68 12.238 -11.093 -5.032 1.00 52.12 C ATOM 1060 O ALA A 68 12.350 -12.075 -5.774 1.00 13.44 O ATOM 1061 CB ALA A 68 14.125 -9.456 -4.745 1.00 42.14 C ATOM 0 H ALA A 68 11.480 -8.688 -4.253 1.00 64.45 H new ATOM 0 HA ALA A 68 12.974 -9.807 -6.535 1.00 21.43 H new ATOM 0 HB1 ALA A 68 14.829 -10.266 -4.938 1.00 42.14 H new ATOM 0 HB2 ALA A 68 14.541 -8.518 -5.113 1.00 42.14 H new ATOM 0 HB3 ALA A 68 13.947 -9.378 -3.672 1.00 42.14 H new ATOM 1067 N LEU A 69 11.621 -11.145 -3.852 1.00 12.22 N ATOM 1068 CA LEU A 69 10.984 -12.333 -3.285 1.00 1.04 C ATOM 1069 C LEU A 69 9.616 -12.630 -3.922 1.00 1.14 C ATOM 1070 O LEU A 69 9.280 -12.123 -4.996 1.00 0.31 O ATOM 1071 CB LEU A 69 10.944 -12.198 -1.753 1.00 44.31 C ATOM 1072 CG LEU A 69 10.124 -11.004 -1.226 1.00 33.14 C ATOM 1073 CD1 LEU A 69 8.740 -11.403 -0.716 1.00 44.22 C ATOM 1074 CD2 LEU A 69 10.855 -10.355 -0.059 1.00 20.20 C ATOM 0 H LEU A 69 11.548 -10.331 -3.242 1.00 12.22 H new ATOM 0 HA LEU A 69 11.581 -13.213 -3.526 1.00 1.04 H new ATOM 0 HB2 LEU A 69 10.533 -13.116 -1.333 1.00 44.31 H new ATOM 0 HB3 LEU A 69 11.966 -12.109 -1.384 1.00 44.31 H new ATOM 0 HG LEU A 69 10.005 -10.325 -2.071 1.00 33.14 H new ATOM 0 HD11 LEU A 69 8.214 -10.517 -0.359 1.00 44.22 H new ATOM 0 HD12 LEU A 69 8.172 -11.861 -1.526 1.00 44.22 H new ATOM 0 HD13 LEU A 69 8.845 -12.116 0.101 1.00 44.22 H new ATOM 0 HD21 LEU A 69 10.273 -9.511 0.311 1.00 20.20 H new ATOM 0 HD22 LEU A 69 10.985 -11.085 0.740 1.00 20.20 H new ATOM 0 HD23 LEU A 69 11.832 -10.004 -0.392 1.00 20.20 H new ATOM 1086 N HIS A 70 8.873 -13.552 -3.308 1.00 53.14 N ATOM 1087 CA HIS A 70 7.568 -14.045 -3.745 1.00 61.22 C ATOM 1088 C HIS A 70 6.544 -12.916 -3.998 1.00 41.13 C ATOM 1089 O HIS A 70 6.662 -11.833 -3.420 1.00 53.31 O ATOM 1090 CB HIS A 70 7.047 -15.024 -2.677 1.00 3.32 C ATOM 1091 CG HIS A 70 7.475 -16.452 -2.905 1.00 53.04 C ATOM 1092 ND1 HIS A 70 6.614 -17.516 -3.045 1.00 12.04 N ATOM 1093 CD2 HIS A 70 8.753 -16.928 -3.051 1.00 21.44 C ATOM 1094 CE1 HIS A 70 7.352 -18.607 -3.286 1.00 63.44 C ATOM 1095 NE2 HIS A 70 8.661 -18.307 -3.265 1.00 34.32 N ATOM 0 H HIS A 70 9.184 -13.999 -2.445 1.00 53.14 H new ATOM 0 HA HIS A 70 7.694 -14.546 -4.705 1.00 61.22 H new ATOM 0 HB2 HIS A 70 7.399 -14.700 -1.697 1.00 3.32 H new ATOM 0 HB3 HIS A 70 5.958 -14.979 -2.656 1.00 3.32 H new ATOM 0 HD2 HIS A 70 9.662 -16.346 -3.009 1.00 21.44 H new