USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 925 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 24 ASN :FLIP amide:sc= -1.06 X(o=-1.7!,f=-1.7) USER MOD Set 1.2: A 29 GLN :FLIP amide:sc= -0.614 F(o=-4.9,f=-1.7) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 ASN :FLIP amide:sc= -2.66 F(o=-6.8!,f=-3.9) USER MOD Set 3.2: A 32 GLN :FLIP amide:sc= -1.28 F(o=-9!,f=-3.9) USER MOD Single : A 3 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.24) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.274 F(o=-1.2,f=-0.27) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0102) USER MOD Single : A 30 THR OG1 : rot -179:sc= 0.591 USER MOD Single : A 35 ASN : amide:sc= -3.44! C(o=-3.4!,f=-3.7!) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.07 F(o=-5.6!,f=-2.1) USER MOD Single : A 44 THR OG1 : rot -25:sc= 0.0867 USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= -1.54! (180deg=-3.59!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -120:sc= -2.38! (180deg=-4.17!) USER MOD Single : A 60 MET CE :methyl -117:sc= -0.0639 (180deg=-0.137) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0.438 (180deg=0.024) USER MOD Single : A 69 MET CE :methyl -121:sc= -1.18 (180deg=-2.59) USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= 0.118 (180deg=-0.0641) USER MOD Single : A 75 ASN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 81 MET CE :methyl -105:sc= -3.47! (180deg=-7.21!) USER MOD Single : A 82 THR OG1 : rot -110:sc= -3.29! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.073 K(o=-0.073,f=-1.3) USER MOD Single : A 93 SER OG : rot 70:sc= 1.26 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= -0.0479 (180deg=-0.0479) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.2) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -140:sc= -0.533 USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 -10.166 6.832 10.745 1.00 0.60 N ATOM 38 CA ASN A 3 -10.419 5.496 10.217 1.00 0.58 C ATOM 39 C ASN A 3 -9.688 5.298 8.897 1.00 0.41 C ATOM 40 O ASN A 3 -9.429 4.174 8.471 1.00 0.47 O ATOM 41 CB ASN A 3 -11.921 5.270 10.036 1.00 0.73 C ATOM 42 CG ASN A 3 -12.678 5.340 11.350 1.00 1.80 C ATOM 43 OD1 ASN A 3 -12.934 4.320 11.989 1.00 2.57 O ATOM 44 ND2 ASN A 3 -13.022 6.549 11.775 1.00 2.06 N ATOM 0 HA ASN A 3 -10.043 4.764 10.932 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -12.318 6.018 9.350 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -12.086 4.296 9.576 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -13.517 6.657 12.660 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -12.792 7.371 11.216 1.00 2.06 H new ATOM 51 N GLU A 4 -9.343 6.407 8.269 1.00 0.28 N ATOM 52 CA GLU A 4 -8.584 6.393 7.030 1.00 0.20 C ATOM 53 C GLU A 4 -7.103 6.179 7.348 1.00 0.17 C ATOM 54 O GLU A 4 -6.512 6.964 8.091 1.00 0.20 O ATOM 55 CB GLU A 4 -8.802 7.720 6.277 1.00 0.24 C ATOM 56 CG GLU A 4 -8.403 8.978 7.059 1.00 0.39 C ATOM 57 CD GLU A 4 -9.413 9.388 8.108 1.00 0.99 C ATOM 58 OE1 GLU A 4 -10.570 8.925 8.047 1.00 1.26 O ATOM 59 OE2 GLU A 4 -9.036 10.151 9.020 1.00 1.70 O ATOM 0 H GLU A 4 -9.580 7.342 8.602 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.924 5.577 6.392 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -8.233 7.692 5.348 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.854 7.798 6.004 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -7.441 8.805 7.542 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -8.265 9.802 6.359 1.00 0.39 H new ATOM 66 N LYS A 5 -6.510 5.093 6.826 1.00 0.17 N ATOM 67 CA LYS A 5 -5.143 4.716 7.212 1.00 0.18 C ATOM 68 C LYS A 5 -4.345 4.040 6.084 1.00 0.17 C ATOM 69 O LYS A 5 -4.777 3.028 5.533 1.00 0.18 O ATOM 70 CB LYS A 5 -5.189 3.765 8.401 1.00 0.26 C ATOM 71 CG LYS A 5 -5.820 4.340 9.664 1.00 0.79 C ATOM 72 CD LYS A 5 -6.124 3.241 10.665 1.00 0.87 C ATOM 73 CE LYS A 5 -6.787 3.766 11.929 1.00 1.27 C ATOM 74 NZ LYS A 5 -5.882 4.629 12.738 1.00 1.93 N ATOM 0 H LYS A 5 -6.948 4.471 6.147 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.634 5.647 7.460 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -5.742 2.872 8.111 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -4.172 3.449 8.633 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -5.146 5.070 10.112 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -6.738 4.869 9.408 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -6.774 2.500 10.199 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -5.198 2.730 10.930 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -7.677 4.334 11.658 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -7.118 2.924 12.537 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -6.243 4.695 13.711 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -4.928 4.216 12.751 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -5.842 5.580 12.318 1.00 1.93 H new ATOM 88 N ILE A 6 -3.144 4.569 5.803 1.00 0.16 N ATOM 89 CA ILE A 6 -2.246 3.999 4.786 1.00 0.15 C ATOM 90 C ILE A 6 -0.774 4.150 5.223 1.00 0.15 C ATOM 91 O ILE A 6 -0.427 5.092 5.927 1.00 0.20 O ATOM 92 CB ILE A 6 -2.414 4.697 3.410 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.823 4.512 2.856 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.396 4.181 2.399 1.00 0.18 C ATOM 95 CD1 ILE A 6 -4.033 5.215 1.533 1.00 0.19 C ATOM 0 H ILE A 6 -2.770 5.396 6.269 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.511 2.946 4.687 1.00 0.15 H new ATOM 0 HB ILE A 6 -2.241 5.761 3.573 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -4.022 3.448 2.732 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.545 4.889 3.580 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.540 4.689 1.446 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.388 4.376 2.766 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.531 3.108 2.262 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -5.054 5.047 1.190 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.864 6.284 1.658 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.333 4.821 0.796 1.00 0.19 H new ATOM 107 N LEU A 7 0.083 3.229 4.810 1.00 0.14 N ATOM 108 CA LEU A 7 1.513 3.333 5.070 1.00 0.16 C ATOM 109 C LEU A 7 2.268 3.395 3.740 1.00 0.25 C ATOM 110 O LEU A 7 1.838 2.790 2.783 1.00 0.59 O ATOM 111 CB LEU A 7 1.969 2.125 5.895 1.00 0.23 C ATOM 112 CG LEU A 7 3.124 2.391 6.861 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.421 2.632 6.117 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.802 3.580 7.739 1.00 0.47 C ATOM 0 H LEU A 7 -0.188 2.395 4.290 1.00 0.14 H new ATOM 0 HA LEU A 7 1.724 4.241 5.634 1.00 0.16 H new ATOM 0 HB2 LEU A 7 1.118 1.754 6.466 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.265 1.330 5.211 1.00 0.23 H new ATOM 0 HG LEU A 7 3.252 1.506 7.484 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.222 2.818 6.833 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.666 1.754 5.519 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.310 3.497 5.464 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.630 3.762 8.424 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.646 4.461 7.116 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.897 3.375 8.311 1.00 0.47 H new ATOM 126 N ILE A 8 3.343 4.174 3.661 1.00 0.19 N ATOM 127 CA ILE A 8 4.182 4.219 2.456 1.00 0.19 C ATOM 128 C ILE A 8 5.637 3.894 2.806 1.00 0.19 C ATOM 129 O ILE A 8 6.318 4.683 3.464 1.00 0.24 O ATOM 130 CB ILE A 8 4.129 5.603 1.755 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.703 5.942 1.300 1.00 0.23 C ATOM 132 CG2 ILE A 8 5.077 5.641 0.565 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.805 6.443 2.411 1.00 0.20 C ATOM 0 H ILE A 8 3.658 4.785 4.415 1.00 0.19 H new ATOM 0 HA ILE A 8 3.785 3.472 1.768 1.00 0.19 H new ATOM 0 HB ILE A 8 4.444 6.352 2.482 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.753 6.699 0.518 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.253 5.054 0.856 1.00 0.23 H new ATOM 0 HG21 ILE A 8 5.024 6.620 0.089 1.00 0.28 H new ATOM 0 HG22 ILE A 8 6.096 5.458 0.906 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.791 4.872 -0.153 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.815 6.660 2.009 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.723 5.679 3.184 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.229 7.350 2.841 1.00 0.20 H new ATOM 145 N VAL A 9 6.101 2.727 2.377 1.00 0.19 N ATOM 146 CA VAL A 9 7.452 2.265 2.677 1.00 0.19 C ATOM 147 C VAL A 9 8.344 2.350 1.448 1.00 0.19 C ATOM 148 O VAL A 9 8.218 1.521 0.548 1.00 0.22 O ATOM 149 CB VAL A 9 7.448 0.797 3.133 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.794 0.410 3.716 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.325 0.537 4.118 1.00 0.21 C ATOM 0 H VAL A 9 5.555 2.076 1.813 1.00 0.19 H new ATOM 0 HA VAL A 9 7.831 2.909 3.470 1.00 0.19 H new ATOM 0 HB VAL A 9 7.271 0.170 2.259 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.767 -0.633 4.032 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.569 0.541 2.961 1.00 0.23 H new ATOM 0 HG13 VAL A 9 9.014 1.044 4.575 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.345 -0.509 4.425 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.454 1.174 4.993 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.368 0.759 3.646 1.00 0.21 H new ATOM 161 N ASP A 10 9.264 3.316 1.441 1.00 0.21 N ATOM 162 CA ASP A 10 10.174 3.521 0.302 1.00 0.30 C ATOM 163 C ASP A 10 11.034 4.754 0.526 1.00 0.42 C ATOM 164 O ASP A 10 10.520 5.867 0.600 1.00 0.83 O ATOM 165 CB ASP A 10 9.416 3.669 -1.019 1.00 0.45 C ATOM 166 CG ASP A 10 10.343 3.986 -2.178 1.00 1.13 C ATOM 167 OD1 ASP A 10 11.299 3.217 -2.398 1.00 1.63 O ATOM 168 OD2 ASP A 10 10.113 4.999 -2.873 1.00 1.84 O ATOM 0 H ASP A 10 9.402 3.972 2.210 1.00 0.21 H new ATOM 0 HA ASP A 10 10.805 2.635 0.235 1.00 0.30 H new ATOM 0 HB2 ASP A 10 8.874 2.747 -1.231 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.673 4.461 -0.923 1.00 0.45 H new ATOM 173 N ASP A 11 12.339 4.561 0.606 1.00 0.29 N ATOM 174 CA ASP A 11 13.248 5.620 1.019 1.00 0.36 C ATOM 175 C ASP A 11 13.553 6.581 -0.121 1.00 0.38 C ATOM 176 O ASP A 11 14.652 6.598 -0.677 1.00 0.73 O ATOM 177 CB ASP A 11 14.540 5.028 1.584 1.00 0.48 C ATOM 178 CG ASP A 11 15.474 6.080 2.155 1.00 0.63 C ATOM 179 OD1 ASP A 11 15.078 6.784 3.105 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.605 6.222 1.646 1.00 0.74 O ATOM 0 H ASP A 11 12.797 3.676 0.389 1.00 0.29 H new ATOM 0 HA ASP A 11 12.751 6.191 1.803 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.293 4.308 2.364 1.00 0.48 H new ATOM 0 HB3 ASP A 11 15.057 4.480 0.796 1.00 0.48 H new ATOM 185 N GLN A 12 12.548 7.339 -0.503 1.00 0.56 N ATOM 186 CA GLN A 12 12.743 8.491 -1.352 1.00 0.60 C ATOM 187 C GLN A 12 12.552 9.727 -0.502 1.00 0.54 C ATOM 188 O GLN A 12 11.676 9.756 0.368 1.00 0.66 O ATOM 189 CB GLN A 12 11.796 8.466 -2.548 1.00 0.83 C ATOM 190 CG GLN A 12 12.063 7.301 -3.493 1.00 1.01 C ATOM 191 CD GLN A 12 13.465 7.314 -4.083 1.00 1.87 C ATOM 192 OE1 GLN A 12 14.031 8.500 -4.263 1.00 2.56 O flip ATOM 193 NE2 GLN A 12 14.036 6.266 -4.384 1.00 2.51 N flip ATOM 0 H GLN A 12 11.578 7.174 -0.235 1.00 0.56 H new ATOM 0 HA GLN A 12 13.750 8.487 -1.770 1.00 0.60 H new ATOM 0 HB2 GLN A 12 10.768 8.408 -2.190 1.00 0.83 H new ATOM 0 HB3 GLN A 12 11.889 9.402 -3.098 1.00 0.83 H new ATOM 0 HG2 GLN A 12 11.911 6.365 -2.956 1.00 1.01 H new ATOM 0 HG3 GLN A 12 11.335 7.326 -4.304 1.00 1.01 H new ATOM 0 HE21 GLN A 12 13.572 5.371 -4.232 1.00 2.51 H new ATOM 0 HE22 GLN A 12 14.973 6.293 -4.785 1.00 2.51 H new ATOM 202 N TYR A 13 13.376 10.731 -0.759 1.00 0.55 N ATOM 203 CA TYR A 13 13.593 11.824 0.183 1.00 0.60 C ATOM 204 C TYR A 13 12.294 12.451 0.688 1.00 0.51 C ATOM 205 O TYR A 13 12.132 12.658 1.890 1.00 0.61 O ATOM 206 CB TYR A 13 14.479 12.898 -0.446 1.00 0.75 C ATOM 207 CG TYR A 13 15.208 13.722 0.585 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.392 13.264 1.146 1.00 1.81 C ATOM 209 CD2 TYR A 13 14.711 14.948 1.007 1.00 2.25 C ATOM 210 CE1 TYR A 13 17.059 14.000 2.101 1.00 2.61 C ATOM 211 CE2 TYR A 13 15.375 15.693 1.962 1.00 3.15 C ATOM 212 CZ TYR A 13 16.548 15.213 2.504 1.00 3.23 C ATOM 213 OH TYR A 13 17.212 15.946 3.458 1.00 4.16 O ATOM 0 H TYR A 13 13.913 10.813 -1.623 1.00 0.55 H new ATOM 0 HA TYR A 13 14.092 11.390 1.049 1.00 0.60 H new ATOM 0 HB2 TYR A 13 15.205 12.424 -1.107 1.00 0.75 H new ATOM 0 HB3 TYR A 13 13.866 13.554 -1.064 1.00 0.75 H new ATOM 0 HD1 TYR A 13 16.797 12.315 0.829 1.00 1.81 H new ATOM 0 HD2 TYR A 13 13.792 15.324 0.582 1.00 2.25 H new ATOM 0 HE1 TYR A 13 17.977 13.627 2.531 1.00 2.61 H new ATOM 0 HE2 TYR A 13 14.978 16.645 2.282 1.00 3.15 H new ATOM 0 HH TYR A 13 16.723 16.777 3.631 1.00 4.16 H new ATOM 223 N GLY A 14 11.366 12.740 -0.210 1.00 0.43 N ATOM 224 CA GLY A 14 10.164 13.424 0.209 1.00 0.39 C ATOM 225 C GLY A 14 8.885 12.790 -0.290 1.00 0.37 C ATOM 226 O GLY A 14 7.806 13.240 0.067 1.00 0.45 O ATOM 0 H GLY A 14 11.421 12.518 -1.204 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.139 13.457 1.298 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.206 14.456 -0.141 1.00 0.39 H new ATOM 230 N ILE A 15 8.982 11.730 -1.075 1.00 0.37 N ATOM 231 CA ILE A 15 7.780 11.094 -1.613 1.00 0.38 C ATOM 232 C ILE A 15 7.011 10.465 -0.464 1.00 0.30 C ATOM 233 O ILE A 15 5.776 10.547 -0.375 1.00 0.31 O ATOM 234 CB ILE A 15 8.126 10.012 -2.658 1.00 0.50 C ATOM 235 CG1 ILE A 15 9.027 10.587 -3.758 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.852 9.432 -3.259 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.392 11.703 -4.562 1.00 0.95 C ATOM 0 H ILE A 15 9.861 11.294 -1.353 1.00 0.37 H new ATOM 0 HA ILE A 15 7.178 11.853 -2.112 1.00 0.38 H new ATOM 0 