USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 35 THR OG1 : rot 112:sc= 1.48 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -174:sc= -0.596 (180deg=-1.31) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.867 K(o=-0.87,f=-7.3!) USER MOD Single : A 5 ASN : amide:sc= -0.634 K(o=-0.63,f=0.05) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0337) USER MOD Single : A 34 ASN : amide:sc= -2.79 X(o=-2.8,f=-2.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.18) USER MOD Single : A 61 ASN : amide:sc= -2.12 K(o=-2.1,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.6) USER MOD Single : A 82 MET CE :methyl 157:sc= -0.423 (180deg=-1.43!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0814 X(o=-0.081,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -140:sc=-0.000477 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 1.17 (180deg=1.08) USER MOD Single : A 91 SER OG : rot 115:sc= -0.217 USER MOD Single : A 92 ASN : amide:sc= -4.76! C(o=-4.8!,f=-11!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.689 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -2.33! K(o=-2.3!,f=0.29) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.654 -2.072 -1.064 1.00 13.01 N ATOM 9 CA SER A 2 5.559 -2.869 -0.244 1.00 33.12 C ATOM 10 C SER A 2 5.202 -4.350 -0.323 1.00 33.24 C ATOM 11 O SER A 2 4.789 -4.955 0.667 1.00 3.21 O ATOM 12 CB SER A 2 5.511 -2.398 1.211 1.00 34.34 C ATOM 13 OG SER A 2 6.636 -2.864 1.935 1.00 51.53 O ATOM 0 HA SER A 2 6.570 -2.736 -0.628 1.00 33.12 H new ATOM 0 HB2 SER A 2 5.480 -1.309 1.243 1.00 34.34 H new ATOM 0 HB3 SER A 2 4.597 -2.757 1.683 1.00 34.34 H new ATOM 0 HG SER A 2 6.583 -2.548 2.861 1.00 51.53 H new ATOM 19 N ALA A 3 5.363 -4.929 -1.508 1.00 75.34 N ATOM 20 CA ALA A 3 5.060 -6.339 -1.719 1.00 14.41 C ATOM 21 C ALA A 3 3.650 -6.675 -1.242 1.00 2.41 C ATOM 22 O ALA A 3 3.467 -7.202 -0.145 1.00 31.01 O ATOM 23 CB ALA A 3 6.082 -7.210 -1.003 1.00 62.44 C ATOM 0 H ALA A 3 5.702 -4.442 -2.338 1.00 75.34 H new ATOM 0 HA ALA A 3 5.111 -6.541 -2.789 1.00 14.41 H new ATOM 0 HB1 ALA A 3 5.844 -8.261 -1.169 1.00 62.44 H new ATOM 0 HB2 ALA A 3 7.078 -6.998 -1.392 1.00 62.44 H new ATOM 0 HB3 ALA A 3 6.057 -6.996 0.066 1.00 62.44 H new ATOM 29 N GLN A 4 2.660 -6.365 -2.072 1.00 62.33 N ATOM 30 CA GLN A 4 1.267 -6.633 -1.734 1.00 5.32 C ATOM 31 C GLN A 4 0.831 -7.996 -2.262 1.00 44.42 C ATOM 32 O GLN A 4 1.173 -8.376 -3.380 1.00 23.32 O ATOM 33 CB GLN A 4 0.362 -5.539 -2.302 1.00 2.24 C ATOM 34 CG GLN A 4 -0.665 -5.022 -1.308 1.00 63.14 C ATOM 35 CD GLN A 4 -1.988 -5.757 -1.402 1.00 52.44 C ATOM 36 OE1 GLN A 4 -2.025 -6.968 -1.616 1.00 24.33 O ATOM 37 NE2 GLN A 4 -3.085 -5.025 -1.242 1.00 5.51 N ATOM 0 H GLN A 4 2.796 -5.928 -2.984 1.00 62.33 H new ATOM 0 HA GLN A 4 1.178 -6.639 -0.648 1.00 5.32 H new ATOM 0 HB2 GLN A 4 0.980 -4.707 -2.639 1.00 2.24 H new ATOM 0 HB3 GLN A 4 -0.157 -5.927 -3.179 1.00 2.24 H new ATOM 0 HG2 GLN A 4 -0.269 -5.121 -0.297 1.00 63.14 H new ATOM 0 HG3 GLN A 4 -0.831 -3.959 -1.482 1.00 63.14 H new ATOM 0 HE21 GLN A 4 -3.008 -4.023 -1.066 1.00 5.51 H new ATOM 0 HE22 GLN A 4 -4.004 -5.465 -1.295 1.00 5.51 H new ATOM 46 N ASN A 5 0.075 -8.726 -1.449 1.00 1.13 N ATOM 47 CA ASN A 5 -0.407 -10.047 -1.834 1.00 1.20 C ATOM 48 C ASN A 5 -1.675 -9.939 -2.677 1.00 44.31 C ATOM 49 O ASN A 5 -2.688 -9.405 -2.226 1.00 12.21 O ATOM 50 CB ASN A 5 -0.679 -10.896 -0.591 1.00 73.34 C ATOM 51 CG ASN A 5 0.376 -10.705 0.482 1.00 74.21 C ATOM 52 OD1 ASN A 5 1.345 -11.461 0.555 1.00 1.42 O ATOM 53 ND2 ASN A 5 0.191 -9.692 1.320 1.00 72.44 N ATOM 0 H ASN A 5 -0.217 -8.425 -0.519 1.00 1.13 H new ATOM 0 HA ASN A 5 0.367 -10.528 -2.432 1.00 1.20 H new ATOM 0 HB2 ASN A 5 -1.657 -10.638 -0.185 1.00 73.34 H new ATOM 0 HB3 ASN A 5 -0.719 -11.948 -0.874 1.00 73.34 H new ATOM 0 HD21 ASN A 5 0.867 -9.514 2.063 1.00 72.44 H new ATOM 0 HD22 ASN A 5 -0.627 -9.091 1.221 1.00 72.44 H new ATOM 60 N ILE A 6 -1.609 -10.450 -3.902 1.00 52.11 N ATOM 61 CA ILE A 6 -2.751 -10.413 -4.806 1.00 51.03 C ATOM 62 C ILE A 6 -3.081 -11.805 -5.333 1.00 65.14 C ATOM 63 O ILE A 6 -2.231 -12.477 -5.918 1.00 23.31 O ATOM 64 CB ILE A 6 -2.495 -9.472 -5.999 1.00 3.51 C ATOM 65 CG1 ILE A 6 -2.049 -8.095 -5.503 1.00 54.35 C ATOM 66 CG2 ILE A 6 -3.744 -9.354 -6.858 1.00 61.24 C ATOM 67 CD1 ILE A 6 -3.092 -7.388 -4.665 1.00 20.54 C ATOM 0 H ILE A 6 -0.777 -10.894 -4.291 1.00 52.11 H new ATOM 0 HA ILE A 6 -3.596 -10.035 -4.231 1.00 51.03 H new ATOM 0 HB ILE A 6 -1.697 -9.893 -6.611 1.00 3.51 H new ATOM 0 HG12 ILE A 6 -1.137 -8.207 -4.916 1.00 54.35 H new ATOM 0 HG13 ILE A 6 -1.801 -7.471 -6.362 1.00 54.35 H new ATOM 0 HG21 ILE A 6 -3.547 -8.686 -7.696 1.00 61.24 H new ATOM 0 HG22 ILE A 6 -4.020 -10.339 -7.235 1.00 61.24 H new ATOM 0 HG23 ILE A 6 -4.561 -8.953 -6.259 1.00 61.24 H new ATOM 0 HD11 ILE A 6 -2.708 -6.418 -4.348 1.00 20.54 H new ATOM 0 HD12 ILE A 6 -3.997 -7.244 -5.255 1.00 20.54 H new ATOM 0 HD13 ILE A 6 -3.324 -7.991 -3.787 1.00 20.54 H new ATOM 79 N THR A 7 -4.322 -12.232 -5.125 1.00 34.12 N ATOM 80 CA THR A 7 -4.766 -13.544 -5.580 1.00 13.34 C ATOM 81 C THR A 7 -5.419 -13.458 -6.954 1.00 21.01 C ATOM 82 O THR A 7 -6.157 -12.517 -7.243 1.00 52.04 O ATOM 83 CB THR A 7 -5.762 -14.175 -4.589 1.00 13.44 C ATOM 84 OG1 THR A 7 -6.878 -13.299 -4.391 1.00 23.25 O ATOM 85 CG2 THR A 7 -5.090 -14.459 -3.253 1.00 72.31 C ATOM 0 H THR A 7 -5.038 -11.688 -4.644 1.00 34.12 H new ATOM 0 HA THR A 7 -3.878 -14.174 -5.642 1.00 13.34 H new ATOM 0 HB THR A 7 -6.111 -15.118 -5.010 1.00 13.44 H new ATOM 0 HG1 THR A 7 -7.507 -13.708 -3.761 1.00 23.25 H new ATOM 0 HG21 THR A 7 -5.813 -14.904 -2.569 1.00 72.31 H new ATOM 0 HG22 THR A 7 -4.260 -15.149 -3.403 1.00 72.31 H new ATOM 0 HG23 THR A 7 -4.716 -13.527 -2.829 1.00 72.31 H new ATOM 93 N ALA A 8 -5.144 -14.447 -7.799 1.00 14.34 N ATOM 94 CA ALA A 8 -5.708 -14.484 -9.142 1.00 74.22 C ATOM 95 C ALA A 8 -6.046 -15.912 -9.556 1.00 55.23 C ATOM 96 O ALA A 8 -5.601 -16.873 -8.929 1.00 10.43 O ATOM 97 CB ALA A 8 -4.742 -13.859 -10.137 1.00 53.44 C ATOM 0 H ALA A 8 -4.534 -15.233 -7.576 1.00 14.34 H new ATOM 0 HA ALA A 8 -6.632 -13.906 -9.137 1.00 74.22 H new ATOM 0 HB1 ALA A 8 -5.176 -13.893 -11.136 1.00 53.44 H new ATOM 0 HB2 ALA A 8 -4.553 -12.822 -9.859 1.00 53.44 H new ATOM 0 HB3 ALA A 8 -3.803 -14.413 -10.130 1.00 53.44 H new ATOM 103 N ARG A 9 -6.838 -16.043 -10.616 1.00 32.20 N ATOM 104 CA ARG A 9 -7.237 -17.355 -11.112 1.00 53.23 C ATOM 105 C ARG A 9 -6.878 -17.510 -12.587 1.00 65.40 C ATOM 106 O ARG A 9 -6.860 -16.535 -13.338 1.00 12.41 O ATOM 107 CB ARG A 9 -8.741 -17.560 -10.918 1.00 72.52 C ATOM 108 CG ARG A 9 -9.138 -17.823 -9.475 1.00 13.01 C ATOM 109 CD ARG A 9 -9.099 -16.550 -8.646 1.00 45.53 C ATOM 110 NE ARG A 9 -10.374 -16.287 -7.985 1.00 13.43 N ATOM 111 CZ ARG A 9 -10.585 -15.252 -7.179 1.00 61.02 C ATOM 112 NH1 ARG A 9 -9.611 -14.386 -6.937 1.00 41.31 N ATOM 113 NH2 ARG A 9 -11.773 -15.081 -6.614 1.00 53.14 N ATOM 0 H ARG A 9 -7.215 -15.258 -11.147 1.00 32.20 H new ATOM 0 HA ARG A 9 -6.697 -18.112 -10.543 1.00 53.23 H new ATOM 0 HB2 ARG A 9 -9.269 -16.676 -11.276 1.00 72.52 H new ATOM 0 HB3 ARG A 9 -9.068 -18.398 -11.534 1.00 72.52 H new ATOM 0 HG2 ARG A 9 -10.141 -18.248 -9.444 1.00 13.01 H new ATOM 0 HG3 ARG A 9 -8.465 -18.562 -9.040 1.00 13.01 H new ATOM 0 HD2 ARG A 9 -8.312 -16.630 -7.896 1.00 45.53 H new ATOM 0 HD3 ARG A 9 -8.843 -15.707 -9.288 1.00 45.53 H new ATOM 0 HE ARG A 9 -11.145 -16.933 -8.151 1.00 13.43 H new ATOM 0 HH11 ARG A 9 -8.696 -14.513 -7.370 1.00 41.31 H new ATOM 0 HH12 ARG A 9 -9.776 -13.592 -6.318 1.00 41.31 H new ATOM 0 HH21 ARG A 9 -12.526 -15.744 -6.798 1.00 53.14 H new ATOM 0 HH22 ARG A 9 -11.934 -14.286 -5.995 1.00 53.14 H new ATOM 127 N ILE A 10 -6.591 -18.742 -12.994 1.00 73.41 N ATOM 128 CA ILE A 10 -6.233 -19.025 -14.379 1.00 53.20 C ATOM 129 C ILE A 10 -7.352 -18.616 -15.330 1.00 60.22 C ATOM 130 O ILE A 10 -8.475 -19.107 -15.232 1.00 73.32 O ATOM 131 CB ILE A 10 -5.919 -20.519 -14.585 1.00 34.11 C ATOM 132 CG1 ILE A 10 -4.701 -20.926 -13.755 1.00 1.51 C ATOM 133 CG2 ILE A 10 -5.685 -20.812 -16.060 1.00 34.14 C ATOM 134 CD1 ILE A 10 -4.600 -22.417 -13.520 1.00 20.01 C ATOM 0 H ILE A 10 -6.599 -19.560 -12.385 1.00 73.41 H new ATOM 0 HA ILE A 10 -5.340 -18.441 -14.600 1.00 53.20 H new ATOM 0 HB ILE A 10 -6.775 -21.105 -14.250 1.00 34.11 H new ATOM 0 HG12 ILE A 10 -3.797 -20.584 -14.259 1.00 1.51 H new ATOM 0 HG13 ILE A 10 -4.741 -20.417 -12.792 1.00 1.51 H new ATOM 0 HG21 ILE A 10 -5.464 -21.871 -16.190 1.00 34.14 H new ATOM 0 HG22 ILE A 10 -6.579 -20.555 -16.628 1.00 34.14 H new ATOM 0 HG23 ILE A 10 -4.844 -20.219 -16.420 1.00 34.14 H new ATOM 0 HD11 ILE A 10 -3.713 -22.632 -12.925 1.00 20.01 H new ATOM 0 HD12 ILE A 10 -5.486 -22.762 -12.988 1.00 20.01 H new ATOM 0 HD13 ILE A 10 -4.528 -22.932 -14.478 1.00 20.01 H new ATOM 146 N GLY A 11 -7.035 -17.713 -16.254 1.00 34.11 N ATOM 147 CA GLY A 11 -8.024 -17.254 -17.212 1.00 64.02 C ATOM 148 C GLY A 11 -8.918 -16.168 -16.648 1.00 1.51 C ATOM 149 O GLY A 11 -9.873 -15.743 -17.296 1.00 51.42 O ATOM 0 H GLY A 11 -6.112 -17.292 -16.356 1.00 34.11 H new ATOM 0 HA2 GLY A 11 -7.517 -16.878 -18.101 1.00 64.02 H new ATOM 0 HA3 GLY A 11 -8.638 -18.098 -17.528 1.00 64.02 H new ATOM 153 N GLU A 12 -8.608 -15.720 -15.435 1.00 51.11 N ATOM 154 CA GLU A 12 -9.393 -14.678 -14.784 1.00 15.22 C ATOM 155 C GLU A 12 -8.703 -13.323 -14.902 1.00 53.42 C ATOM 156 O GLU A 12 -7.481 -13.209 -14.808 1.00 12.13 O ATOM 157 CB GLU A 12 -9.615 -15.023 -13.309 1.00 51.21 C ATOM 158 CG GLU A 12 -9.242 -13.898 -12.358 1.00 50.24 C ATOM 159 CD GLU A 12 -9.762 -14.125 -10.952 1.00 21.53 C ATOM 160 OE1 GLU A 12 -10.705 -14.928 -10.790 1.00 62.04 O ATOM 161 OE2 GLU A 12 -9.224 -13.502 -10.013 1.00 73.31 O ATOM 0 H GLU A 12 -7.820 -16.062 -14.884 1.00 51.11 H new ATOM 0 HA GLU A 12 -10.359 -14.619 -15.286 1.00 15.22 H new ATOM 0 HB2 GLU A 12 -10.663 -15.282 -13.159 1.00 51.21 H new ATOM 0 HB3 GLU A 12 -9.029 -15.908 -13.059 1.00 51.21 H new ATOM 0 HG2 GLU A 12 -8.157 -13.798 -12.328 1.00 50.24 H new ATOM 0 HG3 GLU A 12 -9.639 -12.958 -12.741 1.00 50.24 H new ATOM 168 N PRO A 13 -9.505 -12.267 -15.113 1.00 62.42 N ATOM 169 CA PRO A 13 -8.994 -10.901 -15.250 1.00 54.42 C ATOM 170 C PRO A 13 -8.454 -10.349 -13.934 1.00 71.32 C ATOM 171 O PRO A 13 -8.991 -10.635 -12.863 1.00 50.14 O ATOM 172 CB PRO A 13 -10.224 -10.106 -15.698 1.00 3.55 C ATOM 173 CG PRO A 13 -11.385 -10.884 -15.185 1.00 42.10 C ATOM 174 CD PRO A 13 -10.971 -12.328 -15.236 1.00 23.12 C ATOM 0 HA PRO A 13 -8.157 -10.847 -15.946 1.00 54.42 H new ATOM 0 HB2 PRO A 13 -10.213 -9.096 -15.289 1.00 3.55 H new ATOM 0 HB3 PRO A 13 -10.260 -10.010 -16.783 1.00 3.55 H new ATOM 0 HG2 PRO A 13 -11.635 -10.586 -14.167 1.00 42.10 H new ATOM 0 HG3 PRO A 13 -12.271 -10.710 -15.795 1.00 42.10 H new ATOM 0 HD2 PRO A 13 -11.419 -12.903 -14.426 1.00 23.12 H new ATOM 0 HD3 PRO A 13 -11.277 -12.801 -16.169 1.00 23.12 H new ATOM 182 N LEU A 14 -7.389 -9.560 -14.022 1.00 12.43 N ATOM 183 CA LEU A 14 -6.777 -8.968 -12.837 1.00 62.20 C ATOM 184 C LEU A 14 -6.257 -7.565 -13.136 1.00 0.30 C ATOM 185 O LEU A 14 -5.753 -7.298 -14.227 1.00 1.44 O ATOM 186 CB LEU A 14 -5.633 -9.851 -12.335 1.00 44.14 C ATOM 187 CG LEU A 14 -5.040 -9.474 -10.977 1.00 64.25 C ATOM 188 CD1 LEU A 14 -6.039 -9.747 -9.864 1.00 54.05 C ATOM 189 CD2 LEU A 14 -3.745 -10.234 -10.732 1.00 5.45 C ATOM 0 H LEU A 14 -6.932 -9.315 -14.900 1.00 12.43 H new ATOM 0 HA LEU A 14 -7.540 -8.896 -12.062 1.00 62.20 H new ATOM 0 HB2 LEU A 14 -5.992 -10.879 -12.280 1.00 44.14 H new ATOM 0 HB3 LEU A 14 -4.834 -9.832 -13.076 1.00 44.14 H new ATOM 0 HG LEU A 14 -4.817 -8.407 -10.983 1.00 64.25 H new ATOM 0 HD11 LEU A 14 -5.599 -9.473 -8.905 1.00 54.05 H new ATOM 0 HD12 LEU A 14 -6.941 -9.158 -10.032 1.00 54.05 H new ATOM 0 HD13 LEU A 14 -6.294 -10.807 -9.856 1.00 54.05 H new ATOM 0 HD21 LEU A 14 -3.337 -9.954 -9.761 1.00 5.45 H new ATOM 0 HD22 LEU A 14 -3.944 -11.306 -10.746 1.00 5.45 H new ATOM 0 HD23 LEU A 14 -3.025 -9.988 -11.513 1.00 5.45 H new ATOM 201 N VAL A 15 -6.383 -6.672 -12.159 1.00 63.23 N ATOM 202 CA VAL A 15 -5.924 -5.298 -12.316 1.00 5.35 C ATOM 203 C VAL A 15 -4.887 -4.941 -11.256 1.00 54.33 C ATOM 204 O VAL A 15 -4.943 -5.430 -10.127 1.00 10.12 O ATOM 205 CB VAL A 15 -7.095 -4.301 -12.230 1.00 21.43 C ATOM 206 CG1 VAL A 15 -6.627 -2.896 -12.577 1.00 70.12 C ATOM 207 CG2 VAL A 15 -8.231 -4.735 -13.143 1.00 64.22 C ATOM 0 H VAL A 15 -6.799 -6.876 -11.251 1.00 63.23 H new ATOM 0 HA VAL A 15 -5.469 -5.227 -13.304 1.00 5.35 H new ATOM 0 HB VAL A 15 -7.467 -4.291 -11.205 1.00 21.43 H new ATOM 0 HG11 VAL A 15 -7.468 -2.206 -12.511 1.00 70.12 H new ATOM 0 HG12 VAL A 15 -5.849 -2.589 -11.878 1.00 70.12 H new ATOM 0 HG13 VAL A 15 -6.228 -2.886 -13.591 1.00 70.12 H new ATOM 0 HG21 VAL A 15 -9.050 -4.020 -13.070 1.00 64.22 H new ATOM 0 HG22 VAL A 15 -7.875 -4.775 -14.173 1.00 64.22 H new ATOM 0 HG23 VAL A 15 -8.583 -5.722 -12.842 1.00 64.22 H new ATOM 217 N LEU A 16 -3.942 -4.083 -11.626 1.00 12.41 N ATOM 218 CA LEU A 16 -2.893 -3.658 -10.707 1.00 3.33 C ATOM 219 C LEU A 16 -2.736 -2.141 -10.722 1.00 31.00 C ATOM 220 O LEU A 16 -2.993 -1.489 -11.734 1.00 73.45 O ATOM 221 CB LEU A 16 -1.565 -4.322 -11.075 1.00 20.43 C ATOM 222 CG LEU A 16 -1.455 -5.818 -10.773 1.00 51.51 C ATOM 223 CD1 LEU A 16 -0.078 -6.339 -11.150 1.00 23.23 C ATOM 224 CD2 LEU A 16 -1.746 -6.087 -9.303 1.00 2.02 C ATOM 0 H LEU A 16 -3.881 -3.668 -12.556 1.00 12.41 H new ATOM 0 HA LEU A 16 -3.180 -3.965 -9.701 1.00 3.33 H new ATOM 0 HB2 LEU A 16 -1.391 -4.173 -12.141 1.00 20.43 H new ATOM 0 HB3 LEU A 16 -0.764 -3.805 -10.546 1.00 20.43 H new ATOM 0 HG LEU A 16 -2.196 -6.346 -11.373 1.00 51.51 H new ATOM 0 HD11 LEU A 16 -0.019 -7.405 -10.928 1.00 23.23 H new ATOM 0 HD12 LEU A 16 0.092 -6.180 -12.215 1.00 23.23 H new ATOM 0 HD13 LEU A 16 0.682 -5.806 -10.578 1.00 23.23 H new ATOM 0 HD21 LEU A 16 -1.663 -7.156 -9.105 1.00 2.02 H new ATOM 0 HD22 LEU A 16 -1.028 -5.547 -8.685 1.00 2.02 H new ATOM 0 HD23 LEU A 16 -2.755 -5.751 -9.064 1.00 2.02 H new ATOM 236 N LYS A 17 -2.310 -1.583 -9.593 1.00 75.44 N ATOM 237 CA LYS A 17 -2.116 -0.144 -9.476 1.00 54.22 C ATOM 238 C LYS A 17 -0.636 0.196 -9.336 1.00 41.03 C ATOM 239 O LYS A 17 0.153 -0.612 -8.844 1.00 50.12 O ATOM 240 CB LYS A 17 -2.891 0.401 -8.274 1.00 31.14 C ATOM 241 CG LYS A 17 -3.160 1.894 -8.348 1.00 72.42 C ATOM 242 CD LYS A 17 -4.400 2.277 -7.558 1.00 62.14 C ATOM 243 CE LYS A 17 -5.647 2.247 -8.428 1.00 20.21 C ATOM 244 NZ LYS A 17 -6.757 3.042 -7.834 1.00 42.02 N ATOM 0 H LYS A 17 -2.093 -2.107 -8.746 1.00 75.44 H new ATOM 0 HA LYS A 17 -2.494 0.323 -10.386 1.00 54.22 H new ATOM 0 HB2 LYS A 17 -3.841 -0.127 -8.196 1.00 31.14 H new ATOM 0 HB3 LYS A 17 -2.331 0.186 -7.364 1.00 31.14 H new ATOM 0 HG2 LYS A 17 -2.299 2.439 -7.962 1.00 72.42 H new ATOM 0 HG3 LYS A 17 -3.285 2.191 -9.389 1.00 72.42 H new ATOM 0 HD2 LYS A 17 -4.524 1.592 -6.719 1.00 62.14 H new ATOM 0 HD3 LYS A 17 -4.272 3.275 -7.139 1.00 62.14 H new ATOM 0 HE2 LYS A 17 -5.409 2.638 -9.417 1.00 20.21 H new ATOM 0 HE3 LYS A 17 -5.971 1.215 -8.563 1.00 20.21 H new ATOM 0 HZ1 LYS A 17 -7.589 2.996 -8.457 1.00 42.02 H new ATOM 0 HZ2 LYS A 17 -7.002 2.653 -6.901 1.00 42.02 H new ATOM 0 HZ3 LYS A 17 -6.457 4.032 -7.729 1.00 42.02 H new ATOM 258 N CYS A 18 -0.265 1.396 -9.770 1.00 42.03 N ATOM 259 CA CYS A 18 1.120 1.843 -9.694 1.00 1.43 C ATOM 260 C CYS A 18 1.296 2.884 -8.592 1.00 15.33 C ATOM 261 O CYS A 18 0.953 4.054 -8.766 1.00 4.23 O ATOM 262 CB CYS A 18 1.566 2.427 -11.036 1.00 22.13 C ATOM 263 SG CYS A 18 3.361 2.329 -11.330 1.00 1.34 S ATOM 0 H CYS A 18 -0.905 2.077 -10.178 1.00 42.03 H new ATOM 0 HA CYS A 18 1.741 0.979 -9.457 1.00 1.43 H new ATOM 0 HB2 CYS A 18 1.048 1.902 -11.839 1.00 22.13 H new ATOM 0 HB3 CYS A 18 1.257 3.471 -11.086 1.00 22.13 H new ATOM 268 N LYS A 19 1.830 2.450 -7.455 1.00 23.12 N ATOM 269 CA LYS A 19 2.054 3.342 -6.324 1.00 51.22 C ATOM 270 C LYS A 19 3.023 4.460 -6.695 1.00 22.20 C ATOM 271 O LYS A 19 4.189 4.209 -6.993 1.00 63.21 O ATOM 272 CB LYS A 19 2.597 2.558 -5.128 1.00 23.11 C ATOM 273 CG LYS A 19 1.831 1.278 -4.841 1.00 52.33 C ATOM 274 CD LYS A 19 0.345 1.545 -4.664 1.00 44.42 C ATOM 275 CE LYS A 19 0.083 2.481 -3.493 1.00 12.13 C ATOM 276 NZ LYS A 19 -1.373 2.715 -3.285 1.00 22.22 N ATOM 0 H LYS A 19 2.116 1.484 -7.293 1.00 23.12 H new ATOM 0 HA LYS A 19 1.098 3.789 -6.053 1.00 51.22 H new ATOM 0 HB2 LYS A 19 3.643 2.312 -5.310 1.00 23.11 H new ATOM 0 HB3 LYS A 19 2.568 3.195 -4.244 1.00 23.11 H new ATOM 0 HG2 LYS A 19 1.980 0.573 -5.659 1.00 52.33 H new ATOM 0 HG3 LYS A 19 2.227 0.810 -3.940 1.00 52.33 H new ATOM 0 HD2 LYS A 19 -0.059 1.981 -5.578 1.00 44.42 H new ATOM 0 HD3 LYS A 19 -0.179 0.603 -4.502 1.00 44.42 H new ATOM 0 HE2 LYS A 19 0.516 2.058 -2.586 1.00 12.13 H new ATOM 0 HE3 LYS A 19 0.582 3.434 -3.671 1.00 12.13 H new ATOM 0 HZ1 LYS A 19 -1.510 3.357 -2.479 1.00 22.22 H new ATOM 0 HZ2 LYS A 19 -1.782 3.142 -4.141 1.00 22.22 H new ATOM 0 HZ3 LYS A 19 -1.846 1.809 -3.090 1.00 22.22 H new ATOM 290 N GLY A 20 2.531 5.695 -6.673 1.00 3.43 N ATOM 291 CA GLY A 20 3.368 6.833 -7.007 1.00 25.24 C ATOM 292 C GLY A 20 2.772 7.689 -8.107 1.00 33.33 C ATOM 293 O GLY A 20 2.835 8.916 -8.050 1.00 73.14 O ATOM 0 H GLY A 20 1.568 5.928 -6.430 1.00 3.43 H new ATOM 0 HA2 GLY A 20 3.518 7.444 -6.117 1.00 25.24 H new ATOM 0 HA3 GLY A 20 4.350 6.478 -7.319 1.00 25.24 H new ATOM 434 N LEU A 29 6.825 6.154 -17.922 1.00 42.34 N ATOM 435 CA LEU A 29 6.905 5.106 -16.912 1.00 22.52 C ATOM 436 C LEU A 29 7.165 3.748 -17.557 1.00 22.24 C ATOM 437 O LEU A 29 6.794 3.515 -18.706 1.00 70.53 O ATOM 438 CB LEU A 29 5.612 5.055 -16.097 1.00 42.51 C ATOM 439 CG LEU A 29 4.327 5.391 -16.854 1.00 52.24 C ATOM 440 CD1 LEU A 29 4.115 4.417 -18.003 1.00 44.15 C ATOM 441 CD2 LEU A 29 3.133 5.375 -15.912 1.00 70.24 C ATOM 0 HA LEU A 29 7.737 5.339 -16.248 1.00 22.52 H new ATOM 0 HB2 LEU A 29 5.511 4.055 -15.676 1.00 42.51 H new ATOM 0 HB3 LEU A 29 5.707 5.745 -15.259 1.00 42.51 H new ATOM 0 HG LEU A 29 4.424 6.395 -17.268 1.00 52.24 H new ATOM 0 HD11 LEU A 29 3.196 4.671 -18.531 1.00 44.15 H new ATOM 0 HD12 LEU A 29 4.958 4.478 -18.692 1.00 44.15 H new ATOM 0 HD13 LEU A 29 4.040 3.403 -17.611 1.00 44.15 H new ATOM 0 HD21 LEU A 29 2.227 5.616 -16.468 1.00 70.24 H new ATOM 0 HD22 LEU A 29 3.033 4.385 -15.468 1.00 70.24 H new ATOM 0 HD23 LEU A 29 3.282 6.113 -15.123 1.00 70.24 H new ATOM 453 N GLU A 30 7.804 2.854 -16.807 1.00 43.13 N ATOM 454 CA GLU A 30 8.112 1.520 -17.306 1.00 32.04 C ATOM 455 C GLU A 30 7.460 0.449 -16.434 1.00 43.45 C ATOM 456 O GLU A 30 7.293 0.633 -15.229 1.00 3.32 O ATOM 457 CB GLU A 30 9.627 1.305 -17.350 1.00 75.32 C ATOM 458 CG GLU A 30 10.047 0.100 -18.176 1.00 52.11 C ATOM 459 CD GLU A 30 9.896 0.335 -19.667 1.00 3.52 C ATOM 460 OE1 GLU A 30 10.846 0.865 -20.282 1.00 33.25 O ATOM 461 OE2 GLU A 30 8.831 -0.010 -20.219 1.00 33.03 O ATOM 0 H GLU A 30 8.118 3.030 -15.853 1.00 43.13 H new ATOM 0 HA GLU A 30 7.711 1.436 -18.316 1.00 32.04 H new ATOM 0 HB2 GLU A 30 10.101 2.198 -17.758 1.00 75.32 H new ATOM 0 HB3 GLU A 30 9.998 1.185 -16.332 1.00 75.32 H new ATOM 0 HG2 GLU A 30 11.086 -0.144 -17.954 1.00 52.11 H new ATOM 0 HG3 GLU A 30 9.447 -0.762 -17.885 1.00 52.11 H new ATOM 468 N TRP A 31 7.095 -0.666 -17.054 1.00 61.43 N ATOM 469 CA TRP A 31 6.461 -1.767 -16.336 1.00 51.45 C ATOM 470 C TRP A 31 7.197 -3.077 -16.587 1.00 11.23 C ATOM 471 O TRP A 31 