USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 61 SER OG : rot -52:sc= 1.48 USER MOD Set 1.2: A 82 TYR OH : rot 35:sc= 0.381 USER MOD Single : A 12 ASN :FLIP amide:sc=-0.000803 F(o=-0.97,f=-0.0008) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 27 SER OG : rot -75:sc= -0.0869 USER MOD Single : A 34 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0932) USER MOD Single : A 39 MET CE :methyl 157:sc= -0.0906 (180deg=-0.72) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -3.94! C(o=-6.7!,f=-3.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -114:sc= -1.94 (180deg=-6.21!) USER MOD Single : A 69 ASN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 71 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.16) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 34:sc= 0.514 USER MOD Single : A 81 SER OG : rot 39:sc= 0.887 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.567 8.105 0.991 1.00 0.00 N ATOM 60 CA GLY A 7 -0.574 7.318 1.700 1.00 0.00 C ATOM 61 C GLY A 7 -1.159 6.584 2.891 1.00 0.00 C ATOM 62 O GLY A 7 -2.014 7.117 3.598 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.130 6.596 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.229 7.972 2.039 1.00 0.00 H new ATOM 66 N ILE A 8 -0.698 5.357 3.111 1.00 0.00 N ATOM 67 CA ILE A 8 -1.181 4.549 4.224 1.00 0.00 C ATOM 68 C ILE A 8 -0.022 3.927 4.996 1.00 0.00 C ATOM 69 O ILE A 8 1.000 3.563 4.415 1.00 0.00 O ATOM 70 CB ILE A 8 -2.121 3.429 3.740 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.417 2.558 2.698 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.400 4.021 3.167 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.919 1.132 2.664 1.00 0.00 C ATOM 0 H ILE A 8 0.009 4.901 2.534 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.735 5.218 4.882 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.384 2.802 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.550 3.005 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.347 2.553 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.054 3.217 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.908 4.603 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.156 4.668 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.375 0.573 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.761 0.667 3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.983 1.126 2.428 1.00 0.00 H new ATOM 85 N PHE A 9 -0.190 3.807 6.309 1.00 0.00 N ATOM 86 CA PHE A 9 0.842 3.228 7.161 1.00 0.00 C ATOM 87 C PHE A 9 0.539 1.764 7.464 1.00 0.00 C ATOM 88 O PHE A 9 -0.605 1.401 7.743 1.00 0.00 O ATOM 89 CB PHE A 9 0.957 4.017 8.467 1.00 0.00 C ATOM 90 CG PHE A 9 2.133 3.613 9.310 1.00 0.00 C ATOM 91 CD1 PHE A 9 2.177 2.363 9.906 1.00 0.00 C ATOM 92 CD2 PHE A 9 3.193 4.483 9.506 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.257 1.989 10.683 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.276 4.114 10.282 1.00 0.00 C ATOM 95 CZ PHE A 9 4.308 2.865 10.870 1.00 0.00 C ATOM 0 H PHE A 9 -1.030 4.103 6.806 1.00 0.00 H new ATOM 0 HA PHE A 9 1.791 3.282 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.034 5.079 8.235 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.043 3.883 9.045 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.358 1.673 9.762 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.173 5.461 9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.279 1.012 11.144 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.096 4.802 10.428 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.154 2.574 11.475 1.00 0.00 H new ATOM 105 N ILE A 10 1.570 0.928 7.407 1.00 0.00 N ATOM 106 CA ILE A 10 1.414 -0.496 7.675 1.00 0.00 