HB ILE A 15 8.671 9.211 -2.157 1.00 0.50 H new ATOM 0 HG12 ILE A 15 9.945 10.959 -3.302 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.312 9.783 -4.436 1.00 0.63 H new ATOM 0 HG21 ILE A 15 7.111 8.670 -3.994 1.00 0.56 H new ATOM 0 HG22 ILE A 15 6.248 8.984 -2.470 1.00 0.56 H new ATOM 0 HG23 ILE A 15 6.284 10.226 -3.744 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.095 12.053 -5.318 1.00 0.95 H new ATOM 0 HD12 ILE A 15 7.490 11.333 -5.049 1.00 0.95 H new ATOM 0 HD13 ILE A 15 8.133 12.528 -3.898 1.00 0.95 H new ATOM 249 N ARG A 16 7.791 9.904 0.446 1.00 0.30 N ATOM 250 CA ARG A 16 7.281 9.259 1.649 1.00 0.35 C ATOM 251 C ARG A 16 6.393 10.207 2.457 1.00 0.33 C ATOM 252 O ARG A 16 5.419 9.782 3.080 1.00 0.43 O ATOM 253 CB ARG A 16 8.462 8.798 2.503 1.00 0.49 C ATOM 254 CG ARG A 16 8.566 7.290 2.658 1.00 0.58 C ATOM 255 CD ARG A 16 9.945 6.875 3.164 1.00 0.82 C ATOM 256 NE ARG A 16 10.330 7.562 4.398 1.00 1.64 N ATOM 257 CZ ARG A 16 11.231 8.546 4.447 1.00 2.17 C ATOM 258 NH1 ARG A 16 11.834 8.959 3.337 1.00 2.49 N ATOM 259 NH2 ARG A 16 11.529 9.119 5.607 1.00 2.91 N ATOM 0 H ARG A 16 8.808 9.883 0.371 1.00 0.30 H new ATOM 0 HA ARG A 16 6.672 8.404 1.355 1.00 0.35 H new ATOM 0 HB2 ARG A 16 9.385 9.171 2.059 1.00 0.49 H new ATOM 0 HB3 ARG A 16 8.379 9.249 3.492 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.802 6.941 3.352 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.369 6.810 1.699 1.00 0.58 H new ATOM 0 HD2 ARG A 16 9.955 5.799 3.335 1.00 0.82 H new ATOM 0 HD3 ARG A 16 10.687 7.082 2.393 1.00 0.82 H new ATOM 0 HE ARG A 16 9.885 7.273 5.269 1.00 1.64 H new ATOM 0 HH11 ARG A 16 11.609 8.524 2.442 1.00 2.49 H new ATOM 0 HH12 ARG A 16 12.522 9.711 3.380 1.00 2.49 H new ATOM 0 HH21 ARG A 16 11.069 8.808 6.463 1.00 2.91 H new ATOM 0 HH22 ARG A 16 12.218 9.871 5.643 1.00 2.91 H new ATOM 273 N ILE A 17 6.731 11.491 2.441 1.00 0.27 N ATOM 274 CA ILE A 17 5.992 12.487 3.206 1.00 0.29 C ATOM 275 C ILE A 17 4.968 13.217 2.327 1.00 0.32 C ATOM 276 O ILE A 17 3.956 13.712 2.825 1.00 0.34 O ATOM 277 CB ILE A 17 6.953 13.498 3.878 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.205 14.452 4.811 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.732 14.285 2.839 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.643 13.782 6.044 1.00 0.68 C ATOM 0 H ILE A 17 7.514 11.867 1.906 1.00 0.27 H new ATOM 0 HA ILE A 17 5.448 11.961 3.990 1.00 0.29 H new ATOM 0 HB ILE A 17 7.657 12.921 4.478 1.00 0.32 H new ATOM 0 HG12 ILE A 17 6.881 15.250 5.118 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.390 14.920 4.259 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.399 14.987 3.339 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.319 13.599 2.228 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.038 14.834 2.203 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.127 14.521 6.657 1.00 0.68 H new ATOM 0 HD12 ILE A 17 4.941 13.003 5.747 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.455 13.338 6.619 1.00 0.68 H new ATOM 292 N LEU A 18 5.229 13.279 1.020 1.00 0.34 N ATOM 293 CA LEU A 18 4.252 13.843 0.078 1.00 0.43 C ATOM 294 C LEU A 18 2.908 13.157 0.241 1.00 0.33 C ATOM 295 O LEU A 18 1.871 13.811 0.305 1.00 0.32 O ATOM 296 CB LEU A 18 4.692 13.678 -1.379 1.00 0.63 C ATOM 297 CG LEU A 18 5.972 14.397 -1.781 1.00 0.76 C ATOM 298 CD1 LEU A 18 6.193 14.269 -3.279 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.923 15.857 -1.361 1.00 1.34 C ATOM 0 H LEU A 18 6.095 12.952 0.591 1.00 0.34 H new ATOM 0 HA LEU A 18 4.177 14.906 0.307 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.819 12.614 -1.580 1.00 0.63 H new ATOM 0 HB3 LEU A 18 3.885 14.030 -2.022 1.00 0.63 H new ATOM 0 HG LEU A 18 6.812 13.931 -1.267 1.00 0.76 H new ATOM 0 HD11 LEU A 18 7.111 14.787 -3.557 1.00 1.49 H new ATOM 0 HD12 LEU A 18 6.275 13.215 -3.546 1.00 1.49 H new ATOM 0 HD13 LEU A 18 5.351 14.713 -3.810 1.00 1.49 H new ATOM 0 HD21 LEU A 18 6.848 16.352 -1.658 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.078 16.347 -1.845 1.00 1.34 H new ATOM 0 HD23 LEU A 18 5.809 15.921 -0.279 1.00 1.34 H new ATOM 311 N LEU A 19 2.940 11.831 0.344 1.00 0.31 N ATOM 312 CA LEU A 19 1.720 11.056 0.541 1.00 0.29 C ATOM 313 C LEU A 19 0.991 11.507 1.801 1.00 0.20 C ATOM 314 O LEU A 19 -0.239 11.461 1.864 1.00 0.17 O ATOM 315 CB LEU A 19 2.032 9.565 0.624 1.00 0.37 C ATOM 316 CG LEU A 19 2.048 8.817 -0.717 1.00 0.55 C ATOM 317 CD1 LEU A 19 0.692 8.912 -1.397 1.00 1.32 C ATOM 318 CD2 LEU A 19 3.131 9.351 -1.641 1.00 1.07 C ATOM 0 H LEU A 19 3.793 11.274 0.295 1.00 0.31 H new ATOM 0 HA LEU A 19 1.072 11.229 -0.318 1.00 0.29 H new ATOM 0 HB2 LEU A 19 3.004 9.441 1.101 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.296 9.093 1.274 1.00 0.37 H new ATOM 0 HG LEU A 19 2.269 7.771 -0.506 1.00 0.55 H new ATOM 0 HD11 LEU A 19 0.722 8.376 -2.346 1.00 1.32 H new ATOM 0 HD12 LEU A 19 -0.069 8.469 -0.754 1.00 1.32 H new ATOM 0 HD13 LEU A 19 0.449 9.959 -1.579 1.00 1.32 H new ATOM 0 HD21 LEU A 19 3.113 8.798 -2.580 1.00 1.07 H new ATOM 0 HD22 LEU A 19 2.952 10.408 -1.838 1.00 1.07 H new ATOM 0 HD23 LEU A 19 4.105 9.230 -1.168 1.00 1.07 H new ATOM 330 N ASN A 20 1.754 11.962 2.791 1.00 0.20 N ATOM 331 CA ASN A 20 1.174 12.458 4.035 1.00 0.18 C ATOM 332 C ASN A 20 0.374 13.712 3.755 1.00 0.19 C ATOM 333 O ASN A 20 -0.811 13.790 4.069 1.00 0.20 O ATOM 334 CB ASN A 20 2.246 12.783 5.076 1.00 0.22 C ATOM 335 CG ASN A 20 2.920 11.561 5.651 1.00 0.21 C ATOM 336 OD1 ASN A 20 3.165 10.555 4.823 1.00 0.28 O flip ATOM 337 ND2 ASN A 20 3.248 11.530 6.834 1.00 0.18 N flip ATOM 0 H ASN A 20 2.773 11.997 2.756 1.00 0.20 H new ATOM 0 HA ASN A 20 0.535 11.671 4.435 1.00 0.18 H new ATOM 0 HB2 ASN A 20 3.001 13.423 4.620 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.792 13.353 5.887 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.043 12.323 7.441 1.00 0.18 H new ATOM 0 HD22 ASN A 20 3.726 10.711 7.209 1.00 0.18 H new ATOM 344 N GLU A 21 1.033 14.690 3.147 1.00 0.25 N ATOM 345 CA GLU A 21 0.392 15.936 2.764 1.00 0.30 C ATOM 346 C GLU A 21 -0.864 15.704 1.927 1.00 0.28 C ATOM 347 O GLU A 21 -1.815 16.480 2.000 1.00 0.34 O ATOM 348 CB GLU A 21 1.384 16.788 1.989 1.00 0.38 C ATOM 349 CG GLU A 21 2.196 17.721 2.866 1.00 0.58 C ATOM 350 CD GLU A 21 2.735 17.073 4.122 1.00 1.35 C ATOM 351 OE1 GLU A 21 2.008 17.034 5.129 1.00 1.93 O ATOM 352 OE2 GLU A 21 3.880 16.575 4.092 1.00 2.02 O ATOM 0 H GLU A 21 2.023 14.640 2.907 1.00 0.25 H new ATOM 0 HA GLU A 21 0.081 16.450 3.673 1.00 0.30 H new ATOM 0 HB2 GLU A 21 2.063 16.134 1.442 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.844 17.377 1.248 1.00 0.38 H new ATOM 0 HG2 GLU A 21 3.031 18.114 2.285 1.00 0.58 H new ATOM 0 HG3 GLU A 21 1.575 18.572 3.146 1.00 0.58 H new ATOM 359 N VAL A 22 -0.865 14.639 1.132 1.00 0.28 N ATOM 360 CA VAL A 22 -2.021 14.327 0.299 1.00 0.32 C ATOM 361 C VAL A 22 -3.181 13.784 1.132 1.00 0.31 C ATOM 362 O VAL A 22 -4.296 14.302 1.070 1.00 0.47 O ATOM 363 CB VAL A 22 -1.702 13.291 -0.804 1.00 0.43 C ATOM 364 CG1 VAL A 22 -2.874 13.160 -1.766 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.433 13.648 -1.557 1.00 0.63 C ATOM 0 H VAL A 22 -0.088 13.984 1.047 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.300 15.271 -0.170 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.537 12.330 -0.317 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.633 12.427 -2.536 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -3.759 12.834 -1.219 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -3.071 14.125 -2.233 1.00 0.78 H new ATOM 0 HG21 VAL A 22 -0.241 12.897 -2.324 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.551 14.624 -2.027 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.406 13.679 -0.862 1.00 0.63 H new ATOM 375 N PHE A 23 -2.925 12.740 1.914 1.00 0.22 N ATOM 376 CA PHE A 23 -4.016 12.006 2.548 1.00 0.20 C ATOM 377 C PHE A 23 -3.972 12.020 4.070 1.00 0.18 C ATOM 378 O PHE A 23 -5.017 12.039 4.696 1.00 0.20 O ATOM 379 CB PHE A 23 -4.023 10.549 2.091 1.00 0.24 C ATOM 380 CG PHE A 23 -4.276 10.351 0.626 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.498 10.693 0.070 1.00 0.33 C ATOM 382 CD2 PHE A 23 -3.287 9.839 -0.198 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.730 10.526 -1.280 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.514 9.667 -1.549 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.754 9.953 -2.079 1.00 0.38 C ATOM 0 H PHE A 23 -1.991 12.388 2.122 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.922 12.525 2.236 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -3.063 10.099 2.344 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.786 10.010 2.653 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -6.278 11.095 0.700 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -2.328 9.572 0.221 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.669 10.841 -1.712 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.721 9.309 -2.189 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.964 9.731 -3.115 1.00 0.38 H new ATOM 395 N ASN A 24 -2.787 12.025 4.659 1.00 0.17 N ATOM 396 CA ASN A 24 -2.623 11.727 6.089 1.00 0.20 C ATOM 397 C ASN A 24 -3.585 12.503 6.984 1.00 0.23 C ATOM 398 O ASN A 24 -4.102 11.974 7.973 1.00 0.28 O ATOM 399 CB ASN A 24 -1.203 12.052 6.514 1.00 0.20 C ATOM 400 CG ASN A 24 -0.857 11.448 7.858 1.00 0.18 C ATOM 401 OD1 ASN A 24 -0.265 10.271 7.824 1.00 0.19 O flip ATOM 402 ND2 ASN A 24 -1.103 12.035 8.910 1.00 0.19 N flip ATOM 0 H ASN A 24 -1.915 12.232 4.173 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.845 10.667 6.211 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.507 11.683 5.761 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -1.078 13.134 6.560 1.00 0.20 H new ATOM 0 HD21 ASN A 24 -1.563 12.945 8.891 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.847 11.612 9.802 1.00 0.19 H new ATOM 409 N LYS A 25 -3.814 13.753 6.653 1.00 0.25 N ATOM 410 CA LYS A 25 -4.644 14.597 7.486 1.00 0.32 C ATOM 411 C LYS A 25 -6.134 14.454 7.180 1.00 0.30 C ATOM 412 O LYS A 25 -6.973 14.674 8.055 1.00 0.38 O ATOM 413 CB LYS A 25 -4.213 16.071 7.399 1.00 0.45 C ATOM 414 CG LYS A 25 -3.344 16.430 6.192 1.00 0.51 C ATOM 415 CD LYS A 25 -1.906 15.941 6.347 1.00 1.10 C ATOM 416 CE LYS A 25 -1.235 16.495 7.598 1.00 1.44 C ATOM 417 NZ LYS A 25 -1.094 17.973 7.554 1.00 1.75 N ATOM 0 H LYS A 25 -3.441 14.207 5.819 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.495 14.251 8.509 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.108 16.693 7.379 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.667 16.327 8.307 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -3.778 15.995 5.292 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -3.345 17.511 6.055 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -1.898 14.852 6.386 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -1.329 16.233 5.469 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -1.818 16.214 8.475 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -0.250 16.041 7.711 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -0.587 18.299 8.402 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -0.559 18.246 6.705 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -2.037 18.411 7.525 1.00 1.75 H new ATOM 431 N GLU A 26 -6.470 14.071 5.959 1.00 0.29 N ATOM 432 CA GLU A 26 -7.866 14.075 5.531 1.00 0.35 C ATOM 433 C GLU A 26 -8.265 12.792 4.803 1.00 0.33 C ATOM 434 O GLU A 26 -9.266 12.166 5.146 1.00 0.45 O ATOM 435 CB GLU A 26 -8.119 15.287 4.636 1.00 0.43 C ATOM 436 CG GLU A 26 -7.049 15.486 3.575 1.00 0.42 C ATOM 437 CD GLU A 26 -7.297 16.703 2.715 1.00 0.54 C ATOM 438 OE1 GLU A 26 -7.194 17.835 3.232 1.00 0.61 O ATOM 439 OE2 GLU A 26 -7.603 16.534 1.516 1.00 0.75 O ATOM 0 H GLU A 26 -5.806 13.756 5.251 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.483 14.132 6.428 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.087 15.174 4.149 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.177 16.182 5.256 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.077 15.581 4.059 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.004 14.601 2.940 1.00 0.42 H new ATOM 446 N GLY A 27 -7.486 12.402 3.805 1.00 0.25 N ATOM 447 CA GLY A 27 -7.848 11.272 2.979 1.00 0.26 C ATOM 448 C GLY A 27 -7.587 9.939 3.648 1.00 0.20 C ATOM 449 O GLY A 27 -8.435 9.051 3.602 1.00 0.22 O ATOM 0 H GLY A 27 -6.606 12.851 3.553 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.905 11.342 2.721 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -7.289 11.319 2.045 1.00 0.26 H new ATOM 453 N TYR A 28 -6.414 9.801 4.267 1.00 0.22 N ATOM 454 CA TYR A 28 -6.007 8.555 4.913 1.00 0.17 C ATOM 455 C TYR A 28 -5.047 8.829 6.076 1.00 0.31 C ATOM 456 O TYR A 28 -5.053 9.911 6.639 1.00 0.84 O ATOM 457 CB TYR A 28 -5.377 7.591 3.896 1.00 0.19 C ATOM 458 CG TYR A 28 -6.384 6.986 2.936 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.194 5.928 3.331 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.527 7.472 1.639 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.116 5.371 2.466 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.448 6.919 0.768 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.238 5.869 1.186 1.00 0.50 C ATOM 464 OH TYR A 28 -9.154 5.315 0.321 1.00 0.62 O ATOM 0 H TYR A 28 -5.722 10.548 4.334 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.899 8.079 5.320 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.616 8.123 3.325 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -4.870 6.789 4.432 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.101 5.534 4.332 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.909 