USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 68:sc= 0.024 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -0.193 K(o=-0.17,f=-1.4) USER MOD Set 2.1: A 16 THR OG1 : rot 90:sc= -0.657 USER MOD Set 2.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 SER OG : rot -130:sc= 0.766 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -169:sc= 0.561 (180deg=-0.471) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 1.03 K(o=1,f=-0.75) USER MOD Single : A 12 ASN : amide:sc= 0.659 K(o=0.66,f=-0.97) USER MOD Single : A 14 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 17 MET CE :methyl 176:sc= -1.25 (180deg=-1.34) USER MOD Single : A 19 SER OG : rot -49:sc= 0.00048 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 34 ASN : amide:sc= 1.27 K(o=1.3,f=-6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 44 GLN : amide:sc= -0.0856 X(o=-0.086,f=-0.11) USER MOD Single : A 46 ASN : amide:sc= 0.798 K(o=0.8,f=-6.2!) USER MOD Single : A 53 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.984 K(o=0.98,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 74 THR OG1 : rot 48:sc= -0.065 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.384 9.511 -1.098 1.00 74.04 N ATOM 43 CA ASP A 4 9.382 8.060 -1.001 1.00 13.12 C ATOM 44 C ASP A 4 8.032 7.549 -0.509 1.00 44.51 C ATOM 45 O ASP A 4 7.768 7.242 0.652 1.00 73.01 O ATOM 46 CB ASP A 4 10.552 7.480 -0.219 1.00 34.45 C ATOM 47 CG ASP A 4 11.753 8.404 -0.039 1.00 50.30 C ATOM 48 OD1 ASP A 4 12.582 8.476 -0.971 1.00 73.14 O ATOM 49 OD2 ASP A 4 11.825 9.141 0.962 1.00 11.44 O ATOM 0 HA ASP A 4 9.534 7.689 -2.015 1.00 13.12 H new ATOM 0 HB2 ASP A 4 10.194 7.184 0.767 1.00 34.45 H new ATOM 0 HB3 ASP A 4 10.887 6.573 -0.722 1.00 34.45 H new ATOM 54 N THR A 5 7.182 7.433 -1.498 1.00 1.44 N ATOM 55 CA THR A 5 5.839 6.910 -1.411 1.00 54.11 C ATOM 56 C THR A 5 5.762 5.665 -2.285 1.00 10.55 C ATOM 57 O THR A 5 5.793 5.758 -3.513 1.00 62.11 O ATOM 58 CB THR A 5 4.791 7.956 -1.807 1.00 32.42 C ATOM 59 OG1 THR A 5 4.903 9.132 -1.029 1.00 64.02 O ATOM 60 CG2 THR A 5 3.376 7.404 -1.636 1.00 50.40 C ATOM 0 H THR A 5 7.424 7.719 -2.447 1.00 1.44 H new ATOM 0 HA THR A 5 5.612 6.647 -0.378 1.00 54.11 H new ATOM 0 HB THR A 5 4.976 8.197 -2.854 1.00 32.42 H new ATOM 0 HG1 THR A 5 4.221 9.777 -1.310 1.00 64.02 H new ATOM 0 HG21 THR A 5 2.651 8.166 -1.924 1.00 50.40 H new ATOM 0 HG22 THR A 5 3.249 6.525 -2.268 1.00 50.40 H new ATOM 0 HG23 THR A 5 3.217 7.127 -0.594 1.00 50.40 H new ATOM 68 N ILE A 6 5.662 4.501 -1.664 1.00 24.43 N ATOM 69 CA ILE A 6 5.233 3.284 -2.324 1.00 4.42 C ATOM 70 C ILE A 6 3.716 3.417 -2.515 1.00 70.33 C ATOM 71 O ILE A 6 3.003 3.717 -1.557 1.00 52.50 O ATOM 72 CB ILE A 6 5.652 2.041 -1.500 1.00 3.32 C ATOM 73 CG1 ILE A 6 7.133 2.180 -1.066 1.00 21.42 C ATOM 74 CG2 ILE A 6 5.415 0.776 -2.338 1.00 74.33 C ATOM 75 CD1 ILE A 6 7.837 0.910 -0.585 1.00 45.53 C ATOM 0 H ILE A 6 5.880 4.376 -0.675 1.00 24.43 H new ATOM 0 HA ILE A 6 5.708 3.145 -3.295 1.00 4.42 H new ATOM 0 HB ILE A 6 5.049 1.963 -0.595 1.00 3.32 H new ATOM 0 HG12 ILE A 6 7.697 2.582 -1.908 1.00 21.42 H new ATOM 0 HG13 ILE A 6 7.184 2.919 -0.267 1.00 21.42 H new ATOM 0 HG21 ILE A 6 5.708 -0.102 -1.762 1.00 74.33 H new ATOM 0 HG22 ILE A 6 4.359 0.704 -2.597 1.00 74.33 H new ATOM 0 HG23 ILE A 6 6.010 0.827 -3.250 1.00 74.33 H new ATOM 0 HD11 ILE A 6 8.866 1.145 -0.312 1.00 45.53 H new ATOM 0 HD12 ILE A 6 7.313 0.511 0.284 1.00 45.53 H new ATOM 0 HD13 ILE A 6 7.834 0.168 -1.383 1.00 45.53 H new ATOM 87 N ILE A 7 3.211 3.248 -3.737 1.00 30.03 N ATOM 88 CA ILE A 7 1.771 3.190 -4.000 1.00 63.10 C ATOM 89 C ILE A 7 1.389 1.706 -4.111 1.00 53.13 C ATOM 90 O ILE A 7 2.098 0.939 -4.759 1.00 74.04 O ATOM 91 CB ILE A 7 1.377 4.027 -5.247 1.00 44.42 C ATOM 92 CG1 ILE A 7 1.974 5.452 -5.186 1.00 21.33 C ATOM 93 CG2 ILE A 7 -0.154 4.129 -5.383 1.00 44.32 C ATOM 94 CD1 ILE A 7 1.508 6.398 -6.303 1.00 50.52 C ATOM 0 H ILE A 7 3.787 3.147 -4.573 1.00 30.03 H new ATOM 0 HA ILE A 7 1.208 3.644 -3.185 1.00 63.10 H new ATOM 0 HB ILE A 7 1.785 3.510 -6.116 1.00 44.42 H new ATOM 0 HG12 ILE A 7 1.719 5.896 -4.224 1.00 21.33 H new ATOM 0 HG13 ILE A 7 3.061 5.377 -5.224 1.00 21.33 H new ATOM 0 HG21 ILE A 7 -0.402 4.720 -6.264 1.00 44.32 H new ATOM 0 HG22 ILE A 7 -0.578 3.130 -5.485 1.00 44.32 H new ATOM 0 HG23 ILE A 7 -0.567 4.609 -4.496 1.00 44.32 H new ATOM 0 HD11 ILE A 7 1.980 7.372 -6.175 1.00 50.52 H new ATOM 0 HD12 ILE A 7 1.788 5.983 -7.271 1.00 50.52 H new ATOM 0 HD13 ILE A 7 0.425 6.511 -6.256 1.00 50.52 H new ATOM 106 N LEU A 8 0.281 1.294 -3.490 1.00 34.42 N ATOM 107 CA LEU A 8 -0.337 -0.016 -3.713 1.00 70.22 C ATOM 108 C LEU A 8 -1.317 0.062 -4.878 1.00 52.11 C ATOM 109 O LEU A 8 -1.856 1.131 -5.155 1.00 25.35 O ATOM 110 CB LEU A 8 -1.132 -0.502 -2.491 1.00 32.31 C ATOM 111 CG LEU A 8 -0.323 -0.738 -1.211 1.00 21.31 C ATOM 112 CD1 LEU A 8 -1.250 -1.378 -0.169 1.00 72.44 C ATOM 113 CD2 LEU A 8 0.907 -1.629 -1.425 1.00 53.23 C ATOM 0 H LEU A 8 -0.218 1.867 -2.810 1.00 34.42 H new ATOM 0 HA LEU A 8 0.479 -0.710 -3.915 1.00 70.22 H new ATOM 0 HB2 LEU A 8 -1.910 0.230 -2.275 1.00 32.31 H new ATOM 0 HB3 LEU A 8 -1.634 -1.432 -2.756 1.00 32.31 H new ATOM 0 HG LEU A 8 0.054 0.227 -0.873 1.00 21.31 H new ATOM 0 HD11 LEU A 8 -0.695 -1.555 0.752 1.00 72.44 H new ATOM 0 HD12 LEU A 8 -2.086 -0.709 0.034 1.00 72.44 H new ATOM 0 HD13 LEU A 8 -1.629 -2.325 -0.552 1.00 72.44 H new ATOM 0 HD21 LEU A 8 1.434 -1.755 -0.479 1.00 53.23 H new ATOM 0 HD22 LEU A 8 0.590 -2.603 -1.797 1.00 53.23 H new ATOM 0 HD23 LEU A 8 1.572 -1.162 -2.152 1.00 53.23 H new ATOM 125 N ARG A 9 -1.667 -1.071 -5.489 1.00 3.34 N ATOM 126 CA ARG A 9 -2.745 -1.162 -6.481 1.00 22.22 C ATOM 127 C ARG A 9 -3.573 -2.409 -6.217 1.00 21.11 C ATOM 128 O ARG A 9 -3.140 -3.265 -5.444 1.00 12.42 O ATOM 129 CB ARG A 9 -2.211 -1.194 -7.930 1.00 10.33 C ATOM 130 CG ARG A 9 -0.849 -0.528 -8.168 1.00 62.12 C ATOM 131 CD ARG A 9 -0.447 -0.528 -9.654 1.00 62.03 C ATOM 132 NE ARG A 9 0.984 -0.842 -9.836 1.00 32.22 N ATOM 133 CZ ARG A 9 1.502 -1.773 -10.650 1.00 5.15 C ATOM 134 NH1 ARG A 9 0.761 -2.373 -11.570 1.00 21.13 N ATOM 135 NH2 ARG A 9 2.769 -2.129 -10.522 1.00 2.51 N ATOM 0 H ARG A 9 -1.206 -1.963 -5.308 1.00 3.34 H new ATOM 0 HA ARG A 9 -3.360 -0.268 -6.379 1.00 22.22 H new ATOM 0 HB2 ARG A 9 -2.143 -2.235 -8.246 1.00 10.33 H new ATOM 0 HB3 ARG A 9 -2.945 -0.712 -8.576 1.00 10.33 H new ATOM 0 HG2 ARG A 9 -0.881 0.499 -7.803 1.00 62.12 H new ATOM 0 HG3 ARG A 9 -0.087 -1.049 -7.588 1.00 62.12 H new ATOM 0 HD2 ARG A 9 -1.051 -1.258 -10.194 1.00 62.03 H new ATOM 0 HD3 ARG A 9 -0.663 0.448 -10.089 1.00 62.03 H new ATOM 0 HE ARG A 9 1.646 -0.295 -9.286 1.00 32.22 H new ATOM 0 HH11 ARG A 9 -0.224 -2.129 -11.670 1.00 21.13 H new ATOM 0 HH12 ARG A 9 1.176 -3.079 -12.179 1.00 21.13 H new ATOM 0 HH21 ARG A 9 3.351 -1.696 -9.805 1.00 2.51 H new ATOM 0 HH22 ARG A 9 3.165 -2.837 -11.140 1.00 2.51 H new ATOM 149 N ASN A 10 -4.682 -2.548 -6.946 1.00 22.25 N ATOM 150 CA ASN A 10 -5.584 -3.696 -6.917 1.00 21.12 C ATOM 151 C ASN A 10 -6.143 -3.935 -5.513 1.00 31.23 C ATOM 152 O ASN A 10 -6.150 -5.049 -4.990 1.00 24.01 O ATOM 153 CB ASN A 10 -4.917 -4.937 -7.532 1.00 10.42 C ATOM 154 CG ASN A 10 -5.912 -6.087 -7.678 1.00 13.52 C ATOM 155 OD1 ASN A 10 -7.068 -5.889 -8.037 1.00 43.23 O ATOM 156 ND2 ASN A 10 -5.493 -7.305 -7.401 1.00 64.14 N ATOM 0 H ASN A 10 -4.988 -1.829 -7.602 1.00 22.25 H new ATOM 0 HA ASN A 10 -6.448 -3.473 -7.543 1.00 21.12 H new ATOM 0 HB2 ASN A 10 -4.504 -4.684 -8.509 1.00 10.42 H new ATOM 0 HB3 ASN A 10 -4.083 -5.252 -6.905 1.00 10.42 H new ATOM 0 HD21 ASN A 10 -6.132 -8.095 -7.484 1.00 64.14 H new ATOM 0 HD22 ASN A 10 -4.529 -7.457 -7.103 1.00 64.14 H new ATOM 163 N LEU A 11 -6.593 -2.866 -4.858 1.00 11.31 N ATOM 164 CA LEU A 11 -7.319 -2.979 -3.604 1.00 73.22 C ATOM 165 C LEU A 11 -8.788 -3.204 -3.961 1.00 24.03 C ATOM 166 O LEU A 11 -9.401 -2.370 -4.631 1.00 45.51 O ATOM 167 CB LEU A 11 -7.106 -1.729 -2.735 1.00 32.42 C ATOM 168 CG LEU A 11 -5.638 -1.539 -2.302 1.00 61.12 C ATOM 169 CD1 LEU A 11 -5.391 -0.116 -1.810 1.00 5.34 C ATOM 170 CD2 LEU A 11 -5.247 -2.494 -1.174 1.00 41.50 C ATOM 0 H LEU A 11 -6.464 -1.907 -5.182 1.00 11.31 H new ATOM 0 HA LEU A 11 -6.956 -3.815 -3.007 1.00 73.22 H new ATOM 0 HB2 LEU A 11 -7.433 -0.849 -3.288 1.00 32.42 H new ATOM 0 HB3 LEU A 11 -7.735 -1.799 -1.847 1.00 32.42 H new ATOM 0 HG LEU A 11 -5.033 -1.748 -3.184 1.00 61.12 H new ATOM 0 HD11 LEU A 11 -4.348 -0.010 -1.511 1.00 5.34 H new ATOM 0 HD12 LEU A 11 -5.612 0.589 -2.611 1.00 5.34 H new ATOM 0 HD13 LEU A 11 -6.036 0.091 -0.956 1.00 5.34 H new ATOM 0 HD21 LEU A 11 -4.205 -2.326 -0.900 1.00 41.50 H new ATOM 0 HD22 LEU A 11 -5.884 -2.314 -0.308 1.00 41.50 H new ATOM 0 HD23 LEU A 11 -5.373 -3.524 -1.509 1.00 41.50 H new ATOM 182 N ASN A 12 -9.346 -4.338 -3.535 1.00 13.43 N ATOM 183 CA ASN A 12 -10.797 -4.536 -3.498 1.00 34.31 C ATOM 184 C ASN A 12 -11.411 -3.517 -2.529 1.00 74.12 C ATOM 185 O ASN A 12 -10.720 -3.053 -1.615 1.00 42.34 O ATOM 186 CB ASN A 12 -11.163 -5.953 -3.031 1.00 62.00 C ATOM 187 CG ASN A 12 -11.363 -6.965 -4.146 1.00 25.13 C ATOM 188 OD1 ASN A 12 -10.863 -6.804 -5.253 1.00 65.30 O ATOM 189 ND2 ASN A 12 -12.032 -8.055 -3.836 1.00 42.11 N ATOM 0 H ASN A 12 -8.809 -5.141 -3.208 1.00 