7.540 -3.401 -17.724 1.00 44.21 O ATOM 472 CB TRP A 31 4.996 -1.901 -16.758 1.00 21.02 C ATOM 473 CG TRP A 31 4.334 -0.585 -17.035 1.00 4.41 C ATOM 474 CD1 TRP A 31 4.386 0.130 -18.198 1.00 31.33 C ATOM 475 CD2 TRP A 31 3.524 0.173 -16.131 1.00 55.13 C ATOM 476 NE1 TRP A 31 3.655 1.286 -18.071 1.00 5.30 N ATOM 477 CE2 TRP A 31 3.116 1.337 -16.812 1.00 70.14 C ATOM 478 CE3 TRP A 31 3.100 -0.018 -14.813 1.00 10.04 C ATOM 479 CZ2 TRP A 31 2.309 2.302 -16.219 1.00 54.24 C ATOM 480 CZ3 TRP A 31 2.299 0.942 -14.225 1.00 21.14 C ATOM 481 CH2 TRP A 31 1.909 2.090 -14.928 1.00 33.13 C ATOM 0 H TRP A 31 7.226 -0.833 -18.052 1.00 61.43 H new ATOM 0 HA TRP A 31 6.506 -1.546 -15.270 1.00 51.45 H new ATOM 0 HB2 TRP A 31 4.938 -2.524 -17.651 1.00 21.02 H new ATOM 0 HB3 TRP A 31 4.445 -2.418 -15.973 1.00 21.02 H new ATOM 0 HD1 TRP A 31 4.923 -0.169 -19.086 1.00 31.33 H new ATOM 0 HE1 TRP A 31 3.533 1.992 -18.797 1.00 5.30 H new ATOM 0 HE3 TRP A 31 3.393 -0.900 -14.264 1.00 10.04 H new ATOM 0 HZ2 TRP A 31 2.009 3.188 -16.759 1.00 54.24 H new ATOM 0 HZ3 TRP A 31 1.968 0.805 -13.206 1.00 21.14 H new ATOM 0 HH2 TRP A 31 1.281 2.821 -14.441 1.00 33.13 H new ATOM 492 N LYS A 32 7.438 -3.830 -15.519 1.00 11.45 N ATOM 493 CA LYS A 32 8.133 -5.107 -15.623 1.00 12.02 C ATOM 494 C LYS A 32 7.585 -6.109 -14.612 1.00 32.30 C ATOM 495 O LYS A 32 7.354 -5.771 -13.450 1.00 11.34 O ATOM 496 CB LYS A 32 9.635 -4.913 -15.402 1.00 64.00 C ATOM 497 CG LYS A 32 10.499 -5.693 -16.378 1.00 71.44 C ATOM 498 CD LYS A 32 11.549 -4.805 -17.026 1.00 21.44 C ATOM 499 CE LYS A 32 12.628 -4.404 -16.032 1.00 54.22 C ATOM 500 NZ LYS A 32 13.554 -5.531 -15.734 1.00 0.31 N ATOM 0 H LYS A 32 7.162 -3.577 -14.570 1.00 11.45 H new ATOM 0 HA LYS A 32 7.967 -5.502 -16.625 1.00 12.02 H new ATOM 0 HB2 LYS A 32 9.872 -3.853 -15.487 1.00 64.00 H new ATOM 0 HB3 LYS A 32 9.886 -5.215 -14.385 1.00 64.00 H new ATOM 0 HG2 LYS A 32 10.988 -6.515 -15.856 1.00 71.44 H new ATOM 0 HG3 LYS A 32 9.869 -6.136 -17.150 1.00 71.44 H new ATOM 0 HD2 LYS A 32 12.003 -5.330 -17.866 1.00 21.44 H new ATOM 0 HD3 LYS A 32 11.073 -3.911 -17.429 1.00 21.44 H new ATOM 0 HE2 LYS A 32 13.196 -3.564 -16.432 1.00 54.22 H new ATOM 0 HE3 LYS A 32 12.162 -4.063 -15.108 1.00 54.22 H new ATOM 0 HZ1 LYS A 32 14.341 -5.188 -15.148 1.00 0.31 H new ATOM 0 HZ2 LYS A 32 13.040 -6.276 -15.222 1.00 0.31 H new ATOM 0 HZ3 LYS A 32 13.928 -5.918 -16.624 1.00 0.31 H new ATOM 514 N LEU A 33 7.381 -7.343 -15.059 1.00 33.12 N ATOM 515 CA LEU A 33 6.861 -8.395 -14.192 1.00 61.11 C ATOM 516 C LEU A 33 7.533 -9.731 -14.494 1.00 61.14 C ATOM 517 O LEU A 33 7.780 -10.064 -15.653 1.00 4.44 O ATOM 518 CB LEU A 33 5.347 -8.523 -14.363 1.00 71.14 C ATOM 519 CG LEU A 33 4.796 -8.170 -15.746 1.00 35.20 C ATOM 520 CD1 LEU A 33 3.624 -9.074 -16.100 1.00 13.13 C ATOM 521 CD2 LEU A 33 4.377 -6.709 -15.797 1.00 44.42 C ATOM 0 H LEU A 33 7.568 -7.640 -16.017 1.00 33.12 H new ATOM 0 HA LEU A 33 7.082 -8.123 -13.160 1.00 61.11 H new ATOM 0 HB2 LEU A 33 5.061 -9.549 -14.131 1.00 71.14 H new ATOM 0 HB3 LEU A 33 4.863 -7.882 -13.626 1.00 71.14 H new ATOM 0 HG LEU A 33 5.586 -8.327 -16.481 1.00 35.20 H new ATOM 0 HD11 LEU A 33 3.245 -8.809 -17.087 1.00 13.13 H new ATOM 0 HD12 LEU A 33 3.954 -10.113 -16.106 1.00 13.13 H new ATOM 0 HD13 LEU A 33 2.832 -8.949 -15.361 1.00 13.13 H new ATOM 0 HD21 LEU A 33 3.988 -6.477 -16.788 1.00 44.42 H new ATOM 0 HD22 LEU A 33 3.603 -6.526 -15.051 1.00 44.42 H new ATOM 0 HD23 LEU A 33 5.239 -6.076 -15.588 1.00 44.42 H new ATOM 533 N ASN A 34 7.823 -10.492 -13.444 1.00 42.11 N ATOM 534 CA ASN A 34 8.465 -11.792 -13.597 1.00 62.34 C ATOM 535 C ASN A 34 7.494 -12.920 -13.264 1.00 30.44 C ATOM 536 O ASN A 34 6.872 -12.926 -12.201 1.00 12.43 O ATOM 537 CB ASN A 34 9.700 -11.884 -12.699 1.00 12.55 C ATOM 538 CG ASN A 34 10.749 -12.829 -13.252 1.00 34.13 C ATOM 539 OD1 ASN A 34 11.874 -12.424 -13.543 1.00 12.34 O ATOM 540 ND2 ASN A 34 10.383 -14.097 -13.399 1.00 62.21 N ATOM 0 H ASN A 34 7.624 -10.231 -12.478 1.00 42.11 H new ATOM 0 HA ASN A 34 8.773 -11.897 -14.637 1.00 62.34 H new ATOM 0 HB2 ASN A 34 10.135 -10.891 -12.582 1.00 12.55 H new ATOM 0 HB3 ASN A 34 9.400 -12.220 -11.706 1.00 12.55 H new ATOM 0 HD21 ASN A 34 11.046 -14.780 -13.766 1.00 62.21 H new ATOM 0 HD22 ASN A 34 9.439 -14.388 -13.144 1.00 62.21 H new ATOM 547 N THR A 35 7.370 -13.877 -14.179 1.00 14.41 N ATOM 548 CA THR A 35 6.475 -15.011 -13.982 1.00 54.35 C ATOM 549 C THR A 35 7.138 -16.316 -14.408 1.00 52.45 C ATOM 550 O THR A 35 8.281 -16.322 -14.863 1.00 2.11 O ATOM 551 CB THR A 35 5.163 -14.834 -14.772 1.00 14.22 C ATOM 552 OG1 THR A 35 5.370 -15.171 -16.147 1.00 62.32 O ATOM 553 CG2 THR A 35 4.657 -13.403 -14.665 1.00 74.42 C ATOM 0 H THR A 35 7.878 -13.889 -15.063 1.00 14.41 H new ATOM 0 HA THR A 35 6.248 -15.053 -12.917 1.00 54.35 H new ATOM 0 HB THR A 35 4.414 -15.501 -14.345 1.00 14.22 H new ATOM 0 HG1 THR A 35 4.874 -15.989 -16.362 1.00 62.32 H new ATOM 0 HG21 THR A 35 3.730 -13.302 -15.230 1.00 74.42 H new ATOM 0 HG22 THR A 35 4.472 -13.160 -13.619 1.00 74.42 H new ATOM 0 HG23 THR A 35 5.405 -12.721 -15.070 1.00 74.42 H new ATOM 561 N GLY A 36 6.412 -17.420 -14.257 1.00 44.51 N ATOM 562 CA GLY A 36 6.949 -18.716 -14.631 1.00 50.45 C ATOM 563 C GLY A 36 7.986 -19.220 -13.648 1.00 1.44 C ATOM 564 O GLY A 36 7.751 -19.231 -12.440 1.00 34.23 O ATOM 0 H GLY A 36 5.463 -17.440 -13.883 1.00 44.51 H new ATOM 0 HA2 GLY A 36 6.135 -19.438 -14.697 1.00 50.45 H new ATOM 0 HA3 GLY A 36 7.396 -18.648 -15.623 1.00 50.45 H new ATOM 568 N ARG A 37 9.136 -19.639 -14.166 1.00 73.41 N ATOM 569 CA ARG A 37 10.211 -20.150 -13.325 1.00 32.41 C ATOM 570 C ARG A 37 11.413 -19.210 -13.347 1.00 72.35 C ATOM 571 O ARG A 37 12.076 -19.006 -12.330 1.00 22.43 O ATOM 572 CB ARG A 37 10.634 -21.545 -13.791 1.00 74.03 C ATOM 573 CG ARG A 37 9.500 -22.558 -13.786 1.00 43.44 C ATOM 574 CD ARG A 37 9.027 -22.859 -12.373 1.00 1.30 C ATOM 575 NE ARG A 37 10.058 -23.525 -11.582 1.00 1.22 N ATOM 576 CZ ARG A 37 10.381 -24.805 -11.724 1.00 60.34 C ATOM 577 NH1 ARG A 37 9.758 -25.553 -12.624 1.00 12.12 N ATOM 578 NH2 ARG A 37 11.330 -25.340 -10.967 1.00 31.21 N ATOM 0 H ARG A 37 9.347 -19.635 -15.164 1.00 73.41 H new ATOM 0 HA ARG A 37 9.838 -20.213 -12.303 1.00 32.41 H new ATOM 0 HB2 ARG A 37 11.042 -21.474 -14.799 1.00 74.03 H new ATOM 0 HB3 ARG A 37 11.436 -21.906 -13.147 1.00 74.03 H new ATOM 0 HG2 ARG A 37 8.667 -22.176 -14.376 1.00 43.44 H new ATOM 0 HG3 ARG A 37 9.832 -23.480 -14.264 1.00 43.44 H new ATOM 0 HD2 ARG A 37 8.737 -21.930 -11.882 1.00 1.30 H new ATOM 0 HD3 ARG A 37 8.138 -23.489 -12.414 1.00 1.30 H new ATOM 0 HE ARG A 37 10.558 -22.977 -10.882 1.00 1.22 H new ATOM 0 HH11 ARG A 37 9.029 -25.145 -13.209 1.00 12.12 H new ATOM 0 HH12 ARG A 37 10.008 -26.536 -12.731 1.00 12.12 H new ATOM 0 HH21 ARG A 37 11.813 -24.768 -10.274 1.00 31.21 H new ATOM 0 HH22 ARG A 37 11.577 -26.324 -11.078 1.00 31.21 H new ATOM 592 N THR A 38 11.687 -18.637 -14.515 1.00 63.11 N ATOM 593 CA THR A 38 12.809 -17.720 -14.672 1.00 12.51 C ATOM 594 C THR A 38 12.895 -17.194 -16.100 1.00 34.41 C ATOM 595 O THR A 38 13.339 -16.071 -16.332 1.00 45.53 O ATOM 596 CB THR A 38 14.143 -18.396 -14.305 1.00 51.22 C ATOM 597 OG1 THR A 38 15.163 -17.405 -14.131 1.00 31.41 O ATOM 598 CG2 THR A 38 14.565 -19.382 -15.383 1.00 71.44 C ATOM 0 H THR A 38 11.147 -18.792 -15.366 1.00 63.11 H new ATOM 0 HA THR A 38 12.633 -16.887 -13.991 1.00 12.51 H new ATOM 0 HB THR A 38 14.004 -18.941 -13.371 1.00 51.22 H new ATOM 0 HG1 THR A 38 16.008 -17.843 -13.896 1.00 31.41 H new ATOM 0 HG21 THR A 38 15.510 -19.847 -15.101 1.00 71.44 H new ATOM 0 HG22 THR A 38 13.801 -20.151 -15.492 1.00 71.44 H new ATOM 0 HG23 THR A 38 14.688 -18.856 -16.330 1.00 71.44 H new ATOM 606 N GLU A 39 12.465 -18.014 -17.054 1.00 64.51 N ATOM 607 CA GLU A 39 12.494 -17.630 -18.461 1.00 34.00 C ATOM 608 C GLU A 39 11.103 -17.232 -18.945 1.00 10.21 C ATOM 609 O GLU A 39 10.747 -17.463 -20.100 1.00 71.34 O ATOM 610 CB GLU A 39 13.034 -18.779 -19.315 1.00 64.02 C ATOM 611 CG GLU A 39 14.510 -19.064 -19.090 1.00 52.24 C ATOM 612 CD GLU A 39 14.886 -20.493 -19.429 1.00 13.23 C ATOM 613 OE1 GLU A 39 14.812 -20.861 -20.620 1.00 4.24 O ATOM 614 OE2 GLU A 39 15.255 -21.245 -18.501 1.00 52.32 O ATOM 0 H GLU A 39 12.093 -18.947 -16.879 1.00 64.51 H new ATOM 0 HA GLU A 39 13.155 -16.769 -18.563 1.00 34.00 H new ATOM 0 HB2 GLU A 39 12.461 -19.681 -19.099 1.00 64.02 H new ATOM 0 HB3 GLU A 39 12.874 -18.544 -20.367 1.00 64.02 H new ATOM 0 HG2 GLU A 39 15.105 -18.382 -19.698 1.00 52.24 H new ATOM 0 HG3 GLU A 39 14.760 -18.864 -18.048 1.00 52.24 H new ATOM 621 N ALA A 40 10.322 -16.633 -18.052 1.00 74.32 N ATOM 622 CA ALA A 40 8.970 -16.201 -18.389 1.00 1.33 C ATOM 623 C ALA A 40 8.789 -14.710 -18.126 1.00 33.13 C ATOM 624 O ALA A 40 7.754 -14.133 -18.459 1.00 51.40 O ATOM 625 CB ALA A 40 7.947 -17.006 -17.599 1.00 65.33 C ATOM 0 H ALA A 40 10.601 -16.436 -17.091 1.00 74.32 H new ATOM 0 HA ALA A 40 8.813 -16.378 -19.453 1.00 1.33 H new ATOM 0 HB1 ALA A 40 6.942 -16.674 -17.860 1.00 65.33 H new ATOM 0 HB2 ALA A 40 8.053 -18.064 -17.839 1.00 65.33 H new ATOM 0 HB3 ALA A 40 8.113 -16.857 -16.532 1.00 65.33 H new ATOM 631 N TRP A 41 9.801 -14.092 -17.526 1.00 33.24 N ATOM 632 CA TRP A 41 9.751 -12.668 -17.218 1.00 24.33 C ATOM 633 C TRP A 41 9.558 -11.843 -18.486 1.00 21.04 C ATOM 634 O TRP A 41 10.270 -12.028 -19.474 1.00 61.31 O ATOM 635 CB TRP A 41 11.033 -12.235 -16.505 1.00 23.23 C ATOM 636 CG TRP A 41 12.238 -12.231 -17.397 1.00 73.03 C ATOM 637 CD1 TRP A 41 12.891 -13.321 -17.896 1.00 25.53 C ATOM 638 CD2 TRP A 41 12.933 -11.082 -17.894 1.00 14.20 C ATOM 639 NE1 TRP A 41 13.951 -12.919 -18.674 1.00 1.44 N ATOM 640 CE2 TRP A 41 