8.294 1.308 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -8.738 4.550 2.791 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.548 7.308 -0.235 1.00 0.42 H new ATOM 0 HH TYR A 28 -9.115 5.782 -0.540 1.00 0.62 H new ATOM 474 N GLN A 29 -4.258 7.828 6.454 1.00 0.20 N ATOM 475 CA GLN A 29 -3.278 7.956 7.545 1.00 0.15 C ATOM 476 C GLN A 29 -1.914 7.666 6.988 1.00 0.17 C ATOM 477 O GLN A 29 -1.102 6.980 7.603 1.00 0.34 O ATOM 478 CB GLN A 29 -3.581 6.957 8.662 1.00 0.19 C ATOM 479 CG GLN A 29 -2.776 7.134 9.940 1.00 0.28 C ATOM 480 CD GLN A 29 -2.494 8.565 10.251 1.00 0.74 C ATOM 481 OE1 GLN A 29 -1.341 9.000 9.834 1.00 1.50 O flip ATOM 482 NE2 GLN A 29 -3.283 9.254 10.890 1.00 0.53 N flip ATOM 0 H GLN A 29 -4.274 6.906 6.019 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.326 8.964 7.957 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.640 7.026 8.909 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.408 5.950 8.281 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.320 6.686 10.772 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -1.834 6.594 9.848 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -4.174 8.861 11.192 1.00 0.53 H new ATOM 0 HE22 GLN A 29 -3.047 10.220 11.119 1.00 0.53 H new ATOM 491 N THR A 30 -1.667 8.232 5.843 1.00 0.12 N ATOM 492 CA THR A 30 -0.538 7.856 5.039 1.00 0.13 C ATOM 493 C THR A 30 0.754 8.243 5.721 1.00 0.13 C ATOM 494 O THR A 30 1.058 9.412 5.829 1.00 0.17 O ATOM 495 CB THR A 30 -0.637 8.542 3.679 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.869 9.941 3.861 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.765 7.963 2.853 1.00 0.16 C ATOM 0 H THR A 30 -2.244 8.970 5.438 1.00 0.12 H new ATOM 0 HA THR A 30 -0.542 6.774 4.905 1.00 0.13 H new ATOM 0 HB THR A 30 0.303 8.379 3.152 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.940 10.377 2.986 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.810 8.472 1.890 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.590 6.899 2.693 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.709 8.100 3.380 1.00 0.16 H new ATOM 505 N PHE A 31 1.505 7.268 6.199 1.00 0.13 N ATOM 506 CA PHE A 31 2.734 7.568 6.918 1.00 0.14 C ATOM 507 C PHE A 31 3.938 7.088 6.109 1.00 0.13 C ATOM 508 O PHE A 31 3.774 6.450 5.076 1.00 0.14 O ATOM 509 CB PHE A 31 2.721 6.913 8.303 1.00 0.17 C ATOM 510 CG PHE A 31 3.155 7.836 9.404 1.00 0.24 C ATOM 511 CD1 PHE A 31 2.234 8.635 10.060 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.486 7.904 9.780 1.00 0.29 C ATOM 513 CE1 PHE A 31 2.634 9.487 11.071 1.00 0.45 C ATOM 514 CE2 PHE A 31 4.892 8.752 10.791 1.00 0.36 C ATOM 515 CZ PHE A 31 3.949 9.545 11.443 1.00 0.42 C ATOM 0 H PHE A 31 1.292 6.275 6.106 1.00 0.13 H new ATOM 0 HA PHE A 31 2.808 8.647 7.054 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.715 6.553 8.517 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.376 6.042 8.291 1.00 0.17 H new ATOM 0 HD1 PHE A 31 1.192 8.592 9.778 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.215 7.286 9.276 1.00 0.29 H new ATOM 0 HE1 PHE A 31 1.906 10.110 11.570 1.00 0.45 H new ATOM 0 HE2 PHE A 31 5.933 8.801 11.075 1.00 0.36 H new ATOM 0 HZ PHE A 31 4.256 10.205 12.241 1.00 0.42 H new ATOM 525 N GLN A 32 5.145 7.387 6.577 1.00 0.14 N ATOM 526 CA GLN A 32 6.358 7.042 5.839 1.00 0.16 C ATOM 527 C GLN A 32 7.125 5.937 6.548 1.00 0.17 C ATOM 528 O GLN A 32 7.091 5.840 7.774 1.00 0.20 O ATOM 529 CB GLN A 32 7.264 8.272 5.662 1.00 0.21 C ATOM 530 CG GLN A 32 7.576 9.006 6.956 1.00 0.76 C ATOM 531 CD GLN A 32 6.709 10.231 7.156 1.00 0.33 C ATOM 532 OE1 GLN A 32 5.530 10.210 6.565 1.00 0.51 O flip ATOM 533 NE2 GLN A 32 7.107 11.194 7.808 1.00 0.52 N flip ATOM 0 H GLN A 32 5.311 7.866 7.462 1.00 0.14 H new ATOM 0 HA GLN A 32 6.055 6.686 4.854 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.200 7.957 5.201 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.786 8.965 4.970 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.437 8.327 7.797 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.625 9.304 6.956 1.00 0.76 H new ATOM 0 HE21 GLN A 32 8.027 11.167 8.248 1.00 0.52 H new ATOM 0 HE22 GLN A 32 6.518 12.020 7.909 1.00 0.52 H new ATOM 542 N ALA A 33 7.797 5.097 5.767 1.00 0.18 N ATOM 543 CA ALA A 33 8.605 4.019 6.318 1.00 0.19 C ATOM 544 C ALA A 33 9.882 3.791 5.512 1.00 0.18 C ATOM 545 O ALA A 33 9.865 3.789 4.276 1.00 0.20 O ATOM 546 CB ALA A 33 7.800 2.733 6.384 1.00 0.20 C ATOM 0 H ALA A 33 7.797 5.144 4.748 1.00 0.18 H new ATOM 0 HA ALA A 33 8.896 4.317 7.325 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.419 1.937 6.798 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.927 2.882 7.020 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.475 2.455 5.381 1.00 0.20 H new ATOM 552 N ALA A 34 10.984 3.611 6.243 1.00 0.18 N ATOM 553 CA ALA A 34 12.269 3.257 5.658 1.00 0.20 C ATOM 554 C ALA A 34 12.474 1.746 5.702 1.00 0.17 C ATOM 555 O ALA A 34 13.415 1.216 5.129 1.00 0.21 O ATOM 556 CB ALA A 34 13.389 3.962 6.401 1.00 0.27 C ATOM 0 H ALA A 34 11.006 3.708 7.258 1.00 0.18 H new ATOM 0 HA ALA A 34 12.281 3.577 4.616 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.347 3.692 5.957 1.00 0.27 H new ATOM 0 HB2 ALA A 34 13.249 5.041 6.332 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.377 3.661 7.448 1.00 0.27 H new ATOM 562 N ASN A 35 11.607 1.056 6.426 1.00 0.16 N ATOM 563 CA ASN A 35 11.584 -0.405 6.402 1.00 0.20 C ATOM 564 C ASN A 35 10.157 -0.862 6.578 1.00 0.21 C ATOM 565 O ASN A 35 9.332 -0.125 7.119 1.00 0.18 O ATOM 566 CB ASN A 35 12.416 -1.041 7.530 1.00 0.25 C ATOM 567 CG ASN A 35 13.533 -0.169 8.050 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.645 -0.191 7.531 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.248 0.574 9.104 1.00 0.22 N ATOM 0 H ASN A 35 10.909 1.480 7.038 1.00 0.16 H new ATOM 0 HA ASN A 35 12.012 -0.717 5.450 1.00 0.20 H new ATOM 0 HB2 ASN A 35 11.752 -1.292 8.357 1.00 0.25 H new ATOM 0 HB3 ASN A 35 12.841 -1.977 7.168 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.968 1.163 9.522 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.308 0.558 9.500 1.00 0.22 H new ATOM 576 N GLY A 36 9.867 -2.074 6.143 1.00 0.29 N ATOM 577 CA GLY A 36 8.588 -2.669 6.455 1.00 0.33 C ATOM 578 C GLY A 36 8.441 -2.868 7.950 1.00 0.30 C ATOM 579 O GLY A 36 7.339 -2.968 8.473 1.00 0.30 O ATOM 0 H GLY A 36 10.490 -2.655 5.582 1.00 0.29 H new ATOM 0 HA2 GLY A 36 7.785 -2.031 6.087 1.00 0.33 H new ATOM 0 HA3 GLY A 36 8.493 -3.627 5.944 1.00 0.33 H new ATOM 583 N LEU A 37 9.580 -2.905 8.628 1.00 0.31 N ATOM 584 CA LEU A 37 9.628 -2.999 10.080 1.00 0.31 C ATOM 585 C LEU A 37 9.199 -1.676 10.687 1.00 0.24 C ATOM 586 O LEU A 37 8.469 -1.643 11.676 1.00 0.25 O ATOM 587 CB LEU A 37 11.048 -3.355 10.538 1.00 0.40 C ATOM 588 CG LEU A 37 11.439 -4.840 10.472 1.00 0.76 C ATOM 589 CD1 LEU A 37 10.776 -5.616 11.599 1.00 1.52 C ATOM 590 CD2 LEU A 37 11.071 -5.456 9.131 1.00 1.36 C ATOM 0 H LEU A 37 10.498 -2.871 8.185 1.00 0.31 H new ATOM 0 HA LEU A 37 8.948 -3.784 10.413 1.00 0.31 H new ATOM 0 HB2 LEU A 37 11.754 -2.789 9.930 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.170 -3.016 11.567 1.00 0.40 H new ATOM 0 HG LEU A 37 12.521 -4.899 10.585 1.00 0.76 H new ATOM 0 HD11 LEU A 37 11.064 -6.665 11.537 1.00 1.52 H new ATOM 0 HD12 LEU A 37 11.095 -5.208 12.558 1.00 1.52 H new ATOM 0 HD13 LEU A 37 9.693 -5.531 11.511 1.00 1.52 H new ATOM 0 HD21 LEU A 37 11.362 -6.506 9.121 1.00 1.36 H new ATOM 0 HD22 LEU A 37 9.995 -5.376 8.977 1.00 1.36 H new ATOM 0 HD23 LEU A 37 11.592 -4.927 8.333 1.00 1.36 H new ATOM 602 N GLN A 38 9.643 -0.584 10.070 1.00 0.20 N ATOM 603 CA GLN A 38 9.209 0.740 10.465 1.00 0.16 C ATOM 604 C GLN A 38 7.718 0.860 10.171 1.00 0.16 C ATOM 605 O GLN A 38 6.959 1.475 10.913 1.00 0.17 O ATOM 606 CB GLN A 38 10.013 1.793 9.692 1.00 0.15 C ATOM 607 CG GLN A 38 10.081 3.161 10.361 1.00 0.19 C ATOM 608 CD GLN A 38 8.756 3.902 10.382 1.00 0.23 C ATOM 609 OE1 GLN A 38 7.947 3.696 9.359 1.00 0.50 O flip ATOM 610 NE2 GLN A 38 8.470 4.660 11.304 1.00 0.17 N flip ATOM 0 H GLN A 38 10.304 -0.597 9.294 1.00 0.20 H new ATOM 0 HA GLN A 38 9.378 0.904 11.529 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.028 1.423 9.550 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.574 1.910 8.701 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.433 3.037 11.385 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.820 3.772 9.842 1.00 0.19 H new ATOM 0 HE21 GLN A 38 9.123 4.792 12.077 1.00 0.17 H new ATOM 0 HE22 GLN A 38 7.580 5.158 11.298 1.00 0.17 H new ATOM 619 N ALA A 39 7.304 0.238 9.075 1.00 0.18 N ATOM 620 CA ALA A 39 5.902 0.214 8.700 1.00 0.22 C ATOM 621 C ALA A 39 5.101 -0.571 9.722 1.00 0.27 C ATOM 622 O ALA A 39 3.960 -0.235 10.014 1.00 0.32 O ATOM 623 CB ALA A 39 5.732 -0.387 7.318 1.00 0.25 C ATOM 0 H ALA A 39 7.922 -0.256 8.431 1.00 0.18 H new ATOM 0 HA ALA A 39 5.530 1.238 8.676 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.675 -0.397 7.053 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.282 0.210 6.591 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.117 -1.407 7.315 1.00 0.25 H new ATOM 629 N LEU A 40 5.727 -1.598 10.278 1.00 0.29 N ATOM 630 CA LEU A 40 5.111 -2.425 11.304 1.00 0.33 C ATOM 631 C LEU A 40 5.005 -1.630 12.594 1.00 0.29 C ATOM 632 O LEU A 40 4.033 -1.759 13.343 1.00 0.30 O ATOM 633 CB LEU A 40 5.932 -3.699 11.512 1.00 0.39 C ATOM 634 CG LEU A 40 5.439 -4.635 12.619 1.00 0.47 C ATOM 635 CD1 LEU A 40 4.044 -5.160 12.305 1.00 1.47 C ATOM 636 CD2 LEU A 40 6.411 -5.789 12.809 1.00 1.42 C ATOM 0 H LEU A 40 6.675 -1.881 10.031 1.00 0.29 H new ATOM 0 HA LEU A 40 4.109 -2.717 10.989 1.00 0.33 H new ATOM 0 HB2 LEU A 40 5.951 -4.254 10.574 1.00 0.39 H new ATOM 0 HB3 LEU A 40 6.960 -3.414 11.734 1.00 0.39 H new ATOM 0 HG LEU A 40 5.387 -4.067 13.548 1.00 0.47 H new ATOM 0 HD11 LEU A 40 3.716 -5.823 13.106 1.00 1.47 H new ATOM 0 HD12 LEU A 40 3.351 -4.323 12.219 1.00 1.47 H new ATOM 0 HD13 LEU A 40 4.066 -5.711 11.365 1.00 1.47 H new ATOM 0 HD21 LEU A 40 6.047 -6.445 13.599 1.00 1.42 H new ATOM 0 HD22 LEU A 40 6.494 -6.352 11.879 1.00 1.42 H new ATOM 0 HD23 LEU A 40 7.390 -5.398 13.085 1.00 1.42 H new ATOM 648 N ASP A 41 6.010 -0.793 12.831 1.00 0.27 N ATOM 649 CA ASP A 41 5.960 0.176 13.911 1.00 0.27 C ATOM 650 C ASP A 41 4.698 1.007 13.780 1.00 0.26 C ATOM 651 O ASP A 41 3.935 1.149 14.726 1.00 0.32 O ATOM 652 CB ASP A 41 7.184 1.096 13.880 1.00 0.27 C ATOM 653 CG ASP A 41 8.438 0.442 14.426 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.392 -0.102 15.549 1.00 0.86 O ATOM 655 OD2 ASP A 41 9.482 0.466 13.737 1.00 1.31 O ATOM 0 H ASP A 41 6.871 -0.770 12.285 1.00 0.27 H new ATOM 0 HA ASP A 41 5.958 -0.361 14.860 1.00 0.27 H new ATOM 0 HB2 ASP A 41 7.366 1.414 12.853 1.00 0.27 H new ATOM 0 HB3 ASP A 41 6.970 1.995 14.458 1.00 0.27 H new ATOM 660 N ILE A 42 4.455 1.530 12.588 1.00 0.22 N ATOM 661 CA ILE A 42 3.255 2.315 12.361 1.00 0.23 C ATOM 662 C ILE A 42 2.010 1.432 12.397 1.00 0.24 C ATOM 663 O ILE A 42 0.961 1.860 12.849 1.00 0.26 O ATOM 664 CB ILE A 42 3.270 3.080 11.029 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.585 3.850 10.844 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.086 4.034 10.999 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.901 4.812 11.972 1.00 0.22 C ATOM 0 H ILE A 42 5.063 1.427 11.775 1.00 0.22 H new ATOM 0 HA ILE A 42 3.230 3.046 13.169 1.00 0.23 H new ATOM 0 HB ILE A 42 3.193 2.367 10.208 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.402 3.135 10.750 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.539 4.406 9.908 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.085 4.584 10.058 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.159 3.467 11.089 1.00 0.28 H new ATOM 0 HG23 ILE A 42 2.163 4.736 11.829 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.845 5.316 11.766 1.00 0.22 H new ATOM 0 HD12 ILE A 42 4.105 5.552 12.053 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.981 4.261 12.909 1.00 0.22 H new ATOM 679 N VAL A 43 2.121 0.199 11.925 1.00 0.25 N ATOM 680 CA VAL A 43 0.992 -0.727 11.966 1.00 0.29 C ATOM 681 C VAL A 43 0.545 -0.961 13.409 1.00 0.36 C ATOM 682 O VAL A 43 -0.636 -1.185 13.675 1.00 0.44 O ATOM 683 CB VAL A 43 1.325 -2.073 11.274 1.00 0.36 C ATOM 684 CG1 VAL A 43 0.261 -3.126 11.564 1.00 0.86 C ATOM 685 CG2 VAL A 43 1.458 -1.872 9.772 1.00 0.82 C ATOM 0 H VAL A 43 2.972 -0.184 11.512 1.00 0.25 H new ATOM 0 HA VAL A 43 0.172 -0.270 11.412 1.00 0.29 H new ATOM 0 HB VAL A 43 2.273 -2.429 11.677 1.00 0.36 H new ATOM 0 HG11 VAL A 43 0.525 -4.058 11.064 1.00 0.86 H new ATOM 0 HG12 VAL A 43 0.201 -3.296 12.639 1.00 0.86 H new ATOM 0 HG13 VAL A 43 -0.705 -2.778 11.197 1.00 0.86 H new ATOM 0 HG21 VAL A 43 1.692 -2.825 9.297 1.00 0.82 H new ATOM 0 HG22 VAL A 43 0.520 -1.488 9.372 1.00 0.82 H new ATOM 0 HG23 VAL A 43 2.258 -1.159 9.570 1.00 0.82 H new ATOM 695 N THR A 44 1.475 -0.862 14.344 1.00 0.36 N ATOM 696 CA THR A 44 1.133 -1.032 15.748 1.00 0.43 C ATOM 697 C THR A 44 0.917 0.328 16.423 1.00 0.44 C ATOM 698 O THR A 44 0.332 0.406 17.503 1.00 0.52 O ATOM 699 CB THR A 44 2.199 -1.862 16.510 1.00 0.45 C ATOM 700 OG1 THR A 44 1.703 -2.235 17.804 1.00 0.54 O ATOM 701 CG2 THR A 44 3.505 -1.099 16.676 1.00 0.42 C ATOM 0 H THR A 44 2.460 -0.668 14.162 1.00 0.36 H new ATOM 0 HA THR A 44 0.199 -1.592 15.788 1.00 0.43 H new ATOM 0 HB THR A 44 2.399 -2.753 15.914 1.00 0.45 H new ATOM 0 HG1 THR A 44 1.014 -1.598 18.086 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.222 -1.718 17.215 1.00 0.42 H new ATOM 0 HG22 THR A 44 3.907 -0.848 15.694 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.322 -0.183 17.238 1.00 