ATOM 0 HE1 HIS A 70 6.950 -19.592 -3.472 1.00 63.44 H new ATOM 0 HE2 HIS A 70 9.437 -18.958 -3.382 1.00 34.32 H new ATOM 1103 N PRO A 71 5.505 -13.161 -4.819 1.00 3.22 N ATOM 1104 CA PRO A 71 4.522 -12.148 -5.188 1.00 71.43 C ATOM 1105 C PRO A 71 3.672 -11.702 -3.989 1.00 2.01 C ATOM 1106 O PRO A 71 3.589 -12.427 -2.993 1.00 54.32 O ATOM 1107 CB PRO A 71 3.657 -12.799 -6.275 1.00 33.13 C ATOM 1108 CG PRO A 71 3.788 -14.295 -6.003 1.00 0.14 C ATOM 1109 CD PRO A 71 5.229 -14.403 -5.518 1.00 35.40 C ATOM 0 HA PRO A 71 5.008 -11.240 -5.544 1.00 71.43 H new ATOM 0 HB2 PRO A 71 2.620 -12.471 -6.210 1.00 33.13 H new ATOM 0 HB3 PRO A 71 4.010 -12.542 -7.274 1.00 33.13 H new ATOM 0 HG2 PRO A 71 3.077 -14.637 -5.250 1.00 0.14 H new ATOM 0 HG3 PRO A 71 3.613 -14.890 -6.900 1.00 0.14 H new ATOM 0 HD2 PRO A 71 5.356 -15.260 -4.857 1.00 35.40 H new ATOM 0 HD3 PRO A 71 5.914 -14.541 -6.355 1.00 35.40 H new ATOM 1117 N PRO A 72 3.005 -10.538 -4.079 1.00 72.42 N ATOM 1118 CA PRO A 72 2.235 -9.975 -2.978 1.00 62.41 C ATOM 1119 C PRO A 72 1.049 -10.856 -2.577 1.00 14.33 C ATOM 1120 O PRO A 72 0.358 -11.440 -3.416 1.00 63.01 O ATOM 1121 CB PRO A 72 1.792 -8.581 -3.425 1.00 74.31 C ATOM 1122 CG PRO A 72 1.947 -8.607 -4.938 1.00 72.55 C ATOM 1123 CD PRO A 72 3.062 -9.607 -5.192 1.00 62.11 C ATOM 0 HA PRO A 72 2.848 -9.917 -2.079 1.00 62.41 H new ATOM 0 HB2 PRO A 72 0.761 -8.378 -3.134 1.00 74.31 H new ATOM 0 HB3 PRO A 72 2.409 -7.804 -2.975 1.00 74.31 H new ATOM 0 HG2 PRO A 72 1.022 -8.913 -5.426 1.00 72.55 H new ATOM 0 HG3 PRO A 72 2.202 -7.621 -5.327 1.00 72.55 H new ATOM 0 HD2 PRO A 72 2.920 -10.121 -6.142 1.00 62.11 H new ATOM 0 HD3 PRO A 72 4.031 -9.111 -5.240 1.00 62.11 H new ATOM 1131 N LEU A 73 0.810 -10.916 -1.269 1.00 4.03 N ATOM 1132 CA LEU A 73 -0.193 -11.741 -0.618 1.00 14.23 C ATOM 1133 C LEU A 73 -1.562 -11.082 -0.802 1.00 14.41 C ATOM 1134 O LEU A 73 -1.787 -9.963 -0.332 1.00 40.53 O ATOM 1135 CB LEU A 73 0.202 -11.908 0.868 1.00 72.42 C ATOM 1136 CG LEU A 73 0.000 -13.341 1.387 1.00 33.41 C ATOM 1137 CD1 LEU A 73 0.689 -13.521 2.743 1.00 4.20 C ATOM 1138 CD2 LEU A 73 -1.480 -13.697 1.520 1.00 64.45 C ATOM 0 H LEU A 73 1.343 -10.358 -0.602 1.00 4.03 H new ATOM 0 HA LEU A 73 -0.250 -12.737 -1.057 1.00 14.23 H new ATOM 0 HB2 LEU A 73 1.247 -11.626 0.994 1.00 72.42 H new ATOM 0 HB3 LEU A 73 -0.389 -11.221 1.474 1.00 72.42 H new ATOM 0 HG LEU A 73 