13.997 -11.550 -18.689 1.00 52.30 C ATOM 641 CE3 TRP A 41 12.757 -9.703 -17.746 1.00 23.24 C ATOM 642 CZ2 TRP A 41 14.881 -10.687 -19.331 1.00 3.41 C ATOM 643 CZ3 TRP A 41 13.636 -8.848 -18.383 1.00 22.20 C ATOM 644 CH2 TRP A 41 14.686 -9.342 -19.168 1.00 2.31 C ATOM 0 H TRP A 41 10.665 -14.555 -17.244 1.00 33.24 H new ATOM 0 HA TRP A 41 8.900 -12.494 -16.560 1.00 24.33 H new ATOM 0 HB2 TRP A 41 10.891 -11.236 -16.094 1.00 23.23 H new ATOM 0 HB3 TRP A 41 11.215 -12.903 -15.663 1.00 23.23 H new ATOM 0 HD1 TRP A 41 12.616 -14.348 -17.707 1.00 25.53 H new ATOM 0 HE1 TRP A 41 14.598 -13.539 -19.161 1.00 1.44 H new ATOM 0 HE3 TRP A 41 11.949 -9.313 -17.145 1.00 23.24 H new ATOM 0 HZ2 TRP A 41 15.692 -11.065 -19.936 1.00 3.41 H new ATOM 0 HZ3 TRP A 41 13.511 -7.781 -18.274 1.00 22.20 H new ATOM 0 HH2 TRP A 41 15.355 -8.648 -19.654 1.00 2.31 H new ATOM 655 N LYS A 42 8.591 -10.933 -18.452 1.00 43.40 N ATOM 656 CA LYS A 42 8.304 -10.078 -19.598 1.00 41.00 C ATOM 657 C LYS A 42 8.197 -8.617 -19.173 1.00 62.22 C ATOM 658 O LYS A 42 7.863 -8.316 -18.028 1.00 52.34 O ATOM 659 CB LYS A 42 7.006 -10.519 -20.278 1.00 15.04 C ATOM 660 CG LYS A 42 5.800 -10.502 -19.354 1.00 43.34 C ATOM 661 CD LYS A 42 5.464 -11.895 -18.848 1.00 41.02 C ATOM 662 CE LYS A 42 4.339 -11.860 -17.826 1.00 32.12 C ATOM 663 NZ LYS A 42 3.716 -13.200 -17.641 1.00 4.44 N ATOM 0 H LYS A 42 7.992 -10.768 -17.643 1.00 43.40 H new ATOM 0 HA LYS A 42 9.128 -10.173 -20.306 1.00 41.00 H new ATOM 0 HB2 LYS A 42 6.811 -9.866 -21.129 1.00 15.04 H new ATOM 0 HB3 LYS A 42 7.137 -11.526 -20.673 1.00 15.04 H new ATOM 0 HG2 LYS A 42 5.999 -9.845 -18.507 1.00 43.34 H new ATOM 0 HG3 LYS A 42 4.941 -10.089 -19.883 1.00 43.34 H new ATOM 0 HD2 LYS A 42 5.175 -12.528 -19.687 1.00 41.02 H new ATOM 0 HD3 LYS A 42 6.350 -12.344 -18.400 1.00 41.02 H new ATOM 0 HE2 LYS A 42 4.727 -11.505 -16.871 1.00 32.12 H new ATOM 0 HE3 LYS A 42 3.579 -11.147 -18.147 1.00 32.12 H new ATOM 0 HZ1 LYS A 42 2.890 -13.115 -17.015 1.00 4.44 H new ATOM 0 HZ2 LYS A 42 3.414 -13.573 -18.564 1.00 4.44 H new ATOM 0 HZ3 LYS A 42 4.408 -13.849 -17.215 1.00 4.44 H new ATOM 677 N VAL A 43 8.481 -7.712 -20.105 1.00 32.33 N ATOM 678 CA VAL A 43 8.414 -6.282 -19.828 1.00 31.11 C ATOM 679 C VAL A 43 7.117 -5.680 -20.356 1.00 60.30 C ATOM 680 O VAL A 43 6.830 -5.747 -21.553 1.00 1.22 O ATOM 681 CB VAL A 43 9.606 -5.533 -20.452 1.00 72.10 C ATOM 682 CG1 VAL A 43 9.615 -4.079 -20.007 1.00 55.04 C ATOM 683 CG2 VAL A 43 10.915 -6.218 -20.089 1.00 34.12 C ATOM 0 H VAL A 43 8.760 -7.944 -21.058 1.00 32.33 H new ATOM 0 HA VAL A 43 8.450 -6.168 -18.745 1.00 31.11 H new ATOM 0 HB VAL A 43 9.499 -5.556 -21.537 1.00 72.10 H new ATOM 0 HG11 VAL A 43 10.464 -3.566 -20.458 1.00 55.04 H new ATOM 0 HG12 VAL A 43 8.690 -3.596 -20.322 1.00 55.04 H new ATOM 0 HG13 VAL A 43 9.697 -4.031 -18.921 1.00 55.04 H new ATOM 0 HG21 VAL A 43 11.747 -5.675 -20.538 1.00 34.12 H new ATOM 0 HG22 VAL A 43 11.032 -6.228 -19.005 1.00 34.12 H new ATOM 0 HG23 VAL A 43 10.906 -7.242 -20.463 1.00 34.12 H new ATOM 693 N LEU A 44 6.335 -5.093 -19.458 1.00 20.24 N ATOM 694 CA LEU A 44 5.066 -4.478 -19.832 1.00 44.04 C ATOM 695 C LEU A 44 5.261 -3.011 -20.202 1.00 51.11 C ATOM 696 O LEU A 44 6.096 -2.319 -19.618 1.00 50.24 O ATOM 697 CB LEU A 44 4.060 -4.598 -18.686 1.00 74.52 C ATOM 698 CG LEU A 44 3.143 -5.821 -18.724 1.00 21.30 C ATOM 699 CD1 LEU A 44 2.092 -5.666 -19.812 1.00 30.32 C ATOM 700 CD2 LEU A 44 3.955 -7.090 -18.940 1.00 73.13 C ATOM 0 H LEU A 44 6.557 -5.030 -18.464 1.00 20.24 H new ATOM 0 HA LEU A 44 4.678 -5.005 -20.703 1.00 44.04 H new ATOM 0 HB2 LEU A 44 4.611 -4.611 -17.745 1.00 74.52 H new ATOM 0 HB3 LEU A 44 3.438 -3.703 -18.679 1.00 74.52 H new ATOM 0 HG LEU A 44 2.633 -5.899 -17.764 1.00 21.30 H new ATOM 0 HD11 LEU A 44 1.449 -6.546 -19.824 1.00 30.32 H new ATOM 0 HD12 LEU A 44 1.490 -4.779 -19.613 1.00 30.32 H new ATOM 0 HD13 LEU A 44 2.583 -5.562 -20.780 1.00 30.32 H new ATOM 0 HD21 LEU A 44 3.286 -7.950 -18.964 1.00 73.13 H new ATOM 0 HD22 LEU A 44 4.493 -7.021 -19.886 1.00 73.13 H new ATOM 0 HD23 LEU A 44 4.669 -7.208 -18.125 1.00 73.13 H new ATOM 712 N SER A 45 4.483 -2.541 -21.172 1.00 24.21 N ATOM 713 CA SER A 45 4.571 -1.156 -21.621 1.00 21.15 C ATOM 714 C SER A 45 3.206 -0.477 -21.556 1.00 2.12 C ATOM 715 O SER A 45 2.165 -1.127 -21.465 1.00 14.53 O ATOM 716 CB SER A 45 5.117 -1.094 -23.048 1.00 72.21 C ATOM 717 OG SER A 45 5.223 -2.391 -23.611 1.00 54.23 O ATOM 0 H SER A 45 3.784 -3.099 -21.662 1.00 24.21 H new ATOM 0 HA SER A 45 5.253 -0.626 -20.956 1.00 21.15 H new ATOM 0 HB2 SER A 45 4.462 -0.479 -23.665 1.00 72.21 H new ATOM 0 HB3 SER A 45 6.096 -0.614 -23.046 1.00 72.21 H new ATOM 0 HG SER A 45 5.573 -2.324 -24.524 1.00 54.23 H new ATOM 723 N PRO A 46 3.211 0.863 -21.604 1.00 62.32 N ATOM 724 CA PRO A 46 1.982 1.661 -21.553 1.00 62.30 C ATOM 725 C PRO A 46 1.146 1.521 -22.821 1.00 10.12 C ATOM 726 O PRO A 46 0.060 2.090 -22.923 1.00 60.54 O ATOM 727 CB PRO A 46 2.497 3.096 -21.408 1.00 3.10 C ATOM 728 CG PRO A 46 3.862 3.070 -22.004 1.00 61.33 C ATOM 729 CD PRO A 46 4.416 1.703 -21.713 1.00 73.02 C ATOM 0 HA PRO A 46 1.324 1.345 -20.743 1.00 62.30 H new ATOM 0 HB2 PRO A 46 1.851 3.803 -21.929 1.00 3.10 H new ATOM 0 HB3 PRO A 46 2.527 3.402 -20.362 1.00 3.10 H new ATOM 0 HG2 PRO A 46 3.822 3.254 -23.078 1.00 61.33 H new ATOM 0 HG3 PRO A 46 4.492 3.847 -21.570 1.00 61.33 H new ATOM 0 HD2 PRO A 46 5.075 1.359 -22.510 1.00 73.02 H new ATOM 0 HD3 PRO A 46 4.998 1.693 -20.791 1.00 73.02 H new ATOM 737 N GLN A 47 1.660 0.759 -23.781 1.00 41.22 N ATOM 738 CA GLN A 47 0.960 0.545 -25.042 1.00 42.21 C ATOM 739 C GLN A 47 0.741 -0.942 -25.297 1.00 32.22 C ATOM 740 O GLN A 47 1.376 -1.534 -26.169 1.00 52.20 O ATOM 741 CB GLN A 47 1.749 1.162 -26.199 1.00 35.32 C ATOM 742 CG GLN A 47 0.905 1.429 -27.435 1.00 53.23 C ATOM 743 CD GLN A 47 -0.186 2.452 -27.188 1.00 2.32 C ATOM 744 OE1 GLN A 47 0.043 3.658 -27.288 1.00 71.43 O ATOM 745 NE2 GLN A 47 -1.382 1.976 -26.861 1.00 4.35 N ATOM 0 H GLN A 47 2.558 0.280 -23.710 1.00 41.22 H new ATOM 0 HA GLN A 47 -0.013 1.031 -24.975 1.00 42.21 H new ATOM 0 HB2 GLN A 47 2.196 2.098 -25.865 1.00 35.32 H new ATOM 0 HB3 GLN A 47 2.569 0.495 -26.466 1.00 35.32 H new ATOM 0 HG2 GLN A 47 1.549 1.779 -28.242 1.00 53.23 H new ATOM 0 HG3 GLN A 47 0.453 0.495 -27.770 1.00 53.23 H new ATOM 0 HE21 GLN A 47 -1.528 0.969 -26.789 1.00 4.35 H new ATOM 0 HE22 GLN A 47 -2.155 2.617 -26.682 1.00 4.35 H new ATOM 852 N ALA A 56 -0.906 -8.547 -21.328 1.00 35.34 N ATOM 853 CA ALA A 56 -1.867 -7.617 -20.746 1.00 45.12 C ATOM 854 C ALA A 56 -1.692 -6.216 -21.323 1.00 73.13 C ATOM 855 O ALA A 56 -0.768 -5.964 -22.097 1.00 73.20 O ATOM 856 CB ALA A 56 -1.723 -7.587 -19.232 1.00 31.42 C ATOM 0 HA ALA A 56 -2.869 -7.964 -20.998 1.00 45.12 H new ATOM 0 HB1 ALA A 56 -2.447 -6.889 -18.811 1.00 31.42 H new ATOM 0 HB2 ALA A 56 -1.904 -8.584 -18.829 1.00 31.42 H new ATOM 0 HB3 ALA A 56 -0.715 -7.267 -18.969 1.00 31.42 H new ATOM 862 N ARG A 57 -2.586 -5.309 -20.943 1.00 23.11 N ATOM 863 CA ARG A 57 -2.531 -3.934 -21.424 1.00 63.31 C ATOM 864 C ARG A 57 -2.426 -2.954 -20.259 1.00 31.12 C ATOM 865 O ARG A 57 -2.745 -3.292 -19.119 1.00 41.24 O ATOM 866 CB ARG A 57 -3.770 -3.615 -22.262 1.00 21.40 C ATOM 867 CG ARG A 57 -4.947 -4.536 -21.985 1.00 32.15 C ATOM 868 CD ARG A 57 -5.919 -4.567 -23.154 1.00 51.44 C ATOM 869 NE ARG A 57 -7.168 -3.877 -22.846 1.00 2.51 N ATOM 870 CZ ARG A 57 -7.325 -2.560 -22.945 1.00 22.43 C ATOM 871 NH1 ARG A 57 -6.316 -1.798 -23.344 1.00 1.13 N ATOM 872 NH2 ARG A 57 -8.493 -2.006 -22.647 1.00 21.33 N ATOM 0 H ARG A 57 -3.357 -5.502 -20.304 1.00 23.11 H new ATOM 0 HA ARG A 57 -1.642 -3.829 -22.046 1.00 63.31 H new ATOM 0 HB2 ARG A 57 -4.072 -2.585 -22.070 1.00 21.40 H new ATOM 0 HB3 ARG A 57 -3.510 -3.680 -23.319 1.00 21.40 H new ATOM 0 HG2 ARG A 57 -4.583 -5.544 -21.787 1.00 32.15 H new ATOM 0 HG3 ARG A 57 -5.467 -4.203 -21.087 1.00 32.15 H new ATOM 0 HD2 ARG A 57 -5.454 -4.104 -24.024 1.00 51.44 H new ATOM 0 HD3 ARG A 57 -6.133 -5.602 -23.420 1.00 51.44 H new ATOM 0 HE ARG A 57 -7.964 -4.436 -22.538 1.00 2.51 H new ATOM 0 HH11 ARG A 57 -5.418 -2.222 -23.576 1.00 1.13 H new ATOM 0 HH12 ARG A 57 -6.438 -0.788 -23.419 1.00 1.13 H new ATOM 0 HH21 ARG A 57 -9.271 -2.590 -22.342 1.00 21.33 H new ATOM 0 HH22 ARG A 57 -8.613 -0.996 -22.723 1.00 21.33 H new ATOM 886 N VAL A 58 -1.976 -1.739 -20.554 1.00 4.11 N ATOM 887 CA VAL A 58 -1.828 -0.709 -19.532 1.00 63.04 C ATOM 888 C VAL A 58 -2.884 0.379 -19.693 1.00 51.41 C ATOM 889 O VAL A 58 -3.076 0.918 -20.784 1.00 15.22 O ATOM 890 CB VAL A 58 -0.431 -0.064 -19.582 1.00 63.51 C ATOM 891 CG1 VAL A 58 -0.411 1.230 -18.784 1.00 40.32 C ATOM 892 CG2 VAL A 58 0.622 -1.034 -19.068 1.00 4.53 C ATOM 0 H VAL A 58 -1.707 -1.443 -21.493 1.00 4.11 H new ATOM 0 HA VAL A 58 -1.958 -1.199 -18.567 1.00 63.04 H new ATOM 0 HB VAL A 58 -0.197 0.174 -20.620 1.00 63.51 H new ATOM 0 HG11 VAL A 58 0.585 1.671 -18.831 1.00 40.32 H new ATOM 0 HG12 VAL A 58 -1.137 1.927 -19.203 1.00 40.32 H new ATOM 0 HG13 VAL A 58 -0.666 1.021 -17.745 1.00 40.32 H new ATOM 0 HG21 VAL A 58 1.603 -0.562 -19.110 1.00 4.53 H new ATOM 0 HG22 VAL A 58 0.394 -1.306 -18.037 1.00 4.53 H new ATOM 0 HG23 VAL A 58 0.624 -1.931 -19.688 1.00 4.53 H new ATOM 902 N LEU A 59 -3.566 0.699 -18.599 1.00 15.43 N ATOM 903 CA LEU A 59 -4.604 1.725 -18.616 1.00 34.31 C ATOM 904 C LEU A 59 -3.997 3.109 -18.817 1.00 21.21 C ATOM 905 O LEU A 59 -2.821 3.345 -18.540 1.00 11.11 O ATOM 906 CB LEU A 59 -5.405 1.689 -17.314 1.00 54.51 C ATOM 907 CG LEU A 59 -6.412 0.547 -17.175 1.00 25.22 C ATOM 908 CD1 LEU A 59 -6.966 0.493 -15.760 1.00 21.00 C ATOM 909 CD2 LEU A 59 -7.538 0.702 -18.186 1.00 53.11 C ATOM 