13.43 H new ATOM 0 HA ASN A 12 -11.187 -4.400 -4.507 1.00 34.31 H new ATOM 0 HB2 ASN A 12 -10.377 -6.315 -2.369 1.00 62.00 H new ATOM 0 HB3 ASN A 12 -12.078 -5.900 -2.441 1.00 62.00 H new ATOM 0 HD21 ASN A 12 -12.146 -8.797 -4.527 1.00 42.11 H new ATOM 0 HD22 ASN A 12 -12.436 -8.158 -2.905 1.00 42.11 H new ATOM 196 N PRO A 13 -12.712 -3.218 -2.661 1.00 1.21 N ATOM 197 CA PRO A 13 -13.430 -2.279 -1.803 1.00 50.33 C ATOM 198 C PRO A 13 -13.891 -2.916 -0.481 1.00 30.24 C ATOM 199 O PRO A 13 -14.289 -2.205 0.440 1.00 34.42 O ATOM 200 CB PRO A 13 -14.645 -1.923 -2.657 1.00 23.23 C ATOM 201 CG PRO A 13 -14.992 -3.231 -3.346 1.00 42.32 C ATOM 202 CD PRO A 13 -13.619 -3.804 -3.643 1.00 74.11 C ATOM 0 HA PRO A 13 -12.810 -1.433 -1.508 1.00 50.33 H new ATOM 0 HB2 PRO A 13 -15.472 -1.560 -2.047 1.00 23.23 H new ATOM 0 HB3 PRO A 13 -14.413 -1.139 -3.378 1.00 23.23 H new ATOM 0 HG2 PRO A 13 -15.578 -3.888 -2.703 1.00 42.32 H new ATOM 0 HG3 PRO A 13 -15.573 -3.072 -4.254 1.00 42.32 H new ATOM 0 HD2 PRO A 13 -13.626 -4.891 -3.566 1.00 74.11 H new ATOM 0 HD3 PRO A 13 -13.306 -3.558 -4.658 1.00 74.11 H new ATOM 210 N HIS A 14 -13.884 -4.249 -0.411 1.00 13.31 N ATOM 211 CA HIS A 14 -14.284 -5.059 0.739 1.00 4.13 C ATOM 212 C HIS A 14 -13.252 -4.998 1.875 1.00 21.14 C ATOM 213 O HIS A 14 -13.517 -5.464 2.984 1.00 34.03 O ATOM 214 CB HIS A 14 -14.560 -6.507 0.289 1.00 21.22 C ATOM 215 CG HIS A 14 -15.861 -7.071 0.803 1.00 65.12 C ATOM 216 ND1 HIS A 14 -16.015 -8.246 1.505 1.00 44.24 N ATOM 217 CD2 HIS A 14 -17.107 -6.554 0.573 1.00 52.44 C ATOM 218 CE1 HIS A 14 -17.329 -8.427 1.706 1.00 10.32 C ATOM 219 NE2 HIS A 14 -18.043 -7.432 1.146 1.00 51.22 N ATOM 0 H HIS A 14 -13.582 -4.822 -1.199 1.00 13.31 H new ATOM 0 HA HIS A 14 -15.205 -4.643 1.146 1.00 4.13 H new ATOM 0 HB2 HIS A 14 -14.565 -6.543 -0.800 1.00 21.22 H new ATOM 0 HB3 HIS A 14 -13.742 -7.144 0.625 1.00 21.22 H new ATOM 0 HD2 HIS A 14 -17.330 -5.638 0.047 1.00 52.44 H new ATOM 0 HE1 HIS A 14 -17.757 -9.259 2.245 1.00 10.32 H new ATOM 0 HE2 HIS A 14 -19.058 -7.335 1.139 1.00 51.22 H new ATOM 227 N SER A 15 -12.048 -4.499 1.591 1.00 2.44 N ATOM 228 CA SER A 15 -11.067 -4.082 2.566 1.00 74.13 C ATOM 229 C SER A 15 -10.989 -2.552 2.535 1.00 22.21 C ATOM 230 O SER A 15 -11.160 -1.933 1.485 1.00 72.02 O ATOM 231 CB SER A 15 -9.706 -4.648 2.161 1.00 43.42 C ATOM 232 OG SER A 15 -9.594 -6.065 2.208 1.00 63.43 O ATOM 0 H SER A 15 -11.726 -4.373 0.631 1.00 2.44 H new ATOM 0 HA SER A 15 -11.339 -4.434 3.561 1.00 74.13 H new ATOM 0 HB2 SER A 15 -9.481 -4.317 1.147 1.00 43.42 H new ATOM 0 HB3 SER A 15 -8.945 -4.219 2.813 1.00 43.42 H new ATOM 0 HG SER A 15 -8.787 -6.313 2.706 1.00 63.43 H new ATOM 238 N THR A 16 -10.580 -1.943 3.645 1.00 30.33 N ATOM 239 CA THR A 16 -10.321 -0.525 3.761 1.00 45.11 C ATOM 240 C THR A 16 -8.883 -0.386 4.246 1.00 1.12 C ATOM 241 O THR A 16 -8.054 0.178 3.535 1.00 25.31 O ATOM 242 CB THR A 16 -11.431 0.152 4.595 1.00 70.43 C ATOM 243 OG1 THR A 16 -11.250 1.548 4.609 1.00 1.12 O ATOM 244 CG2 THR A 16 -11.523 -0.312 6.052 1.00 34.24 C ATOM 0 H THR A 16 -10.416 -2.449 4.516 1.00 30.33 H new ATOM 0 HA THR A 16 -10.377 0.021 2.819 1.00 45.11 H new ATOM 0 HB THR A 16 -12.356 -0.142 4.100 1.00 70.43 H new ATOM 0 HG1 THR A 16 -11.730 1.948 3.854 1.00 1.12 H new ATOM 0 HG21 THR A 16 -12.331 0.221 6.553 1.00 34.24 H new ATOM 0 HG22 THR A 16 -11.722 -1.383 6.081 1.00 34.24 H new ATOM 0 HG23 THR A 16 -10.581 -0.104 6.560 1.00 34.24 H new ATOM 252 N MET A 17 -8.546 -0.971 5.396 1.00 45.12 N ATOM 253 CA MET A 17 -7.233 -0.821 6.010 1.00 31.11 C ATOM 254 C MET A 17 -6.951 -1.979 6.960 1.00 63.20 C ATOM 255 O MET A 17 -5.967 -2.695 6.793 1.00 42.32 O ATOM 256 CB MET A 17 -7.213 0.530 6.733 1.00 10.13 C ATOM 257 CG MET A 17 -5.810 0.947 7.172 1.00 54.11 C ATOM 258 SD MET A 17 -5.622 2.734 7.380 1.00 44.41 S ATOM 259 CE MET A 17 -5.644 3.209 5.635 1.00 25.43 C ATOM 0 H MET A 17 -9.182 -1.565 5.928 1.00 45.12 H new ATOM 0 HA MET A 17 -6.446 -0.842 5.256 1.00 31.11 H new ATOM 0 HB2 MET A 17 -7.625 1.295 6.075 1.00 10.13 H new ATOM 0 HB3 MET A 17 -7.862 0.478 7.607 1.00 10.13 H new ATOM 0 HG2 MET A 17 -5.570 0.452 8.113 1.00 54.11 H new ATOM 0 HG3 MET A 17 -5.088 0.597 6.435 1.00 54.11 H new ATOM 0 HE1 MET A 17 -5.610 4.295 5.553 1.00 25.43 H new ATOM 0 HE2 MET A 17 -4.778 2.780 5.130 1.00 25.43 H new ATOM 0 HE3 MET A 17 -6.557 2.838 5.168 1.00 25.43 H new ATOM 269 N ASP A 18 -7.829 -2.191 7.939 1.00 1.54 N ATOM 270 CA ASP A 18 -7.643 -3.153 9.012 1.00 10.11 C ATOM 271 C ASP A 18 -7.648 -4.596 8.520 1.00 64.11 C ATOM 272 O ASP A 18 -7.124 -5.473 9.199 1.00 32.11 O ATOM 273 CB ASP A 18 -8.788 -2.963 10.005 1.00 10.32 C ATOM 274 CG ASP A 18 -8.450 -1.888 11.024 1.00 61.04 C ATOM 275 OD1 ASP A 18 -7.964 -2.234 12.120 1.00 62.11 O ATOM 276 OD2 ASP A 18 -8.675 -0.700 10.700 1.00 44.30 O ATOM 0 H ASP A 18 -8.711 -1.683 8.005 1.00 1.54 H new ATOM 0 HA ASP A 18 -6.668 -2.976 9.467 1.00 10.11 H new ATOM 0 HB2 ASP A 18 -9.697 -2.689 9.470 1.00 10.32 H new ATOM 0 HB3 ASP A 18 -8.991 -3.904 10.517 1.00 10.32 H new ATOM 281 N SER A 19 -8.259 -4.855 7.366 1.00 74.40 N ATOM 282 CA SER A 19 -8.323 -6.153 6.691 1.00 62.10 C ATOM 283 C SER A 19 -7.202 -6.261 5.635 1.00 14.45 C ATOM 284 O SER A 19 -7.341 -6.938 4.616 1.00 50.22 O ATOM 285 CB SER A 19 -9.740 -6.284 6.110 1.00 41.20 C ATOM 286 OG SER A 19 -10.101 -7.605 5.772 1.00 51.33 O ATOM 0 H SER A 19 -8.750 -4.127 6.847 1.00 74.40 H new ATOM 0 HA SER A 19 -8.150 -6.984 7.374 1.00 62.10 H new ATOM 0 HB2 SER A 19 -10.456 -5.897 6.835 1.00 41.20 H new ATOM 0 HB3 SER A 19 -9.816 -5.658 5.221 1.00 41.20 H new ATOM 0 HG SER A 19 -9.386 -8.014 5.240 1.00 51.33 H new ATOM 292 N ILE A 20 -6.114 -5.506 5.817 1.00 50.13 N ATOM 293 CA ILE A 20 -4.930 -5.532 4.969 1.00 12.41 C ATOM 294 C ILE A 20 -3.704 -5.492 5.877 1.00 71.30 C ATOM 295 O ILE A 20 -2.796 -6.294 5.680 1.00 50.50 O ATOM 296 CB ILE A 20 -4.923 -4.371 3.949 1.00 14.15 C ATOM 297 CG1 ILE A 20 -6.229 -4.311 3.128 1.00 5.43 C ATOM 298 CG2 ILE A 20 -3.725 -4.520 2.992 1.00 21.42 C ATOM 299 CD1 ILE A 20 -6.414 -2.955 2.467 1.00 64.04 C ATOM 0 H ILE A 20 -6.036 -4.840 6.585 1.00 50.13 H new ATOM 0 HA ILE A 20 -4.924 -6.446 4.375 1.00 12.41 H new ATOM 0 HB ILE A 20 -4.839 -3.443 4.515 1.00 14.15 H new ATOM 0 HG12 ILE A 20 -6.216 -5.089 2.365 1.00 5.43 H new ATOM 0 HG13 ILE A 20 -7.078 -4.518 3.779 1.00 5.43 H new ATOM 0 HG21 ILE A 20 -3.727 -3.698 2.276 1.00 21.42 H new ATOM 0 HG22 ILE A 20 -2.798 -4.501 3.564 1.00 21.42 H new ATOM 0 HG23 ILE A 20 -3.802 -5.467 2.458 1.00 21.42 H new ATOM 0 HD11 ILE A 20 -7.344 -2.951 1.898 1.00 64.04 H new ATOM 0 HD12 ILE A 20 -6.454 -2.180 3.232 1.00 64.04 H new ATOM 0 HD13 ILE A 20 -5.577 -2.760 1.796 1.00 64.04 H new ATOM 311 N LEU A 21 -3.657 -4.569 6.850 1.00 73.32 N ATOM 312 CA LEU A 21 -2.442 -4.291 7.618 1.00 63.31 C ATOM 313 C LEU A 21 -1.836 -5.554 8.229 1.00 50.13 C ATOM 314 O LEU A 21 -0.626 -5.733 8.136 1.00 53.33 O ATOM 315 CB LEU A 21 -2.695 -3.250 8.732 1.00 53.12 C ATOM 316 CG LEU A 21 -2.124 -1.837 8.500 1.00 22.45 C ATOM 317 CD1 LEU A 21 -0.613 -1.795 8.277 1.00 51.33 C ATOM 318 CD2 LEU A 21 -2.827 -1.098 7.359 1.00 54.41 C ATOM 0 H LEU A 21 -4.458 -3.999 7.123 1.00 73.32 H new ATOM 0 HA LEU A 21 -1.727 -3.881 6.905 1.00 63.31 H new ATOM 0 HB2 LEU A 21 -3.772 -3.162 8.878 1.00 53.12 H new ATOM 0 HB3 LEU A 21 -2.278 -3.638 9.661 1.00 53.12 H new ATOM 0 HG LEU A 21 -2.326 -1.322 9.439 1.00 22.45 H new ATOM 0 HD11 LEU A 21 -0.297 -0.763 8.122 1.00 51.33 H new ATOM 0 HD12 LEU A 21 -0.105 -2.203 9.151 1.00 51.33 H new ATOM 0 HD13 LEU A 21 -0.358 -2.388 7.399 1.00 51.33 H new ATOM 0 HD21 LEU A 21 -2.385 -0.109 7.239 1.00 54.41 H new ATOM 0 HD22 LEU A 21 -2.710 -1.662 6.434 1.00 54.41 H new ATOM 0 HD23 LEU A 21 -3.887 -0.996 7.590 1.00 54.41 H new ATOM 330 N GLY A 22 -2.666 -6.417 8.816 1.00 22.23 N ATOM 331 CA GLY A 22 -2.253 -7.612 9.540 1.00 43.32 C ATOM 332 C GLY A 22 -2.286 -8.869 8.671 1.00 73.01 C ATOM 333 O GLY A 22 -2.468 -9.968 9.201 1.00 21.41 O ATOM 0 H GLY A 22 -3.679 -6.296 8.798 1.00 22.23 H new ATOM 0 HA2 GLY A 22 -1.244 -7.468 9.925 1.00 43.32 H new ATOM 0 HA3 GLY A 22 -2.906 -7.754 10.402 1.00 43.32 H new ATOM 337 N ALA A 23 -2.168 -8.726 7.353 1.00 70.40 N ATOM 338 CA ALA A 23 -2.151 -9.822 6.391 1.00 65.10 C ATOM 339 C ALA A 23 -1.113 -9.542 5.301 1.00 31.05 C ATOM 340 O ALA A 23 -0.355 -10.430 4.910 1.00 64.44 O ATOM 341 CB ALA A 23 -3.558 -9.979 5.812 1.00 11.42 C ATOM 0 H ALA A 23 -2.079 -7.811 6.911 1.00 70.40 H new ATOM 0 HA ALA A 23 -1.866 -10.756 6.875 1.00 65.10 H new ATOM 0 HB1 ALA A 23 -3.565 -10.795 5.089 1.00 11.42 H new ATOM 0 HB2 ALA A 23 -4.260 -10.200 6.616 1.00 11.42 H new ATOM 0 HB3 ALA A 23 -3.853 -9.054 5.317 1.00 11.42 H new ATOM 347 N LEU A 24 -1.032 -8.285 4.857 1.00 23.23 N ATOM 348 CA LEU A 24 -0.032 -7.771 3.935 1.00 3.51 C ATOM 349 C LEU A 24 1.278 -7.440 4.671 1.00 73.33 C ATOM 350 O LEU A 24 2.099 -6.688 4.138 1.00 11.33 O ATOM 351 CB LEU A 24 -0.608 -6.536 3.207 1.00 32.25 C ATOM 352 CG LEU A 24 0.025 -6.280 1.823 1.00 51.34 C ATOM 353 CD1 LEU A 24 -0.570 -7.229 0.775 1.00 10.31 C ATOM 354 CD2 LEU A 24 -0.218 -4.840 1.356 1.00 10.14 C ATOM 0 H LEU A 24 -1.697 -7.568 5.148 1.00 23.23 H new ATOM 0 HA LEU A 24 0.209 -8.534 3.195 1.00 