C ATOM 107 C ILE A 10 2.460 -0.986 8.671 1.00 0.00 C ATOM 108 O ILE A 10 3.644 -0.676 8.545 1.00 0.00 O ATOM 109 CB ILE A 10 1.522 -1.328 6.383 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.549 -0.800 5.328 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.251 -2.796 6.674 1.00 0.00 C ATOM 112 CD1 ILE A 10 1.027 -1.007 3.908 1.00 0.00 C ATOM 0 H ILE A 10 2.522 1.212 7.178 1.00 0.00 H new ATOM 0 HA ILE A 10 0.420 -0.629 8.101 1.00 0.00 H new ATOM 0 HB ILE A 10 2.536 -1.236 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.414 -1.294 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.386 0.264 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.331 -3.371 5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.980 -3.165 7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.247 -2.906 7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.287 -0.609 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.976 -0.490 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.163 -2.072 3.722 1.00 0.00 H new ATOM 124 N GLY A 11 2.015 -1.754 9.660 1.00 0.00 N ATOM 125 CA GLY A 11 2.925 -2.276 10.662 1.00 0.00 C ATOM 126 C GLY A 11 2.755 -3.766 10.881 1.00 0.00 C ATOM 127 O GLY A 11 1.734 -4.342 10.508 1.00 0.00 O ATOM 0 H GLY A 11 1.039 -2.024 9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.951 -2.072 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.762 -1.753 11.604 1.00 0.00 H new ATOM 131 N ASN A 12 3.759 -4.393 11.485 1.00 0.00 N ATOM 132 CA ASN A 12 3.717 -5.826 11.750 1.00 0.00 C ATOM 133 C ASN A 12 3.815 -6.622 10.452 1.00 0.00 C ATOM 134 O ASN A 12 2.975 -7.478 10.171 1.00 0.00 O ATOM 135 CB ASN A 12 2.428 -6.191 12.489 1.00 0.00 C ATOM 136 CG ASN A 12 2.605 -7.389 13.402 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.571 -8.584 12.823 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 2.771 -7.242 14.613 1.00 0.00 N flip ATOM 0 H ASN A 12 4.612 -3.931 11.800 1.00 0.00 H new ATOM 0 HA ASN A 12 4.572 -6.080 12.377 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.095 -5.336 13.077 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.644 -6.404 11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.790 -6.305 15.015 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.889 -8.057 15.214 1.00 0.00 H new ATOM 145 N LEU A 13 4.847 -6.336 9.666 1.00 0.00 N ATOM 146 CA LEU A 13 5.056 -7.026 8.397 1.00 0.00 C ATOM 147 C LEU A 13 6.185 -8.045 8.512 1.00 0.00 C ATOM 148 O LEU A 13 7.333 -7.688 8.775 1.00 0.00 O ATOM 149 CB LEU A 13 5.374 -6.017 7.292 1.00 0.00 C ATOM 150 CG LEU A 13 4.181 -5.256 6.714 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.633 -3.938 6.104 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.458 -6.105 5.679 1.00 0.00 C ATOM 0 H LEU A 13 5.552 -5.632 9.884 1.00 0.00 H new ATOM 0 HA LEU A 13 4.138 -7.556 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.087 -5.291 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.872 -6.545 6.478 1.00 0.00 H new ATOM 0 HG LEU A 13 3.486 -5.038 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.770 -3.410 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.105 -3.325 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.348 -4.133 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.612 -5.547 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.144 -6.355 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.100 -7.022 6.147 1.00 0.00 H new ATOM 164 N ASP A 14 5.851 -9.315 8.310 1.00 0.00 N ATOM 165 CA ASP A 14 6.837 -10.386 8.387 1.00 0.00 C ATOM 166 C ASP A 14 8.135 -9.981 7.696 1.00 0.00 C ATOM 167 O ASP A 14 8.133 -9.354 6.637 1.00 0.00 O ATOM 168 CB ASP A 14 6.284 -11.664 