0 H LEU A 59 -3.419 0.263 -17.689 1.00 15.43 H new ATOM 0 HA LEU A 59 -5.273 1.518 -19.451 1.00 34.31 H new ATOM 0 HB2 LEU A 59 -4.704 1.631 -16.481 1.00 54.51 H new ATOM 0 HB3 LEU A 59 -5.941 2.633 -17.215 1.00 54.51 H new ATOM 0 HG LEU A 59 -5.897 -0.392 -17.377 1.00 25.22 H new ATOM 0 HD11 LEU A 59 -7.681 -0.326 -15.680 1.00 21.00 H new ATOM 0 HD12 LEU A 59 -6.150 0.332 -15.056 1.00 21.00 H new ATOM 0 HD13 LEU A 59 -7.465 1.434 -15.528 1.00 21.00 H new ATOM 0 HD21 LEU A 59 -8.245 -0.120 -18.072 1.00 53.11 H new ATOM 0 HD22 LEU A 59 -8.051 1.648 -18.017 1.00 53.11 H new ATOM 0 HD23 LEU A 59 -7.126 0.689 -19.195 1.00 53.11 H new ATOM 921 N PRO A 60 -4.818 4.050 -19.309 1.00 12.12 N ATOM 922 CA PRO A 60 -4.385 5.428 -19.554 1.00 3.22 C ATOM 923 C PRO A 60 -4.124 6.193 -18.262 1.00 1.55 C ATOM 924 O PRO A 60 -3.392 7.182 -18.251 1.00 42.44 O ATOM 925 CB PRO A 60 -5.567 6.042 -20.309 1.00 60.50 C ATOM 926 CG PRO A 60 -6.746 5.234 -19.888 1.00 0.21 C ATOM 927 CD PRO A 60 -6.232 3.839 -19.662 1.00 3.53 C ATOM 0 HA PRO A 60 -3.444 5.467 -20.102 1.00 3.22 H new ATOM 0 HB2 PRO A 60 -5.696 7.094 -20.054 1.00 60.50 H new ATOM 0 HB3 PRO A 60 -5.417 5.992 -21.387 1.00 60.50 H new ATOM 0 HG2 PRO A 60 -7.191 5.638 -18.979 1.00 0.21 H new ATOM 0 HG3 PRO A 60 -7.521 5.245 -20.655 1.00 0.21 H new ATOM 0 HD2 PRO A 60 -6.775 3.335 -18.862 1.00 3.53 H new ATOM 0 HD3 PRO A 60 -6.336 3.223 -20.555 1.00 3.53 H new ATOM 935 N ASN A 61 -4.726 5.728 -17.171 1.00 64.13 N ATOM 936 CA ASN A 61 -4.558 6.368 -15.872 1.00 42.24 C ATOM 937 C ASN A 61 -3.277 5.893 -15.193 1.00 50.51 C ATOM 938 O ASN A 61 -2.962 6.310 -14.079 1.00 63.24 O ATOM 939 CB ASN A 61 -5.763 6.076 -14.976 1.00 61.30 C ATOM 940 CG ASN A 61 -6.125 4.603 -14.957 1.00 3.21 C ATOM 941 OD1 ASN A 61 -5.311 3.748 -15.306 1.00 41.11 O ATOM 942 ND2 ASN A 61 -7.351 4.302 -14.547 1.00 74.54 N ATOM 0 H ASN A 61 -5.335 4.910 -17.162 1.00 64.13 H new ATOM 0 HA ASN A 61 -4.486 7.444 -16.032 1.00 42.24 H new ATOM 0 HB2 ASN A 61 -5.546 6.407 -13.960 1.00 61.30 H new ATOM 0 HB3 ASN A 61 -6.620 6.654 -15.324 1.00 61.30 H new ATOM 0 HD21 ASN A 61 -7.652 3.328 -14.512 1.00 74.54 H new ATOM 0 HD22 ASN A 61 -7.992 5.045 -14.267 1.00 74.54 H new ATOM 949 N GLY A 62 -2.543 5.018 -15.873 1.00 40.52 N ATOM 950 CA GLY A 62 -1.304 4.501 -15.320 1.00 15.24 C ATOM 951 C GLY A 62 -1.510 3.218 -14.539 1.00 71.01 C ATOM 952 O GLY A 62 -0.786 2.943 -13.582 1.00 33.34 O ATOM 0 H GLY A 62 -2.784 4.658 -16.796 1.00 40.52 H new ATOM 0 HA2 GLY A 62 -0.596 4.321 -16.129 1.00 15.24 H new ATOM 0 HA3 GLY A 62 -0.859 5.253 -14.668 1.00 15.24 H new ATOM 956 N SER A 63 -2.502 2.431 -14.946 1.00 1.25 N ATOM 957 CA SER A 63 -2.803 1.173 -14.274 1.00 54.41 C ATOM 958 C SER A 63 -2.517 -0.014 -15.188 1.00 53.33 C ATOM 959 O SER A 63 -2.107 0.158 -16.337 1.00 31.43 O ATOM 960 CB SER A 63 -4.267 1.147 -13.828 1.00 53.45 C ATOM 961 OG SER A 63 -4.433 1.801 -12.583 1.00 12.43 O ATOM 0 H SER A 63 -3.110 2.643 -15.737 1.00 1.25 H new ATOM 0 HA SER A 63 -2.161 1.096 -13.396 1.00 54.41 H new ATOM 0 HB2 SER A 63 -4.889 1.630 -14.582 1.00 53.45 H new ATOM 0 HB3 SER A 63 -4.608 0.115 -13.748 1.00 53.45 H new ATOM 0 HG SER A 63 -5.377 1.772 -12.322 1.00 12.43 H new ATOM 967 N LEU A 64 -2.737 -1.218 -14.672 1.00 14.43 N ATOM 968 CA LEU A 64 -2.503 -2.435 -15.439 1.00 43.04 C ATOM 969 C LEU A 64 -3.720 -3.352 -15.390 1.00 34.51 C ATOM 970 O LEU A 64 -4.232 -3.666 -14.315 1.00 33.32 O ATOM 971 CB LEU A 64 -1.273 -3.171 -14.906 1.00 12.22 C ATOM 972 CG LEU A 64 -1.117 -4.626 -15.349 1.00 70.21 C ATOM 973 CD1 LEU A 64 -0.882 -4.705 -16.849 1.00 53.24 C ATOM 974 CD2 LEU A 64 0.023 -5.294 -14.593 1.00 73.41 C ATOM 0 H LEU A 64 -3.078 -1.377 -13.724 1.00 14.43 H new ATOM 0 HA LEU A 64 -2.326 -2.152 -16.477 1.00 43.04 H new ATOM 0 HB2 LEU A 64 -0.384 -2.621 -15.214 1.00 12.22 H new ATOM 0 HB3 LEU A 64 -1.303 -3.145 -13.817 1.00 12.22 H new ATOM 0 HG LEU A 64 -2.040 -5.157 -15.118 1.00 70.21 H new ATOM 0 HD11 LEU A 64 -0.773 -5.748 -17.146 1.00 53.24 H new ATOM 0 HD12 LEU A 64 -1.730 -4.265 -17.374 1.00 53.24 H new ATOM 0 HD13 LEU A 64 0.026 -4.159 -17.104 1.00 53.24 H new ATOM 0 HD21 LEU A 64 0.120 -6.329 -14.921 1.00 73.41 H new ATOM 0 HD22 LEU A 64 0.953 -4.762 -14.792 1.00 73.41 H new ATOM 0 HD23 LEU A 64 -0.186 -5.270 -13.524 1.00 73.41 H new ATOM 986 N PHE A 65 -4.180 -3.782 -16.562 1.00 0.14 N ATOM 987 CA PHE A 65 -5.336 -4.665 -16.652 1.00 55.21 C ATOM 988 C PHE A 65 -5.006 -5.913 -17.465 1.00 4.53 C ATOM 989 O PHE A 65 -4.415 -5.828 -18.542 1.00 65.13 O ATOM 990 CB PHE A 65 -6.519 -3.928 -17.286 1.00 1.22 C ATOM 991 CG PHE A 65 -7.672 -4.828 -17.629 1.00 24.31 C ATOM 992 CD1 PHE A 65 -8.125 -5.772 -16.722 1.00 50.24 C ATOM 993 CD2 PHE A 65 -8.302 -4.729 -18.859 1.00 23.52 C ATOM 994 CE1 PHE A 65 -9.185 -6.602 -17.036 1.00 10.32 C ATOM 995 CE2 PHE A 65 -9.361 -5.557 -19.179 1.00 52.23 C ATOM 996 CZ PHE A 65 -9.804 -6.493 -18.266 1.00 51.41 C ATOM 0 H PHE A 65 -3.769 -3.533 -17.462 1.00 0.14 H new ATOM 0 HA PHE A 65 -5.606 -4.972 -15.642 1.00 55.21 H new ATOM 0 HB2 PHE A 65 -6.864 -3.154 -16.601 1.00 1.22 H new ATOM 0 HB3 PHE A 65 -6.180 -3.424 -18.191 1.00 1.22 H new ATOM 0 HD1 PHE A 65 -7.645 -5.861 -15.759 1.00 50.24 H new ATOM 0 HD2 PHE A 65 -7.962 -3.996 -19.576 1.00 23.52 H new ATOM 0 HE1 PHE A 65 -9.529 -7.335 -16.321 1.00 10.32 H new ATOM 0 HE2 PHE A 65 -9.842 -5.472 -20.142 1.00 52.23 H new ATOM 0 HZ PHE A 65 -10.633 -7.139 -18.513 1.00 51.41 H new ATOM 1006 N LEU A 66 -5.392 -7.072 -16.942 1.00 44.40 N ATOM 1007 CA LEU A 66 -5.136 -8.339 -17.618 1.00 33.11 C ATOM 1008 C LEU A 66 -6.443 -9.011 -18.025 1.00 64.44 C ATOM 1009 O LEU A 66 -7.371 -9.154 -17.230 1.00 51.04 O ATOM 1010 CB LEU A 66 -4.332 -9.271 -16.710 1.00 52.33 C ATOM 1011 CG LEU A 66 -2.928 -8.795 -16.334 1.00 31.11 C ATOM 1012 CD1 LEU A 66 -2.815 -8.600 -14.830 1.00 53.54 C ATOM 1013 CD2 LEU A 66 -1.881 -9.785 -16.824 1.00 62.11 C ATOM 0 H LEU A 66 -5.883 -7.160 -16.052 1.00 44.40 H new ATOM 0 HA LEU A 66 -4.558 -8.132 -18.519 1.00 33.11 H new ATOM 0 HB2 LEU A 66 -4.898 -9.429 -15.792 1.00 52.33 H new ATOM 0 HB3 LEU A 66 -4.246 -10.240 -17.202 1.00 52.33 H new ATOM 0 HG LEU A 66 -2.749 -7.835 -16.819 1.00 31.11 H new ATOM 0 HD11 LEU A 66 -1.809 -8.261 -14.582 1.00 53.54 H new ATOM 0 HD12 LEU A 66 -3.540 -7.854 -14.504 1.00 53.54 H new ATOM 0 HD13 LEU A 66 -3.015 -9.545 -14.325 1.00 53.54 H new ATOM 0 HD21 LEU A 66 -0.888 -9.431 -16.548 1.00 62.11 H new ATOM 0 HD22 LEU A 66 -2.059 -10.759 -16.367 1.00 62.11 H new ATOM 0 HD23 LEU A 66 -1.945 -9.876 -17.908 1.00 62.11 H new ATOM 1025 N PRO A 67 -6.518 -9.438 -19.296 1.00 50.24 N ATOM 1026 CA PRO A 67 -7.705 -10.104 -19.838 1.00 34.42 C ATOM 1027 C PRO A 67 -7.903 -11.499 -19.256 1.00 14.14 C ATOM 1028 O PRO A 67 -9.033 -11.955 -19.080 1.00 61.02 O ATOM 1029 CB PRO A 67 -7.410 -10.189 -21.338 1.00 53.33 C ATOM 1030 CG PRO A 67 -5.924 -10.167 -21.434 1.00 55.25 C ATOM 1031 CD PRO A 67 -5.449 -9.302 -20.299 1.00 45.40 C ATOM 0 HA PRO A 67 -8.621 -9.563 -19.599 1.00 34.42 H new ATOM 0 HB2 PRO A 67 -7.821 -11.101 -21.771 1.00 53.33 H new ATOM 0 HB3 PRO A 67 -7.854 -9.352 -21.877 1.00 53.33 H new ATOM 0 HG2 PRO A 67 -5.513 -11.173 -21.356 1.00 55.25 H new ATOM 0 HG3 PRO A 67 -5.601 -9.764 -22.394 1.00 55.25 H new ATOM 0 HD2 PRO A 67 -4.488 -9.640 -19.911 1.00 45.40 H new ATOM 0 HD3 PRO A 67 -5.320 -8.265 -20.611 1.00 45.40 H new ATOM 1039 N ALA A 68 -6.798 -12.173 -18.955 1.00 64.31 N ATOM 1040 CA ALA A 68 -6.851 -13.515 -18.390 1.00 1.43 C ATOM 1041 C ALA A 68 -5.469 -13.974 -17.933 1.00 62.13 C ATOM 1042 O ALA A 68 -4.643 -14.390 -18.745 1.00 61.41 O ATOM 1043 CB ALA A 68 -7.426 -14.494 -19.403 1.00 43.34 C ATOM 0 H ALA A 68 -5.855 -11.811 -19.093 1.00 64.31 H new ATOM 0 HA ALA A 68 -7.504 -13.488 -17.517 1.00 1.43 H new ATOM 0 HB1 ALA A 68 -7.459 -15.492 -18.966 1.00 43.34 H new ATOM 0 HB2 ALA A 68 -8.435 -14.184 -19.677 1.00 43.34 H new ATOM 0 HB3 ALA A 68 -6.797 -14.508 -20.293 1.00 43.34 H new ATOM 1049 N VAL A 69 -5.224 -13.893 -16.630 1.00 31.22 N ATOM 1050 CA VAL A 69 -3.943 -14.301 -16.065 1.00 70.25 C ATOM 1051 C VAL A 69 -3.807 -15.819 -16.051 1.00 3.12 C ATOM 1052 O VAL A 69 -4.540 -16.512 -15.347 1.00 55.04 O ATOM 1053 CB VAL A 69 -3.765 -13.767 -14.632 1.00 40.44 C ATOM 1054 CG1 VAL A 69 -3.553 -12.260 -14.646 1.00 72.10 C ATOM 1055 CG2 VAL A 69 -4.965 -14.136 -13.773 1.00 63.41 C ATOM 0 H VAL A 69 -5.896 -13.548 -15.945 1.00 31.22 H new ATOM 0 HA VAL A 69 -3.167 -13.876 -16.701 1.00 70.25 H new ATOM 0 HB VAL A 69 -2.879 -14.231 -14.198 1.00 40.44 H new ATOM 0 HG11 VAL A 69 -3.429 -11.900 -13.624 1.00 72.10 H new ATOM 0 HG12 VAL A 69 -2.660 -12.024 -15.225 1.00 72.10 H new ATOM 0 HG13 VAL A 69 -4.418 -11.775 -15.099 1.00 72.10 H new ATOM 0 HG21 VAL A 69 -4.822 -13.751 -12.763 1.00 63.41 H new ATOM 0 HG22 VAL A 69 -5.868 -13.702 -14.203 1.00 63.41 H new ATOM 0 HG23 VAL A 69 -5.066 -15.221 -13.736 1.00 63.41 H new ATOM 1065 N GLY A 70 -2.861 -16.331 -16.834 1.00 15.44 N ATOM 1066 CA GLY A 70 -2.645 -17.764 -16.895 1.00 35.30 C ATOM 1067 C GLY A 70 -1.736 -18.263 -15.789 1.00 11.40 C ATOM 1068 O GLY A 70 -1.043 -17.474 -15.145 1.00 52.20 O ATOM 0 H GLY A 70 -2.241 -15.778 -17.426 1.00 15.44 H new ATOM 0 HA2 GLY A 70 -3.605 -18.276 -16.830 1.00 35.30 H new ATOM 0 HA3 GLY A 70 -2.211 -18.022 -17.861 1.00 35.30 H new ATOM 1072 N ILE A 71 -1.739 -19.572 -15.567 1.00 61.30 N ATOM 1073 CA ILE A 71 -0.909 -20.173 -14.531 1.00 23.41 C ATOM 1074 C ILE A 71 0.556 -19.788 -14.709 1.00 13.32 C ATOM 1075 O ILE A 71 1.298 -19.667 -13.734 1.00 14.13 O ATOM 1076 CB ILE A 71 -1.028 -21.709 -14.534 1.00 42.23 C ATOM 1077 CG1 ILE A 71 -0.755 -22.266 -13.135 1.00 71.31 C ATOM 1078 CG2 ILE A 71 -0.066 -22.312 -15.547 1.00 13.11 C ATOM 1079 CD1 ILE A 71 0.156 -23.473 -13.132 1.00 70.44 C ATOM 0 H ILE A 71 -2.307 -20.238 -16.091 1.00 61.30 H new ATOM 0 HA ILE A 71 -1.270 -19.791 -13.576 1.00 23.41 H new ATOM 0 HB ILE A 71 -2.044 -21.980 -14.821 1.00 42.23 H new ATOM 0 HG12 ILE A 71 -0.309 -21.483 -12.522 1.00 71.31 H new ATOM 0 HG13 ILE A 71 -1.703 -22.535 -12.669 1.00 71.31 H new ATOM 0 HG21 ILE A 71 -0.161 -23.398 -15.538 1.00 13.11 H new ATOM 0 HG22 ILE A 71 -0.302 -21.935 -16.542 1.00 13.11 H new ATOM 0 HG23 ILE A 71 0.956 -22.035 -15.288 1.00 13.11 H new ATOM 0 HD11 ILE A 71 0.305 -23.814 -12.107 1.00 70.44 H new ATOM 0 HD12 ILE A 71 -0.297 -24.273 -13.718 1.00 70.44 H new ATOM 0 HD13 ILE A 71 1.118 -23.204 -13.569 1.00 70.44 H new ATOM 1091 N GLN A 72 0.964 -19.593 -15.959 1.00 11.44 N ATOM 1092 CA GLN A 72 2.341 -19.220 -16.263 1.00 15.22 C ATOM 1093 C GLN A 72 2.591 -17.751 -15.936 1.00 74.14 C ATOM 1094 O GLN A 72 3.730 -17.338 -15.720 1.00 1.05 O ATOM 1095 CB GLN A 72 2.650 -19.487 -17.736 1.00 42.43 C ATOM 1096 CG GLN A 72 2.651 -20.962 -18.100 1.00 24.20 C ATOM 1097 CD GLN A 72 3.025 -21.206 -19.549 1.00 13.21 C ATOM 1098 OE1 GLN A 72 2.317 -21.904 -20.276 1.00 50.21 O ATOM 1099 NE2 GLN A 72 4.142 -20.631 -19.977 1.00 61.25 N ATOM 0 H GLN A 72 0.362 -19.687 -16.777 1.00 11.44 H new ATOM 0 HA GLN A 72 3.001 -19.828 -15.645 1.00 15.22 H new ATOM 0 HB2 GLN A 72 1.915 -18.970 -18.352 1.00 42.43 H new ATOM 0 HB3 GLN A 72 3.624 -19.061 -17.977 1.00 42.43 H new ATOM 0 HG2 GLN A 72 3.352 -21.491 -17.454 1.00 24.20 H new ATOM 0 HG3 GLN A 72 1.663 -21.380 -17.909 1.00 24.20 H new ATOM 0 HE21 GLN A 72 4.698 -20.061 -19.340 1.00 61.25 H new ATOM 0 HE22 GLN A 72 4.444 -20.759 -20.943 1.00 61.25 H new ATOM 1108 N ASP A 73 1.519 -16.966 -15.902 1.00 22.42 N ATOM 1109 CA ASP A 73 1.623 -15.544 -15.601 1.00 41.34 C ATOM 1110 C ASP A 73 1.871 -15.320 -14.113 1.00 0.42 C ATOM 1111 O ASP A 73 2.079 -14.189 -13.672 1.00 31.43 O ATOM 1112 CB ASP A 73 0.349 -14.816 -16.034 1.00 41.52 C ATOM 1113 CG ASP A 73 0.522 -14.079 -17.348 1.00 35.52 C ATOM 1114 OD1 ASP A 73 1.008 -14.700 -18.317 1.00 15.32 O ATOM 1115 OD2 ASP A 73 0.168 -12.884 -17.408 1.00 51.42 O ATOM 0 H ASP A 73 0.569 -17.291 -16.079 1.00 22.42 H new ATOM 0 HA ASP A 73 2.470 -15.141 -16.156 1.00 41.34 H new ATOM 0 HB2 ASP A 73 -0.463 -15.537 -16.129 1.00 41.52 H new ATOM 0 HB3 ASP A 73 0.058 -14.107 -15.259 1.00 41.52 H new ATOM 1120 N GLU A 74 1.847 -16.404 -13.344 1.00 61.20 N ATOM 1121 CA GLU A 74 2.067 -16.324 -11.905 1.00 21.32 C ATOM 1122 C GLU A 74 3.497 -15.889 -11.596 1.00 64.44 C ATOM 1123 O GLU A 74 4.442 -16.306 -12.266 1.00 43.02 O ATOM 1124 CB GLU A 74 1.780 -17.675 -11.247 1.00 4.55 C ATOM 1125 CG GLU A 74 2.847 -18.723 -11.517 1.00 24.14 C ATOM 1126 CD GLU A 74 3.914 -18.761 -10.440 1.00 50.35 C ATOM 1127 OE1 GLU A 74 3.595 -18.436 -9.278 1.00 4.23 O ATOM 1128 OE2 GLU A 74 5.068 -19.114 -10.761 1.00 72.42 O ATOM 0 H GLU A 74 1.678 -17.347 -13.693 1.00 61.20 H new ATOM 0 HA GLU A 74 1.383 -15.578 -11.500 1.00 21.32 H new ATOM 0 HB2 GLU A 74 1.687 -17.533 -10.170 1.00 4.55 H new ATOM 0 HB3 GLU A 74 0.819 -18.047 -11.604 1.00 4.55 H new ATOM 0 HG2 GLU A 74 2.377 -19.704 -11.592 1.00 24.14 H new ATOM 0 HG3 GLU A 74 3.315 -18.519 -12.480 1.00 24.14 H new ATOM 1135 N GLY A 75 3.647 -15.048 -10.579 1.00 4.24 N ATOM 1136 CA GLY A 75 4.965 -14.570 -10.200 1.00 52.40 C ATOM 1137 C GLY A 75 4.908 -13.269 -9.423 1.00 3.11 C ATOM 1138 O GLY A 75 4.066 -13.101 -8.541 1.00 73.45 O ATOM 0 H GLY A 75 2.881 -14.688 -10.010 1.00 4.24 H new ATOM 0 HA2 GLY A 75 5.464 -15.329 -9.597 1.00 52.40 H new ATOM 0 HA3 GLY A 75 5.569 -14.428 -11.097 1.00 52.40 H new ATOM 1142 N ILE A 76 5.808 -12.348 -9.751 1.00 54.51 N ATOM 1143 CA ILE A 76 5.856 -11.056 -9.077 1.00 43.24 C ATOM 1144 C ILE A 76 5.749 -9.910 -10.077 1.00 70.12 C ATOM 1145 O ILE A 76 6.433 -9.899 -11.101 1.00 70.15 O ATOM 1146 CB ILE A 76 7.155 -10.893 -8.265 1.00 40.32 C ATOM 1147 CG1 ILE A 76 7.139 -11.818 -7.046 1.00 71.02 C ATOM 1148 CG2 ILE A 76 7.332 -9.445 -7.835 1.00 43.50 C ATOM 1149 CD1 ILE A 76 8.159 -12.932 -7.121 1.00 21.14 C ATOM 0 H ILE A 76 6.513 -12.472 -10.478 1.00 54.51 H new ATOM 0 HA ILE A 76 5.005 -11.023 -8.397 1.00 43.24 H new ATOM 0 HB ILE A 76 7.999 -11.170 -8.897 1.00 40.32 H new ATOM 0 HG12 ILE A 76 7.323 -11.227 -6.149 1.00 71.02 H new ATOM 0 HG13 ILE A 76 6.145 -12.253 -6.943 1.00 71.02 H new ATOM 0 HG21 ILE A 76 8.254 -9.346 -7.262 1.00 43.50 H new ATOM 0 HG22 ILE A 76 7.382 -8.807 -8.717 1.00 43.50 H new ATOM 0 HG23 ILE A 76 6.487 -9.143 -7.217 1.00 43.50 H new ATOM 0 HD11 ILE A 76 8.091 -13.548 -6.224 1.00 21.14 H new ATOM 0 HD12 ILE A 76 7.963 -13.547 -7.999 1.00 21.14 H new ATOM 0 HD13 ILE A 76 9.159 -12.505 -7.193 1.00 21.14 H new ATOM 1161 N PHE A 77 4.885 -8.946 -9.774 1.00 43.24 N ATOM 1162 CA PHE A 77 4.689 -7.794 -10.646 1.00 51.55 C ATOM 1163 C PHE A 77 5.361 -6.552 -10.068 1.00 73.20 C ATOM 1164 O PHE A 77 5.223 -6.254 -8.881 1.00 71.44 O ATOM 1165 CB PHE A 77 3.195 -7.531 -10.849 1.00 53.04 C ATOM 1166 CG PHE A 77 2.544 -8.485 -11.810 1.00 14.10 C ATOM 1167 CD1 PHE A 77 2.537 -9.846 -11.556 1.00 23.14 C ATOM 1168 CD2 PHE A 77 1.937 -8.019 -12.965 1.00 12.32 C ATOM 1169 CE1 PHE A 77 1.939 -10.727 -12.438 1.00 2.10 C ATOM 1170 CE2 PHE A 77 1.337 -8.894 -13.851 1.00 54.51 C ATOM 1171 CZ PHE A 77 1.337 -10.250 -13.586 1.00 40.43 C ATOM 0 H PHE A 77 4.310 -8.940 -8.932 1.00 43.24 H new ATOM 0 HA PHE A 77 5.147 -8.017 -11.610 1.00 51.55 H new ATOM 0 HB2 PHE A 77 2.689 -7.596 -9.886 1.00 53.04 H new ATOM 0 HB3 PHE A 77 3.060 -6.512 -11.213 1.00 53.04 H new ATOM 0 HD1 PHE A 77 3.004 -10.224 -10.659 1.00 23.14 H new ATOM 0 HD2 PHE A 77 1.933 -6.960 -13.176 1.00 12.32 H new ATOM 0 HE1 PHE A 77 1.943 -11.787 -12.230 1.00 2.10 H new ATOM 0 HE2 PHE A 77 0.869 -8.518 -14.749 1.00 54.51 H new ATOM 0 HZ PHE A 77 0.867 -10.936 -14.275 1.00 40.43 H new ATOM 1181 N ARG A 78 6.090 -5.833 -10.914 1.00 74.21 N ATOM 1182 CA ARG A 78 6.786 -4.625 -10.488 1.00 42.52 C ATOM 1183 C ARG A 78 6.448 -3.451 -11.403 1.00 21.31 C ATOM 1184 O ARG A 78 6.395 -3.598 -12.625 1.00 14.42 O ATOM 1185 CB ARG A 78 8.297 -4.858 -10.477 1.00 21.44 C ATOM 1186 CG ARG A 78 8.694 -6.257 -10.034 1.00 2.45 C ATOM 1187 CD ARG A 78 10.204 -6.394 -9.909 1.00 41.32 C ATOM 1188 NE ARG A 78 10.890 -6.047 -11.151 1.00 35.20 N ATOM 1189 CZ ARG A 78 12.110 -6.473 -11.460 1.00 52.44 C ATOM 1190 NH1 ARG A 78 12.774 -7.256 -10.623 1.00 61.11 N ATOM 1191 NH2 ARG A 78 12.667 -6.113 -12.610 1.00 54.44 N ATOM 0 H ARG A 78 6.214 -6.066 -11.899 1.00 74.21 H new ATOM 0 HA ARG A 78 6.455 -4.383 -9.478 1.00 42.52 H new ATOM 0 HB2 ARG A 78 8.691 -4.677 -11.477 1.00 21.44 H new ATOM 0 HB3 ARG A 78 8.764 -4.130 -9.814 1.00 21.44 H new ATOM 0 HG2 ARG A 78 8.226 -6.483 -9.076 1.00 2.45 H new ATOM 0 HG3 ARG A 78 8.319 -6.987 -10.751 1.00 2.45 H new ATOM 0 HD2 ARG A 78 10.561 -5.750 -9.106 1.00 41.32 H new ATOM 0 HD3 ARG A 78 10.453 -7.418 -9.631 1.00 41.32 H new ATOM 0 HE ARG A 78 10.406 -5.445 -11.817 1.00 35.20 H new ATOM 0 HH11 ARG A 78 12.349 -7.534 -9.738 1.00 61.11 H new ATOM 0 HH12 ARG A 78 13.710 -7.581 -10.863 1.00 61.11 H new ATOM 0 HH21 ARG A 78 12.158 -5.509 -13.256 1.00 54.44 H new ATOM 0 HH22 ARG A 78 13.604 -6.440 -12.847 1.00 54.44 H new ATOM 1205 N CYS A 79 6.221 -2.287 -10.804 1.00 42.33 N ATOM 1206 CA CYS A 79 5.888 -1.088 -11.564 1.00 14.54 C ATOM 1207 C CYS A 79 6.844 0.052 -11.227 1.00 3.30 C ATOM 1208 O CYS A 79 7.413 0.098 -10.137 1.00 32.22 O ATOM 1209 CB CYS A 79 4.447 -0.660 -11.275 1.00 32.03 C ATOM 1210 SG CYS A 79 4.302 0.963 -10.460 1.00 34.12 S ATOM 0 H CYS A 79 6.262 -2.148 -9.794 1.00 42.33 H new ATOM 0 HA CYS A 79 5.986 -1.321 -12.624 1.00 14.54 H new ATOM 0 HB2 CYS A 79 3.892 -0.634 -12.213 1.00 32.03 H new ATOM 0 HB3 CYS A 79 3.975 -1.414 -10.645 1.00 32.03 H new ATOM 1215 N GLN A 80 7.017 0.970 -12.173 1.00 52.21 N ATOM 1216 CA GLN A 80 7.906 2.110 -11.978 1.00 32.44 C ATOM 1217 C GLN A 80 7.295 3.382 -12.556 1.00 65.35 C ATOM 1218 O GLN A 80 6.822 3.393 -13.693 1.00 51.43 O ATOM 1219 CB GLN A 80 9.265 1.841 -12.626 1.00 72.51 C ATOM 1220 CG GLN A 80 9.795 3.014 -13.435 1.00 53.21 C ATOM 1221 CD GLN A 80 11.183 2.760 -13.990 1.00 75.21 C ATOM 1222 OE1 GLN A 80 11.453 1.700 -14.556 1.00 53.01 O ATOM 1223 NE2 GLN A 80 12.072 3.732 -13.831 1.00 40.53 N ATOM 0 H GLN A 80 6.554 0.947 -13.081 1.00 52.21 H new ATOM 0 HA GLN A 80 8.045 2.251 -10.906 1.00 32.44 H new ATOM 0 HB2 GLN A 80 9.986 1.591 -11.848 1.00 72.51 H new ATOM 0 HB3 GLN A 80 9.183 0.970 -13.276 1.00 72.51 H new ATOM 0 HG2 GLN A 80 9.111 3.222 -14.258 1.00 53.21 H new ATOM 0 HG3 GLN A 80 9.816 3.904 -12.806 1.00 53.21 H new ATOM 0 HE21 GLN A 80 11.805 4.594 -13.356 1.00 40.53 H new ATOM 0 HE22 GLN A 80 13.022 3.617 -14.184 1.00 40.53 H new ATOM 1232 N ALA A 81 7.309 4.451 -11.767 1.00 51.32 N ATOM 1233 CA ALA A 81 6.757 5.729 -12.203 1.00 20.03 C ATOM 1234 C ALA A 81 7.729 6.869 -11.922 1.00 1.42 C ATOM 1235 O ALA A 81 8.659 6.724 -11.128 1.00 71.54 O ATOM 1236 CB ALA A 81 5.423 5.988 -11.519 1.00 4.24 C ATOM 0 H ALA A 81 7.696 4.458 -10.823 1.00 51.32 H new ATOM 0 HA ALA A 81 6.596 5.680 -13.280 1.00 20.03 H new ATOM 0 HB1 ALA A 81 5.022 6.945 -11.853 1.00 4.24 H new ATOM 0 HB2 ALA A 81 4.723 5.192 -11.774 1.00 4.24 H new ATOM 0 HB3 ALA A 81 5.567 6.012 -10.439 1.00 4.24 H new ATOM 1242 N MET A 82 7.508 8.004 -12.577 1.00 53.03 N ATOM 1243 CA MET A 82 8.364 9.171 -12.397 1.00 21.25 C ATOM 1244 C MET A 82 7.533 10.418 -12.117 1.00 33.12 C ATOM 1245 O MET A 82 6.641 10.767 -12.889 1.00 71.13 O ATOM 1246 CB MET A 82 9.232 9.389 -13.637 1.00 41.44 C ATOM 1247 CG MET A 82 10.217 10.539 -13.495 1.00 14.02 C ATOM 