3.51 H new ATOM 0 HB2 LEU A 24 -1.684 -6.665 3.086 1.00 32.25 H new ATOM 0 HB3 LEU A 24 -0.461 -5.655 3.832 1.00 32.25 H new ATOM 0 HG LEU A 24 1.096 -6.453 1.925 1.00 51.34 H new ATOM 0 HD11 LEU A 24 -0.112 -7.034 -0.195 1.00 10.31 H new ATOM 0 HD12 LEU A 24 -0.376 -8.261 1.067 1.00 10.31 H new ATOM 0 HD13 LEU A 24 -1.646 -7.067 0.707 1.00 10.31 H new ATOM 0 HD21 LEU A 24 0.240 -4.692 0.378 1.00 10.14 H new ATOM 0 HD22 LEU A 24 -1.290 -4.656 1.286 1.00 10.14 H new ATOM 0 HD23 LEU A 24 0.223 -4.146 2.072 1.00 10.14 H new ATOM 366 N ALA A 25 1.514 -7.985 5.872 1.00 41.42 N ATOM 367 CA ALA A 25 2.753 -7.812 6.623 1.00 2.12 C ATOM 368 C ALA A 25 3.524 -9.136 6.785 1.00 54.13 C ATOM 369 O ALA A 25 3.755 -9.586 7.909 1.00 31.43 O ATOM 370 CB ALA A 25 2.441 -7.147 7.961 1.00 33.01 C ATOM 0 H ALA A 25 0.831 -8.570 6.354 1.00 41.42 H new ATOM 0 HA ALA A 25 3.420 -7.159 6.060 1.00 2.12 H new ATOM 0 HB1 ALA A 25 3.364 -7.016 8.526 1.00 33.01 H new ATOM 0 HB2 ALA A 25 1.981 -6.174 7.785 1.00 33.01 H new ATOM 0 HB3 ALA A 25 1.755 -7.776 8.528 1.00 33.01 H new ATOM 376 N PRO A 26 3.966 -9.775 5.688 1.00 10.32 N ATOM 377 CA PRO A 26 4.977 -10.818 5.729 1.00 24.05 C ATOM 378 C PRO A 26 6.425 -10.285 5.693 1.00 31.42 C ATOM 379 O PRO A 26 7.325 -11.049 6.051 1.00 22.43 O ATOM 380 CB PRO A 26 4.687 -11.662 4.489 1.00 2.12 C ATOM 381 CG PRO A 26 4.222 -10.619 3.478 1.00 73.41 C ATOM 382 CD PRO A 26 3.436 -9.650 4.344 1.00 71.40 C ATOM 0 HA PRO A 26 4.920 -11.372 6.666 1.00 24.05 H new ATOM 0 HB2 PRO A 26 5.574 -12.194 4.144 1.00 2.12 H new ATOM 0 HB3 PRO A 26 3.920 -12.412 4.680 1.00 2.12 H new ATOM 0 HG2 PRO A 26 5.062 -10.131 2.983 1.00 73.41 H new ATOM 0 HG3 PRO A 26 3.603 -11.059 2.696 1.00 73.41 H new ATOM 0 HD2 PRO A 26 3.543 -8.629 3.978 1.00 71.40 H new ATOM 0 HD3 PRO A 26 2.372 -9.886 4.323 1.00 71.40 H new ATOM 390 N TYR A 27 6.698 -9.036 5.274 1.00 72.33 N ATOM 391 CA TYR A 27 8.061 -8.491 5.158 1.00 62.44 C ATOM 392 C TYR A 27 8.188 -7.205 5.978 1.00 70.04 C ATOM 393 O TYR A 27 8.931 -7.171 6.955 1.00 12.41 O ATOM 394 CB TYR A 27 8.480 -8.275 3.682 1.00 4.45 C ATOM 395 CG TYR A 27 7.860 -9.220 2.669 1.00 51.12 C ATOM 396 CD1 TYR A 27 7.168 -8.703 1.560 1.00 71.03 C ATOM 397 CD2 TYR A 27 7.918 -10.610 2.861 1.00 73.44 C ATOM 398 CE1 TYR A 27 6.479 -9.568 0.691 1.00 72.04 C ATOM 399 CE2 TYR A 27 7.185 -11.474 2.030 1.00 53.41 C ATOM 400 CZ TYR A 27 6.433 -10.952 0.955 1.00 25.22 C ATOM 401 OH TYR A 27 5.597 -11.741 0.232 1.00 44.42 O ATOM 0 H TYR A 27 5.972 -8.372 5.004 1.00 72.33 H new ATOM 0 HA TYR A 27 8.753 -9.228 5.567 1.00 62.44 H new ATOM 0 HB2 TYR A 27 8.226 -7.253 3.399 1.00 4.45 H new ATOM 0 HB3 TYR A 27 9.564 -8.364 3.616 1.00 4.45 H new ATOM 0 HD1 TYR A 27 7.165 -7.639 1.375 1.00 71.03 H new ATOM 0 HD2 TYR A 27 8.530 -11.017 3.652 1.00 73.44 H new ATOM 0 HE1 TYR A 27 5.983 -9.170 -0.182 1.00 72.04 H new ATOM 0 HE2 TYR A 27 7.197 -12.538 2.214 1.00 53.41 H new ATOM 0 HH TYR A 27 5.905 -11.778 -0.698 1.00 44.42 H new ATOM 411 N ALA A 28 7.450 -6.164 5.579 1.00 14.42 N ATOM 412 CA ALA A 28 7.413 -4.859 6.218 1.00 44.43 C ATOM 413 C ALA A 28 6.103 -4.746 6.993 1.00 4.13 C ATOM 414 O ALA A 28 5.025 -4.740 6.385 1.00 41.20 O ATOM 415 CB ALA A 28 7.530 -3.764 5.140 1.00 70.23 C ATOM 0 H ALA A 28 6.838 -6.218 4.765 1.00 14.42 H new ATOM 0 HA ALA A 28 8.245 -4.735 6.912 1.00 44.43 H new ATOM 0 HB1 ALA A 28 7.503 -2.783 5.614 1.00 70.23 H new ATOM 0 HB2 ALA A 28 8.471 -3.882 4.603 1.00 70.23 H new ATOM 0 HB3 ALA A 28 6.699 -3.852 4.440 1.00 70.23 H new ATOM 421 N VAL A 29 6.190 -4.662 8.317 1.00 72.10 N ATOM 422 CA VAL A 29 5.059 -4.409 9.195 1.00 3.43 C ATOM 423 C VAL A 29 4.871 -2.889 9.253 1.00 42.20 C ATOM 424 O VAL A 29 5.670 -2.175 9.866 1.00 45.10 O ATOM 425 CB VAL A 29 5.298 -5.014 10.594 1.00 31.24 C ATOM 426 CG1 VAL A 29 4.002 -4.897 11.404 1.00 43.11 C ATOM 427 CG2 VAL A 29 5.693 -6.496 10.614 1.00 5.12 C ATOM 0 H VAL A 29 7.072 -4.771 8.818 1.00 72.10 H new ATOM 0 HA VAL A 29 4.155 -4.884 8.815 1.00 3.43 H new ATOM 0 HB VAL A 29 6.136 -4.452 11.006 1.00 31.24 H new ATOM 0 HG11 VAL A 29 4.154 -5.321 12.397 1.00 43.11 H new ATOM 0 HG12 VAL A 29 3.724 -3.847 11.496 1.00 43.11 H new ATOM 0 HG13 VAL A 29 3.205 -5.440 10.896 1.00 43.11 H new ATOM 0 HG21 VAL A 29 5.837 -6.820 11.645 1.00 5.12 H new ATOM 0 HG22 VAL A 29 4.903 -7.089 10.154 1.00 5.12 H new ATOM 0 HG23 VAL A 29 6.620 -6.633 10.058 1.00 5.12 H new ATOM 437 N LEU A 30 3.848 -2.364 8.580 1.00 2.25 N ATOM 438 CA LEU A 30 3.616 -0.920 8.516 1.00 45.14 C ATOM 439 C LEU A 30 2.962 -0.393 9.793 1.00 24.21 C ATOM 440 O LEU A 30 2.333 -1.154 10.532 1.00 64.31 O ATOM 441 CB LEU A 30 2.728 -0.581 7.318 1.00 33.33 C ATOM 442 CG LEU A 30 3.299 -1.024 5.966 1.00 34.14 C ATOM 443 CD1 LEU A 30 2.197 -0.835 4.925 1.00 24.14 C ATOM 444 CD2 LEU A 30 4.558 -0.231 5.602 1.00 64.24 C ATOM 0 H LEU A 30 3.163 -2.920 8.068 1.00 2.25 H new ATOM 0 HA LEU A 30 4.588 -0.440 8.406 1.00 45.14 H new ATOM 0 HB2 LEU A 30 1.754 -1.049 7.459 1.00 33.33 H new ATOM 0 HB3 LEU A 30 2.564 0.496 7.295 1.00 33.33 H new ATOM 0 HG LEU A 30 3.605 -2.069 6.008 1.00 34.14 H new ATOM 0 HD11 LEU A 30 2.565 -1.140 3.946 1.00 24.14 H new ATOM 0 HD12 LEU A 30 1.334 -1.444 5.194 1.00 24.14 H new ATOM 0 HD13 LEU A 30 1.904 0.214 4.891 1.00 24.14 H new ATOM 0 HD21 LEU A 30 4.936 -0.571 4.638 1.00 64.24 H new ATOM 0 HD22 LEU A 30 4.315 0.830 5.543 1.00 64.24 H new ATOM 0 HD23 LEU A 30 5.320 -0.387 6.366 1.00 64.24 H new ATOM 456 N SER A 31 3.004 0.926 9.996 1.00 54.13 N ATOM 457 CA SER A 31 2.481 1.595 11.186 1.00 52.52 C ATOM 458 C SER A 31 1.129 2.270 10.919 1.00 24.14 C ATOM 459 O SER A 31 0.764 3.185 11.649 1.00 51.31 O ATOM 460 CB SER A 31 3.531 2.598 11.705 1.00 54.53 C ATOM 461 OG SER A 31 3.929 2.276 13.021 1.00 4.45 O ATOM 0 H SER A 31 3.413 1.572 9.321 1.00 54.13 H new ATOM 0 HA SER A 31 2.295 0.847 11.956 1.00 52.52 H new ATOM 0 HB2 SER A 31 4.400 2.594 11.047 1.00 54.53 H new ATOM 0 HB3 SER A 31 3.119 3.607 11.682 1.00 54.53 H new ATOM 0 HG SER A 31 4.596 2.924 13.329 1.00 4.45 H new ATOM 467 N SER A 32 0.357 1.810 9.920 1.00 71.31 N ATOM 468 CA SER A 32 -1.067 2.120 9.727 1.00 42.23 C ATOM 469 C SER A 32 -1.308 3.557 9.232 1.00 45.44 C ATOM 470 O SER A 32 -1.904 3.749 8.170 1.00 50.31 O ATOM 471 CB SER A 32 -1.795 1.792 11.041 1.00 45.10 C ATOM 472 OG SER A 32 -3.205 1.716 10.990 1.00 24.32 O ATOM 0 H SER A 32 0.723 1.189 9.198 1.00 71.31 H new ATOM 0 HA SER A 32 -1.476 1.505 8.925 1.00 42.23 H new ATOM 0 HB2 SER A 32 -1.417 0.838 11.409 1.00 45.10 H new ATOM 0 HB3 SER A 32 -1.523 2.548 11.777 1.00 45.10 H new ATOM 0 HG SER A 32 -3.553 1.501 11.880 1.00 24.32 H new ATOM 478 N SER A 33 -0.833 4.576 9.944 1.00 72.40 N ATOM 479 CA SER A 33 -0.873 5.979 9.547 1.00 45.12 C ATOM 480 C SER A 33 -0.106 6.227 8.244 1.00 5.13 C ATOM 481 O SER A 33 -0.519 7.077 7.453 1.00 32.02 O ATOM 482 CB SER A 33 -0.319 6.856 10.671 1.00 14.12 C ATOM 483 OG SER A 33 0.838 6.291 11.270 1.00 22.33 O ATOM 0 H SER A 33 -0.391 4.439 10.853 1.00 72.40 H new ATOM 0 HA SER A 33 -1.914 6.244 9.364 1.00 45.12 H new ATOM 0 HB2 SER A 33 -0.076 7.842 10.275 1.00 14.12 H new ATOM 0 HB3 SER A 33 -1.087 6.998 11.431 1.00 14.12 H new ATOM 0 HG SER A 33 1.160 6.883 11.981 1.00 22.33 H new ATOM 489 N ASN A 34 0.951 5.444 7.971 1.00 61.34 N ATOM 490 CA ASN A 34 1.689 5.428 6.705 1.00 21.11 C ATOM 491 C ASN A 34 0.733 5.271 5.532 1.00 1.13 C ATOM 492 O ASN A 34 1.033 5.731 4.441 1.00 11.23 O ATOM 493 CB ASN A 34 2.680 4.243 6.648 1.00 61.44 C ATOM 494 CG ASN A 34 3.551 4.153 7.873 1.00 32.02 C ATOM 495 OD1 ASN A 34 3.094 3.616 8.872 1.00 72.41 O ATOM 496 ND2 ASN A 34 4.759 4.677 7.828 1.00 44.21 N ATOM 0 H ASN A 34 1.325 4.783 8.652 1.00 61.34 H new ATOM 0 HA ASN A 34 2.229 6.373 6.643 1.00 21.11 H new ATOM 0 HB2 ASN A 34 2.122 3.313 6.535 1.00 61.44 H new ATOM 0 HB3 ASN A 34 3.311 4.345 5.765 1.00 61.44 H new ATOM 0 HD21 ASN A 34 5.360 4.646 8.652 1.00 44.21 H new ATOM 0 HD22 ASN A 34 5.094 5.114 6.969 1.00 44.21 H new ATOM 503 N VAL A 35 -0.374 4.555 5.742 1.00 45.52 N ATOM 504 CA VAL A 35 -1.232 4.048 4.697 1.00 44.21 C ATOM 505 C VAL A 35 -2.371 5.045 4.478 1.00 64.42 C ATOM 506 O VAL A 35 -3.336 5.104 5.240 1.00 14.13 O ATOM 507 CB VAL A 35 -1.679 2.612 5.037 1.00 53.33 C ATOM 508 CG1 VAL A 35 -2.311 1.956 3.803 1.00 50.20 C ATOM 509 CG2 VAL A 35 -0.487 1.754 5.510 1.00 34.33 C ATOM 0 H VAL A 35 -0.698 4.311 6.678 1.00 45.52 H new ATOM 0 HA VAL A 35 -0.708 3.963 3.745 1.00 44.21 H new ATOM 0 HB VAL A 35 -2.409 2.671 5.844 1.00 53.33 H new ATOM 0 HG11 VAL A 35 -2.624 0.942 4.050 1.00 50.20 H new ATOM 0 HG12 VAL A 35 -3.177 2.536 3.486 1.00 50.20 H new ATOM 0 HG13 VAL A 35 -1.581 1.923 2.994 1.00 50.20 H new ATOM 0 HG21 VAL A 35 -0.833 0.747 5.742 1.00 34.33 H new ATOM 0 HG22 VAL A 35 0.263 1.707 4.721 1.00 34.33 H new ATOM 0 HG23 VAL A 35 -0.048 2.201 6.402 1.00 34.33 H new ATOM 519 N ARG A 36 -2.263 5.849 3.428 1.00 61.24 N ATOM 520 CA ARG A 36 -3.306 6.729 2.915 1.00 44.41 C ATOM 521 C ARG A 36 -4.220 5.917 1.993 1.00 70.21 C ATOM 522 O ARG A 36 -3.784 5.494 0.925 1.00 23.41 O ATOM 523 CB ARG A 36 -2.615 7.913 2.200 1.00 12.34 C ATOM 524 CG ARG A 36 -2.631 9.201 3.032 1.00 24.04 C ATOM 525 CD ARG A 36 -3.881 10.030 2.724 1.00 50.32 C ATOM 526 NE ARG A 36 -4.182 