USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 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 25 GLN : amide:sc= -1.61 K(o=-1.9,f=-3!) USER MOD Set 1.2: A 37 MET CE :methyl -154:sc= -0.332 (180deg=-1.52) USER MOD Single : A 7 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0999) USER MOD Single : A 12 SER OG : rot 80:sc= 0.502 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 65:sc= 1.14 USER MOD Single : A 45 MET CE :methyl -125:sc= -10.9! (180deg=-16.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.28) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -1.26 USER MOD Single : A 54 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.017) USER MOD Single : A 55 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.21) USER MOD Single : A 61 GLN : amide:sc= -0.509 K(o=-0.51,f=-6.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.3!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 75 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.3!) USER MOD Single : A 76 THR OG1 : rot 81:sc= 0.0782 USER MOD Single : A 79 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.7!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -98:sc= -3.81! USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0343) USER MOD Single : A 91 SER OG : rot 87:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -7.349 19.387 -5.240 1.00 0.00 N ATOM 64 CA ALA A 6 -6.175 19.269 -4.384 1.00 0.00 C ATOM 65 C ALA A 6 -6.135 17.902 -3.714 1.00 0.00 C ATOM 66 O ALA A 6 -5.094 17.241 -3.677 1.00 0.00 O ATOM 67 CB ALA A 6 -6.169 20.375 -3.339 1.00 0.00 C ATOM 0 HA ALA A 6 -5.284 19.372 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.287 20.274 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.150 21.345 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.066 20.300 -2.724 1.00 0.00 H new ATOM 73 N ASN A 7 -7.281 17.475 -3.194 1.00 0.00 N ATOM 74 CA ASN A 7 -7.385 16.181 -2.535 1.00 0.00 C ATOM 75 C ASN A 7 -7.091 15.058 -3.522 1.00 0.00 C ATOM 76 O ASN A 7 -6.279 14.174 -3.249 1.00 0.00 O ATOM 77 CB ASN A 7 -8.781 16.000 -1.934 1.00 0.00 C ATOM 78 CG ASN A 7 -8.806 16.257 -0.440 1.00 0.00 C ATOM 79 OD1 ASN A 7 -9.065 15.353 0.354 1.00 0.00 O ATOM 80 ND2 ASN A 7 -8.538 17.498 -0.050 1.00 0.00 N ATOM 0 H ASN A 7 -8.151 18.008 -3.217 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.650 16.143 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.477 16.678 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.130 14.986 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.542 17.733 0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.328 18.216 -0.743 1.00 0.00 H new ATOM 87 N LYS A 8 -7.753 15.103 -4.674 1.00 0.00 N ATOM 88 CA LYS A 8 -7.558 14.093 -5.703 1.00 0.00 C ATOM 89 C LYS A 8 -6.111 14.073 -6.177 1.00 0.00 C ATOM 90 O LYS A 8 -5.599 13.033 -6.591 1.00 0.00 O ATOM 91 CB LYS A 8 -8.490 14.356 -6.888 1.00 0.00 C ATOM 92 CG LYS A 8 -8.418 13.287 -7.969 1.00 0.00 C ATOM 93 CD LYS A 8 -7.897 13.851 -9.282 1.00 0.00 C ATOM 94 CE LYS A 8 -9.004 14.524 -10.078 1.00 0.00 C ATOM 95 NZ LYS A 8 -8.958 16.008 -9.952 1.00 0.00 N ATOM 0 H LYS A 8 -8.428 15.828 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.794 13.120 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.515 14.425 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.242 15.322 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.768 12.477 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.408 12.859 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.103 14.570 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.457 13.049 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.916 14.246 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.972 14.160 -9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.615 16.435 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.235 16.283 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.992 16.343 -10.144 1.00 0.00 H new ATOM 109 N ASP A 9 -5.452 15.227 -6.116 1.00 0.00 N ATOM 110 CA ASP A 9 -4.063 15.326 -6.544 1.00 0.00 C ATOM 111 C ASP A 9 -3.153 14.578 -5.579 1.00 0.00 C ATOM 112 O ASP A 9 -2.282 13.813 -6.002 1.00 0.00 O ATOM 113 CB ASP A 9 -3.636 16.791 -6.640 1.00 0.00 C ATOM 114 CG ASP A 9 -2.296 16.960 -7.329 1.00 0.00 C ATOM 115 OD1 ASP A 9 -1.316 16.326 -6.885 1.00 0.00 O ATOM 116 OD2 ASP A 9 -2.226 17.726 -8.312 1.00 0.00 O ATOM 0 H ASP A 9 -5.855 16.100 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.976 14.871 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.395 17.353 -7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.582 17.217 -5.638 1.00 0.00 H new ATOM 121 N LEU A 10 -3.359 14.786 -4.281 1.00 0.00 N ATOM 122 CA LEU A 10 -2.550 14.110 -3.276 1.00 0.00 C ATOM 123 C LEU A 10 -2.720 12.604 -3.408 1.00 0.00 C ATOM 124 O LEU A 10 -1.744 11.851 -3.399 1.00 0.00 O ATOM 125 CB LEU A 10 -2.953 14.563 -1.872 1.00 0.00 C ATOM 126 CG LEU A 10 -2.043 14.069 -0.745 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.056 15.154 -0.342 1.00 0.00 C ATOM 128 CD2 LEU A 10 -2.869 13.626 0.454 1.00 0.00 C ATOM 0 H LEU A 10 -4.072 15.411 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.503 14.368 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.974 15.653 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.969 14.221 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.480 13.210 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.417 14.785 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.441 15.424 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.602 16.032 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.205 13.278 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.459 14.466 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.535 12.816 0.157 1.00 0.00 H new ATOM 140 N ILE A 11 -3.967 12.173 -3.561 1.00 0.00 N ATOM 141 CA ILE A 11 -4.255 10.759 -3.727 1.00 0.00 C ATOM 142 C ILE A 11 -3.528 10.235 -4.957 1.00 0.00 C ATOM 143 O ILE A 11 -2.785 9.256 -4.880 1.00 0.00 O ATOM 144 CB ILE A 11 -5.769 10.500 -3.873 1.00 0.00 C ATOM 145 CG1 ILE A 11 -6.527 11.106 -2.690 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.048 9.008 -3.978 1.00 0.00 C ATOM 147 CD1 ILE A 11 -7.957 11.481 -3.017 1.00 0.00 C ATOM 0 H ILE A 11 -4.787 12.780 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.910 10.237 -2.835 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.116 10.978 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.526 10.394 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.997 11.994 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.121 8.845 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.534 8.602 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.689 8.507 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.433 11.904 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.965 12.217 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.503 10.592 -3.333 1.00 0.00 H new ATOM 159 N SER A 12 -3.745 10.894 -6.096 1.00 0.00 N ATOM 160 CA SER A 12 -3.107 10.495 -7.343 1.00 0.00 C ATOM 161 C SER A 12 -1.601 10.340 -7.165 1.00 0.00 C ATOM 162 O SER A 12 -0.981 9.495 -7.802 1.00 0.00 O ATOM 163 CB SER A 12 -3.400 11.522 -8.440 1.00 0.00 C ATOM 164 OG SER A 12 -4.748 11.440 -8.869 1.00 0.00 O ATOM 0 H SER A 12 -4.358 11.705 -6.177 1.00 0.00 H new ATOM 0 HA SER A 12 -3.518 9.529 -7.637 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.194 12.525 -8.067 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.735 11.354 -9.287 1.00 0.00 H new ATOM 0 HG SER A 12 -5.323 11.913 -8.232 1.00 0.00 H new ATOM 170 N ALA A 13 -1.015 11.157 -6.295 1.00 0.00 N ATOM 171 CA ALA A 13 0.420 11.082 -6.047 1.00 0.00 C ATOM 172 C ALA A 13 0.768 9.798 -5.306 1.00 0.00 C ATOM 173 O ALA A 13 1.715 9.099 -5.665 1.00 0.00 O ATOM 174 CB ALA A 13 0.896 12.300 -5.270 1.00 0.00 C ATOM 0 H ALA A 13 -1.505 11.871 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 13 0.934 11.072 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.969 12.224 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.685 13.203 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.376 12.348 -4.313 1.00 0.00 H new ATOM 180 N GLY A 14 -0.037 9.467 -4.304 1.00 0.00 N ATOM 181 CA GLY A 14 0.174 8.233 -3.567 1.00 0.00 C ATOM 182 C GLY A 14 -0.136 7.038 -4.448 1.00 0.00 C ATOM 183 O GLY A 14 0.429 5.955 -4.289 1.00 0.00 O ATOM 0 H GLY A 14 -0.829 10.027 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.206 8.180 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.462 8.216 -2.682 1.00 0.00 H new ATOM 187 N LEU A 15 -1.035 7.271 -5.399 1.00 0.00 N ATOM 188 CA LEU A 15 -1.438 6.247 -6.350 1.00 0.00 C ATOM 189 C LEU A 15 -0.309 5.978 -7.334 1.00 0.00 C ATOM 190 O LEU A 15 0.198 4.861 -7.420 1.00 0.00 O ATOM 191 CB LEU A 15 -2.708 6.666 -7.095 1.00 0.00 C ATOM 192 CG LEU A 15 -3.984 5.949 -6.649 1.00 0.00 C ATOM 193 CD1 LEU A 15 -5.096 6.950 -6.371 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.424 4.937 -7.699 1.00 0.00 C ATOM 0 H LEU A 15 -1.500 8.169 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.655 5.330 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.849 7.739 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.562 6.488 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.769 5.414 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.994 6.418 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.782 7.633 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.310 7.517 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.333 4.437 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.618 5.451 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.636 4.198 -7.845 1.00 0.00 H new ATOM 206 N LYS A 16 0.078 7.006 -8.075 1.00 0.00 N ATOM 207 CA LYS A 16 1.148 6.881 -9.056 1.00 0.00 C ATOM 208 C LYS A 16 2.428 6.385 -8.395 1.00 0.00 C ATOM 209 O LYS A 16 3.223 5.675 -9.011 1.00 0.00 O ATOM 210 CB LYS A 16 1.398 8.224 -9.746 1.00 0.00 C ATOM 211 CG LYS A 16 0.639 8.387 -11.054 1.00 0.00 C ATOM 212 CD LYS A 16 -0.324 9.564 -11.002 1.00 0.00 C ATOM 213 CE LYS A 16 0.232 10.776 -11.733 1.00 0.00 C ATOM 214 NZ LYS A 16 0.736 11.811 -10.789 1.00 0.00 N ATOM 0 H LYS A 16 -0.333 7.938 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 16 0.841 6.152 -9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.115 9.029 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.465 8.331 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.347 8.532 -11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.086 7.473 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.276 9.275 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.524 9.825 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.041 10.462 -12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.545 11.208 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.106 12.620 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.041 12.129 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.495 11.407 -10.204 1.00 0.00 H new ATOM 228 N GLU A 17 2.624 6.766 -7.136 1.00 0.00 N ATOM 229 CA GLU A 17 3.810 6.360 -6.393 1.00 0.00 C ATOM 230 C GLU A 17 3.783 4.866 -6.093 1.00 0.00 C ATOM 231 O GLU A 17 4.777 4.168 -6.294 1.00 0.00 O ATOM 232 CB GLU A 17 3.917 7.152 -5.089 1.00 0.00 C ATOM 233 CG GLU A 17 4.528 8.533 -5.265 1.00 0.00 C ATOM 234 CD GLU A 17 6.028 8.483 -5.486 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.764 8.236 -4.508 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.464 8.692 -6.637 1.00 0.00 O ATOM 0 H GLU A 17 1.977 7.354 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 17 4.683 6.571 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.923 7.256 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.518 6.586 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.056 9.030 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.314 9.136 -4.383 1.00 0.00 H new ATOM 243 N PHE A 18 2.646 4.381 -5.610 1.00 0.00 N ATOM 244 CA PHE A 18 2.508 2.965 -5.285 1.00 0.00 C ATOM 245 C PHE A 18 2.426 2.124 -6.553 1.00 0.00 C ATOM 246 O PHE A 18 2.929 1.001 -6.598 1.00 0.00 O ATOM 247 CB PHE A 18 1.270 2.726 -4.416 1.00 0.00 C ATOM 248 CG PHE A 18 1.428 1.603 -3.421 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.452 0.672 -3.548 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.549 1.480 -2.357 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.592 -0.356 -2.634 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.685 0.454 -1.441 1.00 0.00 C ATOM 253 CZ PHE A 18 1.707 -0.465 -1.579 1.00 0.00 C ATOM 0 H PHE A 18 1.812 4.941 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 18 3.392 2.663 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.033 3.644 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.421 2.508 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.147 0.752 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.252 2.195 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.392 -1.073 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.008 0.371 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.814 -1.267 -0.864 1.00 0.00 H new ATOM 263 N SER A 19 1.796 2.675 -7.585 1.00 0.00 N ATOM 264 CA SER A 19 1.655 1.974 -8.854 1.00 0.00 C ATOM 265 C SER A 19 3.023 1.715 -9.474 1.00 0.00 C ATOM 266 O SER A 19 3.346 0.585 -9.840 1.00 0.00 O ATOM 267 CB SER A 19 0.786 2.785 -9.818 1.00 0.00 C ATOM 268 OG SER A 19 -0.220 1.977 -10.403 1.00 0.00 O ATOM 0 H SER A 19 1.376 3.604 -7.567 1.00 0.00 H new ATOM 0 HA SER A 19 1.169 1.016 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.324 3.616 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.411 3.216 -10.600 1.00 0.00 H new ATOM 0 HG SER A 19 -0.762 2.520 -11.013 1.00 0.00 H new ATOM 274 N VAL A 20 3.825 2.769 -9.580 1.00 0.00 N ATOM 275 CA VAL A 20 5.162 2.659 -10.147 1.00 0.00 C ATOM 276 C VAL A 20 6.060 1.807 -9.255 1.00 0.00 C ATOM 277 O VAL A 20 6.845 0.994 -9.742 1.00 0.00 O ATOM 278 CB VAL A 20 5.808 4.046 -10.335 1.00 0.00 C ATOM 279 CG1 VAL A 20 7.145 3.923 -11.050 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.872 4.972 -11.097 1.00 0.00 C ATOM 0 H VAL A 20 3.571 3.710 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 20 5.059 2.182 -11.122 1.00 0.00 H new ATOM 0 HB VAL A 20 5.988 4.477 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.584 4.913 -11.173 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.817 3.298 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.993 3.469 -12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.345 5.946 -11.220 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.657 4.546 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.942 5.088 -10.540 1.00 0.00 H new ATOM 290 N LEU A 21 5.934 2.000 -7.946 1.00 0.00 N ATOM 291 CA LEU A 21 6.729 1.249 -6.981 1.00 0.00 C ATOM 292 C LEU A 21 6.452 -0.246 -7.099 1.00 0.00 C ATOM 293 O LEU A 21 7.374 -1.062 -7.102 1.00 0.00 O ATOM 294 CB LEU A 21 6.426 1.728 -5.560 1.00 0.00 C ATOM 295 CG LEU A 21 7.249 1.059 -4.457 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.708 1.479 -4.552 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.683 1.401 -3.087 1.00 0.00 C ATOM 0 H LEU A 21 5.288 2.671 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 21 7.783 1.423 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.593 2.804 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.369 1.560 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 21 7.192 -0.021 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.279 0.994 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.109 1.184 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.783 2.561 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.281 0.917 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.709 2.481 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.653 1.051 -3.021 1.00 0.00 H new ATOM 309 N LEU A 22 5.174 -0.597 -7.194 1.00 0.00 N ATOM 310 CA LEU A 22 4.769 -1.994 -7.310 1.00 0.00 C ATOM 311 C LEU A 22 5.132 -2.556 -8.681 1.00 0.00 C ATOM 312 O LEU A 22 5.459 -3.736 -8.812 1.00 0.00 O ATOM 313 CB LEU A 22 3.264 -2.130 -7.069 1.00 0.00 C ATOM 314 CG LEU A 22 2.799 -1.742 -5.665 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.344 -1.302 -5.682 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.990 -2.903 -4.703 1.00 0.00 C ATOM 0 H LEU A 22 4.400 0.067 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 22 5.305 -2.566 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.737 -1.510 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.972 -3.163 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 22 3.406 -0.904 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.034 -1.031 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.232 -0.440 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.721 -2.119 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.654 -2.610 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.408 -3.759 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.045 -3.174 -4.665 1.00 0.00 H new ATOM 328 N ASN A 23 5.073 -1.705 -9.702 1.00 0.00 N ATOM 329 CA ASN A 23 5.397 -2.122 -11.062 1.00 0.00 C ATOM 330 C ASN A 23 6.900 -2.325 -11.224 1.00 0.00 C ATOM 331 O ASN A 23 7.342 -3.280 -11.862 1.00 0.00 O ATOM 332 CB ASN A 23 4.898 -1.086 -12.072 1.00 0.00 C ATOM 333 CG ASN A 23 4.313 -1.725 -13.315 1.00 0.00 C ATOM 334 OD1 ASN A 23 3.333 -2.467 -13.243 1.00 0.00 O ATOM 335 ND2 ASN A 23 4.912 -1.441 -14.465 1.00 0.00 N ATOM 0 H ASN A 23 4.804 -0.725 -9.613 1.00 0.00 H new ATOM 0 HA ASN A 23 4.897 -3.071 -11.252 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.143 -0.457 -11.600 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.723 -0.433 -12.357 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.563 -1.843 -15.335 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.722 -0.821 -14.479 1.00 0.00 H new ATOM 342 N GLN A 24 7.680 -1.422 -10.640 1.00 0.00 N ATOM 343 CA GLN A 24 9.135 -1.504 -10.717 1.00 0.00 C ATOM 344 C GLN A 24 9.675 -2.623 -9.825 1.00 0.00 C ATOM 345 O GLN A 24 10.861 -2.947 -9.876 1.00 0.00 O ATOM 346 CB GLN A 24 9.763 -0.167 -10.318 1.00 0.00 C ATOM 347 CG GLN A 24 10.820 0.323 -11.294 1.00 0.00 C ATOM 348 CD GLN A 24 12.037 0.898 -10.598 1.00 0.00 C ATOM 349 OE1 GLN A 24 12.246 2.111 -10.588 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.850 0.027 -10.011 1.00 0.00 N ATOM 0 H GLN A 24 7.330 -0.625 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 24 9.404 -1.732 -11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.978 0.585 -10.238 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.211 -0.266 -9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.129 -0.504 -11.934 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.385 1.083 -11.943 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.638 -0.970 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.686 0.355 -9.527 1.00 0.00 H new ATOM 359 N GLN A 25 8.801 -3.211 -9.011 1.00 0.00 N ATOM 360 CA GLN A 25 9.199 -4.292 -8.117 1.00 0.00 C ATOM 361 C GLN A 25 9.167 -5.632 -8.843 1.00 0.00 C ATOM 362 O GLN A 25 8.108 -6.093 -9.271 1.00 0.00 O ATOM 363 CB GLN A 25 8.276 -4.338 -6.897 1.00 0.00 C ATOM 364 CG GLN A 25 8.728 -3.437 -5.759 1.00 0.00 C ATOM 365 CD GLN A 25 7.721 -3.382 -4.627 1.00 0.00 C ATOM 366 OE1 GLN A 25 6.725 -2.663 -4.701 1.00 0.00 O ATOM 367 NE2 GLN A 25 7.978 -4.143 -3.569 1.00 0.00 N ATOM 0 H GLN A 25 7.815 -2.957 -8.953 1.00 0.00 H new ATOM 0 HA GLN A 25 10.219 -4.101 -7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.270 -4.048 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.216 -5.364 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.683 -3.795 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.895 -2.430 -6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.816 -4.724 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.337 -4.146 -2.775 1.00 0.00 H new ATOM 376 N VAL A 26 10.335 -6.252 -8.982 1.00 0.00 N ATOM 377 CA VAL A 26 10.437 -7.539 -9.659 1.00 0.00 C ATOM 378 C VAL A 26 11.247 -8.535 -8.834 1.00 0.00 C ATOM 379 O VAL A 26 12.475 -8.460 -8.781 1.00 0.00 O ATOM 380 CB VAL A 26 11.083 -7.388 -11.052 1.00 0.00 C ATOM 381 CG1 VAL A 26 12.482 -6.801 -10.937 1.00 0.00 C ATOM 382 CG2 VAL A 26 11.114 -8.726 -11.778 1.00 0.00 C ATOM 0 H VAL A 26 11.221 -5.885 -8.636 1.00 0.00 H new ATOM 0 HA VAL A 26 9.422 -7.918 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 26 10.475 -6.698 -11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.918 -6.703 -11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.427 -5.819 -10.467 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.104 -7.459 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.573 -8.598 -12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.694 -9.442 -11.196 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.097 -9.097 -11.900 1.00 0.00 H new ATOM 392 N PHE A 27 10.551 -9.470 -8.195 1.00 0.00 N ATOM 393 