0.447 -14.012 0.654 1.00 33.41 H new ATOM 0 HD11 LEU A 73 0.536 -14.541 3.096 1.00 4.20 H new ATOM 0 HD12 LEU A 73 1.757 -13.330 2.637 1.00 4.20 H new ATOM 0 HD13 LEU A 73 0.265 -12.821 3.462 1.00 4.20 H new ATOM 0 HD21 LEU A 73 -1.577 -14.718 1.890 1.00 64.45 H new ATOM 0 HD22 LEU A 73 -1.958 -13.011 2.219 1.00 64.45 H new ATOM 0 HD23 LEU A 73 -1.963 -13.616 0.546 1.00 64.45 H new ATOM 1150 N THR A 74 -2.474 -11.722 -1.538 1.00 34.04 N ATOM 1151 CA THR A 74 -3.843 -11.228 -1.629 1.00 35.42 C ATOM 1152 C THR A 74 -4.589 -11.440 -0.304 1.00 32.24 C ATOM 1153 O THR A 74 -4.224 -12.279 0.524 1.00 61.42 O ATOM 1154 CB THR A 74 -4.592 -11.807 -2.838 1.00 24.24 C ATOM 1155 OG1 THR A 74 -5.849 -11.188 -2.891 1.00 75.41 O ATOM 1156 CG2 THR A 74 -4.797 -13.309 -2.890 1.00 74.22 C ATOM 0 H THR A 74 -2.290 -12.572 -2.072 1.00 34.04 H new ATOM 0 HA THR A 74 -3.799 -10.153 -1.803 1.00 35.42 H new ATOM 0 HB THR A 74 -3.944 -11.602 -3.690 1.00 24.24 H new ATOM 0 HG1 THR A 74 -5.734 -10.226 -3.039 1.00 75.41 H new ATOM 0 HG21 THR A 74 -5.340 -13.571 -3.798 1.00 74.22 H new ATOM 0 HG22 THR A 74 -3.828 -13.809 -2.889 1.00 74.22 H new ATOM 0 HG23 THR A 74 -5.371 -13.628 -2.020 1.00 74.22 H new ATOM 1164 N ILE A 75 -5.661 -10.674 -0.115 1.00 73.31 N ATOM 1165 CA ILE A 75 -6.478 -10.630 1.087 1.00 31.43 C ATOM 1166 C ILE A 75 -7.970 -10.563 0.719 1.00 33.34 C ATOM 1167 O ILE A 75 -8.762 -10.076 1.519 1.00 32.10 O ATOM 1168 CB ILE A 75 -6.069 -9.427 1.991 1.00 54.11 C ATOM 1169 CG1 ILE A 75 -4.637 -8.879 1.838 1.00 61.14 C ATOM 1170 CG2 ILE A 75 -6.244 -9.893 3.443 1.00 55.43 C ATOM 1171 CD1 ILE A 75 -4.413 -7.875 0.703 1.00 12.21 C ATOM 0 H ILE A 75 -5.997 -10.036 -0.836 1.00 73.31 H new ATOM 0 HA ILE A 75 -6.308 -11.545 1.654 1.00 31.43 H new ATOM 0 HB ILE A 75 -6.706 -8.598 1.683 1.00 54.11 H new ATOM 0 HG12 ILE A 75 -4.350 -8.404 2.776 1.00 61.14 H new ATOM 0 HG13 ILE A 75 -3.962 -9.722 1.688 1.00 61.14 H new ATOM 0 HG21 ILE A 75 -5.970 -9.084 4.120 1.00 55.43 H new ATOM 0 HG22 ILE A 75 -7.284 -10.172 3.613 1.00 55.43 H new ATOM 0 HG23 ILE A 75 -5.603 -10.755 3.628 1.00 55.43 H new ATOM 0 HD11 ILE A 75 -3.369 -7.561 0.695 1.00 12.21 H new ATOM 0 HD12 ILE A 75 -4.658 -8.343 -0.250 1.00 12.21 H new ATOM 0 HD13 ILE A 75 -5.052 -7.005 0.855 1.00 12.21 H new ATOM 1183 N ASP A 76 -8.339 -10.876 -0.531 1.00 44.14 N ATOM 1184 CA ASP A 76 -9.719 -10.999 -1.063 