0.42 H new ATOM 709 N LYS A 45 1.378 1.394 15.772 1.00 0.39 N ATOM 710 CA LYS A 45 1.212 2.748 16.292 1.00 0.41 C ATOM 711 C LYS A 45 -0.055 3.413 15.761 1.00 0.40 C ATOM 712 O LYS A 45 -0.960 3.740 16.526 1.00 0.45 O ATOM 713 CB LYS A 45 2.419 3.598 15.902 1.00 0.40 C ATOM 714 CG LYS A 45 3.648 3.361 16.764 1.00 0.47 C ATOM 715 CD LYS A 45 4.815 4.264 16.369 1.00 0.56 C ATOM 716 CE LYS A 45 4.627 5.706 16.842 1.00 1.19 C ATOM 717 NZ LYS A 45 3.581 6.447 16.081 1.00 2.01 N ATOM 0 H LYS A 45 1.871 1.345 14.880 1.00 0.39 H new ATOM 0 HA LYS A 45 1.128 2.675 17.376 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.673 3.394 14.862 1.00 0.40 H new ATOM 0 HB3 LYS A 45 2.143 4.651 15.962 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.395 3.535 17.810 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.953 2.318 16.679 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.738 3.865 16.790 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.928 4.253 15.285 1.00 0.56 H new ATOM 0 HE2 LYS A 45 4.362 5.702 17.899 1.00 1.19 H new ATOM 0 HE3 LYS A 45 5.575 6.236 16.753 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 3.863 7.443 15.984 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 3.473 6.024 15.137 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 2.676 6.391 16.591 1.00 2.01 H new ATOM 731 N GLU A 46 -0.117 3.598 14.447 1.00 0.35 N ATOM 732 CA GLU A 46 -1.225 4.306 13.823 1.00 0.37 C ATOM 733 C GLU A 46 -2.225 3.317 13.224 1.00 0.37 C ATOM 734 O GLU A 46 -3.356 3.683 12.895 1.00 0.41 O ATOM 735 CB GLU A 46 -0.693 5.241 12.739 1.00 0.36 C ATOM 736 CG GLU A 46 0.479 6.105 13.190 1.00 0.39 C ATOM 737 CD GLU A 46 0.203 6.861 14.473 1.00 1.36 C ATOM 738 OE1 GLU A 46 -0.692 7.731 14.467 1.00 2.00 O ATOM 739 OE2 GLU A 46 0.882 6.596 15.486 1.00 2.01 O ATOM 0 H GLU A 46 0.591 3.265 13.792 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.739 4.894 14.583 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.384 4.646 11.880 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.502 5.890 12.403 1.00 0.36 H new ATOM 0 HG2 GLU A 46 1.356 5.473 13.330 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.722 6.817 12.401 1.00 0.39 H new ATOM 746 N ARG A 47 -1.780 2.071 13.066 1.00 0.35 N ATOM 747 CA ARG A 47 -2.637 0.968 12.626 1.00 0.35 C ATOM 748 C ARG A 47 -3.205 1.160 11.210 1.00 0.26 C ATOM 749 O ARG A 47 -4.393 0.919 11.006 1.00 0.31 O ATOM 750 CB ARG A 47 -3.805 0.794 13.603 1.00 0.48 C ATOM 751 CG ARG A 47 -3.410 0.265 14.961 1.00 0.73 C ATOM 752 CD ARG A 47 -3.519 -1.242 14.971 1.00 1.59 C ATOM 753 NE ARG A 47 -2.976 -1.839 16.188 1.00 2.33 N ATOM 754 CZ ARG A 47 -2.275 -2.967 16.204 1.00 3.40 C ATOM 755 NH1 ARG A 47 -1.915 -3.535 15.062 1.00 3.94 N ATOM 756 NH2 ARG A 47 -1.905 -3.506 17.359 1.00 4.15 N ATOM 0 H ARG A 47 -0.813 1.796 13.240 1.00 0.35 H new ATOM 0 HA ARG A 47 -2.003 0.081 12.606 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -4.301 1.756 13.732 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.535 0.116 13.161 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -2.390 0.567 15.197 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -4.055 0.691 15.730 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -4.566 -1.527 14.867 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.992 -1.646 14.107 1.00 1.59 H new ATOM 0 HE ARG A 47 -3.144 -1.364 17.075 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -2.176 -3.106 14.174 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -1.377 -4.401 15.071 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -2.159 -3.054 18.237 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -1.367 -4.372 17.368 1.00 4.15 H new ATOM 770 N PRO A 48 -2.398 1.548 10.195 1.00 0.19 N ATOM 771 CA PRO A 48 -2.925 1.768 8.844 1.00 0.17 C ATOM 772 C PRO A 48 -3.488 0.494 8.211 1.00 0.22 C ATOM 773 O PRO A 48 -3.080 -0.615 8.556 1.00 0.33 O ATOM 774 CB PRO A 48 -1.733 2.285 8.047 1.00 0.19 C ATOM 775 CG PRO A 48 -0.711 2.672 9.063 1.00 0.22 C ATOM 776 CD PRO A 48 -0.948 1.782 10.251 1.00 0.22 C ATOM 0 HA PRO A 48 -3.763 2.465 8.861 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.348 1.518 7.375 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -2.014 3.138 7.429 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.298 2.539 8.672 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.811 3.722 9.336 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.385 0.852 10.179 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.651 2.263 11.183 1.00 0.22 H new ATOM 784 N ASP A 49 -4.433 0.657 7.287 1.00 0.23 N ATOM 785 CA ASP A 49 -5.097 -0.485 6.670 1.00 0.29 C ATOM 786 C ASP A 49 -4.510 -0.764 5.293 1.00 0.25 C ATOM 787 O ASP A 49 -4.483 -1.907 4.843 1.00 0.31 O ATOM 788 CB ASP A 49 -6.610 -0.241 6.570 1.00 0.37 C ATOM 789 CG ASP A 49 -7.377 -1.447 6.046 1.00 1.20 C ATOM 790 OD1 ASP A 49 -7.279 -2.533 6.661 1.00 1.40 O ATOM 791 OD2 ASP A 49 -8.084 -1.315 5.025 1.00 2.12 O ATOM 0 H ASP A 49 -4.754 1.565 6.952 1.00 0.23 H new ATOM 0 HA ASP A 49 -4.931 -1.359 7.299 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -6.994 0.027 7.554 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -6.792 0.610 5.914 1.00 0.37 H new ATOM 796 N LEU A 50 -4.014 0.283 4.635 1.00 0.21 N ATOM 797 CA LEU A 50 -3.418 0.131 3.312 1.00 0.22 C ATOM 798 C LEU A 50 -1.931 0.360 3.417 1.00 0.19 C ATOM 799 O LEU A 50 -1.501 1.285 4.084 1.00 0.20 O ATOM 800 CB LEU A 50 -4.018 1.124 2.305 1.00 0.28 C ATOM 801 CG LEU A 50 -5.393 0.779 1.717 1.00 0.46 C ATOM 802 CD1 LEU A 50 -6.437 0.581 2.801 1.00 1.39 C ATOM 803 CD2 LEU A 50 -5.836 1.875 0.767 1.00 1.21 C ATOM 0 H LEU A 50 -4.013 1.238 4.994 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.627 -0.877 2.954 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -4.093 2.096 2.792 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.315 1.235 1.479 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.296 -0.162 1.175 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -7.396 0.338 2.343 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -6.131 -0.235 3.456 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -6.535 1.497 3.384 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -6.813 1.625 0.353 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -5.902 2.820 1.307 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -5.112 1.970 -0.042 1.00 1.21 H new ATOM 815 N VAL A 51 -1.145 -0.488 2.794 1.00 0.22 N ATOM 816 CA VAL A 51 0.295 -0.360 2.885 1.00 0.23 C ATOM 817 C VAL A 51 0.960 -0.302 1.518 1.00 0.27 C ATOM 818 O VAL A 51 0.995 -1.286 0.788 1.00 0.48 O ATOM 819 CB VAL A 51 0.909 -1.527 3.665 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.400 -1.306 3.881 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.198 -1.740 4.993 1.00 0.40 C ATOM 0 H VAL A 51 -1.472 -1.268 2.223 1.00 0.22 H new ATOM 0 HA VAL A 51 0.476 0.579 3.408 1.00 0.23 H new ATOM 0 HB VAL A 51 0.778 -2.430 3.069 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.816 -2.146 4.437 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.900 -1.227 2.916 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.553 -0.386 4.446 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.658 -2.575 5.522 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.280 -0.837 5.599 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.854 -1.960 4.811 1.00 0.40 H new ATOM 831 N LEU A 52 1.460 0.867 1.187 1.00 0.23 N ATOM 832 CA LEU A 52 2.428 1.042 0.122 1.00 0.26 C ATOM 833 C LEU A 52 3.751 0.450 0.578 1.00 0.23 C ATOM 834 O LEU A 52 4.320 0.922 1.555 1.00 0.26 O ATOM 835 CB LEU A 52 2.632 2.539 -0.157 1.00 0.30 C ATOM 836 CG LEU A 52 1.695 3.187 -1.175 1.00 0.45 C ATOM 837 CD1 LEU A 52 1.667 2.400 -2.470 1.00 1.08 C ATOM 838 CD2 LEU A 52 0.295 3.356 -0.606 1.00 1.37 C ATOM 0 H LEU A 52 1.204 1.736 1.655 1.00 0.23 H new ATOM 0 HA LEU A 52 2.072 0.550 -0.783 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.532 3.076 0.786 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.657 2.684 -0.499 1.00 0.30 H new ATOM 0 HG LEU A 52 2.084 4.181 -1.397 1.00 0.45 H new ATOM 0 HD11 LEU A 52 0.992 2.884 -3.176 1.00 1.08 H new ATOM 0 HD12 LEU A 52 2.670 2.363 -2.895 1.00 1.08 H new ATOM 0 HD13 LEU A 52 1.319 1.386 -2.272 1.00 1.08 H new ATOM 0 HD21 LEU A 52 -0.348 3.820 -1.354 1.00 1.37 H new ATOM 0 HD22 LEU A 52 -0.108 2.380 -0.336 1.00 1.37 H new ATOM 0 HD23 LEU A 52 0.336 3.990 0.280 1.00 1.37 H new ATOM 850 N LEU A 53 4.241 -0.579 -0.086 1.00 0.22 N ATOM 851 CA LEU A 53 5.477 -1.205 0.354 1.00 0.22 C ATOM 852 C LEU A 53 6.446 -1.428 -0.798 1.00 0.19 C ATOM 853 O LEU A 53 6.062 -1.908 -1.872 1.00 0.20 O ATOM 854 CB LEU A 53 5.175 -2.527 1.064 1.00 0.31 C ATOM 855 CG LEU A 53 5.670 -2.602 2.511 1.00 0.49 C ATOM 856 CD1 LEU A 53 5.093 -3.813 3.219 1.00 1.20 C ATOM 857 CD2 LEU A 53 7.189 -2.646 2.547 1.00 0.96 C ATOM 0 H LEU A 53 3.815 -0.994 -0.915 1.00 0.22 H new ATOM 0 HA LEU A 53 5.960 -0.524 1.054 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.098 -2.692 1.054 1.00 0.31 H new ATOM 0 HB3 LEU A 53 5.627 -3.340 0.497 1.00 0.31 H new ATOM 0 HG LEU A 53 5.330 -1.708 3.033 1.00 0.49 H new ATOM 0 HD11 LEU A 53 5.460 -3.844 4.245 1.00 1.20 H new ATOM 0 HD12 LEU A 53 4.005 -3.747 3.224 1.00 1.20 H new ATOM 0 HD13 LEU A 53 5.399 -4.720 2.697 1.00 1.20 H new ATOM 0 HD21 LEU A 53 7.527 -2.699 3.582 1.00 0.96 H new ATOM 0 HD22 LEU A 53 7.541 -3.524 2.005 1.00 0.96 H new ATOM 0 HD23 LEU A 53 7.590 -1.747 2.080 1.00 0.96 H new ATOM 869 N ASP A 54 7.702 -1.044 -0.580 1.00 0.20 N ATOM 870 CA ASP A 54 8.753 -1.333 -1.531 1.00 0.19 C ATOM 871 C ASP A 54 9.754 -2.326 -0.937 1.00 0.18 C ATOM 872 O ASP A 54 10.017 -2.317 0.266 1.00 0.24 O ATOM 873 CB ASP A 54 9.463 -0.045 -1.934 1.00 0.23 C ATOM 874 CG ASP A 54 10.069 -0.143 -3.310 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.833 -1.098 -3.561 1.00 0.27 O ATOM 876 OD2 ASP A 54 9.759 0.708 -4.161 1.00 0.83 O ATOM 0 H ASP A 54 8.008 -0.533 0.248 1.00 0.20 H new ATOM 0 HA ASP A 54 8.306 -1.782 -2.418 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.755 0.783 -1.908 1.00 0.23 H new ATOM 0 HB3 ASP A 54 10.245 0.181 -1.209 1.00 0.23 H new ATOM 881 N MET A 55 10.292 -3.186 -1.786 1.00 0.27 N ATOM 882 CA MET A 55 11.296 -4.167 -1.386 1.00 0.31 C ATOM 883 C MET A 55 12.688 -3.645 -1.736 1.00 0.32 C ATOM 884 O MET A 55 13.697 -4.096 -1.193 1.00 0.43 O ATOM 885 CB MET A 55 11.007 -5.514 -2.070 1.00 0.38 C ATOM 886 CG MET A 55 12.102 -6.560 -1.922 1.00 0.48 C ATOM 887 SD MET A 55 13.352 -6.448 -3.221 1.00 1.23 S ATOM 888 CE MET A 55 14.479 -7.750 -2.725 1.00 1.60 C ATOM 0 H MET A 55 10.046 -3.226 -2.775 1.00 0.27 H new ATOM 0 HA MET A 55 11.255 -4.324 -0.308 1.00 0.31 H new ATOM 0 HB2 MET A 55 10.081 -5.920 -1.663 1.00 0.38 H new ATOM 0 HB3 MET A 55 10.837 -5.336 -3.132 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.582 -6.443 -0.950 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.654 -7.554 -1.939 1.00 0.48 H new ATOM 0 HE1 MET A 55 15.306 -7.804 -3.432 1.00 1.60 H new ATOM 0 HE2 MET A 55 14.867 -7.536 -1.729 1.00 1.60 H new ATOM 0 HE3 MET A 55 13.950 -8.703 -2.711 1.00 1.60 H new ATOM 898 N LYS A 56 12.717 -2.641 -2.605 1.00 0.29 N ATOM 899 CA LYS A 56 13.954 -1.988 -3.012 1.00 0.35 C ATOM 900 C LYS A 56 14.332 -0.951 -1.960 1.00 0.30 C ATOM 901 O LYS A 56 15.208 -0.109 -2.165 1.00 0.37 O ATOM 902 CB LYS A 56 13.768 -1.309 -4.379 1.00 0.49 C ATOM 903 CG LYS A 56 13.248 -2.244 -5.464 1.00 0.76 C ATOM 904 CD LYS A 56 12.750 -1.504 -6.712 1.00 1.11 C ATOM 905 CE LYS A 56 11.490 -0.683 -6.448 1.00 1.26 C ATOM 906 NZ LYS A 56 11.773 0.633 -5.808 1.00 2.37 N ATOM 0 H LYS A 56 11.882 -2.257 -3.047 1.00 0.29 H new ATOM 0 HA LYS A 56 14.749 -2.729 -3.100 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.075 -0.475 -4.269 1.00 0.49 H new ATOM 0 HB3 LYS A 56 14.722 -0.891 -4.699 1.00 0.49 H new ATOM 0 HG2 LYS A 56 14.042 -2.934 -5.751 1.00 0.76 H new ATOM 0 HG3 LYS A 56 12.435 -2.845 -5.057 1.00 0.76 H new ATOM 0 HD2 LYS A 56 13.538 -0.845 -7.077 1.00 1.11 H new ATOM 0 HD3 LYS A 56 12.548 -2.228 -7.502 1.00 1.11 H new ATOM 0 HE2 LYS A 56 10.968 -0.517 -7.390 1.00 1.26 H new ATOM 0 HE3 LYS A 56 10.819 -1.255 -5.808 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 11.287 0.684 -4.890 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 12.798 0.736 -5.664 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 11.432 1.399 -6.423 1.00 2.37 H new ATOM 920 N ILE A 57 13.654 -1.046 -0.827 1.00 0.24 N ATOM 921 CA ILE A 57 13.826 -0.126 0.270 1.00 0.24 C ATOM 922 C ILE A 57 15.079 -0.500 1.067 1.00 0.29 C ATOM 923 O ILE A 57 15.295 -1.670 1.398 1.00 0.32 O ATOM 924 CB ILE A 57 12.544 -0.131 1.164 1.00 0.22 C ATOM 925 CG1 ILE A 57 12.101 1.294 1.466 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.729 -0.920 2.461 1.00 0.25 C ATOM 927 CD1 ILE A 57 13.032 2.059 2.371 1.00 0.29 C ATOM 0 H ILE A 57 12.963 -1.775 -0.648 1.00 0.24 H new ATOM 0 HA ILE A 57 13.965 0.886 -0.109 1.00 0.24 H new ATOM 0 HB ILE A 57 11.765 -0.638 0.595 1.00 0.22 H new ATOM 0 HG12 ILE A 57 12.001 1.837 0.526 1.00 0.24 H new ATOM 0 HG13 ILE A 57 11.112 1.264 1.924 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.807 -0.888 3.041 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.974 -1.956 2.225 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.538 -0.479 3.043 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.639 3.063 2.532 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.114 1.543 3.328 1.00 0.29 H new ATOM 0 HD13 ILE A 57 14.017 2.125 1.908 1.00 0.29 H new ATOM 939 N PRO A 58 15.965 0.476 1.312 1.00 0.33 N ATOM 940 CA PRO A 58 17.146 0.269 2.145 1.00 0.38 C