CA PHE A 27 11.208 -10.484 -7.378 1.00 0.00 C ATOM 394 C PHE A 27 11.776 -11.592 -8.257 1.00 0.00 C ATOM 395 O PHE A 27 11.030 -12.396 -8.817 1.00 0.00 O ATOM 396 CB PHE A 27 10.228 -11.082 -6.365 1.00 0.00 C ATOM 397 CG PHE A 27 9.252 -10.089 -5.798 1.00 0.00 C ATOM 398 CD1 PHE A 27 9.697 -9.006 -5.057 1.00 0.00 C ATOM 399 CD2 PHE A 27 7.892 -10.243 -6.006 1.00 0.00 C ATOM 400 CE1 PHE A 27 8.800 -8.094 -4.533 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.991 -9.335 -5.485 1.00 0.00 C ATOM 402 CZ PHE A 27 7.445 -8.259 -4.747 1.00 0.00 C ATOM 0 H PHE A 27 9.534 -9.547 -8.227 1.00 0.00 H new ATOM 0 HA PHE A 27 12.024 -10.004 -6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.673 -11.888 -6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.794 -11.527 -5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.755 -8.873 -4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.532 -11.082 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.158 -7.253 -3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.932 -9.466 -5.654 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.742 -7.548 -4.338 1.00 0.00 H new ATOM 412 N ASN A 28 13.098 -11.629 -8.380 1.00 0.00 N ATOM 413 CA ASN A 28 13.754 -12.641 -9.196 1.00 0.00 C ATOM 414 C ASN A 28 13.493 -14.041 -8.641 1.00 0.00 C ATOM 415 O ASN A 28 12.591 -14.739 -9.105 1.00 0.00 O ATOM 416 CB ASN A 28 15.259 -12.367 -9.281 1.00 0.00 C ATOM 417 CG ASN A 28 15.973 -13.333 -10.204 1.00 0.00 C ATOM 418 OD1 ASN A 28 16.670 -14.243 -9.754 1.00 0.00 O ATOM 419 ND2 ASN A 28 15.802 -13.141 -11.508 1.00 0.00 N ATOM 0 H ASN A 28 13.733 -10.972 -7.927 1.00 0.00 H new ATOM 0 HA ASN A 28 13.336 -12.592 -10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.420 -11.348 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.694 -12.433 -8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.257 -13.760 -12.179 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.216 -12.374 -11.838 1.00 0.00 H new ATOM 426 N ASP A 29 14.282 -14.450 -7.653 1.00 0.00 N ATOM 427 CA ASP A 29 14.136 -15.763 -7.039 1.00 0.00 C ATOM 428 C ASP A 29 14.043 -15.623 -5.527 1.00 0.00 C ATOM 429 O ASP A 29 14.209 -14.525 -5.007 1.00 0.00 O ATOM 430 CB ASP A 29 15.323 -16.653 -7.420 1.00 0.00 C ATOM 431 CG ASP A 29 14.953 -17.703 -8.449 1.00 0.00 C ATOM 432 OD1 ASP A 29 14.551 -17.322 -9.568 1.00 0.00 O ATOM 433 OD2 ASP A 29 15.065 -18.908 -8.135 1.00 0.00 O ATOM 0 H ASP A 29 15.034 -13.885 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 29 13.220 -16.227 -7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.128 -16.032 -7.813 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.707 -17.144 -6.526 1.00 0.00 H new ATOM 438 N PRO A 30 13.766 -16.718 -4.787 1.00 0.00 N ATOM 439 CA PRO A 30 13.671 -16.665 -3.331 1.00 0.00 C ATOM 440 C PRO A 30 14.799 -15.814 -2.766 1.00 0.00 C ATOM 441 O PRO A 30 15.954 -16.001 -3.133 1.00 0.00 O ATOM 442 CB PRO A 30 13.813 -18.133 -2.893 1.00 0.00 C ATOM 443 CG PRO A 30 14.030 -18.923 -4.149 1.00 0.00 C ATOM 444 CD PRO A 30 13.535 -18.074 -5.287 1.00 0.00 C ATOM 0 HA PRO A 30 12.741 -16.219 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.650 -18.255 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.919 -18.472 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.085 -19.164 -4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.490 -19.869 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.085 -18.267 -6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.482 -18.255 -5.501 1.00 0.00 H new ATOM 452 N LEU A 31 14.474 -14.907 -1.854 1.00 0.00 N ATOM 453 CA LEU A 31 15.474 -14.041 -1.231 1.00 0.00 C ATOM 454 C LEU A 31 14.926 -13.545 0.119 1.00 0.00 C ATOM 455 O LEU A 31 14.919 -14.294 1.096 1.00 0.00 O ATOM 456 CB LEU A 31 15.820 -12.855 -2.159 1.00 0.00 C ATOM 457 CG LEU A 31 17.034 -13.037 -3.087 1.00 0.00 C ATOM 458 CD1 LEU A 31 16.695 -13.922 -4.272 1.00 0.00 C ATOM 459 CD2 LEU A 31 17.513 -11.689 -3.589 1.00 0.00 C ATOM 0 H LEU A 31 13.521 -14.749 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 31 16.393 -14.602 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.948 -12.640 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.995 -11.976 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 31 17.824 -13.518 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 31 17.573 -14.031 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.382 -14.903 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.886 -13.469 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.372 -11.829 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 31 16.711 -11.201 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 31 17.801 -11.067 -2.742 1.00 0.00 H new ATOM 471 N VAL A 32 14.474 -12.287 0.179 1.00 0.00 N ATOM 472 CA VAL A 32 13.940 -11.720 1.417 1.00 0.00 C ATOM 473 C VAL A 32 12.738 -12.515 1.920 1.00 0.00 C ATOM 474 O VAL A 32 11.992 -13.101 1.136 1.00 0.00 O ATOM 475 CB VAL A 32 13.528 -10.234 1.232 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.010 -9.979 -0.178 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.485 -9.820 2.261 1.00 0.00 C ATOM 0 H VAL A 32 14.468 -11.646 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 32 14.739 -11.776 2.156 1.00 0.00 H new ATOM 0 HB VAL A 32 14.420 -9.626 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.729 -8.931 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.791 -10.216 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.139 -10.607 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.216 -8.775 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.598 -10.443 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.894 -9.945 3.264 1.00 0.00 H new ATOM 487 N SER A 33 12.564 -12.526 3.239 1.00 0.00 N ATOM 488 CA SER A 33 11.460 -13.243 3.863 1.00 0.00 C ATOM 489 C SER A 33 10.194 -12.394 3.890 1.00 0.00 C ATOM 490 O SER A 33 10.211 -11.218 3.529 1.00 0.00 O ATOM 491 CB SER A 33 11.836 -13.663 5.285 1.00 0.00 C ATOM 492 OG SER A 33 11.189 -14.870 5.649 1.00 0.00 O ATOM 0 H SER A 33 13.177 -12.044 3.897 1.00 0.00 H new ATOM 0 HA SER A 33 11.261 -14.133 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.916 -13.790 5.356 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.561 -12.874 5.985 1.00 0.00 H new ATOM 0 HG SER A 33 11.447 -15.117 6.561 1.00 0.00 H new ATOM 498 N GLU A 34 9.096 -13.007 4.317 1.00 0.00 N ATOM 499 CA GLU A 34 7.810 -12.324 4.391 1.00 0.00 C ATOM 500 C GLU A 34 7.846 -11.186 5.404 1.00 0.00 C ATOM 501 O GLU A 34 7.306 -10.110 5.161 1.00 0.00 O ATOM 502 CB GLU A 34 6.711 -13.319 4.770 1.00 0.00 C ATOM 503 CG GLU A 34 5.779 -13.668 3.623 1.00 0.00 C ATOM 504 CD GLU A 34 4.449 -14.214 4.104 1.00 0.00 C ATOM 505 OE1 GLU A 34 4.360 -15.438 4.338 1.00 0.00 O ATOM 506 OE2 GLU A 34 3.497 -13.418 4.245 1.00 0.00 O ATOM 0 H GLU A 34 9.071 -13.981 4.619 1.00 0.00 H new ATOM 0 HA GLU A 34 7.597 -11.900 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.174 -14.233 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.124 -12.904 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.606 -12.779 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.260 -14.405 2.979 1.00 0.00 H new ATOM 513 N GLU A 35 8.468 -11.442 6.546 1.00 0.00 N ATOM 514 CA GLU A 35 8.557 -10.450 7.613 1.00 0.00 C ATOM 515 C GLU A 35 9.290 -9.188 7.163 1.00 0.00 C ATOM 516 O GLU A 35 8.943 -8.086 7.584 1.00 0.00 O ATOM 517 CB GLU A 35 9.256 -11.049 8.835 1.00 0.00 C ATOM 518 CG GLU A 35 10.619 -11.646 8.525 1.00 0.00 C ATOM 519 CD GLU A 35 11.367 -12.070 9.774 1.00 0.00 C ATOM 520 OE1 GLU A 35 11.733 -11.185 10.575 1.00 0.00 O ATOM 521 OE2 GLU A 35 11.586 -13.286 9.951 1.00 0.00 O ATOM 0 H GLU A 35 8.921 -12.331 6.760 1.00 0.00 H new ATOM 0 HA GLU A 35 7.538 -10.165 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.372 -10.274 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.619 -11.822 9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.493 -12.509 7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.216 -10.916 7.979 1.00 0.00 H new ATOM 528 N ASP A 36 10.303 -9.338 6.313 1.00 0.00 N ATOM 529 CA ASP A 36 11.056 -8.181 5.840 1.00 0.00 C ATOM 530 C ASP A 36 10.247 -7.396 4.814 1.00 0.00 C ATOM 531 O ASP A 36 10.067 -6.185 4.942 1.00 0.00 O ATOM 532 CB ASP A 36 12.395 -8.620 5.247 1.00 0.00 C ATOM 533 CG ASP A 36 13.569 -8.241 6.130 1.00 0.00 C ATOM 534 OD1 ASP A 36 13.975 -7.060 6.104 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.082 -9.125 6.848 1.00 0.00 O ATOM 0 H ASP A 36 10.617 -10.235 5.943 1.00 0.00 H new ATOM 0 HA ASP A 36 11.253 -7.529 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.388 -9.700 5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.521 -8.165 4.264 1.00 0.00 H new ATOM 540 N MET A 37 9.759 -8.096 3.799 1.00 0.00 N ATOM 541 CA MET A 37 8.966 -7.456 2.755 1.00 0.00 C ATOM 542 C MET A 37 7.716 -6.835 3.372 1.00 0.00 C ATOM 543 O MET A 37 7.418 -5.660 3.155 1.00 0.00 O ATOM 544 CB MET A 37 8.574 -8.472 1.681 1.00 0.00 C ATOM 545 CG MET A 37 8.032 -7.836 0.412 1.00 0.00 C ATOM 546 SD MET A 37 9.300 -6.955 -0.520 1.00 0.00 S ATOM 547 CE MET A 37 8.719 -5.268 -0.373 1.00 0.00 C ATOM 0 H MET A 37 9.896 -9.099 3.675 1.00 0.00 H new ATOM 0 HA MET A 37 9.563 -6.674 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.445 -9.078 1.431 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.822 -9.148 2.089 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.594 -8.609 -0.219 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.230 -7.144 0.671 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.078 -4.684 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.629 -5.258 -0.362 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.095 -4.833 0.553 1.00 0.00 H new ATOM 557 N VAL A 38 6.998 -7.634 4.153 1.00 0.00 N ATOM 558 CA VAL A 38 5.786 -7.184 4.823 1.00 0.00 C ATOM 559 C VAL A 38 6.064 -5.948 5.679 1.00 0.00 C ATOM 560 O VAL A 38 5.326 -4.965 5.620 1.00 0.00 O ATOM 561 CB VAL A 38 5.207 -8.315 5.708 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.207 -7.782 6.724 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.572 -9.390 4.839 1.00 0.00 C ATOM 0 H VAL A 38 7.239 -8.608 4.338 1.00 0.00 H new ATOM 0 HA VAL A 38 5.056 -6.921 4.058 1.00 0.00 H new ATOM 0 HB VAL A 38 6.032 -8.755 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.824 -8.607 7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.699 -7.058 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.381 -7.299 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.169 -10.179 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.767 -8.952 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.325 -9.810 4.172 1.00 0.00 H new ATOM 573 N THR A 39 7.132 -6.003 6.471 1.00 0.00 N ATOM 574 CA THR A 39 7.498 -4.882 7.331 1.00 0.00 C ATOM 575 C THR A 39 7.773 -3.634 6.496 1.00 0.00 C ATOM 576 O THR A 39 7.433 -2.520 6.894 1.00 0.00 O ATOM 577 CB THR A 39 8.722 -5.235 8.180 1.00 0.00 C ATOM 578 OG1 THR A 39 8.407 -6.256 9.111 1.00 0.00 O ATOM 579 CG2 THR A 39 9.275 -4.061 8.963 1.00 0.00 C ATOM 0 H THR A 39 7.756 -6.807 6.535 1.00 0.00 H new ATOM 0 HA THR A 39 6.662 -4.674 7.998 1.00 0.00 H new ATOM 0 HB THR A 39 9.479 -5.563 7.467 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.194 -7.083 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.140 -4.385 9.541 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.574 -3.272 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.509 -3.681 9.639 1.00 0.00 H new ATOM 587 N VAL A 40 8.374 -3.825 5.327 1.00 0.00 N ATOM 588 CA VAL A 40 8.665 -2.709 4.440 1.00 0.00 C ATOM 589 C VAL A 40 7.368 -2.153 3.871 1.00 0.00 C ATOM 590 O VAL A 40 7.192 -0.938 3.749 1.00 0.00 O ATOM 591 CB VAL A 40 9.593 -3.129 3.281 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.954 -1.927 2.419 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.848 -3.805 3.818 1.00 0.00 C ATOM 0 H VAL A 40 8.667 -4.736 4.975 1.00 0.00 H new ATOM 0 HA VAL A 40 9.177 -1.945 5.025 1.00 0.00 H new ATOM 0 HB VAL A 40 9.060 -3.846 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.609 -2.245 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.045 -1.492 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.467 -1.183 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.490 -4.094 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.385 -3.113 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.569 -4.692 4.386 1.00 0.00 H new ATOM 603 N VAL A 41 6.454 -3.058 3.540 1.00 0.00 N ATOM 604 CA VAL A 41 5.160 -2.677 2.999 1.00 0.00 C ATOM 605 C VAL A 41 4.373 -1.868 4.027 1.00 0.00 C ATOM 606 O VAL A 41 3.853 -0.797 3.719 1.00 0.00 O ATOM 607 CB VAL A 41 4.353 -3.925 2.581 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.987 -3.543 2.037 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.129 -4.736 1.552 1.00 0.00 C ATOM 0 H VAL A 41 6.589 -4.064 3.638 1.00 0.00 H new ATOM 0 HA VAL A 41 5.329 -2.061 2.116 1.00 0.00 H new ATOM 0 HB VAL A 41 4.198 -4.538 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.444 -4.444 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.426 -3.009 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.109 -2.901 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.548 -5.613 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.316 -4.122 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.079 -5.054 1.981 1.00 0.00 H new ATOM 619 N GLU A 42 4.300 -2.382 5.256 1.00 0.00 N ATOM 620 CA GLU A 42 3.585 -1.692 6.328 1.00 0.00 C ATOM 621 C GLU A 42 4.158 -0.297 6.534 1.00 0.00 C ATOM 622 O GLU A 42 3.412 0.670 6.669 1.00 0.00 O ATOM 623 CB GLU A 42 3.643 -2.495 7.627 1.00 0.00 C ATOM 624 CG GLU A 42 5.045 -2.844 8.052 1.00 0.00 C ATOM 625 CD GLU A 42 5.095 -3.499 9.419 1.00 0.00 C ATOM 626 OE1 GLU A 42 4.717 -4.685 9.523 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.512 -2.826 10.385 1.00 0.00 O ATOM 0 H GLU A 42 4.724 -3.268 5.531 1.00 0.00 H new ATOM 0 HA GLU A 42 2.539 -1.598 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.162 -1.923 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.069 -3.414 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.487 -3.515 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.653 -1.939 8.064 1.00 0.00 H new ATOM 634 N ASP A 43 5.483 -0.188 6.547 1.00 0.00 N ATOM 635 CA ASP A 43 6.129 1.107 6.720 1.00 0.00 C ATOM 636 C ASP A 43 5.647 2.078 5.646 1.00 0.00 C ATOM 637 O ASP A 43 5.353 3.238 5.928 1.00 0.00 O ATOM 638 CB ASP A 43 7.650 0.961 6.652 1.00 0.00 C ATOM 639 CG ASP A 43 8.276 0.783 8.022 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.464 1.799 8.724 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.575 -0.371 8.392 1.00 0.00 O ATOM 0 H ASP A 43 6.125 -0.974 6.441 1.00 0.00 H new ATOM 0 HA ASP A 43 5.863 1.500 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.902 0.105 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.076 1.843 6.173 1.00 0.00 H new ATOM 646 N TRP A 44 5.589 1.590 4.408 1.00 0.00 N ATOM 647 CA TRP A 44 5.162 2.423 3.290 1.00 0.00 C ATOM 648 C TRP A 44 3.741 2.938 3.508 1.00 0.00 C ATOM 649 O TRP A 44 3.476 4.135 3.368 1.00 0.00 O ATOM 650 CB TRP A 44 5.224 1.627 1.984 1.00 0.00 C ATOM 651 CG TRP A 44 6.612 1.471 1.443 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.692 2.261 1.714 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.069 0.462 0.535 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.793 1.804 1.030 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.437 0.701 0.300 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.454 -0.621 -0.101 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.198 -0.103 -0.544 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.212 -1.418 -0.938 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.571 -1.156 -1.152 1.00 0.00 C ATOM 0 H TRP A 44 5.830 0.631 4.157 1.00 0.00 H new ATOM 0 HA TRP A 44 5.838 3.276 3.226 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.794 0.639 2.149 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.605 2.123 1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.683 3.119 2.370 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.724 2.219 1.061 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.407 -0.831 0.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.246 0.097 -0.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.748 -2.257 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.136 -1.799 -1.811 1.00 0.00 H new ATOM 670 N MET A 45 2.831 2.038 3.862 1.00 0.00 N ATOM 671 CA MET A 45 1.442 2.422 4.102 1.00 0.00 C ATOM 672 C MET A 45 1.326 3.293 5.350 1.00 0.00 C ATOM 673 O MET A 45 0.481 4.185 5.417 1.00 0.00 O ATOM 674 CB MET A 45 0.519 1.191 4.232 1.00 0.00 C ATOM 675 CG MET A 45 1.241 -0.141 4.395 1.00 0.00 C ATOM 676 SD MET A 45 0.145 -1.467 4.947 1.00 0.00 S ATOM 677 CE MET A 45 1.209 -2.902 4.768 1.00 0.00 C ATOM 0 H MET A 45 3.026 1.045 3.989 1.00 0.00 H new ATOM 0 HA MET A 45 1.116 2.997 3.235 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.139 1.338 5.089 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.116 1.137 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.694 -0.422 3.444 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.053 -0.024 5.113 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.718 -3.643 4.137 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.151 -2.602 4.308 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.406 -3.334 5.749 1.00 0.00 H new ATOM 687 N ASN A 46 2.174 3.027 6.339 1.00 0.00 N ATOM 688 CA ASN A 46 2.157 3.786 7.585 1.00 0.00 C ATOM 689 C ASN A 46 2.722 5.192 7.395 1.00 0.00 C ATOM 690 O ASN A 46 2.229 6.150 7.994 1.00 0.00 O ATOM 691 CB ASN A 46 2.944 3.046 8.670 1.00 0.00 C ATOM 692 CG ASN A 46 2.063 2.142 9.507 1.00 0.00 C ATOM 693 OD1 ASN A 46 1.022 2.562 10.012 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.478 0.889 9.660 1.00 0.00 N ATOM 0 H ASN A 46 2.881 2.292 6.302 1.00 0.00 H new ATOM 0 HA ASN A 46 1.117 3.882 7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.730 2.452 8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.435 3.772 9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.927 0.233 10.214 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.348 0.583 9.224 1.00 0.00 H new ATOM 701 N PHE A 47 3.749 5.331 6.562 1.00 0.00 N ATOM 702 CA PHE A 47 4.319 6.648 6.331 1.00 0.00 C ATOM 703 C PHE A 47 3.357 7.471 5.499 1.00 0.00 C ATOM 704 O PHE A 47 3.241 8.673 5.689 1.00 0.00 O ATOM 705 CB PHE A 47 5.716 6.567 5.678 1.00 0.00 C ATOM 706 CG PHE A 47 5.754 6.753 4.177 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.364 7.950 3.580 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.195 5.725 3.363 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.412 8.104 2.208 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.247 5.876 1.991 1.00 0.00 C ATOM 711 CZ PHE A 47 5.855 7.066 1.412 1.00 0.00 C ATOM 0 H PHE A 47 4.192 4.569 6.049 1.00 0.00 H new ATOM 0 HA PHE A 47 4.464 7.139 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.354 7.323 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.152 5.597 5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.020 8.767 4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.503 4.790 3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.103 9.036 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.594 5.063 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.895 7.185 0.339 1.00 0.00 H new ATOM 721 N TYR A 48 2.652 6.811 4.586 1.00 0.00 N ATOM 722 CA TYR A 48 1.684 7.498 3.747 1.00 0.00 C ATOM 723 C TYR A 48 0.512 7.991 4.585 1.00 0.00 C ATOM 724 O TYR A 48 0.080 9.134 4.450 1.00 0.00 O ATOM 725 CB TYR A 48 1.180 6.574 2.637 1.00 0.00 C ATOM 726 CG TYR A 48 2.117 6.474 1.454 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.567 7.613 0.801 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.546 5.237 0.989 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.421 7.524 -0.282 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.400 5.140 -0.093 1.00 0.00 C ATOM 731 CZ TYR A 48 3.834 6.285 -0.725 1.00 0.00 C ATOM 732 OH TYR A 48 4.684 6.192 -1.803 1.00 0.00 O ATOM 0 H TYR A 48 2.733 5.809 4.411 1.00 0.00 H new ATOM 0 HA TYR A 48 2.177 8.355 3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.023 5.577 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.210 6.932 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.245 8.585 1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.207 4.337 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.763 8.420 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.726 4.171 -0.442 1.00 0.00 H new ATOM 0 HH TYR A 48 4.879 5.249 -1.986 1.00 0.00 H new ATOM 742 N ILE A 49 -0.001 7.123 5.450 1.00 0.00 N ATOM 743 CA ILE A 49 -1.124 7.481 6.304 1.00 0.00 C ATOM 744 C ILE A 49 -0.784 8.681 7.187 1.00 0.00 C ATOM 745 O ILE A 49 -1.556 9.637 7.273 1.00 0.00 O ATOM 746 CB ILE A 