1.00 32.43 C ATOM 1185 C ASP A 76 -9.652 -11.332 -2.565 1.00 32.24 C ATOM 1186 O ASP A 76 -10.281 -10.674 -3.390 1.00 4.14 O ATOM 1187 CB ASP A 76 -10.540 -9.708 -0.863 1.00 31.12 C ATOM 1188 CG ASP A 76 -12.056 -9.860 -0.893 1.00 12.11 C ATOM 1189 OD1 ASP A 76 -12.577 -10.717 -0.145 1.00 0.13 O ATOM 1190 OD2 ASP A 76 -12.701 -8.929 -1.441 1.00 24.31 O ATOM 0 H ASP A 76 -7.641 -11.064 -1.251 1.00 44.14 H new ATOM 0 HA ASP A 76 -10.219 -11.795 -0.511 1.00 32.43 H new ATOM 0 HB2 ASP A 76 -10.259 -9.269 0.094 1.00 31.12 H new ATOM 0 HB3 ASP A 76 -10.252 -8.996 -1.637 1.00 31.12 H new ATOM 1195 N GLY A 77 -8.755 -12.236 -2.967 1.00 15.41 N ATOM 1196 CA GLY A 77 -8.552 -12.620 -4.365 1.00 24.42 C ATOM 1197 C GLY A 77 -7.878 -11.566 -5.254 1.00 11.44 C ATOM 1198 O GLY A 77 -7.453 -11.897 -6.360 1.00 55.33 O ATOM 0 H GLY A 77 -8.140 -12.729 -2.320 1.00 15.41 H new ATOM 0 HA2 GLY A 77 -7.949 -13.528 -4.389 1.00 24.42 H new ATOM 0 HA3 GLY A 77 -9.521 -12.869 -4.799 1.00 24.42 H new ATOM 1202 N LYS A 78 -7.771 -10.297 -4.837 1.00 3.24 N ATOM 1203 CA LYS A 78 -7.103 -9.254 -5.606 1.00 71.15 C ATOM 1204 C LYS A 78 -5.604 -9.314 -5.343 1.00 0.10 C ATOM 1205 O LYS A 78 -5.196 -9.047 -4.211 1.00 0.50 O ATOM 1206 CB LYS A 78 -7.710 -7.885 -5.267 1.00 13.52 C ATOM 1207 CG LYS A 78 -8.252 -7.627 -3.845 1.00 13.13 C ATOM 1208 CD LYS A 78 -7.253 -7.730 -2.681 1.00 21.21 C ATOM 1209 CE LYS A 78 -7.640 -6.858 -1.486 1.00 64.04 C ATOM 1210 NZ LYS A 78 -8.561 -7.430 -0.479 1.00 14.23 N ATOM 0 H LYS A 78 -8.151 -9.969 -3.949 1.00 3.24 H new ATOM 0 HA LYS A 78 -7.254 -9.413 -6.674 1.00 71.15 H new ATOM 0 HB2 LYS A 78 -6.949 -7.131 -5.469 1.00 13.52 H new ATOM 0 HB3 LYS A 78 -8.528 -7.708 -5.966 1.00 13.52 H new ATOM 0 HG2 LYS A 78 -8.690 -6.629 -3.827 1.00 13.13 H new ATOM 0 HG3 LYS A 78 -9.061 -8.333 -3.659 1.00 13.13 H new ATOM 0 HD2 LYS A 78 -7.184 -8.769 -2.359 1.00 21.21 H new ATOM 0 HD3 LYS A 78 -6.263 -7.438 -3.032 1.00 21.21 H new ATOM 0 HE2 LYS A 78 -6.723 -6.568 -0.973 1.00 64.04 H new ATOM 0 HE3 LYS A 78 -8.092 -5.944 -1.872 1.00 64.04 H new ATOM 0 HZ1 LYS A 78 -8.499 -6.879 0.401 1.00 14.23 H new ATOM 0 HZ2 LYS A 78 -9.535 -7.397 -0.841 1.00 14.23 H new ATOM 0 HZ3 LYS A 78 -8.296 -8.417 -0.288 1.00 14.23 H new ATOM 1224 N THR A 79 -4.756 -9.729 -6.280 1.00 0.43 N ATOM 1225 CA THR A 79 -3.324 -9.653 -6.013 1.00 3.11 C ATOM 1226 C THR A 79 -2.911 -8.179 -5.966 1.00 31.22 C ATOM 1227 O THR A 79 -3.026 -7.472 -6.969 1.00 22.12 O ATOM 1228 CB THR A 79 -2.477 -10.453 -7.010 1.00 0.32 C ATOM 1229 OG1 THR A 79 -3.219 -11.413 -7.742 1.00 72.05 O ATOM 1230 CG2 THR A 79 -1.384 -11.189 -6.239 1.00 75.43 C ATOM 0 H THR A 79 -5.018 -10.105 -7.191 1.00 0.43 H new ATOM 0 HA THR A 79 -3.132 -10.121 -5.047 1.00 3.11 H new ATOM 0 HB THR A 79 -2.073 -9.738 -7.726 1.00 0.32 H new ATOM 0 HG1 THR A 79 -2.623 -11.886 -8.359 1.00 72.05 H new ATOM 0 HG21 THR A 79 -0.772 -11.763 -6.934 1.00 75.43 H new ATOM 0 HG22 THR A 79 -0.758 -10.466 -5.716 1.00 75.43 H new ATOM 0 HG23 THR A 79 -1.841 -11.864 -5.515 1.00 75.43 H new ATOM 1238 N ILE A 80 -2.491 -7.696 -4.795 1.00 35.12 N ATOM 1239 CA ILE A 80 -2.040 -6.321 -4.610 1.00 74.01 C ATOM 1240 C ILE A 80 -0.845 -6.047 -5.543 1.00 11.32 C ATOM 1241 O ILE A 80 -0.269 -6.948 -6.155 1.00 23.00 O ATOM 1242 CB ILE A 80 -1.800 -6.052 -3.100 1.00 72.05 C ATOM 1243 CG1 ILE A 80 -3.046 -6.355 -2.234 1.00 41.43 C ATOM 1244 CG2 ILE A 80 -1.333 -4.628 -2.760 1.00 74.22 C ATOM 1245 CD1 ILE A 80 -4.266 -5.470 -2.535 1.00 33.31 C ATOM 0 H ILE A 80 -2.455 -8.256 -3.943 1.00 35.12 H new ATOM 0 HA ILE A 80 -2.800 -5.597 -4.904 1.00 74.01 H new ATOM 0 HB ILE A 80 -0.989 -6.741 -2.863 1.00 72.05 H new ATOM 0 HG12 ILE A 80 -3.327 -7.398 -2.377 1.00 41.43 H new ATOM 0 HG13 ILE A 80 -2.779 -6.238 -1.184 1.00 41.43 H new ATOM 0 HG21 ILE A 80 -1.193 -4.539 -1.683 1.00 74.22 H new ATOM 0 HG22 ILE A 80 -0.390 -4.424 -3.267 1.00 74.22 H new ATOM 0 HG23 ILE A 80 -2.085 -3.910 -3.089 1.00 74.22 H new ATOM 0 HD11 ILE A 80 -5.091 -5.753 -1.881 1.00 33.31 H new ATOM 0 HD12 ILE A 80 -4.009 -4.425 -2.363 1.00 33.31 H new ATOM 0 HD13 ILE A 80 -4.565 -5.603 -3.575 1.00 33.31 H new ATOM 1257 N ASN A 81 -0.514 -4.777 -5.718 1.00 52.35 N ATOM 1258 CA ASN A 81 0.523 -4.253 -6.605 1.00 0.22 C ATOM 1259 C ASN A 81 1.445 -3.395 -5.760 1.00 14.11 C ATOM 1260 O ASN A 81 1.021 -2.936 -4.699 1.00 34.40 O ATOM 1261 CB ASN A 81 -0.155 -3.395 -7.682 1.00 14.21 C ATOM 1262 CG ASN A 81 -0.371 -4.125 -8.993 1.00 20.30 C ATOM 1263 OD1 ASN A 81 -0.157 -3.582 -10.074 1.00 1.13 O ATOM 1264 ND2 ASN A 81 -0.880 -5.339 -8.929 1.00 1.11 N ATOM 0 H ASN A 81 -0.993 -4.032 -5.212 1.00 52.35 H new ATOM 0 HA ASN A 81 1.089 -5.051 -7.086 1.00 0.22 H new ATOM 0 HB2 ASN A 81 -1.118 -3.049 -7.306 1.00 14.21 H new ATOM 0 HB3 ASN A 81 