ATOM 941 C PRO A 58 16.760 -0.014 3.590 1.00 0.37 C ATOM 942 O PRO A 58 16.117 0.806 4.242 1.00 0.37 O ATOM 943 CB PRO A 58 17.916 1.586 2.041 1.00 0.43 C ATOM 944 CG PRO A 58 17.317 2.310 0.881 1.00 0.41 C ATOM 945 CD PRO A 58 15.899 1.843 0.783 1.00 0.36 C ATOM 0 HA PRO A 58 17.733 -0.589 1.819 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.822 2.168 2.958 1.00 0.43 H new ATOM 0 HB3 PRO A 58 18.980 1.407 1.885 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.362 3.389 1.030 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.863 2.092 -0.037 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.226 2.470 1.368 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.538 1.861 -0.245 1.00 0.36 H new ATOM 953 N GLY A 59 17.144 -1.180 4.078 1.00 0.41 N ATOM 954 CA GLY A 59 16.795 -1.568 5.423 1.00 0.44 C ATOM 955 C GLY A 59 16.415 -3.024 5.509 1.00 0.42 C ATOM 956 O GLY A 59 17.224 -3.869 5.878 1.00 0.55 O ATOM 0 H GLY A 59 17.694 -1.867 3.563 1.00 0.41 H new ATOM 0 HA2 GLY A 59 17.637 -1.373 6.087 1.00 0.44 H new ATOM 0 HA3 GLY A 59 15.965 -0.955 5.773 1.00 0.44 H new ATOM 960 N MET A 60 15.177 -3.314 5.153 1.00 0.38 N ATOM 961 CA MET A 60 14.654 -4.676 5.219 1.00 0.39 C ATOM 962 C MET A 60 14.033 -5.073 3.886 1.00 0.36 C ATOM 963 O MET A 60 13.777 -4.221 3.036 1.00 0.34 O ATOM 964 CB MET A 60 13.602 -4.807 6.328 1.00 0.40 C ATOM 965 CG MET A 60 14.112 -4.443 7.722 1.00 0.53 C ATOM 966 SD MET A 60 15.428 -5.528 8.310 1.00 0.78 S ATOM 967 CE MET A 60 14.513 -7.034 8.628 1.00 1.51 C ATOM 0 H MET A 60 14.508 -2.624 4.813 1.00 0.38 H new ATOM 0 HA MET A 60 15.488 -5.341 5.443 1.00 0.39 H new ATOM 0 HB2 MET A 60 12.753 -4.167 6.086 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.234 -5.833 6.345 1.00 0.40 H new ATOM 0 HG2 MET A 60 14.476 -3.416 7.711 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.280 -4.479 8.426 1.00 0.53 H new ATOM 0 HE1 MET A 60 14.564 -7.273 9.690 1.00 1.51 H new ATOM 0 HE2 MET A 60 13.472 -6.895 8.337 1.00 1.51 H new ATOM 0 HE3 MET A 60 14.946 -7.851 8.051 1.00 1.51 H new ATOM 977 N ASP A 61 13.777 -6.367 3.718 1.00 0.38 N ATOM 978 CA ASP A 61 13.132 -6.869 2.502 1.00 0.38 C ATOM 979 C ASP A 61 11.650 -6.574 2.565 1.00 0.32 C ATOM 980 O ASP A 61 10.892 -7.337 3.161 1.00 0.33 O ATOM 981 CB ASP A 61 13.317 -8.374 2.312 1.00 0.48 C ATOM 982 CG ASP A 61 14.765 -8.829 2.316 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.297 -9.136 3.403 1.00 0.84 O ATOM 984 OD2 ASP A 61 15.369 -8.907 1.229 1.00 0.88 O ATOM 0 H ASP A 61 14.004 -7.087 4.404 1.00 0.38 H new ATOM 0 HA ASP A 61 13.604 -6.365 1.659 1.00 0.38 H new ATOM 0 HB2 ASP A 61 12.781 -8.897 3.104 1.00 0.48 H new ATOM 0 HB3 ASP A 61 12.858 -8.669 1.368 1.00 0.48 H new ATOM 989 N GLY A 62 11.242 -5.463 1.962 1.00 0.33 N ATOM 990 CA GLY A 62 9.846 -5.058 1.992 1.00 0.37 C ATOM 991 C GLY A 62 8.906 -6.146 1.516 1.00 0.36 C ATOM 992 O GLY A 62 7.742 -6.189 1.918 1.00 0.40 O ATOM 0 H GLY A 62 11.857 -4.831 1.449 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.578 -4.772 3.009 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.716 -4.174 1.368 1.00 0.37 H new ATOM 996 N ILE A 63 9.419 -7.025 0.660 1.00 0.35 N ATOM 997 CA ILE A 63 8.676 -8.188 0.207 1.00 0.36 C ATOM 998 C ILE A 63 8.179 -9.006 1.401 1.00 0.32 C ATOM 999 O ILE A 63 6.976 -9.211 1.574 1.00 0.33 O ATOM 1000 CB ILE A 63 9.545 -9.073 -0.730 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.858 -10.415 -1.002 1.00 0.64 C ATOM 1002 CG2 ILE A 63 10.942 -9.289 -0.153 1.00 0.39 C ATOM 1003 CD1 ILE A 63 9.695 -11.370 -1.826 1.00 1.60 C ATOM 0 H ILE A 63 10.356 -6.949 0.265 1.00 0.35 H new ATOM 0 HA ILE A 63 7.813 -7.837 -0.359 1.00 0.36 H new ATOM 0 HB ILE A 63 9.654 -8.545 -1.677 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.614 -10.888 -0.051 1.00 0.64 H new ATOM 0 HG13 ILE A 63 7.916 -10.233 -1.519 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.524 -9.912 -0.832 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.437 -8.326 -0.029 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.863 -9.784 0.815 1.00 0.39 H new ATOM 0 HD11 ILE A 63 9.144 -12.298 -1.978 1.00 1.60 H new ATOM 0 HD12 ILE A 63 9.918 -10.918 -2.792 1.00 1.60 H new ATOM 0 HD13 ILE A 63 10.627 -11.583 -1.302 1.00 1.60 H new ATOM 1015 N GLU A 64 9.117 -9.416 2.241 1.00 0.31 N ATOM 1016 CA GLU A 64 8.837 -10.228 3.408 1.00 0.33 C ATOM 1017 C GLU A 64 7.799 -9.571 4.295 1.00 0.28 C ATOM 1018 O GLU A 64 6.894 -10.232 4.802 1.00 0.30 O ATOM 1019 CB GLU A 64 10.128 -10.429 4.191 1.00 0.40 C ATOM 1020 CG GLU A 64 11.264 -10.963 3.339 1.00 0.49 C ATOM 1021 CD GLU A 64 10.939 -12.323 2.757 1.00 0.69 C ATOM 1022 OE1 GLU A 64 11.232 -13.346 3.405 1.00 0.97 O ATOM 1023 OE2 GLU A 64 10.422 -12.377 1.625 1.00 0.86 O ATOM 0 H GLU A 64 10.105 -9.190 2.127 1.00 0.31 H new ATOM 0 HA GLU A 64 8.440 -11.189 3.080 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.429 -9.479 4.634 1.00 0.40 H new ATOM 0 HB3 GLU A 64 9.943 -11.120 5.014 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.473 -10.262 2.531 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.169 -11.033 3.942 1.00 0.49 H new ATOM 1030 N ILE A 65 7.925 -8.263 4.456 1.00 0.27 N ATOM 1031 CA ILE A 65 7.036 -7.522 5.328 1.00 0.27 C ATOM 1032 C ILE A 65 5.605 -7.532 4.802 1.00 0.27 C ATOM 1033 O ILE A 65 4.678 -7.733 5.572 1.00 0.29 O ATOM 1034 CB ILE A 65 7.503 -6.063 5.556 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.726 -6.018 6.484 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.377 -5.227 6.144 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.019 -6.450 5.835 1.00 0.32 C ATOM 0 H ILE A 65 8.635 -7.695 3.993 1.00 0.27 H new ATOM 0 HA ILE A 65 7.064 -8.033 6.291 1.00 0.27 H new ATOM 0 HB ILE A 65 7.785 -5.647 4.589 1.00 0.28 H new ATOM 0 HG12 ILE A 65 8.844 -5.002 6.860 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.536 -6.657 7.347 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.724 -4.205 6.297 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.530 -5.223 5.458 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.069 -5.652 7.099 1.00 0.34 H new ATOM 0 HD11 ILE A 65 10.829 -6.387 6.561 1.00 0.32 H new ATOM 0 HD12 ILE A 65 9.925 -7.478 5.484 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.238 -5.797 4.990 1.00 0.32 H new ATOM 1049 N LEU A 66 5.415 -7.333 3.498 1.00 0.29 N ATOM 1050 CA LEU A 66 4.069 -7.296 2.945 1.00 0.34 C ATOM 1051 C LEU A 66 3.402 -8.658 3.043 1.00 0.32 C ATOM 1052 O LEU A 66 2.183 -8.751 3.241 1.00 0.34 O ATOM 1053 CB LEU A 66 4.095 -6.757 1.505 1.00 0.52 C ATOM 1054 CG LEU A 66 4.628 -7.686 0.405 1.00 1.02 C ATOM 1055 CD1 LEU A 66 3.534 -8.605 -0.121 1.00 1.98 C ATOM 1056 CD2 LEU A 66 5.216 -6.859 -0.725 1.00 1.67 C ATOM 0 H LEU A 66 6.163 -7.198 2.818 1.00 0.29 H new ATOM 0 HA LEU A 66 3.464 -6.609 3.537 1.00 0.34 H new ATOM 0 HB2 LEU A 66 3.079 -6.468 1.237 1.00 0.52 H new ATOM 0 HB3 LEU A 66 4.697 -5.849 1.498 1.00 0.52 H new ATOM 0 HG LEU A 66 5.409 -8.314 0.834 1.00 1.02 H new ATOM 0 HD11 LEU A 66 3.943 -9.250 -0.898 1.00 1.98 H new ATOM 0 HD12 LEU A 66 3.151 -9.218 0.695 1.00 1.98 H new ATOM 0 HD13 LEU A 66 2.724 -8.006 -0.536 1.00 1.98 H new ATOM 0 HD21 LEU A 66 5.593 -7.522 -1.503 1.00 1.67 H new ATOM 0 HD22 LEU A 66 4.444 -6.212 -1.142 1.00 1.67 H new ATOM 0 HD23 LEU A 66 6.033 -6.248 -0.342 1.00 1.67 H new ATOM 1068 N LYS A 67 4.188 -9.721 2.929 1.00 0.32 N ATOM 1069 CA LYS A 67 3.642 -11.047 3.151 1.00 0.37 C ATOM 1070 C LYS A 67 3.285 -11.185 4.628 1.00 0.38 C ATOM 1071 O LYS A 67 2.186 -11.611 4.973 1.00 0.44 O ATOM 1072 CB LYS A 67 4.616 -12.150 2.746 1.00 0.42 C ATOM 1073 CG LYS A 67 5.582 -11.734 1.658 1.00 0.40 C ATOM 1074 CD LYS A 67 6.729 -12.726 1.475 1.00 0.43 C ATOM 1075 CE LYS A 67 7.291 -13.219 2.802 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.420 -14.173 2.611 1.00 1.27 N ATOM 0 H LYS A 67 5.179 -9.692 2.690 1.00 0.32 H new ATOM 0 HA LYS A 67 2.756 -11.161 2.527 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.182 -12.463 3.623 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.050 -13.017 2.406 1.00 0.42 H new ATOM 0 HG2 LYS A 67 5.041 -11.633 0.717 1.00 0.40 H new ATOM 0 HG3 LYS A 67 5.991 -10.752 1.897 1.00 0.40 H new ATOM 0 HD2 LYS A 67 6.378 -13.579 0.893 1.00 0.43 H new ATOM 0 HD3 LYS A 67 7.525 -12.254 0.900 1.00 0.43 H new ATOM 0 HE2 LYS A 67 7.632 -12.367 3.390 1.00 1.34 H new ATOM 0 HE3 LYS A 67 6.499 -13.704 3.373 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 8.892 -14.339 3.523 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 8.055 -15.074 2.241 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 9.102 -13.773 1.936 1.00 1.27 H new ATOM 1090 N ARG A 68 4.226 -10.785 5.487 1.00 0.35 N ATOM 1091 CA ARG A 68 4.025 -10.761 6.925 1.00 0.41 C ATOM 1092 C ARG A 68 2.777 -9.968 7.286 1.00 0.39 C ATOM 1093 O ARG A 68 2.067 -10.332 8.204 1.00 0.46 O ATOM 1094 CB ARG A 68 5.250 -10.155 7.618 1.00 0.45 C ATOM 1095 CG ARG A 68 5.162 -10.206 9.129 1.00 0.49 C ATOM 1096 CD ARG A 68 4.859 -11.616 9.589 1.00 1.11 C ATOM 1097 NE ARG A 68 6.011 -12.511 9.476 1.00 1.70 N ATOM 1098 CZ ARG A 68 6.578 -13.121 10.518 1.00 2.45 C ATOM 1099 NH1 ARG A 68 6.210 -12.804 11.754 1.00 2.71 N ATOM 1100 NH2 ARG A 68 7.542 -14.016 10.328 1.00 3.22 N ATOM 0 H ARG A 68 5.151 -10.468 5.196 1.00 0.35 H new ATOM 0 HA ARG A 68 3.891 -11.787 7.268 1.00 0.41 H new ATOM 0 HB2 ARG A 68 6.144 -10.687 7.294 1.00 0.45 H new ATOM 0 HB3 ARG A 68 5.364 -9.118 7.301 1.00 0.45 H new ATOM 0 HG2 ARG A 68 6.101 -9.867 9.567 1.00 0.49 H new ATOM 0 HG3 ARG A 68 4.384 -9.527 9.478 1.00 0.49 H new ATOM 0 HD2 ARG A 68 4.525 -11.591 10.626 1.00 1.11 H new ATOM 0 HD3 ARG A 68 4.035 -12.016 8.999 1.00 1.11 H new ATOM 0 HE ARG A 68 6.402 -12.678 8.549 1.00 1.70 H new ATOM 0 HH11 ARG A 68 5.494 -12.094 11.907 1.00 2.71 H new ATOM 0 HH12 ARG A 68 6.644 -13.271 12.551 1.00 2.71 H new ATOM 0 HH21 ARG A 68 7.851 -14.239 9.382 1.00 3.22 H new ATOM 0 HH22 ARG A 68 7.972 -14.480 11.128 1.00 3.22 H new ATOM 1114 N MET A 69 2.506 -8.898 6.556 1.00 0.34 N ATOM 1115 CA MET A 69 1.289 -8.124 6.763 1.00 0.36 C ATOM 1116 C MET A 69 0.082 -9.004 6.502 1.00 0.41 C ATOM 1117 O MET A 69 -0.849 -9.078 7.311 1.00 0.45 O ATOM 1118 CB MET A 69 1.253 -6.918 5.828 1.00 0.38 C ATOM 1119 CG MET A 69 2.334 -5.894 6.112 1.00 0.42 C ATOM 1120 SD MET A 69 2.173 -5.150 7.746 1.00 1.16 S ATOM 1121 CE MET A 69 3.514 -3.967 7.712 1.00 1.18 C ATOM 0 H MET A 69 3.111 -8.544 5.815 1.00 0.34 H new ATOM 0 HA MET A 69 1.272 -7.767 7.793 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.354 -7.264 4.799 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.279 -6.436 5.908 1.00 0.38 H new ATOM 0 HG2 MET A 69 3.311 -6.370 6.028 1.00 0.42 H new ATOM 0 HG3 MET A 69 2.295 -5.111 5.355 1.00 0.42 H new ATOM 0 HE1 MET A 69 4.207 -4.179 8.526 1.00 1.18 H new ATOM 0 HE2 MET A 69 4.039 -4.040 6.760 1.00 1.18 H new ATOM 0 HE3 MET A 69 3.114 -2.960 7.830 1.00 1.18 H new ATOM 1131 N LYS A 70 0.109 -9.688 5.368 1.00 0.47 N ATOM 1132 CA LYS A 70 -0.926 -10.664 5.052 1.00 0.60 C ATOM 1133 C LYS A 70 -0.745 -11.931 5.888 1.00 0.66 C ATOM 1134 O LYS A 70 -1.409 -12.933 5.657 1.00 0.90 O ATOM 1135 CB LYS A 70 -0.921 -11.021 3.568 1.00 0.80 C ATOM 1136 CG LYS A 70 -1.015 -9.817 2.657 1.00 0.98 C ATOM 1137 CD LYS A 70 -1.525 -10.201 1.279 1.00 1.71 C ATOM 1138 CE LYS A 70 -2.952 -10.744 1.331 1.00 2.51 C ATOM 1139 NZ LYS A 70 -3.944 -9.707 1.736 1.00 3.32 N ATOM 0 H LYS A 70 0.831 -9.587 4.655 1.00 0.47 H new ATOM 0 HA LYS A 70 -1.887 -10.210 5.293 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -0.008 -11.570 3.338 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -1.756 -11.690 3.361 1.00 0.80 H new ATOM 0 HG2 LYS A 70 -1.681 -9.076 3.099 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -0.034 -9.350 2.566 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -1.491 -9.331 0.624 1.00 1.71 H new ATOM 0 HD3 LYS A 70 -0.866 -10.953 0.844 1.00 1.71 H new ATOM 0 HE2 LYS A 70 -3.223 -11.138 0.352 1.00 2.51 H new ATOM 0 HE3 LYS A 70 -2.995 -11.577 2.033 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 -4.460 -10.031 2.579 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 -3.449 -8.819 1.954 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 -4.616 -9.547 0.959 1.00 3.32 H new ATOM 1153 N VAL A 71 0.212 -11.894 6.801 1.00 0.59 N ATOM 1154 CA VAL A 71 0.344 -12.903 7.841 1.00 0.66 C ATOM 1155 C VAL A 71 -0.294 -12.391 9.130 1.00 0.67 C ATOM 1156 O VAL A 71 -0.846 -13.151 9.921 1.00 0.79 O ATOM 1157 CB VAL A 71 1.821 -13.237 8.086 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.984 -14.091 9.322 1.00 0.76 C ATOM 1159 CG2 VAL A 71 2.419 -13.949 6.889 1.00 0.75 C ATOM 0 H VAL A 71 0.921 -11.162 6.842 1.00 0.59 H new ATOM 0 HA VAL A 71 -0.165 -13.811 7.517 1.00 0.66 H new ATOM 0 HB VAL A 71 2.351 -12.297 8.237 1.00 0.65 H new ATOM 0 HG11 VAL A 71 3.040 -14.314 9.474 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.598 -13.554 10.189 1.00 0.76 H new ATOM 0 HG13 VAL A 71 1.431 -15.022 9.197 1.00 0.76 H new ATOM 0 HG21 VAL A 71 3.467 -14.175 7.086 1.00 0.75 H new ATOM 0 HG22 VAL A 71 1.875 -14.876 6.708 1.00 0.75 H new ATOM 0 HG23 VAL A 71 2.346 -13.308 6.010 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.216 -11.081 9.310 1.00 0.59 N ATOM 1170 CA ILE A 72 -0.725 -10.409 10.495 1.00 0.64 C ATOM 1171 C ILE A 72 -2.255 -10.393 10.506 1.00 0.66 C ATOM 1172 O ILE A 72 -2.890 -10.658 11.531 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.221 -8.947 10.526 1.00 0.62 C ATOM 1174 CG1 ILE A 72 1.310 -8.868 10.537 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -0.793 -8.191 11.713 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.981 -9.742 11.575 1.00 1.48 C ATOM 0 H ILE A 72 0.207 -10.449 8.630 1.00 0.59 H new ATOM 0 HA ILE A 72 -0.366 -10.956 11.367 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.574 -8.475 9.609 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.682 -9.148 9.551 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.606 -7.833 10.707 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.420 -7.167 11.706 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -1.881 -8.181 11.648 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.489 -8.682 12.638 1.00 0.79 H new ATOM 0 HD11 ILE A 72 3.062 -9.621 11.509 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.644 -9.450 12.570 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.721 -10.785 11.395 1.00 1.48 H new ATOM 1188 N ASP A 73 -2.829 -10.107 9.346 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.282 -10.009 9.192 1.00 0.67 C ATOM 1190 C ASP A 73 -4.762 -10.980 8.136 1.00 0.72 C ATOM 1191 O ASP A 73 -5.757 -11.676 8.318 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.686 -8.601 8.746 1.00 0.64 C ATOM 1193 CG ASP A 73 -4.610 -7.557 9.844 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -3.482 -7.165 10.212 1.00 1.88 O ATOM 1195 OD2 ASP A 73 -5.665 -7.148 10.364 1.00 0.91 O ATOM 0 H ASP A 73 -2.308 -9.936 8.486 1.00 0.61 H new ATOM 0 HA ASP A 73 -4.731 -10.239 10.158 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -4.042 -8.294 7.922 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -5.705 -8.632 8.359 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.059 -10.931 7.003 1.00 0.67 N ATOM 1201 CA GLU A 74 -4.330 -11.747 5.814 1.00 0.75 C ATOM 1202 C GLU A 74 -5.341 -11.026 4.956 1.00 0.74 C ATOM 1203 O GLU A 74 -5.628 -11.413 3.829 1.00 0.86 O ATOM 1204 CB GLU A 74 -4.806 -13.162 6.165 1.00 0.88 C ATOM 1205 CG GLU A 74 -3.781 -13.953 6.953 1.00 0.99 C ATOM 1206 CD GLU A 74 -4.275 -15.321 7.364 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -4.659 -16.107 6.473 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -4.280 -15.615 8.576 1.00 1.31 O ATOM 0 H GLU A 74 -3.263 -10.305 6.882 1.00 0.67 H new ATOM 0 HA GLU A 74 -3.399 -11.877 5.263 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -5.728 -13.096 6.742 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -5.043 -13.698 5.246 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -2.878 -14.065 6.353 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -3.504 -13.390 7.845 1.00 0.99 H new ATOM 1215 N ASN A 75 -5.811 -9.918 5.496 1.00 0.68 N ATOM 1216 CA ASN A 75 -6.862 -9.133 4.898 1.00 0.74 C ATOM 1217 C ASN A 75 -6.383 -7.717 4.696 1.00 0.67 C ATOM 1218 O ASN A 75 -6.984 -6.944 3.958 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.062 -9.155 5.823 1.00 0.85 C ATOM 1220 CG ASN A 75 -8.745 -10.501 5.825 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -9.690 -10.740 5.071 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -8.252 -11.401 6.658 1.00 1.00 N ATOM 0 H ASN A 75 -5.465 -9.536 6.376 1.00 0.68 H new ATOM 0 HA ASN A 75 -7.139 -9.546 3.928 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -7.744 -8.907 6.836 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -8.772 -8.388 5.515 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -8.655 -12.337 6.694 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -7.468 -11.159 7.265 1.00 1.00 H new ATOM 1229 N ILE A 76 -5.283 -7.400 5.370 1.00 0.57 N ATOM 1230 CA ILE A 76 -4.664 -6.094 5.272 1.00 0.51 C ATOM 1231 C ILE A 76 -4.403 -5.736 3.814 1.00 0.40 C ATOM 1232 O ILE A 76 -3.987 -6.579 3.011 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.351 -6.046 6.075 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -2.799 -4.621 6.089 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -2.333 -7.021 5.500 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.594 -4.436 6.987 1.00 0.59 C ATOM 0 H ILE A 76 -4.800 -8.043 5.997 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.351 -5.362 5.696 1.00 0.51 H new ATOM 0 HB ILE A 76 -3.556 -6.347 7.102 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.528 -4.337 5.072 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.587 -3.940 6.411 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -1.413 -6.971 6.082 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -2.735 -8.033 5.542 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.122 -6.757 4.464 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -1.262 -3.399 6.942 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -1.863 -4.686 8.013 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -0.788 -5.090 6.653 1.00 0.59 H new ATOM 1248 N ARG A 77 -4.683 -4.499 3.479 1.00 0.42 N ATOM 1249 CA ARG A 77 -4.572 -4.027 2.108 1.00 0.39 C ATOM 1250 C ARG A 77 -3.133 -3.647 1.805 1.00 0.37 C ATOM 1251 O ARG A 77 -2.574 -2.749 2.424 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.490 -2.828 1.872 1.00 0.55 C ATOM 1253 CG ARG A 77 -6.757 -2.855 2.707 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.513 -4.160 2.570 1.00 0.79 C ATOM 1255 NE ARG A 77 -8.599 -4.233 3.546 1.00 1.24 N ATOM 1256 CZ ARG A 77 -9.622 -5.082 3.481 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -9.739 -5.918 2.454 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -10.519 -5.106 4.459 1.00 1.93 N ATOM 0 H ARG A 77 -4.994 -3.789 4.142 1.00 0.42 H new ATOM 0 HA ARG A 77 -4.879 -4.832 1.440 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -4.941 -1.912 2.091 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.762 -2.792 0.817 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -6.502 -2.695 3.754 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -7.404 -2.031 2.407 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.917 -4.248 1.562 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -6.831 -4.998 2.714 1.00 0.79 H new ATOM 0 HE ARG A 77 -8.571 -3.586 4.334 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -9.042 -5.912 1.709 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -10.526 -6.566 2.411 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -10.422 -4.476 5.255 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -11.305 -5.755 4.414 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.535 -4.338 0.856 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.128 -4.119 0.543 1.00 0.38 C ATOM 1274 C VAL A 78 -0.948 -3.783 -0.927 1.00 0.38 C ATOM 1275 O VAL A 78 -1.506 -4.456 -1.793 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.266 -5.358 0.868 1.00 0.43 C ATOM 1277 CG1 VAL A 78 1.153 -4.942 1.227 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -0.888 -6.190 1.976 1.00 0.88 C ATOM 0 H VAL A 78 -2.993 -5.052 0.289 1.00 0.33 H new ATOM 0 HA VAL A 78 -0.799 -3.284 1.162 1.00 0.38 H new ATOM 0 HB VAL A 78 -0.224 -5.982 -0.025 1.00 0.43 H new ATOM 0 HG11 VAL A 78 1.746 -5.828 1.453 1.00 0.95 H new ATOM 0 HG12 VAL A 78 1.600 -4.411 0.387 1.00 0.95 H new ATOM 0 HG13 VAL A 78 1.131 -4.288 2.099 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.256 -7.054 2.180 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -0.978 -5.585 2.878 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.877 -6.528 1.666 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.189 -2.733 -1.199 1.00 0.28 N ATOM 1289 CA ILE A 79 0.204 -2.395 -2.560 1.00 0.29 C ATOM 1290 C ILE A 79 1.730 -2.449 -2.670 1.00 0.28 C ATOM 1291 O ILE A 79 2.444 -1.973 -1.785 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.309 -0.994 -3.016 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -1.751 -1.062 -3.538 1.00 0.55 C ATOM 1294 CG2 ILE A 79 0.591 -0.423 -4.105 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -2.744 -1.636 -2.561 1.00 0.59 C ATOM 0 H ILE A 79 0.170 -2.095 -0.489 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.258 -3.127 -3.222 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.286 -0.343 -2.142 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.072 -0.057 -3.814 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -1.767 -1.663 -4.447 1.00 0.55 H new ATOM 0 HG21 ILE A 79 0.217 0.554 -4.410 1.00 0.45 H new ATOM 0 HG22 ILE A 79 1.606 -0.320 -3.721 1.00 0.45 H new ATOM 0 HG23 ILE A 79 0.594 -1.095 -4.964 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -3.736 -1.646 -3.014 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.453 -2.654 -2.302 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.763 -1.024 -1.659 1.00 0.59 H new ATOM 1307 N ILE A 80 2.220 -3.026 -3.752 1.00 0.31 N ATOM 1308 CA ILE A 80 3.655 -3.181 -3.954 1.00 0.32 C ATOM 1309 C ILE A 80 4.144 -2.216 -5.027 1.00 0.37 C ATOM 1310 O ILE A 80 3.671 -2.238 -6.159 1.00 0.46 O ATOM 1311 CB ILE A 80 4.029 -4.650 -4.320 1.00 0.37 C ATOM 1312 CG1 ILE A 80 5.180 -4.709 -5.336 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.818 -5.402 -4.846 1.00 0.47 C ATOM 1314 CD1 ILE A 80 5.573 -6.119 -5.729 1.00 0.45 C ATOM 0 H ILE A 80 1.646 -3.397 -4.509 1.00 0.31 H new ATOM 0 HA ILE A 80 4.153 -2.943 -3.014 1.00 0.32 H new ATOM 0 HB ILE A 80 4.370 -5.134 -3.405 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.891 -4.159 -6.231 1.00 0.40 H new ATOM 0 HG13 ILE A 80 6.049 -4.202 -4.917 1.00 0.40 H new ATOM 0 HG21 ILE A 80 3.104 -6.424 -5.094 1.00 0.47 H new ATOM 0 HG22 ILE A 80 2.040 -5.418 -4.083 1.00 0.47 H new ATOM 0 HG23 ILE A 80 2.440 -4.904 -5.739 1.00 0.47 H new ATOM 0 HD11 ILE A 80 6.391 -6.082 -6.448 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.894 -6.668 -4.843 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.717 -6.623 -6.178 1.00 0.45 H new ATOM 1326 N MET A 81 5.080 -1.356 -4.665 1.00 0.35 N ATOM 1327 CA MET A 81 5.629 -0.408 -5.626 1.00 0.43 C ATOM 1328 C MET A 81 7.088 -0.731 -5.889 1.00 0.45 C ATOM 1329 O MET A 81 7.841 0.063 -6.448 1.00 0.57 O ATOM 1330 CB MET A 81 5.449 1.030 -5.137 1.00 0.48 C ATOM 1331 CG MET A 81 6.035 1.303 -3.765 1.00 0.47 C ATOM 1332 SD MET A 81 5.375 2.819 -3.051 1.00 0.99 S ATOM 1333 CE MET A 81 6.182 2.808 -1.461 1.00 1.36 C ATOM 0 H MET A 81 5.473 -1.292 -3.726 1.00 0.35 H new ATOM 0 HA MET A 81 5.084 -0.498 -6.566 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.910 1.706 -5.857 1.00 0.48 H new ATOM 0 HB3 MET A 81 4.385 1.264 -5.117 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.819 0.464 -3.103 1.00 0.47 H new ATOM 0 HG3 MET A 81 7.120 1.378 -3.841 1.00 0.47 H new ATOM 0 HE1 MET A 81 5.465 2.523 -0.691 1.00 1.36 H new ATOM 0 HE2 MET A 81 7.004 2.092 -1.475 1.00 1.36 H new ATOM 0 HE3 MET A 81 6.571 3.803 -1.244 1.00 1.36 H new ATOM 1343 N THR A 82 7.458 -1.935 -5.495 1.00 0.39 N ATOM 1344 CA THR A 82 8.787 -2.442 -5.716 1.00 0.42 C ATOM 1345 C THR A 82 8.833 -3.188 -7.047 1.00 0.48 C ATOM 1346 O THR A 82 7.962 -2.986 -7.898 1.00 0.52 O ATOM 1347 CB THR A 82 9.212 -3.363 -4.555 1.00 0.40 C ATOM 1348 OG1 THR A 82 10.615 -3.599 -4.617 1.00 0.43 O ATOM 1349 CG2 THR A 82 8.466 -4.688 -4.567 1.00 0.44 C ATOM 0 H THR A 82 6.839 -2.586 -5.012 1.00 0.39 H new ATOM 0 HA THR A 82 9.488 -1.608 -5.755 1.00 0.42 H new ATOM 0 HB THR A 82 8.959 -2.855 -3.625 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.779 -4.531 -4.872 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.800 -5.301 -3.730 1.00 0.44 H new ATOM 0 HG22 THR A 82 7.395 -4.504 -4.477 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.667 -5.210 -5.503 1.00 0.44 H new ATOM 1357 N ALA A 83 9.841 -4.034 -7.231 1.00 0.54 N ATOM 1358 CA ALA A 83 9.953 -4.837 -8.436 1.00 0.64 C ATOM 1359 C ALA A 83 8.671 -5.637 -8.629 1.00 0.69 C ATOM 1360 O ALA A 83 8.446 -6.650 -7.977 1.00 0.74 O ATOM 1361 CB ALA A 83 11.170 -5.745 -8.358 1.00 0.77 C ATOM 0 H ALA A 83 10.593 -4.179 -6.557 1.00 0.54 H new ATOM 0 HA ALA A 83 10.088 -4.185 -9.299 1.00 0.64 H new ATOM 0 HB1 ALA A 83 11.239 -6.340 -9.269 1.00 0.77 H new ATOM 0 HB2 ALA A 83 12.070 -5.139 -8.251 1.00 0.77 H new ATOM 0 HB3 ALA A 83 11.075 -6.408 -7.498 1.00 0.77 H new ATOM 1367 N TYR A 84 7.809 -5.139 -9.500 1.00 0.75 N ATOM 1368 CA TYR A 84 6.471 -5.686 -9.650 1.00 0.93 C ATOM 1369 C TYR A 84 6.473 -6.985 -10.439 1.00 1.04 C ATOM 1370 O TYR A 84 5.419 -7.556 -10.708 1.00 1.38 O ATOM 1371 CB TYR A 84 5.541 -4.641 -10.277 1.00 1.14 C ATOM 1372 CG TYR A 84 5.659 -4.484 -11.781 1.00 1.02 C ATOM 1373 CD1 TYR A 84 6.841 -4.031 -12.351 1.00 1.17 C ATOM 1374 CD2 TYR A 84 4.606 -4.804 -12.627 1.00 1.23 C ATOM 1375 CE1 TYR A 84 6.970 -3.901 -13.720 1.00 1.68 C ATOM 1376 CE2 TYR A 84 4.725 -4.672 -13.999 1.00 1.55 C ATOM 1377 CZ TYR A 84 5.842 -4.170 -14.540 1.00 1.84 C ATOM 1378 OH TYR A 84 6.040 -4.100 -15.903 1.00 2.42 O ATOM 0 H TYR A 84 8.014 -4.353 -10.117 1.00 0.75 H new ATOM 0 HA TYR A 84 6.092 -5.931 -8.658 1.00 0.93 H new ATOM 0 HB2 TYR A 84 4.511 -4.905 -10.036 1.00 1.14 H new ATOM 0 HB3 TYR A 84 5.740 -3.676 -9.811 1.00 1.14 H new ATOM 0 HD1 TYR A 84 7.674 -3.776 -11.713 1.00 1.17 H new ATOM 0 HD2 TYR A 84 3.678 -5.162 -12.207 1.00 1.23 H new ATOM 0 HE1 TYR A 84 7.910 -3.601 -14.158 1.00 1.68 H new ATOM 0 HE2 TYR A 84 3.910 -4.976 -14.639 1.00 1.55 H new ATOM 0 HH TYR A 84 5.201 -4.304 -16.366 1.00 2.42 H new ATOM 1388 N GLY A 85 7.663 -7.460 -10.775 1.00 1.18 N ATOM 1389 CA GLY A 85 7.806 -8.801 -11.291 1.00 1.31 C ATOM 1390 C GLY A 85 7.781 -9.799 -10.152 1.00 1.26 C ATOM 1391 O GLY A 85 7.903 -11.003 -10.354 1.00 1.37 O ATOM 0 H GLY A 85 8.535 -6.936 -10.698 1.00 1.18 H new ATOM 0 HA2 GLY A 85 7.001 -9.017 -11.993 1.00 1.31 H new ATOM 0 HA3 GLY A 85 8.742 -8.889 -11.843 1.00 1.31 H new ATOM 1395 N GLU A 86 7.586 -9.276 -8.943 1.00 1.14 N ATOM 1396 CA GLU A 86 7.553 -10.082 -7.738 1.00 1.12 C ATOM 1397 C GLU A 86 6.178 -10.681 -7.557 1.00 1.14 C ATOM 1398 O GLU A 86 5.900 -11.367 -6.580 1.00 1.13 O