49 -1.573 6.296 7.196 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.810 6.680 8.008 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.453 5.853 8.115 1.00 0.00 C ATOM 749 CD1 ILE A 49 -4.069 5.964 7.569 1.00 0.00 C ATOM 0 H ILE A 49 0.342 6.171 5.577 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.948 7.745 5.641 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.827 5.459 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.626 6.462 9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.967 7.756 7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.795 5.020 8.730 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.403 5.537 7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.160 6.683 8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.906 6.286 8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.278 6.202 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.931 4.888 7.675 1.00 0.00 H new ATOM 761 N ASN A 50 0.373 8.628 7.842 1.00 0.00 N ATOM 762 CA ASN A 50 0.803 9.713 8.722 1.00 0.00 C ATOM 763 C ASN A 50 1.242 10.941 7.928 1.00 0.00 C ATOM 764 O ASN A 50 0.958 12.075 8.313 1.00 0.00 O ATOM 765 CB ASN A 50 1.947 9.242 9.620 1.00 0.00 C ATOM 766 CG ASN A 50 1.481 8.281 10.696 1.00 0.00 C ATOM 767 OD1 ASN A 50 0.515 8.550 11.409 1.00 0.00 O ATOM 768 ND2 ASN A 50 2.169 7.151 10.817 1.00 0.00 N ATOM 0 H ASN A 50 1.028 7.849 7.781 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.051 9.996 9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.708 8.757 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.417 10.107 10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.903 6.465 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.964 6.970 10.204 1.00 0.00 H new ATOM 775 N TYR A 51 1.948 10.709 6.828 1.00 0.00 N ATOM 776 CA TYR A 51 2.442 11.792 5.986 1.00 0.00 C ATOM 777 C TYR A 51 1.290 12.534 5.317 1.00 0.00 C ATOM 778 O TYR A 51 1.308 13.760 5.210 1.00 0.00 O ATOM 779 CB TYR A 51 3.400 11.218 4.939 1.00 0.00 C ATOM 780 CG TYR A 51 3.735 12.146 3.798 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.846 13.517 3.986 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.944 11.638 2.526 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.158 14.354 2.931 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.254 12.464 1.469 1.00 0.00 C ATOM 785 CZ TYR A 51 4.362 13.823 1.675 1.00 0.00 C ATOM 786 OH TYR A 51 4.672 14.652 0.621 1.00 0.00 O ATOM 0 H TYR A 51 2.192 9.776 6.497 1.00 0.00 H new ATOM 0 HA TYR A 51 2.976 12.511 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.326 10.930 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.962 10.308 4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.687 13.935 4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.862 10.574 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.242 15.419 3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.412 12.050 0.484 1.00 0.00 H new ATOM 0 HH TYR A 51 4.785 14.118 -0.193 1.00 0.00 H new ATOM 796 N TYR A 52 0.293 11.784 4.872 1.00 0.00 N ATOM 797 CA TYR A 52 -0.865 12.375 4.219 1.00 0.00 C ATOM 798 C TYR A 52 -1.770 13.056 5.238 1.00 0.00 C ATOM 799 O TYR A 52 -2.376 14.087 4.950 1.00 0.00 O ATOM 800 CB TYR A 52 -1.640 11.310 3.446 1.00 0.00 C ATOM 801 CG TYR A 52 -0.970 10.903 2.154 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.511 11.860 1.259 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.793 9.564 1.832 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.104 11.495 0.078 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.177 9.191 0.652 1.00 0.00 C ATOM 806 CZ TYR A 52 0.270 10.159 -0.222 1.00 0.00 C ATOM 807 OH TYR A 52 0.883 9.790 -1.396 1.00 0.00 O ATOM 0 H TYR A 52 0.262 10.768 4.951 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.514 13.130 3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.762 10.430 4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.639 11.686 3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.637 12.907 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.142 8.802 2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.454 12.252 -0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.046 8.145 0.416 1.00 0.00 H new ATOM 0 HH TYR A 52 1.587 9.135 -1.206 1.00 0.00 H new ATOM 817 N ARG A 53 -1.849 12.483 6.436 1.00 0.00 N ATOM 818 CA ARG A 53 -2.673 13.052 7.498 1.00 0.00 C ATOM 819 C ARG A 53 -2.261 14.494 7.785 1.00 0.00 C ATOM 820 O ARG A 53 -3.074 15.310 8.218 1.00 0.00 O ATOM 821 CB ARG A 53 -2.545 12.216 8.775 1.00 0.00 C ATOM 822 CG ARG A 53 -3.880 11.853 9.405 1.00 0.00 C ATOM 823 CD ARG A 53 -4.148 10.358 9.327 1.00 0.00 C ATOM 824 NE ARG A 53 -3.358 9.609 10.302 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.620 8.355 10.662 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.649 7.706 10.132 1.00 0.00 N ATOM 827 NH2 ARG A 53 -2.850 7.747 11.555 1.00 0.00 N ATOM 0 H ARG A 53 -1.355 11.629 6.695 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.711 13.042 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.001 11.300 8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.949 12.768 9.502 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.889 12.171 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.680 12.394 8.900 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.208 10.170 9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.919 10.000 8.323 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.559 10.075 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.244 8.168 9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.845 6.745 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.057 8.241 11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.051 6.786 11.831 1.00 0.00 H new ATOM 841 N GLN A 54 -0.984 14.789 7.561 1.00 0.00 N ATOM 842 CA GLN A 54 -0.444 16.118 7.811 1.00 0.00 C ATOM 843 C GLN A 54 -0.291 16.923 6.516 1.00 0.00 C ATOM 844 O GLN A 54 -0.014 18.122 6.556 1.00 0.00 O ATOM 845 CB GLN A 54 0.908 15.973 8.539 1.00 0.00 C ATOM 846 CG GLN A 54 2.067 16.768 7.942 1.00 0.00 C ATOM 847 CD GLN A 54 3.396 16.042 8.053 1.00 0.00 C ATOM 848 OE1 GLN A 54 4.253 16.161 7.178 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.575 15.283 9.129 1.00 0.00 N ATOM 0 H GLN A 54 -0.302 14.120 7.205 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.142 16.673 8.439 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.776 16.280 9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.183 14.918 8.551 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.857 16.975 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.140 17.731 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.839 15.212 9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.449 14.772 9.253 1.00 0.00 H new ATOM 858 N GLN A 55 -0.445 16.261 5.373 1.00 0.00 N ATOM 859 CA GLN A 55 -0.292 16.930 4.083 1.00 0.00 C ATOM 860 C GLN A 55 -1.624 17.412 3.509 1.00 0.00 C ATOM 861 O GLN A 55 -1.662 17.953 2.404 1.00 0.00 O ATOM 862 CB GLN A 55 0.387 15.989 3.084 1.00 0.00 C ATOM 863 CG GLN A 55 0.794 16.665 1.785 1.00 0.00 C ATOM 864 CD GLN A 55 1.624 17.914 2.012 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.267 19.001 1.559 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.737 17.761 2.718 1.00 0.00 N ATOM 0 H GLN A 55 -0.674 15.269 5.312 1.00 0.00 H new ATOM 0 HA GLN A 55 0.328 17.811 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.272 15.556 3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.289 15.165 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.362 15.962 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.101 16.926 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.993 16.840 3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.337 18.565 2.905 1.00 0.00 H new ATOM 927 N PRO A 60 -11.847 19.830 7.623 1.00 0.00 N ATOM 928 CA PRO A 60 -11.411 18.589 8.275 1.00 0.00 C ATOM 929 C PRO A 60 -12.055 17.351 7.661 1.00 0.00 C ATOM 930 O PRO A 60 -11.434 16.291 7.587 1.00 0.00 O ATOM 931 CB PRO A 60 -11.864 18.763 9.729 1.00 0.00 C ATOM 932 CG PRO A 60 -12.956 19.775 9.672 1.00 0.00 C ATOM 933 CD PRO A 60 -12.603 20.699 8.543 1.00 0.00 C ATOM 0 HA PRO A 60 -10.337 18.434 8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.220 17.821 10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.043 19.103 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.921 19.299 9.500 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.033 20.320 10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.492 21.112 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.003 21.542 8.885 1.00 0.00 H new ATOM 941 N GLN A 61 -13.299 17.492 7.218 1.00 0.00 N ATOM 942 CA GLN A 61 -14.022 16.381 6.610 1.00 0.00 C ATOM 943 C GLN A 61 -13.314 15.907 5.344 1.00 0.00 C ATOM 944 O GLN A 61 -13.291 14.714 5.041 1.00 0.00 O ATOM 945 CB GLN A 61 -15.457 16.794 6.281 1.00 0.00 C ATOM 946 CG GLN A 61 -15.547 18.030 5.400 1.00 0.00 C ATOM 947 CD GLN A 61 -15.941 17.701 3.974 1.00 0.00 C ATOM 948 OE1 GLN A 61 -15.281 16.909 3.301 1.00 0.00 O ATOM 949 NE2 GLN A 61 -17.024 18.310 3.503 1.00 0.00 N ATOM 0 H GLN A 61 -13.827 18.363 7.268 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.046 15.559 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.960 15.965 5.783 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.995 16.980 7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.275 18.722 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.585 18.542 5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.542 18.959 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.337 18.128 2.550 1.00 0.00 H new ATOM 958 N GLU A 62 -12.736 16.853 4.611 1.00 0.00 N ATOM 959 CA GLU A 62 -12.024 16.539 3.380 1.00 0.00 C ATOM 960 C GLU A 62 -10.780 15.712 3.677 1.00 0.00 C ATOM 961 O GLU A 62 -10.504 14.721 2.999 1.00 0.00 O ATOM 962 CB GLU A 62 -11.634 17.824 2.647 1.00 0.00 C ATOM 963 CG GLU A 62 -12.818 18.568 2.050 1.00 0.00 C ATOM 964 CD GLU A 62 -12.468 19.983 1.636 1.00 0.00 C ATOM 965 OE1 GLU A 62 -11.429 20.167 0.967 1.00 0.00 O ATOM 966 OE2 GLU A 62 -13.232 20.909 1.980 1.00 0.00 O ATOM 0 H GLU A 62 -12.747 17.845 4.850 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.687 15.956 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.113 18.484 3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.931 17.579 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.187 18.020 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.629 