10.971 3.813 1.00 25.04 N ATOM 527 CZ ARG A 36 -5.326 11.645 3.960 1.00 62.23 C ATOM 528 NH1 ARG A 36 -6.158 11.772 2.934 1.00 70.12 N ATOM 529 NH2 ARG A 36 -5.650 12.170 5.133 1.00 70.11 N ATOM 0 H ARG A 36 -1.402 5.908 2.884 1.00 61.24 H new ATOM 0 HA ARG A 36 -3.934 7.138 3.707 1.00 44.41 H new ATOM 0 HB2 ARG A 36 -1.583 7.644 1.976 1.00 12.34 H new ATOM 0 HB3 ARG A 36 -3.111 8.095 1.247 1.00 12.34 H new ATOM 0 HG2 ARG A 36 -2.605 8.954 4.093 1.00 24.04 H new ATOM 0 HG3 ARG A 36 -1.738 9.788 2.819 1.00 24.04 H new ATOM 0 HD2 ARG A 36 -3.734 10.581 1.795 1.00 50.32 H new ATOM 0 HD3 ARG A 36 -4.731 9.366 2.570 1.00 50.32 H new ATOM 0 HE ARG A 36 -3.457 11.122 4.515 1.00 25.04 H new ATOM 0 HH11 ARG A 36 -5.924 11.355 2.033 1.00 70.12 H new ATOM 0 HH12 ARG A 36 -7.031 12.287 3.046 1.00 70.12 H new ATOM 0 HH21 ARG A 36 -5.024 12.061 5.931 1.00 70.11 H new ATOM 0 HH22 ARG A 36 -6.525 12.683 5.238 1.00 70.11 H new ATOM 543 N VAL A 37 -5.472 5.692 2.399 1.00 2.32 N ATOM 544 CA VAL A 37 -6.571 5.105 1.622 1.00 25.41 C ATOM 545 C VAL A 37 -7.622 6.190 1.413 1.00 53.30 C ATOM 546 O VAL A 37 -8.377 6.522 2.329 1.00 54.41 O ATOM 547 CB VAL A 37 -7.130 3.823 2.300 1.00 44.12 C ATOM 548 CG1 VAL A 37 -8.249 3.092 1.530 1.00 45.10 C ATOM 549 CG2 VAL A 37 -6.026 2.760 2.390 1.00 64.41 C ATOM 0 H VAL A 37 -5.767 5.931 3.346 1.00 2.32 H new ATOM 0 HA VAL A 37 -6.218 4.768 0.647 1.00 25.41 H new ATOM 0 HB VAL A 37 -7.513 4.193 3.251 1.00 44.12 H new ATOM 0 HG11 VAL A 37 -8.564 2.213 2.093 1.00 45.10 H new ATOM 0 HG12 VAL A 37 -9.098 3.763 1.399 1.00 45.10 H new ATOM 0 HG13 VAL A 37 -7.877 2.783 0.553 1.00 45.10 H new ATOM 0 HG21 VAL A 37 -6.422 1.863 2.866 1.00 64.41 H new ATOM 0 HG22 VAL A 37 -5.675 2.514 1.388 1.00 64.41 H new ATOM 0 HG23 VAL A 37 -5.195 3.147 2.980 1.00 64.41 H new ATOM 559 N ILE A 38 -7.657 6.779 0.217 1.00 11.23 N ATOM 560 CA ILE A 38 -8.786 7.579 -0.253 1.00 54.22 C ATOM 561 C ILE A 38 -9.995 6.652 -0.336 1.00 45.44 C ATOM 562 O ILE A 38 -9.873 5.515 -0.808 1.00 50.51 O ATOM 563 CB ILE A 38 -8.493 8.198 -1.635 1.00 23.44 C ATOM 564 CG1 ILE A 38 -7.198 9.038 -1.671 1.00 53.42 C ATOM 565 CG2 ILE A 38 -9.696 9.037 -2.121 1.00 10.55 C ATOM 566 CD1 ILE A 38 -6.745 9.286 -3.113 1.00 12.34 C ATOM 0 H ILE A 38 -6.895 6.713 -0.458 1.00 11.23 H new ATOM 0 HA ILE A 38 -8.972 8.404 0.435 1.00 54.22 H new ATOM 0 HB ILE A 38 -8.335 7.362 -2.316 1.00 23.44 H new ATOM 0 HG12 ILE A 38 -7.364 9.991 -1.169 1.00 53.42 H new ATOM 0 HG13 ILE A 38 -6.410 8.522 -1.122 1.00 53.42 H new ATOM 0 HG21 ILE A 38 -9.470 9.465 -3.097 1.00 10.55 H new ATOM 0 HG22 ILE A 38 -10.576 8.399 -2.199 1.00 10.55 H new ATOM 0 HG23 ILE A 38 -9.891 9.839 -1.409 1.00 10.55 H new ATOM 0 HD11 ILE A 38 -5.831 9.880 -3.110 1.00 12.34 H new ATOM 0 HD12 ILE A 38 -6.556 8.332 -3.604 1.00 12.34 H new ATOM 0 HD13 ILE A 38 -7.525 9.823 -3.652 1.00 12.34 H new ATOM 578 N LYS A 39 -11.158 7.141 0.088 1.00 13.14 N ATOM 579 CA LYS A 39 -12.414 6.406 0.055 1.00 54.53 C ATOM 580 C LYS A 39 -13.442 7.271 -0.674 1.00 4.13 C ATOM 581 O LYS A 39 -13.323 8.493 -0.596 1.00 65.10 O ATOM 582 CB LYS A 39 -12.794 6.023 1.500 1.00 52.53 C ATOM 583 CG LYS A 39 -11.726 5.163 2.215 1.00 53.12 C ATOM 584 CD LYS A 39 -11.729 5.400 3.726 1.00 70.33 C ATOM 585 CE LYS A 39 -10.594 4.632 4.417 1.00 32.11 C ATOM 586 NZ LYS A 39 -10.821 4.529 5.875 1.00 71.40 N ATOM 0 H LYS A 39 -11.252 8.081 0.472 1.00 13.14 H new ATOM 0 HA LYS A 39 -12.350 5.467 -0.496 1.00 54.53 H new ATOM 0 HB2 LYS A 39 -12.960 6.933 2.076 1.00 52.53 H new ATOM 0 HB3 LYS A 39 -13.738 5.478 1.486 1.00 52.53 H new ATOM 0 HG2 LYS A 39 -11.912 4.108 2.012 1.00 53.12 H new ATOM 0 HG3 LYS A 39 -10.741 5.397 1.812 1.00 53.12 H new ATOM 0 HD2 LYS A 39 -11.625 6.466 3.929 1.00 70.33 H new ATOM 0 HD3 LYS A 39 -12.687 5.089 4.142 1.00 70.33 H new ATOM 0 HE2 LYS A 39 -10.515 3.633 3.988 1.00 32.11 H new ATOM 0 HE3 LYS A 39 -9.645 5.135 4.230 1.00 32.11 H new ATOM 0 HZ1 LYS A 39 -10.037 4.005 6.312 1.00 71.40 H new ATOM 0 HZ2 LYS A 39 -10.872 5.483 6.287 1.00 71.40 H new ATOM 0 HZ3 LYS A 39 -11.714 4.027 6.053 1.00 71.40 H new ATOM 600 N ASP A 40 -14.413 6.667 -1.373 1.00 34.01 N ATOM 601 CA ASP A 40 -15.443 7.352 -2.182 1.00 3.43 C ATOM 602 C ASP A 40 -16.062 8.559 -1.483 1.00 71.40 C ATOM 603 O ASP A 40 -15.597 9.674 -1.690 1.00 51.51 O ATOM 604 CB ASP A 40 -16.481 6.316 -2.630 1.00 31.11 C ATOM 605 CG ASP A 40 -17.703 6.912 -3.312 1.00 70.42 C ATOM 606 OD1 ASP A 40 -18.730 7.088 -2.622 1.00 31.21 O ATOM 607 OD2 ASP A 40 -17.635 7.162 -4.531 1.00 62.01 O ATOM 0 H ASP A 40 -14.510 5.652 -1.394 1.00 34.01 H new ATOM 0 HA ASP A 40 -14.967 7.782 -3.063 1.00 3.43 H new ATOM 0 HB2 ASP A 40 -16.004 5.613 -3.313 1.00 31.11 H new ATOM 0 HB3 ASP A 40 -16.807 5.745 -1.760 1.00 31.11 H new ATOM 612 N LYS A 41 -17.098 8.362 -0.681 1.00 4.13 N ATOM 613 CA LYS A 41 -17.821 9.353 0.104 1.00 10.31 C ATOM 614 C LYS A 41 -19.012 8.623 0.675 1.00 61.04 C ATOM 615 O LYS A 41 -19.242 8.598 1.878 1.00 23.22 O ATOM 616 CB LYS A 41 -18.293 10.548 -0.750 1.00 12.51 C ATOM 617 CG LYS A 41 -17.538 11.866 -0.509 1.00 54.12 C ATOM 618 CD LYS A 41 -17.870 12.846 -1.645 1.00 64.20 C ATOM 619 CE LYS A 41 -17.783 14.318 -1.242 1.00 1.43 C ATOM 620 NZ LYS A 41 -16.410 14.805 -1.002 1.00 62.11 N ATOM 0 H LYS A 41 -17.487 7.428 -0.552 1.00 4.13 H new ATOM 0 HA LYS A 41 -17.175 9.773 0.875 1.00 10.31 H new ATOM 0 HB2 LYS A 41 -18.198 10.281 -1.803 1.00 12.51 H new ATOM 0 HB3 LYS A 41 -19.353 10.715 -0.558 1.00 12.51 H new ATOM 0 HG2 LYS A 41 -17.823 12.293 0.452 1.00 54.12 H new ATOM 0 HG3 LYS A 41 -16.464 11.683 -0.471 1.00 54.12 H new ATOM 0 HD2 LYS A 41 -17.188 12.667 -2.476 1.00 64.20 H new ATOM 0 HD3 LYS A 41 -18.877 12.638 -2.008 1.00 64.20 H new ATOM 0 HE2 LYS A 41 -18.239 14.924 -2.025 1.00 1.43 H new ATOM 0 HE3 LYS A 41 -18.373 14.470 -0.338 1.00 1.43 H new ATOM 0 HZ1 LYS A 41 -16.440 15.809 -0.734 1.00 62.11 H new ATOM 0 HZ2 LYS A 41 -15.976 14.255 -0.234 1.00 62.11 H new ATOM 0 HZ3 LYS A 41 -15.846 14.695 -1.869 1.00 62.11 H new ATOM 634 N GLN A 42 -19.773 8.037 -0.241 1.00 45.44 N ATOM 635 CA GLN A 42 -21.106 7.531 0.057 1.00 43.51 C ATOM 636 C GLN A 42 -21.052 6.029 0.246 1.00 41.40 C ATOM 637 O GLN A 42 -21.687 5.503 1.156 1.00 50.12 O ATOM 638 CB GLN A 42 -22.105 7.936 -1.045 1.00 53.53 C ATOM 639 CG GLN A 42 -23.336 8.599 -0.404 1.00 52.32 C ATOM 640 CD GLN A 42 -24.322 9.164 -1.421 1.00 54.30 C ATOM 641 OE1 GLN A 42 -25.507 8.855 -1.407 1.00 14.44 O ATOM 642 NE2 GLN A 42 -23.896 10.057 -2.292 1.00 22.31 N ATOM 0 H GLN A 42 -19.484 7.900 -1.209 1.00 45.44 H new ATOM 0 HA GLN A 42 -21.460 7.977 0.986 1.00 43.51 H new ATOM 0 HB2 GLN A 42 -21.631 8.624 -1.745 1.00 53.53 H new ATOM 0 HB3 GLN A 42 -22.408 7.059 -1.616 1.00 53.53 H new ATOM 0 HG2 GLN A 42 -23.849 7.867 0.220 1.00 52.32 H new ATOM 0 HG3 GLN A 42 -23.005 9.402 0.254 1.00 52.32 H new ATOM 0 HE21 GLN A 42 -22.911 10.321 -2.311 1.00 22.31 H new ATOM 0 HE22 GLN A 42 -24.551 10.484 -2.947 1.00 22.31 H new ATOM 651 N THR A 43 -20.243 5.349 -0.560 1.00 41.13 N ATOM 652 CA THR A 43 -20.239 3.889 -0.604 1.00 43.41 C ATOM 653 C THR A 43 -19.479 3.281 0.583 1.00 50.40 C ATOM 654 O THR A 43 -19.520 2.074 0.806 1.00 63.13 O ATOM 655 CB THR A 43 -19.687 3.423 -1.959 1.00 45.31 C ATOM 656 OG1 THR A 43 -18.354 3.869 -2.125 1.00 11.42 O ATOM 657 CG2 THR A 43 -20.530 3.933 -3.126 1.00 42.53 C ATOM 0 H THR A 43 -19.577 5.788 -1.196 1.00 41.13 H new ATOM 0 HA THR A 43 -21.263 3.528 -0.509 1.00 43.41 H new ATOM 0 HB THR A 43 -19.722 2.334 -1.960 1.00 45.31 H new ATOM 0 HG1 THR A 43 -18.013 3.564 -2.992 1.00 11.42 H new ATOM 0 HG21 THR A 43 -20.103 3.580 -4.065 1.00 42.53 H new ATOM 0 HG22 THR A 43 -21.550 3.561 -3.028 1.00 42.53 H new ATOM 0 HG23 THR A 43 -20.539 5.023 -3.119 1.00 42.53 H new ATOM 665 N GLN A 44 -18.706 4.108 1.296 1.00 11.31 N ATOM 666 CA GLN A 44 -17.704 3.740 2.293 1.00 73.13 C ATOM 667 C GLN A 44 -16.620 2.780 1.745 1.00 4.41 C ATOM 668 O GLN A 44 -15.830 2.255 2.525 1.00 23.42 O ATOM 669 CB GLN A 44 -18.390 3.298 3.601 1.00 50.10 C ATOM 670 CG GLN A 44 -19.276 4.387 4.242 1.00 53.10 C ATOM 671 CD GLN A 44 -18.464 5.612 4.667 1.00 4.33 C ATOM 672 OE1 GLN A 44 -17.592 5.530 5.529 1.00 5.25 O ATOM 673 NE2 GLN A 44 -18.653 6.768 4.049 1.00 25.33 N ATOM 0 H GLN A 44 -18.771 5.119 1.181 1.00 11.31 H new ATOM 0 HA GLN A 44 -17.121 4.625 2.547 1.00 73.13 H new ATOM 0 HB2 GLN A 44 -19.001 2.418 3.400 1.00 50.10 H new ATOM 0 HB3 GLN A 44 -17.625 2.998 4.317 1.00 50.10 H new ATOM 0 HG2 GLN A 44 -20.046 4.691 3.533 1.00 53.10 H new ATOM 0 HG3 GLN A 44 -19.788 3.973 5.111 1.00 53.10 H new ATOM 0 HE21 GLN A 44 -19.373 6.851 3.331 1.00 25.33 H new ATOM 0 HE22 GLN A 44 -18.078 7.575 4.291 1.00 25.33 H new ATOM 682 N LEU A 45 -16.509 2.618 0.416 1.00 25.44 N ATOM 683 CA LEU A 45 -15.471 1.839 -0.276 1.00 14.55 C ATOM 684 C LEU A 45 -14.252 2.706 -0.610 1.00 43.41 C ATOM 685 O LEU A 45 -14.271 3.913 -0.352 1.00 53.41 O ATOM 686 CB LEU A 45 -16.017 1.271 -1.591 1.00 73.02 C ATOM 687 CG LEU A 45 -17.386 0.584 -1.505 1.00 41.20 C ATOM 688 CD1 LEU A 45 -17.796 0.141 -2.909 1.00 45.34 C ATOM 689 CD2 LEU A 45 -17.433 -0.520 -0.448 1.00 2.41 C ATOM 0 H LEU A 45 -17.170 3.046 -0.233 1.00 25.44 H new ATOM 0 HA LEU A 45 -15.175 1.034 0.396 1.00 14.55 