0.453 -2.509 -7.865 1.00 14.21 H new ATOM 0 HD21 ASN A 81 -1.103 -5.844 -9.786 1.00 1.11 H new ATOM 0 HD22 ASN A 81 -1.051 -5.773 -8.022 1.00 1.11 H new ATOM 1271 N VAL A 82 2.652 -3.129 -6.244 1.00 61.42 N ATOM 1272 CA VAL A 82 3.626 -2.283 -5.566 1.00 51.42 C ATOM 1273 C VAL A 82 4.095 -1.279 -6.614 1.00 12.31 C ATOM 1274 O VAL A 82 4.259 -1.636 -7.780 1.00 43.35 O ATOM 1275 CB VAL A 82 4.785 -3.134 -4.984 1.00 42.34 C ATOM 1276 CG1 VAL A 82 5.695 -2.290 -4.083 1.00 62.31 C ATOM 1277 CG2 VAL A 82 4.277 -4.327 -4.153 1.00 21.44 C ATOM 0 H VAL A 82 2.987 -3.501 -7.133 1.00 61.42 H new ATOM 0 HA VAL A 82 3.199 -1.763 -4.708 1.00 51.42 H new ATOM 0 HB VAL A 82 5.339 -3.506 -5.846 1.00 42.34 H new ATOM 0 HG11 VAL A 82 6.498 -2.914 -3.690 1.00 62.31 H new ATOM 0 HG12 VAL A 82 6.122 -1.471 -4.662 1.00 62.31 H new ATOM 0 HG13 VAL A 82 5.113 -1.884 -3.256 1.00 62.31 H new ATOM 0 HG21 VAL A 82 5.127 -4.891 -3.768 1.00 21.44 H new ATOM 0 HG22 VAL A 82 3.677 -3.961 -3.320 1.00 21.44 H new ATOM 0 HG23 VAL A 82 3.667 -4.975 -4.782 1.00 21.44 H new ATOM 1287 N GLU A 83 4.343 -0.041 -6.218 1.00 20.31 N ATOM 1288 CA GLU A 83 4.832 1.025 -7.075 1.00 75.31 C ATOM 1289 C GLU A 83 5.816 1.860 -6.285 1.00 73.23 C ATOM 1290 O GLU A 83 5.833 1.831 -5.056 1.00 62.31 O ATOM 1291 CB GLU A 83 3.657 1.913 -7.504 1.00 20.32 C ATOM 1292 CG GLU A 83 3.141 1.608 -8.908 1.00 71.32 C ATOM 1293 CD GLU A 83 3.720 2.643 -9.843 1.00 24.13 C ATOM 1294 OE1 GLU A 83 4.955 2.702 -9.997 1.00 3.32 O ATOM 1295 OE2 GLU A 83 2.926 3.474 -10.348 1.00 44.45 O ATOM 0 H GLU A 83 4.204 0.260 -5.253 1.00 20.31 H new ATOM 0 HA GLU A 83 5.312 0.604 -7.958 1.00 75.31 H new ATOM 0 HB2 GLU A 83 2.841 1.791 -6.792 1.00 20.32 H new ATOM 0 HB3 GLU A 83 3.966 2.957 -7.458 1.00 20.32 H new ATOM 0 HG2 GLU A 83 3.438 0.605 -9.216 1.00 71.32 H new ATOM 0 HG3 GLU A 83 2.052 1.639 -8.930 1.00 71.32 H new ATOM 1302 N PHE A 84 6.573 2.671 -7.006 1.00 43.42 N ATOM 1303 CA PHE A 84 7.656 3.468 -6.461 1.00 23.14 C ATOM 1304 C PHE A 84 7.641 4.824 -7.152 1.00 15.14 C ATOM 1305 O PHE A 84 7.997 4.905 -8.329 1.00 75.51 O ATOM 1306 CB PHE A 84 8.978 2.704 -6.663 1.00 43.14 C ATOM 1307 CG PHE A 84 10.218 3.298 -6.013 1.00 52.12 C ATOM 1308 CD1 PHE A 84 10.151 3.887 -4.736 1.00 33.21 C ATOM 1309 CD2 PHE A 84 11.472 3.167 -6.643 1.00 15.43 C ATOM 1310 CE1 PHE A 84 11.315 4.375 -4.115 1.00 33.41 C ATOM 1311 CE2 