18.596 2.778 1.00 0.00 H new ATOM 973 N ARG A 63 -10.032 16.120 4.698 1.00 0.00 N ATOM 974 CA ARG A 63 -8.821 15.405 5.081 1.00 0.00 C ATOM 975 C ARG A 63 -9.174 14.011 5.578 1.00 0.00 C ATOM 976 O ARG A 63 -8.586 13.018 5.149 1.00 0.00 O ATOM 977 CB ARG A 63 -8.050 16.157 6.177 1.00 0.00 C ATOM 978 CG ARG A 63 -8.270 17.663 6.191 1.00 0.00 C ATOM 979 CD ARG A 63 -7.328 18.350 7.165 1.00 0.00 C ATOM 980 NE ARG A 63 -7.314 19.800 6.983 1.00 0.00 N ATOM 981 CZ ARG A 63 -7.378 20.682 7.982 1.00 0.00 C ATOM 982 NH1 ARG A 63 -7.448 20.272 9.244 1.00 0.00 N ATOM 983 NH2 ARG A 63 -7.369 21.980 7.717 1.00 0.00 N ATOM 0 H ARG A 63 -10.242 16.937 5.271 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.184 15.333 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.338 15.753 7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.985 15.960 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.117 18.064 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.302 17.879 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.628 18.116 8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.320 17.958 7.032 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.251 20.161 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.453 19.274 9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.497 20.955 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.313 22.303 6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.418 22.656 8.479 1.00 0.00 H new ATOM 997 N ASP A 64 -10.119 13.950 6.511 1.00 0.00 N ATOM 998 CA ASP A 64 -10.526 12.681 7.096 1.00 0.00 C ATOM 999 C ASP A 64 -10.951 11.684 6.023 1.00 0.00 C ATOM 1000 O ASP A 64 -10.595 10.507 6.099 1.00 0.00 O ATOM 1001 CB ASP A 64 -11.671 12.896 8.087 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.783 11.770 9.095 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -12.452 10.762 8.788 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.201 11.896 10.193 1.00 0.00 O ATOM 0 H ASP A 64 -10.615 14.763 6.876 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.666 12.268 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.519 13.838 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.609 12.985 7.540 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.692 12.139 5.017 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.123 11.246 3.949 1.00 0.00 C ATOM 1011 C LYS A 65 -10.919 10.755 3.159 1.00 0.00 C ATOM 1012 O LYS A 65 -10.762 9.559 2.920 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.115 11.954 3.024 1.00 0.00 C ATOM 1014 CG LYS A 65 -14.530 11.405 3.124 1.00 0.00 C ATOM 1015 CD LYS A 65 -15.559 12.520 3.254 1.00 0.00 C ATOM 1016 CE LYS A 65 -16.320 12.732 1.954 1.00 0.00 C ATOM 1017 NZ LYS A 65 -17.677 12.121 1.998 1.00 0.00 N ATOM 0 H LYS A 65 -12.002 13.106 4.920 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.624 10.387 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.128 13.017 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.769 11.863 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.751 10.807 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.603 10.741 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.261 12.277 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.059 13.446 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.409 13.800 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.754 12.301 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.162 12.288 1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.592 11.097 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.226 12.550 2.770 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.066 11.693 2.765 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.865 11.362 2.010 1.00 0.00 C ATOM 1033 C ALA A 66 -8.009 10.371 2.787 1.00 0.00 C ATOM 1034 O ALA A 66 -7.477 9.415 2.221 1.00 0.00 O ATOM 1035 CB ALA A 66 -8.071 12.622 1.698 1.00 0.00 C ATOM 0 H ALA A 66 -10.184 12.688 2.956 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.162 10.900 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.177 12.358 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.685 13.302 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.782 13.110 2.629 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.892 10.598 4.091 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.115 9.719 4.951 1.00 0.00 C ATOM 1043 C LEU A 67 -7.705 8.315 4.940 1.00 0.00 C ATOM 1044 O LEU A 67 -6.975 7.320 4.916 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.087 10.272 6.379 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.074 11.398 6.640 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.570 12.009 5.339 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.693 12.473 7.520 1.00 0.00 C ATOM 0 H LEU A 67 -8.327 11.384 4.574 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.094 9.670 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.083 10.640 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.873 9.450 7.063 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.220 10.962 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.856 12.802 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.083 11.239 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.410 12.424 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.964 13.264 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.568 12.891 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.991 12.036 8.473 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.034 8.240 4.929 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.717 6.957 4.891 1.00 0.00 C ATOM 1062 C GLN A 68 -9.456 6.274 3.557 1.00 0.00 C ATOM 1063 O GLN A 68 -9.186 5.075 3.499 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.224 7.140 5.096 1.00 0.00 C ATOM 1065 CG GLN A 68 -11.580 8.007 6.293 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.417 7.270 7.319 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -13.184 6.368 6.981 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -12.275 7.651 8.583 1.00 0.00 N ATOM 0 H GLN A 68 -9.653 9.050 4.946 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.331 6.334 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.652 7.584 4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.686 6.160 5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.664 8.362 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.124 8.887 5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.628 8.403 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.813 7.191 9.318 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.537 7.056 2.484 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.307 6.540 1.144 1.00 0.00 C ATOM 1079 C GLU A 69 -7.878 6.037 0.994 1.00 0.00 C ATOM 1080 O GLU A 69 -7.611 5.133 0.203 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.598 7.619 0.098 1.00 0.00 C ATOM 1082 CG GLU A 69 -10.980 7.506 -0.526 1.00 0.00 C ATOM 1083 CD GLU A 69 -10.929 7.100 -1.988 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -10.488 5.967 -2.274 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -11.328 7.916 -2.845 1.00 0.00 O ATOM 0 H GLU A 69 -9.761 8.051 2.520 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.985 5.702 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.498 8.600 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.847 7.561 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.567 6.775 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.495 8.463 -0.436 1.00 0.00 H new ATOM 1092 N LEU A 70 -6.958 6.613 1.761 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.568 6.188 1.696 1.00 0.00 C ATOM 1094 C LEU A 70 -5.419 4.827 2.360 1.00 0.00 C ATOM 1095 O LEU A 70 -4.824 3.907 1.796 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.663 7.215 2.388 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.830 8.096 1.451 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.640 7.321 0.907 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.684 8.635 0.314 1.00 0.00 C ATOM 0 H LEU A 70 -7.147 7.364 2.425 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.268 6.113 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.284 7.861 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.986 6.684 3.057 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.455 8.944 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.060 7.963 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.011 6.992 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.994 6.452 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.071 9.257 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.094 7.803 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.500 9.231 0.723 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.953 4.712 3.570 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.871 3.466 4.324 1.00 0.00 C ATOM 1113 C ARG A 71 -6.503 2.303 3.563 1.00 0.00 C ATOM 1114 O ARG A 71 -5.994 1.183 3.603 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.521 3.621 5.705 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.043 3.680 5.684 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.638 3.162 6.985 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.376 4.201 7.702 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.655 4.099 8.067 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.356 3.008 7.781 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.234 5.095 8.722 1.00 0.00 N ATOM 0 H ARG A 71 -6.447 5.465 4.050 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.814 3.237 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.211 2.787 6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.141 4.530 6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.366 4.708 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.420 3.089 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.304 2.326 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.840 2.779 7.621 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.880 5.060 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.917 2.237 7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.333 2.941 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.702 5.936 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.212 5.021 9.003 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.612 2.559 2.869 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.286 1.507 2.115 1.00 0.00 C ATOM 1137 C GLN A 