H new ATOM 0 HB2 LEU A 45 -16.084 2.083 -2.315 1.00 73.02 H new ATOM 0 HB3 LEU A 45 -15.296 0.554 -1.982 1.00 73.02 H new ATOM 0 HG LEU A 45 -18.133 1.294 -1.148 1.00 41.20 H new ATOM 0 HD11 LEU A 45 -18.768 -0.350 -2.866 1.00 45.34 H new ATOM 0 HD12 LEU A 45 -17.858 1.012 -3.562 1.00 45.34 H new ATOM 0 HD13 LEU A 45 -17.055 -0.555 -3.302 1.00 45.34 H new ATOM 0 HD21 LEU A 45 -18.426 -0.969 -0.434 1.00 2.41 H new ATOM 0 HD22 LEU A 45 -16.693 -1.284 -0.687 1.00 2.41 H new ATOM 0 HD23 LEU A 45 -17.213 -0.095 0.532 1.00 2.41 H new ATOM 701 N ASN A 46 -13.221 2.117 -1.236 1.00 21.13 N ATOM 702 CA ASN A 46 -11.932 2.749 -1.541 1.00 72.14 C ATOM 703 C ASN A 46 -11.729 2.879 -3.066 1.00 24.33 C ATOM 704 O ASN A 46 -12.489 2.291 -3.833 1.00 70.00 O ATOM 705 CB ASN A 46 -10.788 2.021 -0.813 1.00 1.52 C ATOM 706 CG ASN A 46 -10.336 0.705 -1.401 1.00 32.23 C ATOM 707 OD1 ASN A 46 -9.834 0.666 -2.512 1.00 31.42 O ATOM 708 ND2 ASN A 46 -10.366 -0.371 -0.647 1.00 13.15 N ATOM 0 H ASN A 46 -13.266 1.149 -1.555 1.00 21.13 H new ATOM 0 HA ASN A 46 -11.928 3.770 -1.159 1.00 72.14 H new ATOM 0 HB2 ASN A 46 -9.928 2.690 -0.776 1.00 1.52 H new ATOM 0 HB3 ASN A 46 -11.098 1.844 0.217 1.00 1.52 H new ATOM 0 HD21 ASN A 46 -9.968 -1.245 -0.990 1.00 13.15 H new ATOM 0 HD22 ASN A 46 -10.787 -0.332 0.281 1.00 13.15 H new ATOM 715 N ARG A 47 -10.763 3.694 -3.520 1.00 13.11 N ATOM 716 CA ARG A 47 -10.502 3.991 -4.948 1.00 50.13 C ATOM 717 C ARG A 47 -9.716 2.869 -5.647 1.00 53.14 C ATOM 718 O ARG A 47 -9.601 2.872 -6.871 1.00 11.13 O ATOM 719 CB ARG A 47 -9.668 5.280 -5.130 1.00 25.04 C ATOM 720 CG ARG A 47 -10.210 6.609 -4.573 1.00 30.23 C ATOM 721 CD ARG A 47 -10.898 7.558 -5.568 1.00 53.54 C ATOM 722 NE ARG A 47 -10.018 7.974 -6.681 1.00 30.42 N ATOM 723 CZ ARG A 47 -10.384 8.165 -7.957 1.00 14.15 C ATOM 724 NH1 ARG A 47 -11.669 8.137 -8.311 1.00 21.14 N ATOM 725 NH2 ARG A 47 -9.453 8.366 -8.882 1.00 11.23 N ATOM 0 H ARG A 47 -10.122 4.180 -2.892 1.00 13.11 H new ATOM 0 HA ARG A 47 -11.492 4.100 -5.391 1.00 50.13 H new ATOM 0 HB2 ARG A 47 -8.693 5.107 -4.675 1.00 25.04 H new ATOM 0 HB3 ARG A 47 -9.502 5.415 -6.199 1.00 25.04 H new ATOM 0 HG2 ARG A 47 -10.921 6.378 -3.779 1.00 30.23 H new ATOM 0 HG3 ARG A 47 -9.381 7.146 -4.112 1.00 30.23 H new ATOM 0 HD2 ARG A 47 -11.782 7.067 -5.976 1.00 53.54 H new ATOM 0 HD3 ARG A 47 -11.243 8.444 -5.035 1.00 53.54 H new ATOM 0 HE ARG A 47 -9.036 8.131 -6.456 1.00 30.42 H new ATOM 0 HH11 ARG A 47 -12.388 7.969 -7.608 1.00 21.14 H new ATOM 0 HH12 ARG A 47 -11.933 8.284 -9.285 1.00 21.14 H new ATOM 0 HH21 ARG A 47 -8.467 8.374 -8.620 1.00 11.23 H new ATOM 0 HH22 ARG A 47 -9.724 8.512 -9.855 1.00 11.23 H new ATOM 739 N GLY A 48 -9.113 1.955 -4.893 1.00 4.51 N ATOM 740 CA GLY A 48 -8.420 0.775 -5.387 1.00 5.52 C ATOM 741 C GLY A 48 -6.893 0.893 -5.414 1.00 42.20 C ATOM 742 O GLY A 48 -6.205 -0.004 -5.907 1.00 53.42 O ATOM 0 H GLY A 48 -9.095 2.022 -3.875 1.00 4.51 H new ATOM 0 HA2 GLY A 48 -8.694 -0.077 -4.765 1.00 5.52 H new ATOM 0 HA3 GLY A 48 -8.772 0.560 -6.396 1.00 5.52 H new ATOM 746 N PHE A 49 -6.335 1.911 -4.760 1.00 45.40 N ATOM 747 CA PHE A 49 -4.899 2.109 -4.570 1.00 2.22 C ATOM 748 C PHE A 49 -4.690 2.827 -3.237 1.00 63.11 C ATOM 749 O PHE A 49 -5.613 3.457 -2.713 1.00 14.52 O ATOM 750 CB PHE A 49 -4.304 2.904 -5.744 1.00 44.33 C ATOM 751 CG PHE A 49 -5.022 4.197 -6.049 1.00 2.54 C ATOM 752 CD1 PHE A 49 -4.609 5.396 -5.440 1.00 45.40 C ATOM 753 CD2 PHE A 49 -6.123 4.190 -6.921 1.00 51.41 C ATOM 754 CE1 PHE A 49 -5.336 6.578 -5.666 1.00 22.11 C ATOM 755 CE2 PHE A 49 -6.850 5.371 -7.140 1.00 34.35 C ATOM 756 CZ PHE A 49 -6.468 6.559 -6.496 1.00 33.04 C ATOM 0 H PHE A 49 -6.893 2.649 -4.331 1.00 45.40 H new ATOM 0 HA PHE A 49 -4.382 1.150 -4.546 1.00 2.22 H new ATOM 0 HB2 PHE A 49 -3.260 3.126 -5.525 1.00 44.33 H new ATOM 0 HB3 PHE A 49 -4.316 2.277 -6.635 1.00 44.33 H new ATOM 0 HD1 PHE A 49 -3.738 5.408 -4.802 1.00 45.40 H new ATOM 0 HD2 PHE A 49 -6.410 3.277 -7.422 1.00 51.41 H new ATOM 0 HE1 PHE A 49 -5.023 7.501 -5.201 1.00 22.11 H new ATOM 0 HE2 PHE A 49 -7.702 5.366 -7.803 1.00 34.35 H new ATOM 0 HZ PHE A 49 -7.046 7.460 -6.640 1.00 33.04 H new ATOM 766 N ALA A 50 -3.494 2.742 -2.663 1.00 43.33 N ATOM 767 CA ALA A 50 -3.142 3.404 -1.409 1.00 30.35 C ATOM 768 C ALA A 50 -1.734 3.965 -1.531 1.00 12.54 C ATOM 769 O ALA A 50 -1.002 3.558 -2.426 1.00 10.14 O ATOM 770 CB ALA A 50 -3.235 2.413 -0.242 1.00 21.25 C ATOM 0 H ALA A 50 -2.727 2.201 -3.063 1.00 43.33 H new ATOM 0 HA ALA A 50 -3.839 4.219 -1.211 1.00 30.35 H new ATOM 0 HB1 ALA A 50 -2.970 2.919 0.687 1.00 21.25 H new ATOM 0 HB2 ALA A 50 -4.253 2.031 -0.170 1.00 21.25 H new ATOM 0 HB3 ALA A 50 -2.548 1.584 -0.413 1.00 21.25 H new ATOM 776 N PHE A 51 -1.339 4.845 -0.620 1.00 12.41 N ATOM 777 CA PHE A 51 -0.030 5.476 -0.576 1.00 11.11 C ATOM 778 C PHE A 51 0.573 5.118 0.768 1.00 42.50 C ATOM 779 O PHE A 51 -0.146 5.112 1.762 1.00 51.32 O ATOM 780 CB PHE A 51 -0.182 6.994 -0.715 1.00 74.31 C ATOM 781 CG PHE A 51 -0.947 7.428 -1.943 1.00 12.42 C ATOM 782 CD1 PHE A 51 -2.340 7.605 -1.867 1.00 54.50 C ATOM 783 CD2 PHE A 51 -0.275 7.657 -3.155 1.00 2.45 C ATOM 784 CE1 PHE A 51 -3.060 8.010 -3.000 1.00 23.14 C ATOM 785 CE2 PHE A 51 -0.998 8.039 -4.295 1.00 51.23 C ATOM 786 CZ PHE A 51 -2.390 8.210 -4.220 1.00 73.02 C ATOM 0 H PHE A 51 -1.949 5.150 0.139 1.00 12.41 H new ATOM 0 HA PHE A 51 0.610 5.135 -1.390 1.00 11.11 H new ATOM 0 HB2 PHE A 51 -0.688 7.380 0.170 1.00 74.31 H new ATOM 0 HB3 PHE A 51 0.809 7.447 -0.739 1.00 74.31 H new ATOM 0 HD1 PHE A 51 -2.856 7.429 -0.935 1.00 54.50 H new ATOM 0 HD2 PHE A 51 0.797 7.539 -3.209 1.00 2.45 H new ATOM 0 HE1 PHE A 51 -4.126 8.168 -2.936 1.00 23.14 H new ATOM 0 HE2 PHE A 51 -0.484 8.202 -5.231 1.00 51.23 H new ATOM 0 HZ PHE A 51 -2.947 8.495 -5.100 1.00 73.02 H new ATOM 796 N ILE A 52 1.855 4.785 0.785 1.00 42.52 N ATOM 797 CA ILE A 52 2.614 4.263 1.912 1.00 72.41 C ATOM 798 C ILE A 52 3.980 4.916 1.894 1.00 50.53 C ATOM 799 O ILE A 52 4.683 4.783 0.894 1.00 30.34 O ATOM 800 CB ILE A 52 2.696 2.722 1.840 1.00 5.32 C ATOM 801 CG1 ILE A 52 1.277 2.108 1.803 1.00 54.51 C ATOM 802 CG2 ILE A 52 3.594 2.166 2.959 1.00 1.51 C ATOM 803 CD1 ILE A 52 1.213 0.594 1.665 1.00 22.34 C ATOM 0 H ILE A 52 2.434 4.879 -0.049 1.00 42.52 H new ATOM 0 HA ILE A 52 2.122 4.498 2.856 1.00 72.41 H new ATOM 0 HB ILE A 52 3.177 2.425 0.908 1.00 5.32 H new ATOM 0 HG12 ILE A 52 0.755 2.393 2.716 1.00 54.51 H new ATOM 0 HG13 ILE A 52 0.731 2.553 0.971 1.00 54.51 H new ATOM 0 HG21 ILE A 52 3.635 1.079 2.886 1.00 1.51 H new ATOM 0 HG22 ILE A 52 4.599 2.575 2.856 1.00 1.51 H new ATOM 0 HG23 ILE A 52 3.185 2.449 3.929 1.00 1.51 H new ATOM 0 HD11 ILE A 52 0.171 0.274 1.650 1.00 22.34 H new ATOM 0 HD12 ILE A 52 1.699 0.292 0.737 1.00 22.34 H new ATOM 0 HD13 ILE A 52 1.723 0.130 2.509 1.00 22.34 H new ATOM 815 N GLN A 53 4.382 5.607 2.961 1.00 50.13 N ATOM 816 CA GLN A 53 5.677 6.250 3.005 1.00 14.55 C ATOM 817 C GLN A 53 6.439 5.874 4.277 1.00 52.11 C ATOM 818 O GLN A 53 5.834 5.587 5.316 1.00 24.14 O ATOM 819 CB GLN A 53 5.531 7.747 2.760 1.00 62.43 C ATOM 820 CG GLN A 53 4.462 8.497 3.547 1.00 65.02 C ATOM 821 CD GLN A 53 3.012 8.394 3.066 1.00 50.12 C ATOM 822 OE1 GLN A 53 2.097 8.679 3.823 1.00 13.15 O ATOM 823 NE2 GLN A 53 2.749 8.034 1.819 1.00 70.33 N ATOM 0 H GLN A 53 3.821 5.731 3.804 1.00 50.13 H new ATOM 0 HA GLN A 53 6.302 5.880 2.193 1.00 14.55 H new ATOM 0 HB2 GLN A 53 6.492 8.216 2.971 1.00 62.43 H new ATOM 0 HB3 GLN A 53 5.330 7.894 1.699 1.00 62.43 H new ATOM 0 HG2 GLN A 53 4.498 8.145 4.578 1.00 65.02 H new ATOM 0 HG3 GLN A 53 4.735 9.552 3.560 1.00 65.02 H new ATOM 0 HE21 GLN A 53 3.512 7.796 1.185 1.00 70.33 H new ATOM 0 HE22 GLN A 53 1.784 7.995 1.492 1.00 70.33 H new ATOM 832 N LEU A 54 7.769 5.901 4.181 1.00 44.40 N ATOM 833 CA LEU A 54 8.743 5.380 5.142 1.00 71.31 C ATOM 834 C LEU A 54 9.891 6.393 5.301 1.00 50.23 C ATOM 835 O LEU A 54 9.807 7.515 4.792 1.00 32.43 O ATOM 836 CB LEU A 54 9.245 4.000 4.647 1.00 31.03 C ATOM 837 CG LEU A 54 8.356 2.787 4.984 1.00 24.35 C ATOM 838 CD1 LEU A 54 8.981 1.526 4.369 1.00 31.24 C ATOM 839 CD2 LEU A 54 8.273 2.584 6.494 1.00 2.12 C ATOM 0 H LEU A 54 8.227 6.318 3.371 1.00 44.40 H new ATOM 0 HA LEU A 54 8.288 5.241 6.123 1.00 71.31 H new ATOM 0 HB2 LEU A 54 9.363 4.047 3.564 1.00 31.03 H new ATOM 0 HB3 LEU A 54 10.235 3.825 5.068 1.00 31.03 H new ATOM 0 HG LEU A 54 7.357 2.966 4.586 1.00 24.35 H new ATOM 0 HD11 LEU A 54 8.359 0.661 4.602 1.00 31.24 H new ATOM 0 HD12 LEU A 54 9.049 1.644 3.287 1.00 31.24 H new ATOM 0 HD13 LEU A 54 9.979 1.377 4.781 1.00 31.24 H new ATOM 0 HD21 LEU A 54 7.641 1.723 6.711 1.00 2.12 H new ATOM 0 HD22 LEU A 54 9.272 2.410 6.893 1.00 2.12 H new ATOM 0 HD23 LEU A 54 7.846 3.473 6.958 1.00 2.12 H new ATOM 851 N SER A 55 10.937 6.044 6.055 1.00 10.43 N ATOM 852 CA SER A 55 12.222 6.749 6.065 1.00 62.30 C ATOM 853 C SER A 55 12.838 6.729 4.656 1.00 73.23 C ATOM 854 O SER A 55 12.567 5.802 3.896 1.00 42.52 O ATOM 855 CB SER A 55 13.145 6.025 7.056 1.00 21.11 C ATOM 856 OG SER A 55 13.442 6.804 8.197 1.00 30.31 O ATOM 0 H SER A 55 10.914 5.246 6.690 1.00 10.43 H new ATOM 0 HA SER A 55 12.088 7.789 6.364 1.00 62.30 H new ATOM 0 HB2 SER A 55 12.674 5.094 7.370 1.00 21.11 H new ATOM 