ATOM 1399 CB GLU A 86 7.948 -9.253 -6.526 1.00 1.04 C ATOM 1400 CG GLU A 86 9.275 -9.678 -5.930 1.00 1.04 C ATOM 1401 CD GLU A 86 10.349 -9.847 -6.984 1.00 1.60 C ATOM 1402 OE1 GLU A 86 10.966 -8.832 -7.374 1.00 1.64 O ATOM 1403 OE2 GLU A 86 10.591 -10.986 -7.417 1.00 2.16 O ATOM 0 H GLU A 86 7.447 -8.279 -8.778 1.00 1.14 H new ATOM 0 HA GLU A 86 8.275 -10.893 -7.837 1.00 1.12 H new ATOM 0 HB2 GLU A 86 8.003 -8.203 -6.812 1.00 1.04 H new ATOM 0 HB3 GLU A 86 7.171 -9.336 -5.766 1.00 1.04 H new ATOM 0 HG2 GLU A 86 9.598 -8.935 -5.201 1.00 1.04 H new ATOM 0 HG3 GLU A 86 9.145 -10.617 -5.392 1.00 1.04 H new ATOM 1410 N LEU A 87 5.320 -10.424 -8.527 1.00 1.19 N ATOM 1411 CA LEU A 87 4.101 -11.212 -8.679 1.00 1.27 C ATOM 1412 C LEU A 87 4.495 -12.659 -8.948 1.00 1.27 C ATOM 1413 O LEU A 87 3.676 -13.573 -8.896 1.00 1.30 O ATOM 1414 CB LEU A 87 3.222 -10.657 -9.812 1.00 1.38 C ATOM 1415 CG LEU A 87 3.942 -10.315 -11.132 1.00 1.41 C ATOM 1416 CD1 LEU A 87 4.398 -11.564 -11.876 1.00 1.84 C ATOM 1417 CD2 LEU A 87 3.042 -9.475 -12.023 1.00 1.96 C ATOM 0 H LEU A 87 5.439 -9.683 -9.218 1.00 1.19 H new ATOM 0 HA LEU A 87 3.511 -11.157 -7.764 1.00 1.27 H new ATOM 0 HB2 LEU A 87 2.441 -11.386 -10.028 1.00 1.38 H new ATOM 0 HB3 LEU A 87 2.726 -9.757 -9.450 1.00 1.38 H new ATOM 0 HG LEU A 87 4.833 -9.742 -10.876 1.00 1.41 H new ATOM 0 HD11 LEU A 87 4.900 -11.275 -12.799 1.00 1.84 H new ATOM 0 HD12 LEU A 87 5.088 -12.129 -11.250 1.00 1.84 H new ATOM 0 HD13 LEU A 87 3.533 -12.183 -12.112 1.00 1.84 H new ATOM 0 HD21 LEU A 87 3.564 -9.242 -12.951 1.00 1.96 H new ATOM 0 HD22 LEU A 87 2.132 -10.031 -12.249 1.00 1.96 H new ATOM 0 HD23 LEU A 87 2.783 -8.549 -11.509 1.00 1.96 H new ATOM 1429 N ASP A 88 5.772 -12.830 -9.259 1.00 1.29 N ATOM 1430 CA ASP A 88 6.385 -14.138 -9.385 1.00 1.35 C ATOM 1431 C ASP A 88 6.831 -14.652 -8.017 1.00 1.29 C ATOM 1432 O ASP A 88 6.249 -15.585 -7.472 1.00 1.39 O ATOM 1433 CB ASP A 88 7.586 -14.053 -10.333 1.00 1.38 C ATOM 1434 CG ASP A 88 8.355 -15.354 -10.448 1.00 1.49 C ATOM 1435 OD1 ASP A 88 9.273 -15.583 -9.637 1.00 1.54 O ATOM 1436 OD2 ASP A 88 8.058 -16.141 -11.371 1.00 1.59 O ATOM 0 H ASP A 88 6.414 -12.057 -9.432 1.00 1.29 H new ATOM 0 HA ASP A 88 5.653 -14.835 -9.793 1.00 1.35 H new ATOM 0 HB2 ASP A 88 7.238 -13.756 -11.323 1.00 1.38 H new ATOM 0 HB3 ASP A 88 8.260 -13.271 -9.984 1.00 1.38 H new ATOM 1441 N MET A 89 7.838 -14.002 -7.447 1.00 1.17 N ATOM 1442 CA MET A 89 8.473 -14.484 -6.226 1.00 1.16 C ATOM 1443 C MET A 89 7.678 -14.115 -4.972 1.00 1.14 C ATOM 1444 O MET A 89 7.311 -14.988 -4.186 1.00 1.25 O ATOM 1445 CB MET A 89 9.891 -13.918 -6.129 1.00 1.11 C ATOM 1446 CG MET A 89 10.647 -14.348 -4.884 1.00 1.13 C ATOM 1447 SD MET A 89 12.279 -13.590 -4.784 1.00 1.46 S ATOM 1448 CE MET A 89 12.864 -14.228 -3.217 1.00 2.17 C ATOM 0 H MET A 89 8.234 -13.136 -7.812 1.00 1.17 H new ATOM 0 HA MET A 89 8.506 -15.572 -6.279 1.00 1.16 H new ATOM 0 HB2 MET A 89 10.455 -14.228 -7.009 1.00 1.11 H new ATOM 0 HB3 MET A 89 9.838 -12.829 -6.151 1.00 1.11 H new ATOM 0 HG2 MET A 89 10.069 -14.081 -3.999 1.00 1.13 H new ATOM 0 HG3 MET A 89 10.751 -15.433 -4.881 1.00 1.13 H new ATOM 0 HE1 MET A 89 13.865 -13.844 -3.019 1.00 2.17 H new ATOM 0 HE2 MET A 89 12.190 -13.912 -2.421 1.00 2.17 H new ATOM 0 HE3 MET A 89 12.894 -15.317 -3.256 1.00 2.17 H new ATOM 1458 N ALA A 90 7.388 -12.827 -4.806 1.00 1.06 N ATOM 1459 CA ALA A 90 6.780 -12.317 -3.578 1.00 1.05 C ATOM 1460 C ALA A 90 5.430 -12.953 -3.299 1.00 1.12 C ATOM 1461 O ALA A 90 5.111 -13.275 -2.152 1.00 1.17 O ATOM 1462 CB ALA A 90 6.634 -10.804 -3.642 1.00 0.99 C ATOM 0 H ALA A 90 7.566 -12.112 -5.512 1.00 1.06 H new ATOM 0 HA ALA A 90 7.448 -12.583 -2.759 1.00 1.05 H new ATOM 0 HB1 ALA A 90 6.180 -10.443 -2.719 1.00 0.99 H new ATOM 0 HB2 ALA A 90 7.617 -10.349 -3.765 1.00 0.99 H new ATOM 0 HB3 ALA A 90 6.001 -10.535 -4.488 1.00 0.99 H new ATOM 1468 N GLN A 91 4.644 -13.137 -4.349 1.00 1.19 N ATOM 1469 CA GLN A 91 3.305 -13.681 -4.204 1.00 1.31 C ATOM 1470 C GLN A 91 3.371 -15.120 -3.677 1.00 1.46 C ATOM 1471 O GLN A 91 2.669 -15.476 -2.731 1.00 1.51 O ATOM 1472 CB GLN A 91 2.541 -13.578 -5.545 1.00 1.40 C ATOM 1473 CG GLN A 91 2.523 -14.848 -6.384 1.00 1.68 C ATOM 1474 CD GLN A 91 1.288 -15.699 -6.147 1.00 1.84 C ATOM 1475 OE1 GLN A 91 0.696 -15.679 -5.068 1.00 2.24 O ATOM 1476 NE2 GLN A 91 0.897 -16.457 -7.154 1.00 2.42 N ATOM 0 H GLN A 91 4.911 -12.918 -5.309 1.00 1.19 H new ATOM 0 HA GLN A 91 2.751 -13.096 -3.470 1.00 1.31 H new ATOM 0 HB2 GLN A 91 1.512 -13.286 -5.336 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.986 -12.778 -6.137 1.00 1.40 H new ATOM 0 HG2 GLN A 91 2.576 -14.580 -7.439 1.00 1.68 H new ATOM 0 HG3 GLN A 91 3.412 -15.437 -6.160 1.00 1.68 H new ATOM 0 HE21 GLN A 91 1.415 -16.445 -8.033 1.00 2.42 H new ATOM 0 HE22 GLN A 91 0.077 -17.055 -7.054 1.00 2.42 H new ATOM 1485 N GLU A 92 4.263 -15.923 -4.254 1.00 1.57 N ATOM 1486 CA GLU A 92 4.382 -17.330 -3.890 1.00 1.80 C ATOM 1487 C GLU A 92 5.151 -17.502 -2.586 1.00 1.83 C ATOM 1488 O GLU A 92 5.063 -18.545 -1.936 1.00 2.04 O ATOM 1489 CB GLU A 92 5.057 -18.114 -5.014 1.00 1.91 C ATOM 1490 CG GLU A 92 4.362 -17.949 -6.355 1.00 1.96 C ATOM 1491 CD GLU A 92 4.931 -18.847 -7.430 1.00 2.13 C ATOM 1492 OE1 GLU A 92 6.109 -18.672 -7.803 1.00 2.12 O ATOM 1493 OE2 GLU A 92 4.194 -19.726 -7.919 1.00 2.44 O ATOM 0 H GLU A 92 4.915 -15.620 -4.978 1.00 1.57 H new ATOM 0 HA GLU A 92 3.377 -17.724 -3.739 1.00 1.80 H new ATOM 0 HB2 GLU A 92 6.093 -17.788 -5.106 1.00 1.91 H new ATOM 0 HB3 GLU A 92 5.078 -19.171 -4.750 1.00 1.91 H new ATOM 0 HG2 GLU A 92 3.300 -18.162 -6.236 1.00 1.96 H new ATOM 0 HG3 GLU A 92 4.445 -16.910 -6.676 1.00 1.96 H new ATOM 1500 N SER A 93 5.906 -16.474 -2.206 1.00 1.66 N ATOM 1501 CA SER A 93 6.698 -16.514 -0.978 1.00 1.77 C ATOM 1502 C SER A 93 5.823 -16.427 0.275 1.00 1.87 C ATOM 1503 O SER A 93 6.342 -16.335 1.389 1.00 2.13 O ATOM 1504 CB SER A 93 7.729 -15.386 -0.970 1.00 1.65 C ATOM 1505 OG SER A 93 8.662 -15.540 -2.026 1.00 1.98 O ATOM 0 H SER A 93 5.986 -15.603 -2.730 1.00 1.66 H new ATOM 0 HA SER A 93 7.211 -17.476 -0.959 1.00 1.77 H new ATOM 0 HB2 SER A 93 7.223 -14.426 -1.065 1.00 1.65 H new ATOM 0 HB3 SER A 93 8.254 -15.376 -0.015 1.00 1.65 H new ATOM 0 HG SER A 93 8.219 -15.364 -2.882 1.00 1.98 H new ATOM 1511 N LYS A 94 4.504 -16.436 0.090 1.00 1.73 N ATOM 1512 CA LYS A 94 3.574 -16.500 1.208 1.00 1.84 C ATOM 1513 C LYS A 94 2.152 -16.721 0.729 1.00 1.75 C ATOM 1514 O LYS A 94 1.624 -17.828 0.798 1.00 2.05 O ATOM 1515 CB LYS A 94 3.621 -15.237 2.056 1.00 1.74 C ATOM 1516 CG LYS A 94 3.661 -15.526 3.548 1.00 2.03 C ATOM 1517 CD LYS A 94 2.442 -16.299 4.033 1.00 2.19 C ATOM 1518 CE LYS A 94 1.194 -15.430 4.033 1.00 2.42 C ATOM 1519 NZ LYS A 94 0.005 -16.162 4.553 1.00 2.66 N ATOM 0 H LYS A 94 4.058 -16.400 -0.827 1.00 1.73 H new ATOM 0 HA LYS A 94 3.885 -17.346 1.820 1.00 1.84 H new ATOM 0 HB2 LYS A 94 4.499 -14.653 1.781 1.00 1.74 H new ATOM 0 HB3 LYS A 94 2.748 -14.623 1.833 1.00 1.74 H new ATOM 0 HG2 LYS A 94 4.562 -16.095 3.779 1.00 2.03 H new ATOM 0 HG3 LYS A 94 3.729 -14.585 4.094 1.00 2.03 H new ATOM 0 HD2 LYS A 94 2.282 -17.167 3.393 1.00 2.19 H new ATOM 0 HD3 LYS A 94 2.625 -16.675 5.040 1.00 2.19 H new ATOM 0 HE2 LYS A 94 1.369 -14.544 4.643 1.00 2.42 H new ATOM 0 HE3 LYS A 94 0.992 -15.085 3.019 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 -0.824 -15.534 4.536 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 -0.179 -16.994 3.957 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 0.186 -16.470 5.530 1.00 2.66 H new ATOM 1533 N GLU A 95 1.538 -15.665 0.231 1.00 1.51 N ATOM 1534 CA GLU A 95 0.113 -15.699 -0.039 1.00 1.57 C ATOM 1535 C GLU A 95 -0.251 -15.047 -1.368 1.00 1.40 C ATOM 1536 O GLU A 95 -0.423 -15.723 -2.379 1.00 1.80 O ATOM 1537 CB GLU A 95 -0.643 -14.997 1.091 1.00 1.57 C ATOM 1538 CG GLU A 95 -2.152 -15.137 0.997 1.00 1.70 C ATOM 1539 CD GLU A 95 -2.597 -16.574 1.139 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -2.615 -17.297 0.121 1.00 2.68 O ATOM 1541 OE2 GLU A 95 -2.903 -16.992 2.273 1.00 3.16 O ATOM 0 H GLU A 95 1.997 -14.782 0.007 1.00 1.51 H new ATOM 0 HA GLU A 95 -0.175 -16.749 -0.100 1.00 1.57 H new ATOM 0 HB2 GLU A 95 -0.309 -15.402 2.046 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -0.384 -13.938 1.086 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -2.621 -14.534 1.774 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -2.494 -14.745 0.039 1.00 1.70 H new ATOM 1548 N LEU A 96 -0.373 -13.728 -1.352 1.00 1.13 N ATOM 1549 CA LEU A 96 -0.980 -13.005 -2.452 1.00 1.44 C ATOM 1550 C LEU A 96 0.038 -12.200 -3.253 1.00 1.40 C ATOM 1551 O LEU A 96 -0.031 -12.141 -4.478 1.00 1.87 O ATOM 1552 CB LEU A 96 -2.029 -12.071 -1.869 1.00 1.74 C ATOM 1553 CG LEU A 96 -2.733 -11.153 -2.869 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -3.547 -11.965 -3.866 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -3.621 -10.158 -2.139 1.00 3.10 C ATOM 0 H LEU A 96 -0.057 -13.137 -0.583 1.00 1.13 H new ATOM 0 HA LEU A 96 -1.423 -13.724 -3.141 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -2.784 -12.673 -1.364 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -1.554 -11.452 -1.108 1.00 1.74 H new ATOM 0 HG LEU A 96 -1.973 -10.600 -3.421 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -4.039 -11.292 -4.568 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -2.887 -12.639 -4.412 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -4.299 -12.547 -3.333 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -4.115 -9.511 -2.864 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.372 -10.696 -1.561 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -3.013 -9.552 -1.468 1.00 3.10 H new ATOM 1567 N GLY A 97 0.987 -11.588 -2.556 1.00 1.08 N ATOM 1568 CA GLY A 97 1.910 -10.683 -3.211 1.00 1.10 C ATOM 1569 C GLY A 97 1.319 -9.293 -3.357 1.00 1.06 C ATOM 1570 O GLY A 97 1.673 -8.558 -4.280 1.00 1.72 O ATOM 0 H GLY A 97 1.133 -11.702 -1.553 1.00 1.08 H new ATOM 0 HA2 GLY A 97 2.835 -10.627 -2.637 1.00 1.10 H new ATOM 0 HA3 GLY A 97 2.168 -11.075 -4.195 1.00 1.10 H new ATOM 1574 N ALA A 98 0.408 -8.954 -2.434 1.00 0.73 N ATOM 1575 CA ALA A 98 -0.274 -7.658 -2.415 1.00 0.65 C ATOM 1576 C ALA A 98 -1.263 -7.528 -3.576 1.00 0.67 C ATOM 1577 O ALA A 98 -1.411 -8.444 -4.382 1.00 0.82 O ATOM 1578 CB ALA A 98 0.730 -6.514 -2.417 1.00 0.85 C ATOM 0 H ALA A 98 0.124 -9.576 -1.677 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.848 -7.600 -1.490 1.00 0.65 H new ATOM 0 HB1 ALA A 98 0.198 -5.563 -2.403 1.00 0.85 H new ATOM 0 HB2 ALA A 98 1.367 -6.587 -1.535 1.00 0.85 H new ATOM 0 HB3 ALA A 98 1.346 -6.572 -3.315 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.960 -6.399 -3.632 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.961 -6.164 -4.668 1.00 0.66 C ATOM 1586 C LEU A 99 -2.324 -5.537 -5.908 1.00 0.69 C ATOM 1587 O LEU A 99 -1.872 -6.235 -6.818 1.00 1.35 O ATOM 1588 CB LEU A 99 -4.081 -5.251 -4.144 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.861 -5.780 -2.933 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.835 -4.724 -2.425 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -5.604 -7.060 -3.293 1.00 1.05 C ATOM 0 H LEU A 99 -1.851 -5.630 -2.971 1.00 0.60 H new ATOM 0 HA LEU A 99 -3.389 -7.128 -4.942 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.645 -4.288 -3.879 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.786 -5.070 -4.955 1.00 0.68 H new ATOM 0 HG LEU A 99 -4.150 -6.007 -2.138 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -6.380 -5.115 -1.566 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -5.283 -3.832 -2.129 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -6.540 -4.468 -3.216 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -6.151 -7.420 -2.422 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -6.304 -6.859 -4.104 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -4.889 -7.819 -3.611 1.00 1.05 H new ATOM 1603 N THR A 100 -2.268 -4.214 -5.920 1.00 0.95 N ATOM 1604 CA THR A 100 -1.734 -3.478 -7.048 1.00 1.06 C ATOM 1605 C THR A 100 -0.214 -3.395 -6.957 1.00 0.67 C ATOM 1606 O THR A 100 0.349 -3.389 -5.861 1.00 0.60 O ATOM 1607 CB THR A 100 -2.319 -2.055 -7.085 1.00 1.56 C ATOM 1608 OG1 THR A 100 -3.657 -2.068 -6.565 1.00 2.07 O ATOM 1609 CG2 THR A 100 -2.334 -1.509 -8.503 1.00 2.16 C ATOM 0 H THR A 100 -2.590 -3.626 -5.151 1.00 0.95 H new ATOM 0 HA THR A 100 -2.012 -4.006 -7.960 1.00 1.06 H new ATOM 0 HB THR A 100 -1.689 -1.411 -6.472 1.00 1.56 H new ATOM 0 HG1 THR A 100 -4.026 -1.160 -6.588 1.00 2.07 H new ATOM 0 HG21 THR A 100 -2.752 -0.502 -8.501 1.00 2.16 H new ATOM 0 HG22 THR A 100 -1.316 -1.478 -8.892 1.00 2.16 H new ATOM 0 HG23 THR A 100 -2.945 -2.154 -9.135 1.00 2.16 H new ATOM 1617 N HIS A 101 0.452 -3.346 -8.103 1.00 0.68 N ATOM 1618 CA HIS A 101 1.903 -3.217 -8.125 1.00 0.87 C ATOM 1619 C HIS A 101 2.393 -2.482 -9.355 1.00 0.71 C ATOM 1620 O HIS A 101 1.748 -2.505 -10.402 1.00 1.08 O ATOM 1621 CB HIS A 101 2.605 -4.570 -8.037 1.00 1.65 C ATOM 1622 CG HIS A 101 1.987 -5.653 -8.867 1.00 2.50 C ATOM 1623 ND1 HIS A 101 1.967 -5.637 -10.245 1.00 3.21 N ATOM 1624 CD2 HIS A 101 1.365 -6.798 -8.497 1.00 3.16 C ATOM 1625 CE1 HIS A 101 1.355 -6.718 -10.686 1.00 3.89 C ATOM 1626 NE2 HIS A 101 0.980 -7.441 -9.647 1.00 3.83 N ATOM 0 H HIS A 101 0.015 -3.393 -9.023 1.00 0.68 H new ATOM 0 HA HIS A 101 2.157 -2.632 -7.241 1.00 0.87 H new ATOM 0 HB2 HIS A 101 3.644 -4.445 -8.343 1.00 1.65 H new ATOM 0 HB3 HIS A 101 2.616 -4.891 -6.995 1.00 1.65 H new ATOM 0 HD2 HIS A 101 1.202 -7.141 -7.486 1.00 3.16 H new ATOM 0 HE1 HIS A 101 1.188 -6.970 -11.723 1.00 3.89 H new ATOM 0 HE2 HIS A 101 