1248 SD MET A 82 11.641 10.111 -12.475 1.00 61.15 S ATOM 1249 CE MET A 82 12.308 8.723 -13.391 1.00 15.30 C ATOM 0 H MET A 82 6.743 8.141 -13.238 1.00 53.03 H new ATOM 0 HA MET A 82 9.010 8.988 -11.538 1.00 21.25 H new ATOM 0 HB2 MET A 82 9.783 8.473 -13.850 1.00 41.44 H new ATOM 0 HB3 MET A 82 8.586 9.579 -14.494 1.00 41.44 H new ATOM 0 HG2 MET A 82 10.561 10.842 -14.484 1.00 14.02 H new ATOM 0 HG3 MET A 82 9.707 11.398 -13.058 1.00 14.02 H new ATOM 0 HE1 MET A 82 13.365 8.604 -13.153 1.00 15.30 H new ATOM 0 HE2 MET A 82 11.771 7.815 -13.118 1.00 15.30 H new ATOM 0 HE3 MET A 82 12.195 8.904 -14.460 1.00 15.30 H new ATOM 1259 N ASN A 83 7.830 11.085 -11.006 1.00 72.24 N ATOM 1260 CA ASN A 83 7.109 12.294 -10.624 1.00 31.21 C ATOM 1261 C ASN A 83 7.767 13.533 -11.223 1.00 23.11 C ATOM 1262 O ASN A 83 8.847 13.453 -11.810 1.00 33.43 O ATOM 1263 CB ASN A 83 7.051 12.419 -9.100 1.00 64.33 C ATOM 1264 CG ASN A 83 5.912 11.619 -8.497 1.00 71.45 C ATOM 1265 OD1 ASN A 83 4.846 12.160 -8.205 1.00 12.14 O ATOM 1266 ND2 ASN A 83 6.134 10.324 -8.308 1.00 71.34 N ATOM 0 H ASN A 83 8.565 10.809 -10.355 1.00 72.24 H new ATOM 0 HA ASN A 83 6.094 12.220 -11.014 1.00 31.21 H new ATOM 0 HB2 ASN A 83 7.995 12.079 -8.674 1.00 64.33 H new ATOM 0 HB3 ASN A 83 6.938 13.469 -8.828 1.00 64.33 H new ATOM 0 HD21 ASN A 83 5.405 9.735 -7.906 1.00 71.34 H new ATOM 0 HD22 ASN A 83 7.034 9.918 -8.565 1.00 71.34 H new ATOM 1273 N ARG A 84 7.111 14.679 -11.069 1.00 30.22 N ATOM 1274 CA ARG A 84 7.633 15.935 -11.594 1.00 31.41 C ATOM 1275 C ARG A 84 8.845 16.397 -10.793 1.00 11.43 C ATOM 1276 O ARG A 84 9.627 17.227 -11.254 1.00 72.20 O ATOM 1277 CB ARG A 84 6.548 17.013 -11.567 1.00 35.21 C ATOM 1278 CG ARG A 84 6.250 17.541 -10.173 1.00 10.43 C ATOM 1279 CD ARG A 84 4.905 18.249 -10.121 1.00 5.14 C ATOM 1280 NE ARG A 84 4.924 19.515 -10.849 1.00 64.31 N ATOM 1281 CZ ARG A 84 3.879 20.331 -10.931 1.00 60.33 C ATOM 1282 NH1 ARG A 84 2.739 20.017 -10.332 1.00 63.32 N ATOM 1283 NH2 ARG A 84 3.974 21.466 -11.613 1.00 63.22 N ATOM 0 H ARG A 84 6.217 14.763 -10.585 1.00 30.22 H new ATOM 0 HA ARG A 84 7.944 15.768 -12.625 1.00 31.41 H new ATOM 0 HB2 ARG A 84 6.856 17.843 -12.203 1.00 35.21 H new ATOM 0 HB3 ARG A 84 5.632 16.606 -11.996 1.00 35.21 H new ATOM 0 HG2 ARG A 84 6.256 16.716 -9.461 1.00 10.43 H new ATOM 0 HG3 ARG A 84 7.037 18.230 -9.868 1.00 10.43 H new ATOM 0 HD2 ARG A 84 4.137 17.600 -10.542 1.00 5.14 H new ATOM 0 HD3 ARG A 84 4.632 18.433 -9.082 1.00 5.14 H new ATOM 0 HE ARG A 84 5.787 19.787 -11.320 1.00 64.31 H new ATOM 0 HH11 ARG A 84 2.662 19.146 -9.806 1.00 63.32 H new ATOM 0 HH12 ARG A 84 1.939 20.646 -10.397 1.00 63.32 H new ATOM 0 HH21 ARG A 84 4.850 21.712 -12.074 1.00 63.22 H new ATOM 0 HH22 ARG A 84 3.171 22.092 -11.676 1.00 63.22 H new ATOM 1297 N ASN A 85 8.995 15.854 -9.588 1.00 60.13 N ATOM 1298 CA ASN A 85 10.112 16.213 -8.722 1.00 33.24 C ATOM 1299 C ASN A 85 11.412 15.597 -9.229 1.00 22.34 C ATOM 1300 O ASN A 85 12.502 16.053 -8.887 1.00 40.32 O ATOM 1301 CB ASN A 85 9.840 15.751 -7.288 1.00 21.10 C ATOM 1302 CG ASN A 85 9.119 16.804 -6.469 1.00 32.43 C ATOM 1303 OD1 ASN A 85 9.600 17.225 -5.417 1.00 62.32 O ATOM 1304 ND2 ASN A 85 7.958 17.234 -6.949 1.00 10.02 N ATOM 0 H ASN A 85 8.357 15.164 -9.190 1.00 60.13 H new ATOM 0 HA ASN A 85 10.216 17.298 -8.734 1.00 33.24 H new ATOM 0 HB2 ASN A 85 9.243 14.840 -7.310 1.00 21.10 H new ATOM 0 HB3 ASN A 85 10.784 15.502 -6.804 1.00 21.10 H new ATOM 0 HD21 ASN A 85 7.427 17.942 -6.441 1.00 10.02 H new ATOM 0 HD22 ASN A 85 7.597 16.857 -7.825 1.00 10.02 H new ATOM 1311 N GLY A 86 11.289 14.555 -10.046 1.00 50.43 N ATOM 1312 CA GLY A 86 12.462 13.894 -10.587 1.00 63.21 C ATOM 1313 C GLY A 86 12.679 12.518 -9.990 1.00 11.22 C ATOM 1314 O GLY A 86 13.433 11.709 -10.532 1.00 50.23 O ATOM 0 H GLY A 86 10.398 14.157 -10.343 1.00 50.43 H new ATOM 0 HA2 GLY A 86 12.359 13.805 -11.668 1.00 63.21 H new ATOM 0 HA3 GLY A 86 13.341 14.511 -10.400 1.00 63.21 H new ATOM 1318 N LYS A 87 12.020 12.252 -8.867 1.00 73.14 N ATOM 1319 CA LYS A 87 12.144 10.965 -8.193 1.00 65.34 C ATOM 1320 C LYS A 87 11.176 9.945 -8.784 1.00 65.02 C ATOM 1321 O LYS A 87 10.078 10.297 -9.214 1.00 32.45 O ATOM 1322 CB LYS A 87 11.882 11.124 -6.694 1.00 21.14 C ATOM 1323 CG LYS A 87 12.798 12.130 -6.020 1.00 11.12 C ATOM 1324 CD LYS A 87 14.098 11.486 -5.569 1.00 70.00 C ATOM 1325 CE LYS A 87 15.174 11.594 -6.639 1.00 44.42 C ATOM 1326 NZ LYS A 87 16.543 11.559 -6.054 1.00 64.41 N ATOM 0 H LYS A 87 11.394 12.911 -8.404 1.00 73.14 H new ATOM 0 HA LYS A 87 13.161 10.602 -8.341 1.00 65.34 H new ATOM 0 HB2 LYS A 87 10.847 11.431 -6.545 1.00 21.14 H new ATOM 0 HB3 LYS A 87 12.000 10.155 -6.208 1.00 21.14 H new ATOM 0 HG2 LYS A 87 13.015 12.945 -6.710 1.00 11.12 H new ATOM 0 HG3 LYS A 87 12.290 12.567 -5.160 1.00 11.12 H new ATOM 0 HD2 LYS A 87 14.444 11.965 -4.653 1.00 70.00 H new ATOM 0 HD3 LYS A 87 13.923 10.437 -5.332 1.00 70.00 H new ATOM 0 HE2 LYS A 87 15.062 10.776 -7.351 1.00 44.42 H new ATOM 0 HE3 LYS A 87 15.041 12.521 -7.196 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 17.248 11.635 -6.815 1.00 64.41 H new ATOM 0 HZ2 LYS A 87 16.659 12.354 -5.394 1.00 64.41 H new ATOM 0 HZ3 LYS A 87 16.680 10.663 -5.544 1.00 64.41 H new ATOM 1340 N GLU A 88 11.591 8.683 -8.801 1.00 64.24 N ATOM 1341 CA GLU A 88 10.759 7.614 -9.340 1.00 34.34 C ATOM 1342 C GLU A 88 10.167 6.767 -8.217 1.00 34.44 C ATOM 1343 O GLU A 88 10.812 6.531 -7.195 1.00 24.44 O ATOM 1344 CB GLU A 88 11.574 6.728 -10.285 1.00 3.11 C ATOM 1345 CG GLU A 88 12.339 5.622 -9.576 1.00 52.24 C ATOM 1346 CD GLU A 88 13.306 6.156 -8.537 1.00 31.12 C ATOM 1347 OE1 GLU A 88 13.928 7.209 -8.791 1.00 32.50 O ATOM 1348 OE2 GLU A 88 13.440 5.521 -7.470 1.00 44.05 O ATOM 0 H GLU A 88 12.497 8.376 -8.448 1.00 64.24 H new ATOM 0 HA GLU A 88 9.942 8.072 -9.898 1.00 34.34 H new ATOM 0 HB2 GLU A 88 10.903 6.281 -11.019 1.00 3.11 H new ATOM 0 HB3 GLU A 88 12.279 7.351 -10.835 1.00 3.11 H new ATOM 0 HG2 GLU A 88 11.632 4.946 -9.095 1.00 52.24 H new ATOM 0 HG3 GLU A 88 12.889 5.036 -10.312 1.00 52.24 H new ATOM 1355 N THR A 89 8.933 6.312 -8.413 1.00 33.22 N ATOM 1356 CA THR A 89 8.253 5.493 -7.417 1.00 65.34 C ATOM 1357 C THR A 89 8.224 4.028 -7.837 1.00 12.12 C ATOM 1358 O THR A 89 7.886 3.704 -8.976 1.00 21.34 O ATOM 1359 CB THR A 89 6.809 5.977 -7.183 1.00 71.14 C ATOM 1360 OG1 THR A 89 6.705 7.373 -7.487 1.00 61.35 O ATOM 1361 CG2 THR A 89 6.383 5.733 -5.744 1.00 24.14 C ATOM 0 H THR A 89 8.384 6.497 -9.253 1.00 33.22 H new ATOM 0 HA THR A 89 8.816 5.591 -6.489 1.00 65.34 H new ATOM 0 HB THR A 89 6.149 5.412 -7.841 1.00 71.14 H new ATOM 0 HG1 THR A 89 6.128 7.810 -6.826 1.00 61.35 H new ATOM 0 HG21 THR A 89 5.360 6.083 -5.603 1.00 24.14 H new ATOM 0 HG22 THR A 89 6.435 4.667 -5.525 1.00 24.14 H new ATOM 0 HG23 THR A 89 7.048 6.275 -5.071 1.00 24.14 H new ATOM 1369 N LYS A 90 8.580 3.145 -6.910 1.00 3.32 N ATOM 1370 CA LYS A 90 8.593 1.713 -7.182 1.00 0.13 C ATOM 1371 C LYS A 90 7.422 1.017 -6.495 1.00 53.13 C ATOM 1372 O LYS A 90 7.010 1.408 -5.404 1.00 11.31 O ATOM 1373 CB LYS A 90 9.912 1.096 -6.713 1.00 25.35 C ATOM 1374 CG LYS A 90 11.132 1.650 -7.428 1.00 42.34 C ATOM 1375 CD LYS A 90 12.067 2.362 -6.466 1.00 25.11 C ATOM 1376 CE LYS A 90 11.378 3.531 -5.780 1.00 51.25 C ATOM 1377 NZ LYS A 90 12.354 4.446 -5.126 1.00 24.42 N ATOM 0 H LYS A 90 8.864 3.397 -5.963 1.00 3.32 H new ATOM 0 HA LYS A 90 8.495 1.573 -8.259 1.00 0.13 H new ATOM 0 HB2 LYS A 90 10.022 1.265 -5.642 1.00 25.35 H new ATOM 0 HB3 LYS A 90 9.872 0.017 -6.863 1.00 25.35 H new ATOM 0 HG2 LYS A 90 11.666 0.838 -7.921 1.00 42.34 H new ATOM 0 HG3 LYS A 90 10.815 2.342 -8.208 1.00 42.34 H new ATOM 0 HD2 LYS A 90 12.423 1.657 -5.715 1.00 25.11 H new ATOM 0 HD3 LYS A 90 12.942 2.721 -7.007 1.00 25.11 H new ATOM 0 HE2 LYS A 90 10.793 4.088 -6.512 1.00 51.25 H new ATOM 0 HE3 LYS A 90 10.679 3.153 -5.034 1.00 51.25 H new ATOM 0 HZ1 LYS A 90 11.845 5.119 -4.518 1.00 24.42 H new ATOM 0 HZ2 LYS A 90 13.017 3.891 -4.549 1.00 24.42 H new ATOM 0 HZ3 LYS A 90 12.882 4.968 -5.854 1.00 24.42 H new ATOM 1391 N SER A 91 6.891 -0.015 -7.142 1.00 21.22 N ATOM 1392 CA SER A 91 5.766 -0.763 -6.594 1.00 31.34 C ATOM 1393 C SER A 91 5.889 -2.248 -6.922 1.00 4.02 C ATOM 1394 O SER A 91 6.024 -2.629 -8.084 1.00 5.20 O ATOM 1395 CB SER A 91 4.447 -0.217 -7.142 1.00 42.51 C ATOM 1396 OG SER A 91 4.448 1.201 -7.153 1.00 42.21 O ATOM 0 H SER A 91 7.222 -0.352 -8.046 1.00 21.22 H new ATOM 0 HA SER A 91 5.778 -0.645 -5.510 1.00 31.34 H new ATOM 0 HB2 SER A 91 4.286 -0.592 -8.153 1.00 42.51 H new ATOM 0 HB3 SER A 91 3.619 -0.579 -6.533 1.00 42.51 H new ATOM 0 HG SER A 91 4.409 1.521 -8.078 1.00 42.21 H new ATOM 1402 N ASN A 92 5.841 -3.083 -5.888 1.00 45.30 N ATOM 1403 CA ASN A 92 5.949 -4.526 -6.066 1.00 15.11 C ATOM 1404 C ASN A 92 4.700 -5.232 -5.544 1.00 2.03 C ATOM 1405 O ASN A 92 4.338 -5.092 -4.376 1.00 31.41 O ATOM 1406 CB ASN A 92 7.188 -5.059 -5.345 1.00 65.13 C ATOM 1407 CG ASN A 92 7.015 -6.492 -4.878 1.00 65.54 C ATOM 1408 OD1 ASN A 92 7.201 -6.800 -3.702 1.00 54.23 O ATOM 1409 ND2 ASN A 92 6.658 -7.375 -5.804 1.00 35.12 N ATOM 0 H ASN A 92 5.728 -2.785 -4.919 1.00 45.30 H new ATOM 0 HA ASN A 92 6.043 -4.730 -7.133 1.00 15.11 H new ATOM 0 HB2 ASN A 92 8.047 -4.999 -6.013 1.00 65.13 H new ATOM 0 HB3 ASN A 92 7.406 -4.424 -4.486 1.00 65.13 H new ATOM 0 HD21 ASN A 92 6.527 -8.354 -5.551 1.00 35.12 H new ATOM 0 HD22 ASN A 92 6.515 -7.074 -6.768 1.00 35.12 H new ATOM 1416 N TYR A 93 4.048 -5.991 -6.418 1.00 12.51 N ATOM 1417 CA TYR A 93 2.840 -6.718 -6.047 1.00 0.33 C ATOM 1418 C TYR A 93 2.961 -8.195 -6.406 1.00 23.40 C ATOM 1419 O TYR A 93 3.232 -8.546 -7.554 1.00 61.34 O ATOM 1420 CB TYR A 93 