0 HB3 SER A 55 14.074 5.758 6.552 1.00 21.11 H new ATOM 0 HG SER A 55 14.030 6.297 8.795 1.00 30.31 H new ATOM 862 N THR A 56 13.712 7.685 4.323 1.00 63.44 N ATOM 863 CA THR A 56 14.186 7.878 2.949 1.00 13.24 C ATOM 864 C THR A 56 14.943 6.659 2.406 1.00 14.42 C ATOM 865 O THR A 56 14.689 6.178 1.300 1.00 32.03 O ATOM 866 CB THR A 56 15.031 9.165 2.854 1.00 71.42 C ATOM 867 OG1 THR A 56 16.136 9.132 3.747 1.00 50.54 O ATOM 868 CG2 THR A 56 14.225 10.429 3.174 1.00 1.24 C ATOM 0 H THR A 56 14.108 8.343 4.994 1.00 63.44 H new ATOM 0 HA THR A 56 13.309 7.990 2.312 1.00 13.24 H new ATOM 0 HB THR A 56 15.372 9.203 1.819 1.00 71.42 H new ATOM 0 HG1 THR A 56 16.651 9.961 3.660 1.00 50.54 H new ATOM 0 HG21 THR A 56 14.871 11.303 3.091 1.00 1.24 H new ATOM 0 HG22 THR A 56 13.398 10.521 2.470 1.00 1.24 H new ATOM 0 HG23 THR A 56 13.832 10.363 4.189 1.00 1.24 H new ATOM 876 N ILE A 57 15.901 6.157 3.183 1.00 63.22 N ATOM 877 CA ILE A 57 16.640 4.936 2.885 1.00 24.33 C ATOM 878 C ILE A 57 15.705 3.731 2.970 1.00 30.25 C ATOM 879 O ILE A 57 15.715 2.877 2.085 1.00 43.52 O ATOM 880 CB ILE A 57 17.883 4.824 3.797 1.00 51.20 C ATOM 881 CG1 ILE A 57 18.777 6.075 3.631 1.00 2.11 C ATOM 882 CG2 ILE A 57 18.638 3.509 3.548 1.00 11.31 C ATOM 883 CD1 ILE A 57 19.936 6.154 4.618 1.00 10.41 C ATOM 0 H ILE A 57 16.190 6.599 4.056 1.00 63.22 H new ATOM 0 HA ILE A 57 17.018 4.965 1.863 1.00 24.33 H new ATOM 0 HB ILE A 57 17.562 4.793 4.838 1.00 51.20 H new ATOM 0 HG12 ILE A 57 19.177 6.089 2.617 1.00 2.11 H new ATOM 0 HG13 ILE A 57 18.159 6.966 3.742 1.00 2.11 H new ATOM 0 HG21 ILE A 57 19.507 3.459 4.204 1.00 11.31 H new ATOM 0 HG22 ILE A 57 17.978 2.666 3.754 1.00 11.31 H new ATOM 0 HG23 ILE A 57 18.965 3.468 2.509 1.00 11.31 H new ATOM 0 HD11 ILE A 57 20.511 7.061 4.432 1.00 10.41 H new ATOM 0 HD12 ILE A 57 19.546 6.174 5.636 1.00 10.41 H new ATOM 0 HD13 ILE A 57 20.580 5.284 4.493 1.00 10.41 H new ATOM 895 N GLU A 58 14.908 3.663 4.037 1.00 63.20 N ATOM 896 CA GLU A 58 14.092 2.506 4.379 1.00 65.40 C ATOM 897 C GLU A 58 13.098 2.192 3.267 1.00 43.11 C ATOM 898 O GLU A 58 13.025 1.048 2.827 1.00 14.54 O ATOM 899 CB GLU A 58 13.372 2.744 5.708 1.00 72.13 C ATOM 900 CG GLU A 58 14.362 2.827 6.881 1.00 73.43 C ATOM 901 CD GLU A 58 14.694 1.462 7.483 1.00 45.54 C ATOM 902 OE1 GLU A 58 14.603 1.341 8.727 1.00 65.03 O ATOM 903 OE2 GLU A 58 14.940 0.494 6.734 1.00 31.12 O ATOM 0 H GLU A 58 14.812 4.431 4.701 1.00 63.20 H new ATOM 0 HA GLU A 58 14.746 1.641 4.490 1.00 65.40 H new ATOM 0 HB2 GLU A 58 12.797 3.668 5.650 1.00 72.13 H new ATOM 0 HB3 GLU A 58 12.662 1.937 5.887 1.00 72.13 H new ATOM 0 HG2 GLU A 58 15.282 3.300 6.539 1.00 73.43 H new ATOM 0 HG3 GLU A 58 13.944 3.468 7.657 1.00 73.43 H new ATOM 910 N ALA A 59 12.381 3.213 2.787 1.00 63.32 N ATOM 911 CA ALA A 59 11.447 3.125 1.678 1.00 31.14 C ATOM 912 C ALA A 59 12.111 2.433 0.486 1.00 73.24 C ATOM 913 O ALA A 59 11.631 1.402 0.018 1.00 32.12 O ATOM 914 CB ALA A 59 10.988 4.535 1.280 1.00 74.20 C ATOM 0 H ALA A 59 12.443 4.153 3.179 1.00 63.32 H new ATOM 0 HA ALA A 59 10.581 2.539 1.984 1.00 31.14 H new ATOM 0 HB1 ALA A 59 10.287 4.468 0.448 1.00 74.20 H new ATOM 0 HB2 ALA A 59 10.498 5.012 2.129 1.00 74.20 H new ATOM 0 HB3 ALA A 59 11.852 5.128 0.980 1.00 74.20 H new ATOM 920 N ALA A 60 13.218 3.008 0.004 1.00 43.10 N ATOM 921 CA ALA A 60 13.915 2.552 -1.188 1.00 31.24 C ATOM 922 C ALA A 60 14.488 1.143 -0.999 1.00 72.24 C ATOM 923 O ALA A 60 14.435 0.330 -1.921 1.00 33.31 O ATOM 924 CB ALA A 60 15.031 3.545 -1.530 1.00 45.42 C ATOM 0 H ALA A 60 13.657 3.817 0.444 1.00 43.10 H new ATOM 0 HA ALA A 60 13.203 2.504 -2.012 1.00 31.24 H new ATOM 0 HB1 ALA A 60 15.557 3.208 -2.423 1.00 45.42 H new ATOM 0 HB2 ALA A 60 14.599 4.529 -1.713 1.00 45.42 H new ATOM 0 HB3 ALA A 60 15.732 3.606 -0.697 1.00 45.42 H new ATOM 930 N GLN A 61 15.067 0.840 0.167 1.00 21.34 N ATOM 931 CA GLN A 61 15.586 -0.491 0.477 1.00 45.54 C ATOM 932 C GLN A 61 14.466 -1.520 0.374 1.00 23.33 C ATOM 933 O GLN A 61 14.585 -2.475 -0.397 1.00 31.12 O ATOM 934 CB GLN A 61 16.178 -0.535 1.890 1.00 73.02 C ATOM 935 CG GLN A 61 17.585 0.051 2.010 1.00 21.44 C ATOM 936 CD GLN A 61 18.161 -0.211 3.402 1.00 61.13 C ATOM 937 OE1 GLN A 61 19.230 -0.800 3.537 1.00 24.04 O ATOM 938 NE2 GLN A 61 17.468 0.181 4.456 1.00 5.44 N ATOM 0 H GLN A 61 15.188 1.514 0.923 1.00 21.34 H new ATOM 0 HA GLN A 61 16.373 -0.722 -0.241 1.00 45.54 H new ATOM 0 HB2 GLN A 61 15.515 0.006 2.565 1.00 73.02 H new ATOM 0 HB3 GLN A 61 16.200 -1.571 2.228 1.00 73.02 H new ATOM 0 HG2 GLN A 61 18.234 -0.390 1.253 1.00 21.44 H new ATOM 0 HG3 GLN A 61 17.555 1.124 1.819 1.00 21.44 H new ATOM 0 HE21 GLN A 61 16.581 0.669 4.331 1.00 5.44 H new ATOM 0 HE22 GLN A 61 17.820 -0.005 5.395 1.00 5.44 H new ATOM 947 N LEU A 62 13.394 -1.322 1.148 1.00 33.35 N ATOM 948 CA LEU A 62 12.307 -2.283 1.255 1.00 42.32 C ATOM 949 C LEU A 62 11.646 -2.459 -0.104 1.00 72.02 C ATOM 950 O LEU A 62 11.370 -3.582 -0.514 1.00 13.45 O ATOM 951 CB LEU A 62 11.279 -1.829 2.305 1.00 22.34 C ATOM 952 CG LEU A 62 10.670 -2.943 3.148 1.00 43.22 C ATOM 953 CD1 LEU A 62 10.203 -4.180 2.388 1.00 53.33 C ATOM 954 CD2 LEU A 62 11.566 -3.345 4.321 1.00 64.02 C ATOM 0 H LEU A 62 13.261 -0.486 1.717 1.00 33.35 H new ATOM 0 HA LEU A 62 12.713 -3.241 1.579 1.00 42.32 H new ATOM 0 HB2 LEU A 62 11.758 -1.112 2.972 1.00 22.34 H new ATOM 0 HB3 LEU A 62 10.473 -1.300 1.795 1.00 22.34 H new ATOM 0 HG LEU A 62 9.759 -2.483 3.530 1.00 43.22 H new ATOM 0 HD11 LEU A 62 9.788 -4.903 3.090 1.00 53.33 H new ATOM 0 HD12 LEU A 62 9.438 -3.896 1.666 1.00 53.33 H new ATOM 0 HD13 LEU A 62 11.049 -4.626 1.864 1.00 53.33 H new ATOM 0 HD21 LEU A 62 11.086 -4.142 4.889 1.00 64.02 H new ATOM 0 HD22 LEU A 62 12.525 -3.697 3.942 1.00 64.02 H new ATOM 0 HD23 LEU A 62 11.726 -2.483 4.969 1.00 64.02 H new ATOM 966 N LEU A 63 11.434 -1.365 -0.837 1.00 32.32 N ATOM 967 CA LEU A 63 10.818 -1.409 -2.150 1.00 33.22 C ATOM 968 C LEU A 63 11.550 -2.402 -3.064 1.00 11.34 C ATOM 969 O LEU A 63 10.904 -3.172 -3.771 1.00 3.42 O ATOM 970 CB LEU A 63 10.859 -0.006 -2.783 1.00 50.53 C ATOM 971 CG LEU A 63 10.332 0.054 -4.234 1.00 31.42 C ATOM 972 CD1 LEU A 63 8.804 0.176 -4.275 1.00 2.22 C ATOM 973 CD2 LEU A 63 10.979 1.229 -4.963 1.00 71.02 C ATOM 0 H LEU A 63 11.687 -0.426 -0.530 1.00 32.32 H new ATOM 0 HA LEU A 63 9.785 -1.737 -2.037 1.00 33.22 H new ATOM 0 HB2 LEU A 63 10.271 0.675 -2.167 1.00 50.53 H new ATOM 0 HB3 LEU A 63 11.887 0.357 -2.767 1.00 50.53 H new ATOM 0 HG LEU A 63 10.598 -0.877 -4.734 1.00 31.42 H new ATOM 0 HD11 LEU A 63 8.470 0.216 -5.312 1.00 2.22 H new ATOM 0 HD12 LEU A 63 8.357 -0.687 -3.782 1.00 2.22 H new ATOM 0 HD13 LEU A 63 8.498 1.087 -3.760 1.00 2.22 H new ATOM 0 HD21 LEU A 63 10.607 1.271 -5.987 1.00 71.02 H new ATOM 0 HD22 LEU A 63 10.731 2.157 -4.448 1.00 71.02 H new ATOM 0 HD23 LEU A 63 12.061 1.098 -4.975 1.00 71.02 H new ATOM 985 N GLN A 64 12.887 -2.382 -3.064 1.00 11.52 N ATOM 986 CA GLN A 64 13.679 -3.235 -3.944 1.00 41.43 C ATOM 987 C GLN A 64 13.510 -4.717 -3.593 1.00 54.42 C ATOM 988 O GLN A 64 13.625 -5.570 -4.470 1.00 50.22 O ATOM 989 CB GLN A 64 15.164 -2.859 -3.843 1.00 25.03 C ATOM 990 CG GLN A 64 15.526 -1.556 -4.526 1.00 73.32 C ATOM 991 CD GLN A 64 16.895 -1.016 -4.121 1.00 71.02 C ATOM 992 OE1 GLN A 64 17.893 -1.178 -4.818 1.00 70.01 O ATOM 993 NE2 GLN A 64 16.972 -0.333 -2.993 1.00 23.31 N ATOM 0 H GLN A 64 13.443 -1.778 -2.458 1.00 11.52 H new ATOM 0 HA GLN A 64 13.323 -3.079 -4.962 1.00 41.43 H new ATOM 0 HB2 GLN A 64 15.439 -2.792 -2.790 1.00 25.03 H new ATOM 0 HB3 GLN A 64 15.760 -3.661 -4.278 1.00 25.03 H new ATOM 0 HG2 GLN A 64 15.507 -1.704 -5.606 1.00 73.32 H new ATOM 0 HG3 GLN A 64 14.766 -0.810 -4.293 1.00 73.32 H new ATOM 0 HE21 GLN A 64 16.140 -0.202 -2.418 1.00 23.31 H new ATOM 0 HE22 GLN A 64 17.864 0.063 -2.697 1.00 23.31 H new ATOM 1002 N ILE A 65 13.221 -5.032 -2.329 1.00 34.44 N ATOM 1003 CA ILE A 65 12.842 -6.370 -1.888 1.00 51.12 C ATOM 1004 C ILE A 65 11.566 -6.767 -2.622 1.00 45.32 C ATOM 1005 O ILE A 65 11.569 -7.765 -3.343 1.00 4.41 O ATOM 1006 CB ILE A 65 12.784 -6.463 -0.340 1.00 61.03 C ATOM 1007 CG1 ILE A 65 14.147 -6.061 0.278 1.00 34.22 C ATOM 1008 CG2 ILE A 65 12.230 -7.804 0.146 1.00 10.12 C ATOM 1009 CD1 ILE A 65 14.162 -5.952 1.807 1.00 65.01 C ATOM 0 H ILE A 65 13.245 -4.350 -1.571 1.00 34.44 H new ATOM 0 HA ILE A 65 13.601 -7.107 -2.152 1.00 51.12 H new ATOM 0 HB ILE A 65 12.060 -5.736 0.027 1.00 61.03 H new ATOM 0 HG12 ILE A 65 14.896 -6.793 -0.026 1.00 34.22 H new ATOM 0 HG13 ILE A 65 14.450 -5.102 -0.142 1.00 34.22 H new ATOM 0 HG21 ILE A 65 12.211 -7.816 1.236 1.00 10.12 H new ATOM 0 HG22 ILE A 65 11.218 -7.940 -0.236 1.00 10.12 H new ATOM 0 HG23 ILE A 65 12.866 -8.613 -0.215 1.00 10.12 H new ATOM 0 HD11 ILE A 65 15.159 -5.666 2.142 1.00 65.01 H new ATOM 0 HD12 ILE A 65 13.442 -5.198 2.125 1.00 65.01 H new ATOM 0 HD13 ILE A 65 13.895 -6.915 2.243 1.00 65.01 H new ATOM 1021 N LEU A 66 10.510 -5.953 -2.521 1.00 4.41 N ATOM 1022 CA LEU A 66 9.242 -6.150 -3.224 1.00 63.40 C ATOM 1023 C LEU A 66 9.387 -6.255 -4.748 1.00 23.34 C ATOM 1024 O LEU A 66 8.459 -6.739 -5.397 1.00 11.43 O ATOM 1025 CB LEU A 66 8.205 -5.064 -2.883 1.00 63.42 C ATOM 1026 CG LEU A 66 7.524 -5.158 -1.508 1.00 52.13 C