72 -7.525 1.178 0.835 1.00 0.00 C ATOM 1138 O GLN A 72 -7.423 0.013 0.448 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.726 1.909 1.787 1.00 0.00 C ATOM 1140 CG GLN A 72 -9.845 3.266 1.116 1.00 0.00 C ATOM 1141 CD GLN A 72 -10.307 3.168 -0.325 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -9.525 3.369 -1.255 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -11.584 2.858 -0.517 1.00 0.00 N ATOM 0 H GLN A 72 -8.057 3.475 2.814 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.309 0.614 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.165 1.153 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.310 1.917 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.546 3.884 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.879 3.770 1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.196 2.700 0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.952 2.778 -1.465 1.00 0.00 H new ATOM 1152 N GLU A 73 -6.985 2.204 0.184 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.227 2.009 -1.047 1.00 0.00 C ATOM 1154 C GLU A 73 -5.023 1.107 -0.798 1.00 0.00 C ATOM 1155 O GLU A 73 -4.818 0.120 -1.503 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.766 3.353 -1.612 1.00 0.00 C ATOM 1157 CG GLU A 73 -5.532 3.333 -3.114 1.00 0.00 C ATOM 1158 CD GLU A 73 -6.823 3.396 -3.905 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -7.476 4.462 -3.892 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.183 2.381 -4.538 1.00 0.00 O ATOM 0 H GLU A 73 -7.058 3.175 0.487 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.880 1.528 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.514 4.111 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.844 3.651 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.899 4.176 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.990 2.426 -3.382 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.236 1.449 0.219 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.059 0.663 0.570 1.00 0.00 C ATOM 1169 C LEU A 74 -3.467 -0.710 1.095 1.00 0.00 C ATOM 1170 O LEU A 74 -2.880 -1.728 0.728 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.225 1.396 1.622 1.00 0.00 C ATOM 1172 CG LEU A 74 -1.859 2.839 1.268 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -1.953 3.731 2.495 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.462 2.902 0.666 1.00 0.00 C ATOM 0 H LEU A 74 -4.392 2.264 0.813 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.458 0.529 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.775 1.397 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.306 0.835 1.790 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.570 3.202 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.689 4.753 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.971 3.710 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.266 3.370 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.218 3.936 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.262 2.520 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.428 2.296 -0.239 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.470 -0.726 1.970 1.00 0.00 N ATOM 1187 CA ASN A 75 -4.953 -1.970 2.564 1.00 0.00 C ATOM 1188 C ASN A 75 -5.291 -2.996 1.490 1.00 0.00 C ATOM 1189 O ASN A 75 -4.942 -4.171 1.612 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.180 -1.702 3.435 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.646 -2.939 4.177 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.449 -4.064 3.718 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.268 -2.735 5.333 1.00 0.00 N ATOM 0 H ASN A 75 -4.964 0.109 2.284 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.156 -2.376 3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.947 -0.917 4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.991 -1.330 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.604 -3.529 5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.410 -1.785 5.675 1.00 0.00 H new ATOM 1200 N THR A 76 -5.950 -2.549 0.429 1.00 0.00 N ATOM 1201 CA THR A 76 -6.299 -3.448 -0.663 1.00 0.00 C ATOM 1202 C THR A 76 -5.094 -3.638 -1.575 1.00 0.00 C ATOM 1203 O THR A 76 -4.718 -4.759 -1.899 1.00 0.00 O ATOM 1204 CB THR A 76 -7.482 -2.892 -1.458 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.610 -2.712 -0.620 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.902 -3.779 -2.609 1.00 0.00 C ATOM 0 H THR A 76 -6.250 -1.583 0.301 1.00 0.00 H new ATOM 0 HA THR A 76 -6.589 -4.413 -0.247 1.00 0.00 H new ATOM 0 HB THR A 76 -7.135 -1.941 -1.863 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.522 -1.868 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.745 -3.325 -3.129 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.068 -3.896 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.195 -4.757 -2.227 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.511 -2.524 -2.000 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.358 -2.549 -2.899 1.00 0.00 C ATOM 1216 C LEU A 77 -2.290 -3.529 -2.413 1.00 0.00 C ATOM 1217 O LEU A 77 -1.659 -4.221 -3.213 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.753 -1.148 -3.017 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.434 -0.227 -4.033 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.687 1.095 -4.134 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.519 -0.901 -5.395 1.00 0.00 C ATOM 0 H LEU A 77 -4.817 -1.587 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.707 -2.882 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.788 -0.671 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.701 -1.245 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.449 -0.024 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.183 1.739 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.680 1.584 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.662 0.910 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.006 -0.230 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.515 -1.135 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.097 -1.821 -5.310 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.084 -3.577 -1.101 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.086 -4.466 -0.511 1.00 0.00 C ATOM 1235 C ALA A 78 -1.546 -5.927 -0.483 1.00 0.00 C ATOM 1236 O ALA A 78 -0.722 -6.841 -0.474 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.742 -4.001 0.896 1.00 0.00 C ATOM 0 H ALA A 78 -2.595 -3.010 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.199 -4.420 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.003 -4.669 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.341 -2.988 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.641 -4.012 1.513 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.859 -6.143 -0.440 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.414 -7.497 -0.378 1.00 0.00 C ATOM 1245 C ASN A 79 -2.868 -8.407 -1.489 1.00 0.00 C ATOM 1246 O ASN A 79 -2.424 -9.522 -1.215 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.951 -7.436 -0.423 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.569 -8.360 -1.461 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.182 -7.905 -2.426 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.408 -9.662 -1.263 1.00 0.00 N ATOM 0 H ASN A 79 -3.559 -5.401 -0.447 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.099 -7.939 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.345 -7.693 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.259 -6.412 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.800 -10.331 -1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.892 -9.994 -0.448 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.896 -7.956 -2.757 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.406 -8.757 -3.884 1.00 0.00 C ATOM 1259 C PRO A 80 -0.887 -8.884 -3.896 1.00 0.00 C ATOM 1260 O PRO A 80 -0.340 -9.830 -4.461 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.886 -7.980 -5.110 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.003 -6.572 -4.639 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.415 -6.650 -3.195 1.00 0.00 C ATOM 0 HA PRO A 80 -2.774 -9.782 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.179 -8.065 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.843 -8.359 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.055 -6.045 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.740 -6.024 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.989 -5.833 -2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.498 -6.591 -3.083 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.210 -7.927 -3.269 1.00 0.00 N ATOM 1272 CA PHE A 81 1.246 -7.934 -3.207 1.00 0.00 C ATOM 1273 C PHE A 81 1.741 -9.037 -2.278 1.00 0.00 C ATOM 1274 O PHE A 81 2.616 -9.826 -2.640 1.00 0.00 O ATOM 1275 CB PHE A 81 1.743 -6.572 -2.720 1.00 0.00 C ATOM 1276 CG PHE A 81 3.237 -6.466 -2.603 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.911 -7.083 -1.562 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.962 -5.734 -3.527 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.284 -6.974 -1.449 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.334 -5.619 -3.417 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.997 -6.241 -2.377 1.00 0.00 C ATOM 0 H PHE A 81 -0.648 -7.136 -2.796 1.00 0.00 H new ATOM 0 HA PHE A 81 1.640 -8.128 -4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.388 -5.802 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.298 -6.362 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.358 -7.655 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.449 -5.247 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.799 -7.462 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.888 -5.043 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.070 -6.154 -2.290 1.00 0.00 H new ATOM 1291 N LEU A 82 1.172 -9.086 -1.080 1.00 0.00 N ATOM 1292 CA LEU A 82 1.549 -10.091 -0.097 1.00 0.00 C ATOM 1293 C LEU A 82 1.145 -11.486 -0.563 1.00 0.00 C ATOM 1294 O LEU A 82 1.759 -12.480 -0.177 1.00 0.00 O ATOM 1295 CB LEU A 82 0.906 -9.781 1.256 1.00 0.00 C ATOM 1296 CG LEU A 82 1.106 -8.348 1.753 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.065 -7.997 2.805 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.511 -8.167 2.309 1.00 0.00 C ATOM 0 H LEU A 82 0.447 -8.440 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 82 2.633 -10.066 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.163 -9.980 