1.621 -6.110 -6.743 1.00 72.30 C ATOM 1421 CG TYR A 93 1.047 -4.911 -6.022 1.00 22.11 C ATOM 1422 CD1 TYR A 93 1.807 -3.765 -5.824 1.00 24.13 C ATOM 1423 CD2 TYR A 93 -0.256 -4.923 -5.541 1.00 72.24 C ATOM 1424 CE1 TYR A 93 1.288 -2.668 -5.166 1.00 51.00 C ATOM 1425 CE2 TYR A 93 -0.785 -3.830 -4.883 1.00 12.41 C ATOM 1426 CZ TYR A 93 -0.009 -2.705 -4.697 1.00 40.25 C ATOM 1427 OH TYR A 93 -0.531 -1.612 -4.042 1.00 62.52 O ATOM 0 H TYR A 93 4.336 -6.119 -7.388 1.00 12.51 H new ATOM 0 HA TYR A 93 2.713 -6.635 -4.968 1.00 0.33 H new ATOM 0 HB2 TYR A 93 1.900 -5.816 -7.755 1.00 72.30 H new ATOM 0 HB3 TYR A 93 0.848 -6.873 -6.835 1.00 72.30 H new ATOM 0 HD1 TYR A 93 2.822 -3.732 -6.191 1.00 24.13 H new ATOM 0 HD2 TYR A 93 -0.866 -5.803 -5.684 1.00 72.24 H new ATOM 0 HE1 TYR A 93 1.894 -1.786 -5.019 1.00 51.00 H new ATOM 0 HE2 TYR A 93 -1.800 -3.856 -4.516 1.00 12.41 H new ATOM 0 HH TYR A 93 -1.456 -1.800 -3.777 1.00 62.52 H new ATOM 1437 N ARG A 94 2.758 -9.057 -5.414 1.00 71.45 N ATOM 1438 CA ARG A 94 2.844 -10.497 -5.623 1.00 62.54 C ATOM 1439 C ARG A 94 1.532 -11.045 -6.177 1.00 33.44 C ATOM 1440 O ARG A 94 0.453 -10.715 -5.686 1.00 12.24 O ATOM 1441 CB ARG A 94 3.194 -11.205 -4.313 1.00 42.14 C ATOM 1442 CG ARG A 94 4.236 -10.471 -3.485 1.00 72.32 C ATOM 1443 CD ARG A 94 5.530 -10.277 -4.261 1.00 52.11 C ATOM 1444 NE ARG A 94 6.526 -9.541 -3.488 1.00 23.03 N ATOM 1445 CZ ARG A 94 7.305 -10.103 -2.570 1.00 64.14 C ATOM 1446 NH1 ARG A 94 7.203 -11.399 -2.313 1.00 33.34 N ATOM 1447 NH2 ARG A 94 8.189 -9.367 -1.908 1.00 24.30 N ATOM 0 H ARG A 94 2.533 -8.782 -4.458 1.00 71.45 H new ATOM 0 HA ARG A 94 3.633 -10.687 -6.351 1.00 62.54 H new ATOM 0 HB2 ARG A 94 2.287 -11.323 -3.720 1.00 42.14 H new ATOM 0 HB3 ARG A 94 3.560 -12.207 -4.538 1.00 42.14 H new ATOM 0 HG2 ARG A 94 3.843 -9.500 -3.182 1.00 72.32 H new ATOM 0 HG3 ARG A 94 4.438 -11.032 -2.573 1.00 72.32 H new ATOM 0 HD2 ARG A 94 5.934 -11.250 -4.541 1.00 52.11 H new ATOM 0 HD3 ARG A 94 5.321 -9.741 -5.187 1.00 52.11 H new ATOM 0 HE ARG A 94 6.629 -8.541 -3.662 1.00 23.03 H new ATOM 0 HH11 ARG A 94 6.525 -11.968 -2.820 1.00 33.34 H new ATOM 0 HH12 ARG A 94 7.802 -11.828 -1.608 1.00 33.34 H new ATOM 0 HH21 ARG A 94 8.271 -8.369 -2.104 1.00 24.30 H new ATOM 0 HH22 ARG A 94 8.787 -9.799 -1.203 1.00 24.30 H new ATOM 1461 N VAL A 95 1.633 -11.886 -7.202 1.00 2.32 N ATOM 1462 CA VAL A 95 0.455 -12.481 -7.821 1.00 1.30 C ATOM 1463 C VAL A 95 0.509 -14.004 -7.753 1.00 54.23 C ATOM 1464 O VAL A 95 1.547 -14.610 -8.011 1.00 1.44 O ATOM 1465 CB VAL A 95 0.315 -12.048 -9.293 1.00 22.32 C ATOM 1466 CG1 VAL A 95 -0.838 -12.784 -9.959 1.00 11.11 C ATOM 1467 CG2 VAL A 95 0.126 -10.542 -9.390 1.00 74.31 C ATOM 0 H VAL A 95 2.519 -12.170 -7.621 1.00 2.32 H new ATOM 0 HA VAL A 95 -0.411 -12.125 -7.262 1.00 1.30 H new ATOM 0 HB VAL A 95 1.233 -12.309 -9.819 1.00 22.32 H new ATOM 0 HG11 VAL A 95 -0.921 -12.465 -10.998 1.00 11.11 H new ATOM 0 HG12 VAL A 95 -0.654 -13.858 -9.923 1.00 11.11 H new ATOM 0 HG13 VAL A 95 -1.766 -12.557 -9.434 1.00 11.11 H new ATOM 0 HG21 VAL A 95 0.029 -10.254 -10.437 1.00 74.31 H new ATOM 0 HG22 VAL A 95 -0.775 -10.253 -8.849 1.00 74.31 H new ATOM 0 HG23 VAL A 95 0.989 -10.038 -8.954 1.00 74.31 H new ATOM 1477 N ARG A 96 -0.620 -14.614 -7.404 1.00 24.51 N ATOM 1478 CA ARG A 96 -0.701 -16.066 -7.301 1.00 15.01 C ATOM 1479 C ARG A 96 -1.923 -16.596 -8.047 1.00 23.13 C ATOM 1480 O ARG A 96 -3.043 -16.133 -7.832 1.00 42.13 O ATOM 1481 CB ARG A 96 -0.763 -16.491 -5.833 1.00 24.22 C ATOM 1482 CG ARG A 96 0.528 -17.111 -5.325 1.00 3.52 C ATOM 1483 CD ARG A 96 0.902 -18.353 -6.118 1.00 20.42 C ATOM 1484 NE ARG A 96 1.901 -19.164 -5.428 1.00 70.54 N ATOM 1485 CZ ARG A 96 2.692 -20.037 -6.044 1.00 4.52 C ATOM 1486 NH1 ARG A 96 2.601 -20.208 -7.355 1.00 3.12 N ATOM 1487 NH2 ARG A 96 3.577 -20.738 -5.346 1.00 20.21 N ATOM 0 H ARG A 96 -1.489 -14.126 -7.188 1.00 24.51 H new ATOM 0 HA ARG A 96 0.194 -16.489 -7.757 1.00 15.01 H new ATOM 0 HB2 ARG A 96 -1.004 -15.622 -5.221 1.00 24.22 H new ATOM 0 HB3 ARG A 96 -1.575 -17.206 -5.704 1.00 24.22 H new ATOM 0 HG2 ARG A 96 1.334 -16.380 -5.391 1.00 3.52 H new ATOM 0 HG3 ARG A 96 0.418 -17.370 -4.272 1.00 3.52 H new ATOM 0 HD2 ARG A 96 0.009 -18.952 -6.295 1.00 20.42 H new ATOM 0 HD3 ARG A 96 1.287 -18.057 -7.094 1.00 20.42 H new ATOM 0 HE ARG A 96 1.997 -19.055 -4.418 1.00 70.54 H new ATOM 0 HH11 ARG A 96 1.923 -19.669 -7.894 1.00 3.12 H new ATOM 0 HH12 ARG A 96 3.209 -20.878 -7.825 1.00 3.12 H new ATOM 0 HH21 ARG A 96 3.650 -20.607 -4.337 1.00 20.21 H new ATOM 0 HH22 ARG A 96 4.184 -21.408 -5.819 1.00 20.21 H new ATOM 1501 N VAL A 97 -1.698 -17.568 -8.924 1.00 34.35 N ATOM 1502 CA VAL A 97 -2.779 -18.162 -9.701 1.00 74.30 C ATOM 1503 C VAL A 97 -3.339 -19.400 -9.009 1.00 40.21 C ATOM 1504 O VAL A 97 -2.910 -19.757 -7.912 1.00 14.12 O ATOM 1505 CB VAL A 97 -2.308 -18.549 -11.115 1.00 42.14 C ATOM 1506 CG1 VAL A 97 -1.762 -17.332 -11.848 1.00 41.40 C ATOM 1507 CG2 VAL A 97 -1.263 -19.652 -11.046 1.00 11.23 C ATOM 0 H VAL A 97 -0.776 -17.961 -9.115 1.00 34.35 H new ATOM 0 HA VAL A 97 -3.562 -17.407 -9.780 1.00 74.30 H new ATOM 0 HB VAL A 97 -3.165 -18.926 -11.673 1.00 42.14 H new ATOM 0 HG11 VAL A 97 -1.434 -17.625 -12.845 1.00 41.40 H new ATOM 0 HG12 VAL A 97 -2.543 -16.576 -11.930 1.00 41.40 H new ATOM 0 HG13 VAL A 97 -0.917 -16.922 -11.294 1.00 41.40 H new ATOM 0 HG21 VAL A 97 -0.942 -19.913 -12.055 1.00 11.23 H new ATOM 0 HG22 VAL A 97 -0.405 -19.305 -10.470 1.00 11.23 H new ATOM 0 HG23 VAL A 97 -1.692 -20.530 -10.564 1.00 11.23 H new ATOM 1517 N TYR A 98 -4.300 -20.050 -9.656 1.00 43.44 N ATOM 1518 CA TYR A 98 -4.920 -21.247 -9.102 1.00 63.14 C ATOM 1519 C TYR A 98 -3.920 -22.397 -9.031 1.00 65.54 C ATOM 1520 O TYR A 98 -3.344 -22.668 -7.979 1.00 3.43 O ATOM 1521 CB TYR A 98 -6.128 -21.658 -9.946 1.00 62.12 C ATOM 1522 CG TYR A 98 -6.731 -22.982 -9.535 1.00 24.42 C ATOM 1523 CD1 TYR A 98 -6.922 -23.295 -8.195 1.00 51.05 C ATOM 1524 CD2 TYR A 98 -7.108 -23.923 -10.487 1.00 45.44 C ATOM 1525 CE1 TYR A 98 -7.472 -24.504 -7.815 1.00 11.43 C ATOM 1526 CE2 TYR A 98 -7.659 -25.133 -10.117 1.00 12.24 C ATOM 1527 CZ TYR A 98 -7.839 -25.420 -8.779 1.00 54.30 C ATOM 1528 OH TYR A 98 -8.387 -26.626 -8.405 1.00 51.45 O ATOM 0 H TYR A 98 -4.666 -19.768 -10.565 1.00 43.44 H new ATOM 0 HA TYR A 98 -5.253 -21.017 -8.090 1.00 63.14 H new ATOM 0 HB2 TYR A 98 -6.891 -20.883 -9.875 1.00 62.12 H new ATOM 0 HB3 TYR A 98 -5.828 -21.714 -10.992 1.00 62.12 H new ATOM 0 HD1 TYR A 98 -6.636 -22.581 -7.437 1.00 51.05 H new ATOM 0 HD2 TYR A 98 -6.967 -23.703 -11.535 1.00 45.44 H new ATOM 0 HE1 TYR A 98 -7.614 -24.731 -6.769 1.00 11.43 H new ATOM 0 HE2 TYR A 98 -7.948 -25.851 -10.870 1.00 12.24 H new ATOM 0 HH TYR A 98 -8.590 -27.155 -9.205 1.00 51.45 H new ATOM 1538 N GLN A 99 -3.719 -23.068 -10.161 1.00 41.15 N ATOM 1539 CA GLN A 99 -2.788 -24.188 -10.228 1.00 64.24 C ATOM 1540 C GLN A 99 -1.368 -23.737 -9.900 1.00 15.21 C ATOM 1541 O GLN A 99 -0.949 -22.646 -10.286 1.00 21.32 O ATOM 1542 CB GLN A 99 -2.825 -24.825 -11.619 1.00 25.52 C ATOM 1543 CG GLN A 99 -3.001 -26.335 -11.592 1.00 12.13 C ATOM 1544 CD GLN A 99 -1.856 -27.045 -10.896 1.00 50.52 C ATOM 1545 OE1 GLN A 99 -0.894 -27.471 -11.537 1.00 71.00 O ATOM 1546 NE2 GLN A 99 -1.952 -27.174 -9.579 1.00 33.44 N ATOM 0 H GLN A 99 -4.188 -22.856 -11.042 1.00 41.15 H new ATOM 0 HA GLN A 99 -3.094 -24.928 -9.488 1.00 64.24 H new ATOM 0 HB2 GLN A 99 -3.641 -24.383 -12.191 1.00 25.52 H new ATOM 0 HB3 GLN A 99 -1.901 -24.585 -12.144 1.00 25.52 H new ATOM 0 HG2 GLN A 99 -3.935 -26.579 -11.086 1.00 12.13 H new ATOM 0 HG3 GLN A 99 -3.085 -26.705 -12.614 1.00 12.13 H new ATOM 0 HE21 GLN A 99 -2.767 -26.806 -9.089 1.00 33.44 H new ATOM 0 HE22 GLN A 99 -1.211 -27.641 -9.057 1.00 33.44 H new ATOM 1555 N ILE A 100 -0.635 -24.583 -9.184 1.00 15.14 N ATOM 1556 CA ILE A 100 0.737 -24.271 -8.804 1.00 74.12 C ATOM 1557 C ILE A 100 1.706 -25.323 -9.332 1.00 72.13 C ATOM 1558 O ILE A 100 1.324 -26.449 -9.654 1.00 22.10 O ATOM 1559 CB ILE A 100 0.888 -24.172 -7.275 1.00 33.24 C ATOM 1560 CG1 ILE A 100 -0.226 -24.955 -6.577 1.00 21.24 C ATOM 1561 CG2 ILE A 100 0.875 -22.716 -6.835 1.00 10.33 C ATOM 1562 CD1 ILE A 100 -0.089 -24.989 -5.071 1.00 34.53 C ATOM 0 H ILE A 100 -0.968 -25.489 -8.856 1.00 15.14 H new ATOM 0 HA ILE A 100 0.976 -23.305 -9.248 1.00 74.12 H new ATOM 0 HB ILE A 100 1.845 -24.609 -6.991 1.00 33.24 H new ATOM 0 HG12 ILE A 100 -1.188 -24.512 -6.836 1.00 21.24 H new ATOM 0 HG13 ILE A 100 -0.233 -25.977 -6.956 1.00 21.24 H new ATOM 0 HG21 ILE A 100 0.983 -22.662 -5.752 1.00 10.33 H new ATOM 0 HG22 ILE A 100 1.701 -22.185 -7.308 1.00 10.33 H new ATOM 0 HG23 ILE A 100 -0.068 -22.255 -7.129 1.00 10.33 H new ATOM 0 HD11 ILE A 100 -0.913 -25.561 -4.644 1.00 34.53 H new ATOM 0 HD12 ILE A 100 0.857 -25.459 -4.802 1.00 34.53 H new ATOM 0 HD13 ILE A 100 -0.112 -23.972 -4.680 1.00 34.53 H new ATOM 1574 N PRO A 101 2.991 -24.951 -9.422 1.00 22.33 N ATOM 1575 CA PRO A 101 4.043 -25.849 -9.909 1.00 33.13 C ATOM 1576 C PRO A 101 4.337 -26.981 -8.930 1.00 24.43 C ATOM 1577 O PRO A 101 4.655 -28.098 -9.336 1.00 23.12 O ATOM 1578 CB PRO A 101 5.259 -24.929 -10.045 1.00 31.52 C ATOM 1579 CG PRO A 101 5.008 -23.823 -9.079 1.00 51.02 C ATOM 1580 CD PRO A 101 3.517 -23.625 -9.056 1.00 31.32 C ATOM 0 HA PRO A 101 3.760 -26.344 -10.838 1.00 33.13 H new ATOM 0 HB2 PRO A 101 6.183 -25.457 -9.810 1.00 31.52 H new ATOM 0 HB3 PRO A 101 5.357 -24.551 -11.063 1.00 31.52 H new ATOM 0 HG2 PRO A 101 5.383 -24.078 -8.088 1.00 51.02 H new ATOM 0 HG3 PRO A 101 5.518 -22.911 -9.389 1.00 51.02 H new ATOM 0 HD2 PRO A 101 3.168 -23.312 -8.072 1.00 31.32 H new ATOM 0 HD3 PRO A 101 3.202 -22.858 -9.764 1.00 31.32 H new