ATOM 1027 CD1 LEU A 66 6.901 -6.507 -1.180 1.00 42.50 C ATOM 1028 CD2 LEU A 66 8.451 -4.820 -0.362 1.00 13.14 C ATOM 0 H LEU A 66 10.515 -5.119 -1.933 1.00 4.41 H new ATOM 0 HA LEU A 66 8.883 -7.113 -2.861 1.00 63.40 H new ATOM 0 HB2 LEU A 66 8.696 -4.093 -2.953 1.00 63.42 H new ATOM 0 HB3 LEU A 66 7.429 -5.084 -3.648 1.00 63.42 H new ATOM 0 HG LEU A 66 6.729 -4.418 -1.605 1.00 52.13 H new ATOM 0 HD11 LEU A 66 6.448 -6.467 -0.189 1.00 42.50 H new ATOM 0 HD12 LEU A 66 6.136 -6.744 -1.920 1.00 42.50 H new ATOM 0 HD13 LEU A 66 7.672 -7.277 -1.196 1.00 42.50 H new ATOM 0 HD21 LEU A 66 7.910 -4.905 0.581 1.00 13.14 H new ATOM 0 HD22 LEU A 66 9.294 -5.511 -0.360 1.00 13.14 H new ATOM 0 HD23 LEU A 66 8.818 -3.800 -0.479 1.00 13.14 H new ATOM 1040 N GLN A 67 10.520 -5.850 -5.323 1.00 43.40 N ATOM 1041 CA GLN A 67 10.814 -5.916 -6.750 1.00 31.22 C ATOM 1042 C GLN A 67 11.849 -7.005 -7.074 1.00 71.03 C ATOM 1043 O GLN A 67 12.481 -6.961 -8.133 1.00 61.03 O ATOM 1044 CB GLN A 67 11.228 -4.523 -7.244 1.00 31.34 C ATOM 1045 CG GLN A 67 10.050 -3.540 -7.149 1.00 22.04 C ATOM 1046 CD GLN A 67 10.353 -2.159 -7.723 1.00 44.43 C ATOM 1047 OE1 GLN A 67 11.427 -1.881 -8.255 1.00 12.25 O ATOM 1048 NE2 GLN A 67 9.408 -1.244 -7.622 1.00 11.32 N ATOM 0 H GLN A 67 11.288 -5.451 -4.783 1.00 43.40 H new ATOM 0 HA GLN A 67 9.915 -6.212 -7.290 1.00 31.22 H new ATOM 0 HB2 GLN A 67 12.064 -4.155 -6.650 1.00 31.34 H new ATOM 0 HB3 GLN A 67 11.574 -4.586 -8.276 1.00 31.34 H new ATOM 0 HG2 GLN A 67 9.193 -3.962 -7.675 1.00 22.04 H new ATOM 0 HG3 GLN A 67 9.761 -3.433 -6.103 1.00 22.04 H new ATOM 0 HE21 GLN A 67 8.518 -1.476 -7.181 1.00 11.32 H new ATOM 0 HE22 GLN A 67 9.567 -0.304 -7.985 1.00 11.32 H new ATOM 1057 N ALA A 68 12.023 -7.986 -6.188 1.00 13.33 N ATOM 1058 CA ALA A 68 12.888 -9.146 -6.389 1.00 5.33 C ATOM 1059 C ALA A 68 12.296 -10.457 -5.869 1.00 42.10 C ATOM 1060 O ALA A 68 12.649 -11.528 -6.376 1.00 11.45 O ATOM 1061 CB ALA A 68 14.217 -8.901 -5.672 1.00 32.42 C ATOM 0 H ALA A 68 11.551 -7.994 -5.284 1.00 13.33 H new ATOM 0 HA ALA A 68 13.014 -9.257 -7.466 1.00 5.33 H new ATOM 0 HB1 ALA A 68 14.871 -9.761 -5.815 1.00 32.42 H new ATOM 0 HB2 ALA A 68 14.693 -8.010 -6.082 1.00 32.42 H new ATOM 0 HB3 ALA A 68 14.035 -8.757 -4.607 1.00 32.42 H new ATOM 1067 N LEU A 69 11.481 -10.403 -4.818 1.00 73.42 N ATOM 1068 CA LEU A 69 11.098 -11.562 -4.015 1.00 63.31 C ATOM 1069 C LEU A 69 9.794 -12.235 -4.470 1.00 2.35 C ATOM 1070 O LEU A 69 9.346 -12.041 -5.599 1.00 63.30 O ATOM 1071 CB LEU A 69 11.134 -11.204 -2.532 1.00 65.24 C ATOM 1072 CG LEU A 69 10.071 -10.223 -2.021 1.00 74.20 C ATOM 1073 CD1 LEU A 69 9.043 -9.624 -2.994 1.00 12.55 C ATOM 1074 CD2 LEU A 69 9.325 -10.822 -0.835 1.00 41.54 C ATOM 0 H LEU A 69 11.059 -9.533 -4.494 1.00 73.42 H new ATOM 0 HA LEU A 69 11.842 -12.341 -4.182 1.00 63.31 H new ATOM 0 HB2 LEU A 69 11.045 -12.127 -1.959 1.00 65.24 H new ATOM 0 HB3 LEU A 69 12.115 -10.785 -2.310 1.00 65.24 H new ATOM 0 HG LEU A 69 10.693 -9.364 -1.770 1.00 74.20 H new ATOM 0 HD11 LEU A 69 8.375 -8.955 -2.451 1.00 12.55 H new ATOM 0 HD12 LEU A 69 9.562 -9.065 -3.773 1.00 12.55 H new ATOM 0 HD13 LEU A 69 8.462 -10.426 -3.449 1.00 12.55 H new ATOM 0 HD21 LEU A 69 8.574 -10.115 -0.483 1.00 41.54 H new ATOM 0 HD22 LEU A 69 8.837 -11.747 -1.142 1.00 41.54 H new ATOM 0 HD23 LEU A 69 10.030 -11.033 -0.031 1.00 41.54 H new ATOM 1086 N HIS A 70 9.205 -13.042 -3.586 1.00 10.34 N ATOM 1087 CA HIS A 70 7.934 -13.737 -3.745 1.00 21.11 C ATOM 1088 C HIS A 70 6.711 -12.810 -3.555 1.00 53.40 C ATOM 1089 O HIS A 70 6.784 -11.815 -2.838 1.00 24.13 O ATOM 1090 CB HIS A 70 7.914 -14.915 -2.758 1.00 21.31 C ATOM 1091 CG HIS A 70 8.452 -14.614 -1.380 1.00 73.10 C ATOM 1092 ND1 HIS A 70 9.762 -14.745 -0.976 1.00 2.53 N ATOM 1093 CD2 HIS A 70 7.717 -14.241 -0.291 1.00 5.22 C ATOM 1094 CE1 HIS A 70 9.806 -14.509 0.342 1.00 72.03 C ATOM 1095 NE2 HIS A 70 8.590 -14.176 0.803 1.00 72.41 N ATOM 0 H HIS A 70 9.634 -13.238 -2.682 1.00 10.34 H new ATOM 0 HA HIS A 70 7.854 -14.100 -4.770 1.00 21.11 H new ATOM 0 HB2 HIS A 70 6.887 -15.267 -2.660 1.00 21.31 H new ATOM 0 HB3 HIS A 70 8.493 -15.734 -3.185 1.00 21.31 H new ATOM 0 HD1 HIS A 70 10.555 -14.979 -1.573 1.00 2.53 H new ATOM 0 HD2 HIS A 70 6.657 -14.034 -0.276 1.00 5.22 H new ATOM 0 HE1 HIS A 70 10.696 -14.577 0.949 1.00 72.03 H new ATOM 1103 N PRO A 71 5.570 -13.110 -4.192 1.00 1.24 N ATOM 1104 CA PRO A 71 4.459 -12.176 -4.342 1.00 24.42 C ATOM 1105 C PRO A 71 3.629 -12.002 -3.057 1.00 12.35 C ATOM 1106 O PRO A 71 3.651 -12.868 -2.179 1.00 63.31 O ATOM 1107 CB PRO A 71 3.612 -12.757 -5.474 1.00 72.13 C ATOM 1108 CG PRO A 71 3.867 -14.258 -5.368 1.00 52.14 C ATOM 1109 CD PRO A 71 5.336 -14.310 -4.960 1.00 52.11 C ATOM 0 HA PRO A 71 4.826 -11.173 -4.560 1.00 24.42 H new ATOM 0 HB2 PRO A 71 2.556 -12.519 -5.349 1.00 72.13 H new ATOM 0 HB3 PRO A 71 3.915 -12.365 -6.445 1.00 72.13 H new ATOM 0 HG2 PRO A 71 3.222 -14.729 -4.626 1.00 52.14 H new ATOM 0 HG3 PRO A 71 3.689 -14.769 -6.315 1.00 52.14 H new ATOM 0 HD2 PRO A 71 5.547 -15.201 -4.369 1.00 52.11 H new ATOM 0 HD3 PRO A 71 5.985 -14.348 -5.835 1.00 52.11 H new ATOM 1117 N PRO A 72 2.850 -10.908 -2.960 1.00 13.44 N ATOM 1118 CA PRO A 72 2.140 -10.551 -1.743 1.00 31.33 C ATOM 1119 C PRO A 72 0.928 -11.448 -1.471 1.00 53.53 C ATOM 1120 O PRO A 72 0.155 -11.775 -2.378 1.00 64.21 O ATOM 1121 CB PRO A 72 1.703 -9.095 -1.931 1.00 3.54 C ATOM 1122 CG PRO A 72 1.773 -8.816 -3.422 1.00 31.32 C ATOM 1123 CD PRO A 72 2.724 -9.868 -3.972 1.00 13.33 C ATOM 0 HA PRO A 72 2.790 -10.683 -0.878 1.00 31.33 H new ATOM 0 HB2 PRO A 72 0.692 -8.941 -1.554 1.00 3.54 H new ATOM 0 HB3 PRO A 72 2.356 -8.419 -1.378 1.00 3.54 H new ATOM 0 HG2 PRO A 72 0.789 -8.892 -3.885 1.00 31.32 H new ATOM 0 HG3 PRO A 72 2.141 -7.809 -3.619 1.00 31.32 H new ATOM 0 HD2 PRO A 72 2.341 -10.283 -4.904 1.00 13.33 H new ATOM 0 HD3 PRO A 72 3.696 -9.429 -4.195 1.00 13.33 H new ATOM 1131 N LEU A 73 0.680 -11.706 -0.186 1.00 13.31 N ATOM 1132 CA LEU A 73 -0.520 -12.331 0.362 1.00 1.25 C ATOM 1133 C LEU A 73 -1.740 -11.486 0.001 1.00 62.21 C ATOM 1134 O LEU A 73 -1.814 -10.298 0.315 1.00 33.01 O ATOM 1135 CB LEU A 73 -0.298 -12.609 1.860 1.00 5.21 C ATOM 1136 CG LEU A 73 -1.340 -13.534 2.527 1.00 21.04 C ATOM 1137 CD1 LEU A 73 -2.507 -12.686 2.978 1.00 71.00 C ATOM 1138 CD2 LEU A 73 -1.860 -14.692 1.664 1.00 25.34 C ATOM 0 H LEU A 73 1.354 -11.469 0.542 1.00 13.31 H new ATOM 0 HA LEU A 73 -0.724 -13.307 -0.078 1.00 1.25 H new ATOM 0 HB2 LEU A 73 0.690 -13.053 1.987 1.00 5.21 H new ATOM 0 HB3 LEU A 73 -0.290 -11.657 2.391 1.00 5.21 H new ATOM 0 HG LEU A 73 -0.821 -14.017 3.355 1.00 21.04 H new ATOM 0 HD11 LEU A 73 -3.256 -13.320 3.452 1.00 71.00 H new ATOM 0 HD12 LEU A 73 -2.160 -11.939 3.692 1.00 71.00 H new ATOM 0 HD13 LEU A 73 -2.948 -12.186 2.116 1.00 71.00 H new ATOM 0 HD21 LEU A 73 -2.585 -15.274 2.234 1.00 25.34 H new ATOM 0 HD22 LEU A 73 -2.338 -14.293 0.769 1.00 25.34 H new ATOM 0 HD23 LEU A 73 -1.027 -15.333 1.375 1.00 25.34 H new ATOM 1150 N THR A 74 -2.666 -12.070 -0.754 1.00 73.32 N ATOM 1151 CA THR A 74 -3.981 -11.498 -1.036 1.00 13.11 C ATOM 1152 C THR A 74 -4.879 -11.742 0.174 1.00 34.25 C ATOM 1153 O THR A 74 -4.750 -12.763 0.845 1.00 70.23 O ATOM 1154 CB THR A 74 -4.583 -12.112 -2.313 1.00 13.31 C ATOM 1155 OG1 THR A 74 -5.977 -11.910 -2.374 1.00 33.15 O ATOM 1156 CG2 THR A 74 -4.372 -13.608 -2.484 1.00 10.41 C ATOM 0 H THR A 74 -2.520 -12.977 -1.198 1.00 73.32 H new ATOM 0 HA THR A 74 -3.891 -10.426 -1.212 1.00 13.11 H new ATOM 0 HB THR A 74 -4.044 -11.593 -3.105 1.00 13.31 H new ATOM 0 HG1 THR A 74 -6.180 -10.972 -2.178 1.00 33.15 H new ATOM 0 HG21 THR A 74 -4.835 -13.937 -3.414 1.00 10.41 H new ATOM 0 HG22 THR A 74 -3.304 -13.824 -2.514 1.00 10.41 H new ATOM 0 HG23 THR A 74 -4.825 -14.138 -1.646 1.00 10.41 H new ATOM 1164 N ILE A 75 -5.842 -10.847 0.408 1.00 5.52 N ATOM 1165 CA ILE A 75 -6.744 -10.895 1.556 1.00 33.12 C ATOM 1166 C ILE A 75 -8.215 -10.862 1.101 1.00 30.15 C ATOM 1167 O ILE A 75 -9.101 -10.560 1.898 1.00 41.12 O ATOM 1168 CB ILE A 75 -6.409 -9.768 2.580 1.00 23.05 C ATOM 1169 CG1 ILE A 75 -4.958 -9.224 2.587 1.00 51.44 C ATOM 1170 CG2 ILE A 75 -6.703 -10.305 3.989 1.00 45.41 C ATOM 1171 CD1 ILE A 75 -4.636 -8.161 1.530 1.00 70.10 C ATOM 0 H ILE A 75 -6.018 -10.054 -0.209 1.00 5.52 H new ATOM 0 HA ILE A 75 -6.594 -11.842 2.074 1.00 33.12 H new ATOM 0 HB ILE A 75 -7.028 -8.926 2.271 1.00 23.05 H new ATOM 0 HG12 ILE A 75 -4.753 -8.803 3.571 1.00 51.44 H new ATOM 0 HG13 ILE A 75 -4.275 -10.063 2.450 1.00 51.44 H new ATOM 0 HG21 ILE A 75 -6.477 -9.535 4.726 1.00 45.41 H new ATOM 0 HG22 ILE A 75 -7.756 -10.579 4.062 1.00 45.41 H new ATOM 0 HG23 ILE A 75 -6.086 -11.183 4.180 1.00 45.41 H new ATOM 0 HD11 ILE A 75 -3.595 -7.854 1.628 1.00 70.10 H new ATOM 0 HD12 ILE A 75 -4.800 -8.576 0.535 1.00 70.10 H new ATOM 0 HD13 ILE A 75 -5.284 -7.297 1.674 1.00 70.10 H new ATOM 1183 N ASP A 76 -8.481 -11.087 -0.190 1.00 42.10 N ATOM 1184 CA ASP A 76 -9.829 -11.044 -0.796 1.00 65.10 C ATOM 1185 C ASP A 76 -9.771 -11.486 -2.270 1.00 63.32 C ATOM 1186 O ASP A 76 -10.391 -10.881 -3.147 1.00 11.22 O ATOM 1187 CB ASP A 76 -10.415 -9.622 -0.693 1.00 4.13 C ATOM 1188 CG ASP A 76 -11.924 -9.567 -0.482 1.00 30.43 C ATOM 1189 OD1 ASP A 