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.311 -10.467 2.000 1.00 0.00 H new ATOM 0 HG LEU A 82 0.981 -7.671 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.223 -6.974 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.932 -8.085 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.157 -8.680 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.635 -7.142 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.664 -8.854 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.241 -8.375 1.527 1.00 0.00 H new ATOM 1310 N ALA A 83 0.114 -11.555 -1.402 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.357 -12.831 -1.921 1.00 0.00 C ATOM 1312 C ALA A 83 0.618 -13.386 -2.947 1.00 0.00 C ATOM 1313 O ALA A 83 1.091 -14.516 -2.823 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.744 -12.679 -2.530 1.00 0.00 C ATOM 0 H ALA A 83 -0.408 -10.744 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.419 -13.536 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.081 -13.642 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.440 -12.328 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.706 -11.957 -3.346 1.00 0.00 H new ATOM 1320 N LYS A 84 0.926 -12.579 -3.953 1.00 0.00 N ATOM 1321 CA LYS A 84 1.861 -12.987 -4.993 1.00 0.00 C ATOM 1322 C LYS A 84 3.225 -13.285 -4.382 1.00 0.00 C ATOM 1323 O LYS A 84 3.954 -14.158 -4.856 1.00 0.00 O ATOM 1324 CB LYS A 84 1.984 -11.903 -6.066 1.00 0.00 C ATOM 1325 CG LYS A 84 2.421 -10.552 -5.527 1.00 0.00 C ATOM 1326 CD LYS A 84 2.243 -9.455 -6.568 1.00 0.00 C ATOM 1327 CE LYS A 84 3.570 -9.059 -7.196 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.936 -7.652 -6.875 1.00 0.00 N ATOM 0 H LYS A 84 0.544 -11.641 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 84 1.480 -13.892 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.699 -12.231 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.022 -11.790 -6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.841 -10.309 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.466 -10.601 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.560 -9.797 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.785 -8.582 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.354 -9.728 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.511 -9.182 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.846 -7.420 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.200 -7.011 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.017 -7.541 -5.844 1.00 0.00 H new ATOM 1342 N TYR A 85 3.553 -12.569 -3.310 1.00 0.00 N ATOM 1343 CA TYR A 85 4.822 -12.789 -2.631 1.00 0.00 C ATOM 1344 C TYR A 85 4.780 -14.134 -1.913 1.00 0.00 C ATOM 1345 O TYR A 85 5.673 -14.965 -2.076 1.00 0.00 O ATOM 1346 CB TYR A 85 5.110 -11.662 -1.639 1.00 0.00 C ATOM 1347 CG TYR A 85 6.565 -11.566 -1.234 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.582 -11.717 -2.173 1.00 0.00 C ATOM 1349 CD2 TYR A 85 6.923 -11.326 0.086 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.911 -11.632 -1.804 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.251 -11.239 0.462 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.240 -11.393 -0.486 1.00 0.00 C ATOM 1353 OH TYR A 85 10.563 -11.307 -0.116 1.00 0.00 O ATOM 0 H TYR A 85 2.966 -11.843 -2.899 1.00 0.00 H new ATOM 0 HA TYR A 85 5.624 -12.796 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.801 -10.714 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.503 -11.811 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.328 -11.904 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.151 -11.205 0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.688 -11.752 -2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.512 -11.051 1.493 1.00 0.00 H new ATOM 0 HH TYR A 85 10.856 -12.166 0.253 1.00 0.00 H new ATOM 1363 N ARG A 86 3.740 -14.336 -1.105 1.00 0.00 N ATOM 1364 CA ARG A 86 3.588 -15.574 -0.348 1.00 0.00 C ATOM 1365 C ARG A 86 3.649 -16.786 -1.269 1.00 0.00 C ATOM 1366 O ARG A 86 4.278 -17.792 -0.941 1.00 0.00 O ATOM 1367 CB ARG A 86 2.260 -15.570 0.411 1.00 0.00 C ATOM 1368 CG ARG A 86 2.339 -14.894 1.769 1.00 0.00 C ATOM 1369 CD ARG A 86 1.801 -15.790 2.874 1.00 0.00 C ATOM 1370 NE ARG A 86 0.356 -15.974 2.772 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.307 -16.980 3.340 1.00 0.00 C ATOM 1372 NH1 ARG A 86 0.342 -17.891 4.055 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -1.622 -17.073 3.194 1.00 0.00 N ATOM 0 H ARG A 86 2.992 -13.658 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 86 4.410 -15.637 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.507 -15.065 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.924 -16.598 0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.374 -14.631 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.772 -13.963 1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.295 -16.761 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.044 -15.356 3.844 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.178 -15.291 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.353 -17.823 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.170 -18.659 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.125 -16.374 2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.130 -17.843 3.629 1.00 0.00 H new ATOM 1387 N ASP A 87 3.009 -16.686 -2.429 1.00 0.00 N ATOM 1388 CA ASP A 87 3.018 -17.778 -3.393 1.00 0.00 C ATOM 1389 C ASP A 87 4.416 -17.937 -3.982 1.00 0.00 C ATOM 1390 O ASP A 87 4.882 -19.051 -4.222 1.00 0.00 O ATOM 1391 CB ASP A 87 2.001 -17.515 -4.506 1.00 0.00 C ATOM 1392 CG ASP A 87 1.207 -18.756 -4.867 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.352 -19.171 -4.057 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.441 -19.314 -5.960 1.00 0.00 O ATOM 0 H ASP A 87 2.481 -15.864 -2.723 1.00 0.00 H new ATOM 0 HA ASP A 87 2.740 -18.701 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.316 -16.728 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.521 -17.149 -5.391 1.00 0.00 H new ATOM 1399 N PHE A 88 5.079 -16.807 -4.203 1.00 0.00 N ATOM 1400 CA PHE A 88 6.430 -16.792 -4.754 1.00 0.00 C ATOM 1401 C PHE A 88 7.411 -17.480 -3.806 1.00 0.00 C ATOM 1402 O PHE A 88 8.265 -18.255 -4.233 1.00 0.00 O ATOM 1403 CB PHE A 88 6.857 -15.340 -5.007 1.00 0.00 C ATOM 1404 CG PHE A 88 8.322 -15.156 -5.307 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.857 -15.578 -6.513 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.158 -14.544 -4.385 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.197 -15.394 -6.792 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.496 -14.354 -4.662 1.00 0.00 C ATOM 1409 CZ PHE A 88 11.016 -14.780 -5.865 1.00 0.00 C ATOM 0 H PHE A 88 4.699 -15.881 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 88 6.436 -17.341 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.277 -14.946 -5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.602 -14.743 -4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.220 -16.056 -7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.757 -14.212 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.604 -15.730 -7.734 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.135 -13.872 -3.937 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.064 -14.634 -6.083 1.00 0.00 H new ATOM 1419 N LEU A 89 7.280 -17.185 -2.518 1.00 0.00 N ATOM 1420 CA LEU A 89 8.153 -17.766 -1.503 1.00 0.00 C ATOM 1421 C LEU A 89 7.747 -19.199 -1.158 1.00 0.00 C ATOM 1422 O LEU A 89 8.598 -20.074 -1.002 1.00 0.00 O ATOM 1423 CB LEU A 89 8.134 -16.906 -0.238 1.00 0.00 C ATOM 1424 CG LEU A 89 9.460 -16.844 0.523 1.00 0.00 C ATOM 1425 CD1 LEU A 89 10.204 -15.559 0.196 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.222 -16.957 2.022 1.00 0.00 C ATOM 0 H LEU A 89 6.576 -16.545 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 89 9.162 -17.792 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.841 -15.892 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.365 -17.290 0.433 1.00 0.00 H new ATOM 0 HG LEU A 89 10.076 -17.687 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.144 -15.533 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.409 -15.519 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.593 -14.702 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.176 -16.911 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.586 -16.135 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.732 -17.906 2.242 1.00 0.00 H new ATOM 1438 N LYS A 90 6.445 -19.426 -1.023 1.00 0.00 N ATOM 1439 CA LYS A 90 5.922 -20.747 -0.677 1.00 0.00 C ATOM 1440 C LYS A 90 6.059 -21.743 -1.828 1.00 0.00 C ATOM 1441 O LYS A 90 6.226 -22.941 -1.602 1.00 0.00 O ATOM 1442 CB LYS A 90 4.454 -20.637 -0.260 1.00 0.00 C ATOM 1443 CG LYS A 90 3.941 -21.859 0.484 1.00 0.00 C ATOM 1444 CD LYS A 90 2.487 -22.148 0.145 1.00 0.00 C ATOM 1445 CE LYS A 90 2.369 -23.080 -1.050 1.00 0.00 C ATOM 1446 NZ LYS A 90 2.689 -24.489 -0.690 1.00 0.00 N ATOM 0 H LYS A 90 5.728 -18.711 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 90 6.517 -21.123 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.329 -19.758 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.843 -20.480 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.554 -22.724 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.041 -21.701 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.993 -22.596 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.969 -21.213 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.357 -23.029 -1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.042 -22.745 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.420 -25.117 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.709 -24.578 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.161 -24.757 0.165 1.00 0.00 H new ATOM 1460 N SER A 91 5.966 -21.250 -3.059 1.00 0.00 N ATOM 1461 CA SER A 91 6.057 -22.111 -4.236 1.00 0.00 C ATOM 1462 C SER A 91 7.492 -22.548 -4.532 1.00 0.00 C ATOM 1463 O SER A 91 7.742 -23.222 -5.532 1.00 0.00 O ATOM 1464 CB SER A 91 5.474 -21.398 -5.457 1.00 0.00 C ATOM 1465 OG SER A 91 4.088 -21.155 -5.292 1.00 0.00 O ATOM 0 H SER A 91 5.828 -20.261 -3.269 1.00 0.00 H new ATOM 0 HA SER A 91 5.479 -23.009 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.996 -20.454 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.637 -22.004 -6.348 1.00 0.00 H new ATOM 0 HG SER A 91 3.959 -20.303 -4.826 1.00 0.00 H new