0.485 -8.332 -9.692 1.00 3.83 H new ATOM 1635 N PHE A 102 3.572 -1.890 -9.220 1.00 0.78 N ATOM 1636 CA PHE A 102 4.160 -1.059 -10.266 1.00 0.90 C ATOM 1637 C PHE A 102 5.560 -0.617 -9.838 1.00 0.85 C ATOM 1638 O PHE A 102 5.713 0.078 -8.840 1.00 0.97 O ATOM 1639 CB PHE A 102 3.270 0.161 -10.526 1.00 1.33 C ATOM 1640 CG PHE A 102 3.436 0.758 -11.891 1.00 1.91 C ATOM 1641 CD1 PHE A 102 3.130 0.025 -13.023 1.00 2.71 C ATOM 1642 CD2 PHE A 102 3.917 2.048 -12.039 1.00 2.47 C ATOM 1643 CE1 PHE A 102 3.297 0.569 -14.279 1.00 3.59 C ATOM 1644 CE2 PHE A 102 4.089 2.597 -13.293 1.00 3.31 C ATOM 1645 CZ PHE A 102 3.711 1.869 -14.419 1.00 3.75 C ATOM 0 H PHE A 102 4.149 -1.971 -8.383 1.00 0.78 H new ATOM 0 HA PHE A 102 4.236 -1.635 -11.189 1.00 0.90 H new ATOM 0 HB2 PHE A 102 2.228 -0.127 -10.391 1.00 1.33 H new ATOM 0 HB3 PHE A 102 3.489 0.923 -9.778 1.00 1.33 H new ATOM 0 HD1 PHE A 102 2.757 -0.983 -12.922 1.00 2.71 H new ATOM 0 HD2 PHE A 102 4.160 2.631 -11.163 1.00 2.47 H new ATOM 0 HE1 PHE A 102 3.101 -0.031 -15.156 1.00 3.59 H new ATOM 0 HE2 PHE A 102 4.514 3.584 -13.401 1.00 3.31 H new ATOM 0 HZ PHE A 102 3.744 2.326 -15.397 1.00 3.75 H new ATOM 1655 N ALA A 103 6.577 -1.035 -10.591 1.00 0.85 N ATOM 1656 CA ALA A 103 7.968 -0.783 -10.215 1.00 0.92 C ATOM 1657 C ALA A 103 8.507 0.507 -10.818 1.00 1.01 C ATOM 1658 O ALA A 103 9.636 0.911 -10.536 1.00 1.27 O ATOM 1659 CB ALA A 103 8.839 -1.948 -10.649 1.00 1.00 C ATOM 0 H ALA A 103 6.464 -1.549 -11.465 1.00 0.85 H new ATOM 0 HA ALA A 103 7.995 -0.676 -9.131 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.874 -1.754 -10.366 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.495 -2.861 -10.163 1.00 1.00 H new ATOM 0 HB3 ALA A 103 8.775 -2.067 -11.731 1.00 1.00 H new ATOM 1733 N ILE A 108 1.564 10.473 -8.383 1.00 1.00 N ATOM 1734 CA ILE A 108 0.740 10.306 -7.185 1.00 0.93 C ATOM 1735 C ILE A 108 -0.753 10.301 -7.533 1.00 0.89 C ATOM 1736 O ILE A 108 -1.565 9.709 -6.816 1.00 0.79 O ATOM 1737 CB ILE A 108 1.017 11.380 -6.101 1.00 1.00 C ATOM 1738 CG1 ILE A 108 0.570 12.788 -6.539 1.00 0.97 C ATOM 1739 CG2 ILE A 108 2.490 11.381 -5.722 1.00 1.25 C ATOM 1740 CD1 ILE A 108 1.407 13.405 -7.641 1.00 1.29 C ATOM 0 HA ILE A 108 1.020 9.339 -6.768 1.00 0.93 H new ATOM 0 HB ILE A 108 0.422 11.116 -5.227 1.00 1.00 H new ATOM 0 HG12 ILE A 108 -0.466 12.737 -6.874 1.00 0.97 H new ATOM 0 HG13 ILE A 108 0.593 13.448 -5.672 1.00 0.97 H new ATOM 0 HG21 ILE A 108 2.669 12.140 -4.960 1.00 1.25 H new ATOM 0 HG22 ILE A 108 2.766 10.402 -5.331 1.00 1.25 H new ATOM 0 HG23 ILE A 108 3.092 11.602 -6.603 1.00 1.25 H new ATOM 0 HD11 ILE A 108 1.018 14.394 -7.883 1.00 1.29 H new ATOM 0 HD12 ILE A 108 2.441 13.493 -7.307 1.00 1.29 H new ATOM 0 HD13 ILE A 108 1.365 12.772 -8.527 1.00 1.29 H new ATOM 1752 N ASP A 109 -1.104 10.941 -8.645 1.00 1.01 N ATOM 1753 CA ASP A 109 -2.470 10.930 -9.142 1.00 1.07 C ATOM 1754 C ASP A 109 -2.949 9.499 -9.337 1.00 1.02 C ATOM 1755 O ASP A 109 -4.102 9.172 -9.059 1.00 1.00 O ATOM 1756 CB ASP A 109 -2.537 11.669 -10.469 1.00 1.27 C ATOM 1757 CG ASP A 109 -3.958 11.951 -10.904 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -4.523 12.974 -10.464 1.00 1.84 O ATOM 1759 OD2 ASP A 109 -4.518 11.156 -11.683 1.00 1.92 O ATOM 0 H ASP A 109 -0.454 11.476 -9.220 1.00 1.01 H new ATOM 0 HA ASP A 109 -3.112 11.424 -8.413 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -1.993 12.610 -10.385 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -2.036 11.078 -11.236 1.00 1.27 H new ATOM 1764 N GLU A 110 -2.041 8.649 -9.795 1.00 1.04 N ATOM 1765 CA GLU A 110 -2.329 7.243 -9.982 1.00 1.04 C ATOM 1766 C GLU A 110 -2.732 6.595 -8.662 1.00 0.93 C ATOM 1767 O GLU A 110 -3.635 5.765 -8.620 1.00 0.95 O ATOM 1768 CB GLU A 110 -1.099 6.534 -10.535 1.00 1.14 C ATOM 1769 CG GLU A 110 -0.653 7.030 -11.901 1.00 1.12 C ATOM 1770 CD GLU A 110 -1.748 6.956 -12.941 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -1.869 5.910 -13.611 1.00 2.07 O ATOM 1772 OE2 GLU A 110 -2.475 7.953 -13.116 1.00 2.06 O ATOM 0 H GLU A 110 -1.089 8.918 -10.045 1.00 1.04 H new ATOM 0 HA GLU A 110 -3.156 7.153 -10.686 1.00 1.04 H new ATOM 0 HB2 GLU A 110 -0.276 6.656 -9.831 1.00 1.14 H new ATOM 0 HB3 GLU A 110 -1.308 5.466 -10.599 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -0.311 8.061 -11.814 1.00 1.12 H new ATOM 0 HG3 GLU A 110 0.200 6.439 -12.236 1.00 1.12 H new ATOM 1779 N ILE A 111 -2.072 6.995 -7.577 1.00 0.83 N ATOM 1780 CA ILE A 111 -2.301 6.368 -6.293 1.00 0.75 C ATOM 1781 C ILE A 111 -3.635 6.813 -5.697 1.00 0.70 C ATOM 1782 O ILE A 111 -4.360 5.996 -5.134 1.00 0.71 O ATOM 1783 CB ILE A 111 -1.129 6.618 -5.312 1.00 0.76 C ATOM 1784 CG1 ILE A 111 -0.946 5.386 -4.432 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.335 7.858 -4.447 1.00 0.75 C ATOM 1786 CD1 ILE A 111 -0.426 4.178 -5.182 1.00 1.61 C ATOM 0 H ILE A 111 -1.381 7.745 -7.568 1.00 0.83 H new ATOM 0 HA ILE A 111 -2.352 5.292 -6.459 1.00 0.75 H new ATOM 0 HB ILE A 111 -0.233 6.800 -5.905 1.00 0.76 H new ATOM 0 HG12 ILE A 111 -0.255 5.626 -3.624 1.00 1.24 H new ATOM 0 HG13 ILE A 111 -1.901 5.134 -3.971 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.482 7.982 -3.780 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -1.427 8.736 -5.086 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -2.244 7.743 -3.856 1.00 0.75 H new ATOM 0 HD11 ILE A 111 -0.320 3.340 -4.493 1.00 1.61 H new ATOM 0 HD12 ILE A 111 -1.127 3.912 -5.973 1.00 1.61 H new ATOM 0 HD13 ILE A 111 0.544 4.412 -5.620 1.00 1.61 H new ATOM 1798 N ARG A 112 -3.986 8.089 -5.861 1.00 0.72 N ATOM 1799 CA ARG A 112 -5.262 8.574 -5.347 1.00 0.75 C ATOM 1800 C ARG A 112 -6.405 7.966 -6.154 1.00 0.81 C ATOM 1801 O ARG A 112 -7.430 7.553 -5.598 1.00 0.85 O ATOM 1802 CB ARG A 112 -5.344 10.110 -5.357 1.00 0.85 C ATOM 1803 CG ARG A 112 -5.277 10.744 -6.731 1.00 1.09 C ATOM 1804 CD ARG A 112 -5.668 12.209 -6.668 1.00 1.50 C ATOM 1805 NE ARG A 112 -5.821 12.795 -7.997 1.00 1.51 N ATOM 1806 CZ ARG A 112 -6.829 13.586 -8.357 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -7.772 13.923 -7.484 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -6.882 14.045 -9.599 1.00 2.25 N ATOM 0 H ARG A 112 -3.417 8.790 -6.335 1.00 0.72 H new ATOM 0 HA ARG A 112 -5.347 8.260 -4.306 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -6.275 10.413 -4.878 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -4.530 10.507 -4.750 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -4.268 10.649 -7.131 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -5.942 10.215 -7.414 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -6.603 12.311 -6.118 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -4.910 12.762 -6.113 1.00 1.50 H new ATOM 0 HE ARG A 112 -5.108 12.584 -8.695 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -7.728 13.575 -6.526 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -8.540 14.530 -7.771 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -6.155 13.791 -10.268 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -7.650 14.652 -9.886 1.00 2.25 H new ATOM 1822 N ASP A 113 -6.204 7.875 -7.463 1.00 0.86 N ATOM 1823 CA ASP A 113 -7.201 7.293 -8.344 1.00 0.94 C ATOM 1824 C ASP A 113 -7.388 5.821 -8.020 1.00 0.93 C ATOM 1825 O ASP A 113 -8.503 5.367 -7.819 1.00 0.98 O ATOM 1826 CB ASP A 113 -6.792 7.466 -9.807 1.00 1.05 C ATOM 1827 CG ASP A 113 -7.873 7.016 -10.769 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -8.992 7.575 -10.729 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -7.620 6.077 -11.555 1.00 1.23 O ATOM 0 H ASP A 113 -5.359 8.197 -7.935 1.00 0.86 H new ATOM 0 HA ASP A 113 -8.147 7.811 -8.188 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -6.557 8.514 -9.994 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -5.882 6.897 -9.996 1.00 1.05 H new ATOM 1834 N ALA A 114 -6.284 5.093 -7.919 1.00 0.92 N ATOM 1835 CA ALA A 114 -6.333 3.655 -7.693 1.00 0.95 C ATOM 1836 C ALA A 114 -6.887 3.295 -6.315 1.00 0.91 C ATOM 1837 O ALA A 114 -7.476 2.231 -6.158 1.00 0.95 O ATOM 1838 CB ALA A 114 -4.956 3.040 -7.882 1.00 1.03 C ATOM 0 H ALA A 114 -5.341 5.476 -7.990 1.00 0.92 H new ATOM 0 HA ALA A 114 -7.019 3.242 -8.433 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -5.011 1.965 -7.709 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -4.610 3.227 -8.899 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -4.258 3.486 -7.174 1.00 1.03 H new ATOM 1844 N VAL A 115 -6.700 4.156 -5.314 1.00 0.89 N ATOM 1845 CA VAL A 115 -7.254 3.872 -3.987 1.00 1.01 C ATOM 1846 C VAL A 115 -8.748 4.189 -3.927 1.00 1.06 C ATOM 1847 O VAL A 115 -9.487 3.553 -3.179 1.00 1.17 O ATOM 1848 CB VAL A 115 -6.519 4.606 -2.838 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -5.065 4.166 -2.764 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.625 6.118 -2.975 1.00 1.13 C ATOM 0 H VAL A 115 -6.184 5.033 -5.390 1.00 0.89 H new ATOM 0 HA VAL A 115 -7.101 2.803 -3.835 1.00 1.01 H new ATOM 0 HB VAL A 115 -7.010 4.331 -1.904 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -4.566 4.693 -1.951 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -5.019 3.092 -2.583 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -4.567 4.397 -3.705 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -6.097 6.596 -2.150 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -6.180 6.430 -3.920 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -7.674 6.413 -2.953 1.00 1.13 H new ATOM 1860 N LYS A 116 -9.199 5.165 -4.713 1.00 1.06 N ATOM 1861 CA LYS A 116 -10.627 5.462 -4.788 1.00 1.22 C ATOM 1862 C LYS A 116 -11.339 4.487 -5.724 1.00 1.24 C ATOM 1863 O LYS A 116 -12.486 4.102 -5.483 1.00 1.48 O ATOM 1864 CB LYS A 116 -10.864 6.910 -5.224 1.00 1.30 C ATOM 1865 CG LYS A 116 -10.496 7.918 -4.147 1.00 2.03 C ATOM 1866 CD LYS A 116 -11.307 7.677 -2.883 1.00 2.39 C ATOM 1867 CE LYS A 116 -10.810 8.515 -1.720 1.00 3.01 C ATOM 1868 NZ LYS A 116 -11.587 8.249 -0.481 1.00 3.72 N ATOM 0 H LYS A 116 -8.607 5.755 -5.298 1.00 1.06 H new ATOM 0 HA LYS A 116 -11.048 5.339 -3.790 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -10.280 7.115 -6.121 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -11.913 7.037 -5.491 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -9.432 7.844 -3.922 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -10.675 8.929 -4.512 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -12.355 7.909 -3.075 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -11.257 6.621 -2.616 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -9.756 8.302 -1.542 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -10.883 9.572 -1.976 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -11.220 8.839 0.293 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -12.589 8.476 -0.644 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -11.497 7.245 -0.224 1.00 3.72 H new ATOM 1882 N LYS A 117 -10.648 4.084 -6.781 1.00 1.07 N ATOM 1883 CA LYS A 117 -11.155 3.075 -7.701 1.00 1.13 C ATOM 1884 C LYS A 117 -11.061 1.695 -7.059 1.00 1.02 C ATOM 1885 O LYS A 117 -11.876 0.812 -7.325 1.00 1.07 O ATOM 1886 CB LYS A 117 -10.344 3.086 -9.005 1.00 1.24 C ATOM 1887 CG LYS A 117 -10.480 4.359 -9.835 1.00 1.58 C ATOM 1888 CD LYS A 117 -11.764 4.396 -10.653 1.00 2.03 C ATOM 1889 CE LYS A 117 -12.988 4.707 -9.808 1.00 2.71 C ATOM 1890 NZ LYS A 117 -14.224 4.759 -10.631 1.00 3.47 N ATOM 0 H LYS A 117 -9.725 4.445 -7.024 1.00 1.07 H new ATOM 0 HA LYS A 117 -12.197 3.303 -7.927 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -9.292 2.938 -8.763 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -10.653 2.237 -9.615 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -10.452 5.224 -9.172 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -9.625 4.443 -10.506 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -11.669 5.147 -11.438 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -11.903 3.434 -11.147 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -13.098 3.948 -9.033 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -12.848 5.662 -9.301 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -15.039 4.973 -10.021 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -14.129 5.500 -11.354 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -14.371 3.840 -11.095 1.00 3.47 H new ATOM 1904 N TYR A 118 -10.061 1.551 -6.195 1.00 0.95 N ATOM 1905 CA TYR A 118 -9.696 0.280 -5.582 1.00 0.95 C ATOM 1906 C TYR A 118 -9.417 -0.759 -6.659 1.00 1.19 C ATOM 1907 O TYR A 118 -10.127 -1.759 -6.785 1.00 1.58 O ATOM 1908 CB TYR A 118 -10.761 -0.216 -4.597 1.00 1.75 C ATOM 1909 CG TYR A 118 -10.168 -0.631 -3.268 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -9.404 -1.787 -3.156 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -10.355 0.143 -2.129 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -8.845 -2.161 -1.948 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -9.798 -0.221 -0.919 1.00 2.86 C ATOM 1914 CZ TYR A 118 -9.046 -1.373 -0.832 1.00 2.77 C ATOM 1915 OH TYR A 118 -8.491 -1.738 0.373 1.00 3.35 O ATOM 0 H TYR A 118 -9.472 2.328 -5.897 1.00 0.95 H new ATOM 0 HA TYR A 118 -8.787 0.440 -5.002 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -11.496 0.572 -4.434 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -11.292 -1.061 -5.035 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -9.244 -2.404 -4.028 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -10.946 1.045 -2.191 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -8.255 -3.063 -1.878 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -9.951 0.394 -0.045 1.00 2.86 H new ATOM 0 HH TYR A 118 -9.130 -1.561 1.095 1.00 3.35 H new