76 -12.385 -9.985 0.602 1.00 63.02 O ATOM 1190 OD2 ASP A 76 -12.607 -8.836 -1.236 1.00 24.45 O ATOM 0 H ASP A 76 -7.750 -11.310 -0.865 1.00 42.10 H new ATOM 0 HA ASP A 76 -10.475 -11.732 -0.251 1.00 65.10 H new ATOM 0 HB2 ASP A 76 -9.928 -9.102 0.132 1.00 4.13 H new ATOM 0 HB3 ASP A 76 -10.169 -9.076 -1.604 1.00 4.13 H new ATOM 1195 N GLY A 77 -8.889 -12.435 -2.600 1.00 33.34 N ATOM 1196 CA GLY A 77 -8.663 -12.858 -3.980 1.00 3.24 C ATOM 1197 C GLY A 77 -8.107 -11.766 -4.909 1.00 12.31 C ATOM 1198 O GLY A 77 -8.122 -11.962 -6.124 1.00 11.24 O ATOM 0 H GLY A 77 -8.314 -12.929 -1.917 1.00 33.34 H new ATOM 0 HA2 GLY A 77 -7.971 -13.700 -3.978 1.00 3.24 H new ATOM 0 HA3 GLY A 77 -9.605 -13.221 -4.392 1.00 3.24 H new ATOM 1202 N LYS A 78 -7.590 -10.642 -4.385 1.00 32.24 N ATOM 1203 CA LYS A 78 -6.887 -9.589 -5.111 1.00 64.31 C ATOM 1204 C LYS A 78 -5.414 -9.581 -4.717 1.00 34.13 C ATOM 1205 O LYS A 78 -5.104 -9.250 -3.572 1.00 34.34 O ATOM 1206 CB LYS A 78 -7.520 -8.213 -4.847 1.00 54.11 C ATOM 1207 CG LYS A 78 -8.248 -7.967 -3.516 1.00 43.42 C ATOM 1208 CD LYS A 78 -7.417 -7.930 -2.221 1.00 61.13 C ATOM 1209 CE LYS A 78 -8.191 -7.112 -1.162 1.00 30.13 C ATOM 1210 NZ LYS A 78 -7.860 -7.365 0.261 1.00 21.45 N ATOM 0 H LYS A 78 -7.659 -10.440 -3.388 1.00 32.24 H new ATOM 0 HA LYS A 78 -6.971 -9.795 -6.178 1.00 64.31 H new ATOM 0 HB2 LYS A 78 -6.730 -7.467 -4.932 1.00 54.11 H new ATOM 0 HB3 LYS A 78 -8.230 -8.019 -5.651 1.00 54.11 H new ATOM 0 HG2 LYS A 78 -8.777 -7.017 -3.598 1.00 43.42 H new ATOM 0 HG3 LYS A 78 -9.004 -8.744 -3.403 1.00 43.42 H new ATOM 0 HD2 LYS A 78 -7.235 -8.942 -1.859 1.00 61.13 H new ATOM 0 HD3 LYS A 78 -6.443 -7.479 -2.409 1.00 61.13 H new ATOM 0 HE2 LYS A 78 -8.026 -6.054 -1.365 1.00 30.13 H new ATOM 0 HE3 LYS A 78 -9.256 -7.301 -1.300 1.00 30.13 H new ATOM 0 HZ1 LYS A 78 -8.565 -6.901 0.869 1.00 21.45 H new ATOM 0 HZ2 LYS A 78 -7.866 -8.389 0.442 1.00 21.45 H new ATOM 0 HZ3 LYS A 78 -6.916 -6.982 0.471 1.00 21.45 H new ATOM 1224 N THR A 79 -4.509 -9.960 -5.618 1.00 42.14 N ATOM 1225 CA THR A 79 -3.085 -9.813 -5.348 1.00 1.55 C ATOM 1226 C THR A 79 -2.702 -8.334 -5.473 1.00 65.24 C ATOM 1227 O THR A 79 -2.901 -7.734 -6.529 1.00 44.42 O ATOM 1228 CB THR A 79 -2.221 -10.675 -6.278 1.00 3.35 C ATOM 1229 OG1 THR A 79 -2.890 -11.843 -6.736 1.00 42.13 O ATOM 1230 CG2 THR A 79 -0.957 -11.081 -5.516 1.00 3.52 C ATOM 0 H THR A 79 -4.734 -10.365 -6.527 1.00 42.14 H new ATOM 0 HA THR A 79 -2.894 -10.164 -4.334 1.00 1.55 H new ATOM 0 HB THR A 79 -1.986 -10.082 -7.162 1.00 3.35 H new ATOM 0 HG1 THR A 79 -2.294 -12.352 -7.325 1.00 42.13 H new ATOM 0 HG21 THR A 79 -0.326 -11.696 -6.159 1.00 3.52 H new ATOM 0 HG22 THR A 79 -0.409 -10.187 -5.218 1.00 3.52 H new ATOM 0 HG23 THR A 79 -1.234 -11.650 -4.628 1.00 3.52 H new ATOM 1238 N ILE A 80 -2.198 -7.726 -4.406 1.00 21.01 N ATOM 1239 CA ILE A 80 -1.851 -6.312 -4.372 1.00 5.44 C ATOM 1240 C ILE A 80 -0.628 -6.054 -5.271 1.00 72.24 C ATOM 1241 O ILE A 80 0.239 -6.920 -5.423 1.00 34.04 O ATOM 1242 CB ILE A 80 -1.628 -5.904 -2.896 1.00 1.31 C ATOM 1243 CG1 ILE A 80 -2.828 -6.245 -1.976 1.00 42.51 C ATOM 1244 CG2 ILE A 80 -1.324 -4.408 -2.754 1.00 71.30 C ATOM 1245 CD1 ILE A 80 -4.195 -5.814 -2.518 1.00 65.42 C ATOM 0 H ILE A 80 -2.016 -8.210 -3.527 1.00 21.01 H new ATOM 0 HA ILE A 80 -2.655 -5.692 -4.770 1.00 5.44 H new ATOM 0 HB ILE A 80 -0.768 -6.492 -2.576 1.00 1.31 H new ATOM 0 HG12 ILE A 80 -2.843 -7.322 -1.806 1.00 42.51 H new ATOM 0 HG13 ILE A 80 -2.671 -5.771 -1.007 1.00 42.51 H new ATOM 0 HG21 ILE A 80 -1.174 -4.165 -1.702 1.00 71.30 H new ATOM 0 HG22 ILE A 80 -0.421 -4.165 -3.314 1.00 71.30 H new ATOM 0 HG23 ILE A 80 -2.160 -3.828 -3.145 1.00 71.30 H new ATOM 0 HD11 ILE A 80 -4.973 -6.094 -1.808 1.00 65.42 H new ATOM 0 HD12 ILE A 80 -4.206 -4.733 -2.661 1.00 65.42 H new ATOM 0 HD13 ILE A 80 -4.380 -6.308 -3.472 1.00 65.42 H new ATOM 1257 N ASN A 81 -0.527 -4.849 -5.840 1.00 50.51 N ATOM 1258 CA ASN A 81 0.632 -4.406 -6.626 1.00 25.03 C ATOM 1259 C ASN A 81 1.417 -3.310 -5.921 1.00 2.25 C ATOM 1260 O ASN A 81 0.944 -2.782 -4.918 1.00 2.41 O ATOM 1261 CB ASN A 81 0.208 -3.932 -8.019 1.00 45.51 C ATOM 1262 CG ASN A 81 0.734 -4.907 -9.046 1.00 34.44 C ATOM 1263 OD1 ASN A 81 1.900 -4.840 -9.403 1.00 23.24 O ATOM 1264 ND2 ASN A 81 -0.087 -5.840 -9.477 1.00 61.43 N ATOM 0 H ASN A 81 -1.259 -4.142 -5.767 1.00 50.51 H new ATOM 0 HA ASN A 81 1.286 -5.272 -6.732 1.00 25.03 H new ATOM 0 HB2 ASN A 81 -0.878 -3.868 -8.081 1.00 45.51 H new ATOM 0 HB3 ASN A 81 0.598 -2.933 -8.213 1.00 45.51 H new ATOM 0 HD21 ASN A 81 0.243 -6.545 -10.136 1.00 61.43 H new ATOM 0 HD22 ASN A 81 -1.054 -5.858 -9.152 1.00 61.43 H new ATOM 1271 N VAL A 82 2.576 -2.948 -6.478 1.00 31.01 N ATOM 1272 CA VAL A 82 3.541 -2.009 -5.913 1.00 4.35 C ATOM 1273 C VAL A 82 3.827 -0.936 -6.972 1.00 3.42 C ATOM 1274 O VAL A 82 3.726 -1.203 -8.167 1.00 50.51 O ATOM 1275 CB VAL A 82 4.832 -2.778 -5.517 1.00 14.31 C ATOM 1276 CG1 VAL A 82 5.741 -1.949 -4.599 1.00 50.30 C ATOM 1277 CG2 VAL A 82 4.535 -4.115 -4.809 1.00 23.32 C ATOM 0 H VAL A 82 2.879 -3.321 -7.378 1.00 31.01 H new ATOM 0 HA VAL A 82 3.152 -1.530 -5.015 1.00 4.35 H new ATOM 0 HB VAL A 82 5.339 -2.975 -6.461 1.00 14.31 H new ATOM 0 HG11 VAL A 82 6.630 -2.527 -4.349 1.00 50.30 H new ATOM 0 HG12 VAL A 82 6.036 -1.033 -5.110 1.00 50.30 H new ATOM 0 HG13 VAL A 82 5.203 -1.697 -3.685 1.00 50.30 H new ATOM 0 HG21 VAL A 82 5.473 -4.609 -4.556 1.00 23.32 H new ATOM 0 HG22 VAL A 82 3.967 -3.926 -3.898 1.00 23.32 H new ATOM 0 HG23 VAL A 82 3.955 -4.757 -5.472 1.00 23.32 H new ATOM 1287 N GLU A 83 4.202 0.269 -6.565 1.00 42.52 N ATOM 1288 CA GLU A 83 4.676 1.375 -7.377 1.00 52.34 C ATOM 1289 C GLU A 83 5.525 2.264 -6.481 1.00 3.24 C ATOM 1290 O GLU A 83 5.544 2.079 -5.267 1.00 1.34 O ATOM 1291 CB GLU A 83 3.485 2.183 -7.909 1.00 71.42 C ATOM 1292 CG GLU A 83 3.259 1.952 -9.396 1.00 23.32 C ATOM 1293 CD GLU A 83 2.029 2.721 -9.867 1.00 71.13 C ATOM 1294 OE1 GLU A 83 0.915 2.406 -9.402 1.00 14.31 O ATOM 1295 OE2 GLU A 83 2.153 3.619 -10.735 1.00 64.20 O ATOM 0 H GLU A 83 4.179 0.516 -5.575 1.00 42.52 H new ATOM 0 HA GLU A 83 5.252 1.006 -8.225 1.00 52.34 H new ATOM 0 HB2 GLU A 83 2.585 1.908 -7.358 1.00 71.42 H new ATOM 0 HB3 GLU A 83 3.657 3.244 -7.729 1.00 71.42 H new ATOM 0 HG2 GLU A 83 4.135 2.273 -9.959 1.00 23.32 H new ATOM 0 HG3 GLU A 83 3.128 0.888 -9.590 1.00 23.32 H new ATOM 1302 N PHE A 84 6.185 3.264 -7.059 1.00 61.01 N ATOM 1303 CA PHE A 84 7.075 4.163 -6.333 1.00 34.05 C ATOM 1304 C PHE A 84 6.898 5.581 -6.863 1.00 14.53 C ATOM 1305 O PHE A 84 7.512 5.965 -7.862 1.00 65.40 O ATOM 1306 CB PHE A 84 8.516 3.643 -6.443 1.00 43.33 C ATOM 1307 CG PHE A 84 9.554 4.284 -5.533 1.00 70.21 C ATOM 1308 CD1 PHE A 84 9.305 4.457 -4.154 1.00 64.04 C ATOM 1309 CD2 PHE A 84 10.843 4.548 -6.037 1.00 50.40 C ATOM 1310 CE1 PHE A 84 10.339 4.873 -3.294 1.00 73.42 C ATOM 1311 CE2 PHE A 84 11.874 4.966 -5.178 1.00 42.22 C ATOM 1312 CZ PHE A 84 11.623 5.129 -3.805 1.00 30.23 C ATOM 0 H PHE A 84 6.116 3.474 -8.055 1.00 61.01 H new ATOM 0 HA PHE A 84 6.830 4.191 -5.271 1.00 34.05 H new ATOM 0 HB2 PHE A 84 8.506 2.572 -6.243 1.00 43.33 H new ATOM 0 HB3 PHE A 84 8.844 3.771 -7.474 1.00 43.33 H new ATOM 0 HD1 PHE A 84 8.318 4.270 -3.758 1.00 64.04 H new ATOM 0 HD2 PHE A 84 11.040 4.428 -7.092 1.00 50.40 H new ATOM 0 HE1 PHE A 84 10.145 4.996 -2.239 1.00 73.42 H new ATOM 0 HE2 PHE A 84 12.860 5.162 -5.573 1.00 42.22 H new ATOM 0 HZ PHE A 84 12.415 5.450 -3.144 1.00 30.23 H new ATOM 1322 N ALA A 85 6.016 6.357 -6.232 1.00 65.20 N ATOM 1323 CA ALA A 85 5.895 7.791 -6.446 1.00 10.25 C ATOM 1324 C ALA A 85 6.951 8.492 -5.599 1.00 45.32 C ATOM 1325 O ALA A 85 6.661 9.172 -4.615 1.00 5.53 O ATOM 1326 CB ALA A 85 4.481 8.257 -6.114 1.00 31.01 C ATOM 0 H ALA A 85 5.355 5.995 -5.545 1.00 65.20 H new ATOM 0 HA ALA A 85 6.067 8.042 -7.493 1.00 10.25 H new ATOM 0 HB1 ALA A 85 4.404 9.332 -6.278 1.00 31.01 H new ATOM 0 HB2 ALA A 85 3.767 7.740 -6.755 1.00 31.01 H new ATOM 0 HB3 ALA A 85 4.260 8.033 -5.071 1.00 31.01 H new ATOM 1332 N LYS A 86 8.206 8.306 -5.988 1.00 33.11 N ATOM 1333 CA LYS A 86 9.327 9.077 -5.499 1.00 52.52 C ATOM 1334 C LYS A 86 9.228 10.454 -6.156 1.00 32.35 C ATOM 1335 O LYS A 86 9.817 10.675 -7.210 1.00 2.33 O ATOM 1336 CB LYS A 86 10.589 8.294 -5.879 1.00 14.21 C ATOM 1337 CG LYS A 86 11.908 8.940 -5.464 1.00 33.11 C ATOM 1338 CD LYS A 86 12.164 8.938 -3.953 1.00 4.35 C ATOM 1339 CE LYS A 86 13.668 9.129 -3.710 1.00 72.30 C ATOM 1340 NZ LYS A 86 14.078 10.540 -3.793 1.00 1.34 N ATOM 0 H LYS A 86 8.472 7.595 -6.670 1.00 33.11 H new ATOM 0 HA LYS A 86 9.345 9.229 -4.420 1.00 52.52 H new ATOM 0 HB2 LYS A 86 10.531 7.303 -5.428 1.00 14.21 H new ATOM 0 HB3 LYS A 86 10.597 8.153 -6.960 1.00 14.21 H new ATOM 0 HG2 LYS A 86 12.726 8.418 -5.960 1.00 33.11 H new ATOM 0 HG3 LYS A 86 11.923 9.969 -5.822 1.00 33.11 H new ATOM 0 HD2 LYS A 86 11.599 9.737 -3.473 1.00 4.35 H new ATOM 0 HD3 LYS A 86 11.826 8.000 -3.513 1.00 4.35 H new ATOM 0 HE2 LYS A 86 13.927 8.736 -2.727 1.00 72.30 H new ATOM 0 HE3 LYS A 86 14.228 8.548 -4.443 1.00 72.30 H new ATOM 0 HZ1 LYS A 86 15.101 10.615 -3.622 1.00 1.34 H new ATOM 0 HZ2 LYS A 86 13.857 10.911 -4.739 1.00 1.34 H new ATOM 0 HZ3 LYS A 86 13.566 11.093 -3.077 1.00 1.34 H new