PHE A 84 12.639 3.627 -6.009 1.00 43.44 C ATOM 1312 CZ PHE A 84 12.559 4.232 -4.744 1.00 23.50 C ATOM 0 H PHE A 84 6.447 2.795 -8.011 1.00 43.42 H new ATOM 0 HA PHE A 84 7.542 3.640 -5.391 1.00 23.14 H new ATOM 0 HB2 PHE A 84 8.847 1.691 -6.282 1.00 43.14 H new ATOM 0 HB3 PHE A 84 9.162 2.621 -7.734 1.00 43.14 H new ATOM 0 HD1 PHE A 84 9.200 3.965 -4.230 1.00 33.21 H new ATOM 0 HD2 PHE A 84 11.537 2.710 -7.619 1.00 15.43 H new ATOM 0 HE1 PHE A 84 11.250 4.860 -3.152 1.00 33.41 H new ATOM 0 HE2 PHE A 84 13.597 3.515 -6.495 1.00 43.44 H new ATOM 0 HZ PHE A 84 13.455 4.587 -4.257 1.00 23.50 H new ATOM 1322 N ALA A 85 7.180 5.872 -6.459 1.00 34.42 N ATOM 1323 CA ALA A 85 7.052 7.215 -7.025 1.00 23.11 C ATOM 1324 C ALA A 85 7.789 8.218 -6.137 1.00 2.00 C ATOM 1325 O ALA A 85 7.203 9.100 -5.494 1.00 21.13 O ATOM 1326 CB ALA A 85 5.578 7.554 -7.240 1.00 45.25 C ATOM 0 H ALA A 85 6.884 5.809 -5.485 1.00 34.42 H new ATOM 0 HA ALA A 85 7.522 7.263 -8.007 1.00 23.11 H new ATOM 0 HB1 ALA A 85 5.493 8.556 -7.662 1.00 45.25 H new ATOM 0 HB2 ALA A 85 5.135 6.832 -7.926 1.00 45.25 H new ATOM 0 HB3 ALA A 85 5.053 7.516 -6.286 1.00 45.25 H new ATOM 1332 N LYS A 86 9.108 8.057 -6.093 1.00 13.00 N ATOM 1333 CA LYS A 86 10.102 8.854 -5.391 1.00 73.22 C ATOM 1334 C LYS A 86 10.303 10.236 -6.050 1.00 23.51 C ATOM 1335 O LYS A 86 11.428 10.698 -6.209 1.00 45.33 O ATOM 1336 CB LYS A 86 11.397 8.014 -5.348 1.00 53.14 C ATOM 1337 CG LYS A 86 12.200 8.189 -4.059 1.00 41.43 C ATOM 1338 CD LYS A 86 12.683 9.622 -3.818 1.00 11.00 C ATOM 1339 CE LYS A 86 13.694 9.668 -2.686 1.00 44.31 C ATOM 1340 NZ LYS A 86 14.475 10.919 -2.679 1.00 31.51 N ATOM 0 H LYS A 86 9.548 7.288 -6.599 1.00 13.00 H new ATOM 0 HA LYS A 86 9.774 9.081 -4.377 1.00 73.22 H new ATOM 0 HB2 LYS A 86 11.141 6.961 -5.466 1.00 53.14 H new ATOM 0 HB3 LYS A 86 12.025 8.286 -6.197 1.00 53.14 H new ATOM 0 HG2 LYS A 86 11.586 7.876 -3.215 1.00 41.43 H new ATOM 0 HG3 LYS A 86 13.064 7.525 -4.088 1.00 41.43 H new ATOM 0 HD2 LYS A 86 13.133 10.017 -4.729 1.00 11.00 H new ATOM 0 HD3 LYS A 86 11.833 10.261 -3.579 1.00 11.00 H new ATOM 0 HE2 LYS A 86 13.174 9.562 -1.734 1.00 44.31 H new ATOM 0 HE3 LYS A 86 14.373 8.820 -2.774 1.00 44.31 H new ATOM 0 HZ1 LYS A 86 15.151 10.902 -1.889 1.00 31.51 H new ATOM 0 HZ2 LYS A 86 14.994 11.009 -3.576 1.00 31.51 H new ATOM 0 HZ3 LYS A 86 13.832 11.729 -2.568 1.00 31.51 H new