7.754 1.00 0.00 C ATOM 169 CG ASP A 14 7.076 -12.895 8.148 1.00 0.00 C ATOM 170 OD1 ASP A 14 8.194 -13.075 7.621 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.578 -13.680 8.983 1.00 0.00 O ATOM 0 H ASP A 14 4.905 -9.628 8.092 1.00 0.00 H new ATOM 0 HA ASP A 14 7.051 -10.574 9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.244 -11.794 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.293 -11.562 6.669 1.00 0.00 H new ATOM 176 N PRO A 15 9.271 -10.347 8.308 1.00 0.00 N ATOM 177 CA PRO A 15 10.598 -10.031 7.769 1.00 0.00 C ATOM 178 C PRO A 15 10.911 -10.820 6.502 1.00 0.00 C ATOM 179 O PRO A 15 11.984 -10.672 5.918 1.00 0.00 O ATOM 180 CB PRO A 15 11.546 -10.437 8.900 1.00 0.00 C ATOM 181 CG PRO A 15 10.801 -11.477 9.664 1.00 0.00 C ATOM 182 CD PRO A 15 9.349 -11.097 9.573 1.00 0.00 C ATOM 0 HA PRO A 15 10.682 -8.983 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.484 -10.830 8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.796 -9.585 9.532 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.972 -12.468 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.131 -11.510 10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.704 -11.975 9.560 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.039 -10.487 10.422 1.00 0.00 H new ATOM 190 N GLU A 16 9.967 -11.657 6.083 1.00 0.00 N ATOM 191 CA GLU A 16 10.145 -12.469 4.884 1.00 0.00 C ATOM 192 C GLU A 16 9.442 -11.834 3.688 1.00 0.00 C ATOM 193 O GLU A 16 9.593 -12.288 2.553 1.00 0.00 O ATOM 194 CB GLU A 16 9.606 -13.882 5.115 1.00 0.00 C ATOM 195 CG GLU A 16 10.242 -14.590 6.300 1.00 0.00 C ATOM 196 CD GLU A 16 11.704 -14.918 6.068 1.00 0.00 C ATOM 197 OE1 GLU A 16 11.985 -15.913 5.368 1.00 0.00 O ATOM 198 OE2 GLU A 16 12.566 -14.179 6.587 1.00 0.00 O ATOM 0 H GLU A 16 9.073 -11.791 6.555 1.00 0.00 H new ATOM 0 HA GLU A 16 11.212 -12.525 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.528 -13.830 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.771 -14.476 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.151 -13.961 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.695 -15.510 6.505 1.00 0.00 H new ATOM 205 N ILE A 17 8.673 -10.782 3.950 1.00 0.00 N ATOM 206 CA ILE A 17 7.948 -10.084 2.896 1.00 0.00 C ATOM 207 C ILE A 17 8.832 -9.045 2.216 1.00 0.00 C ATOM 208 O ILE A 17 9.693 -8.435 2.851 1.00 0.00 O ATOM 209 CB ILE A 17 6.687 -9.390 3.445 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.814 -10.394 4.200 1.00 0.00 C ATOM 211 CG2 ILE A 17 5.904 -8.744 2.312 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.884 -9.750 5.204 1.00 0.00 C ATOM 0 H ILE A 17 8.536 -10.395 4.884 1.00 0.00 H new ATOM 0 HA ILE A 17 7.650 -10.837 2.166 1.00 0.00 H new ATOM 0 HB ILE A 17 6.993 -8.609 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.223 -10.962 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.457 -11.106 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.016 -8.257 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.529 -8.003 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.605 -9.508 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.296 -10.521 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.469 -9.205 5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.216 -9.059 4.690 1.00 0.00 H new ATOM 224 N ASP A 18 8.613 -8.846 0.921 1.00 0.00 N ATOM 225 CA ASP A 18 9.387 -7.878 0.153 1.00 0.00 C ATOM 226 C ASP A 18 8.468 -6.925 -0.604 1.00 0.00 C ATOM 227 O ASP A 18 7.267 -7.166 -0.719 1.00 0.00 O ATOM 228 CB ASP A 18 10.316 -8.597 -0.826 1.00 0.00 C ATOM 229 CG ASP A 18 11.222 -7.639 -1.574 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.679 -6.653 -0.959 1.00 0.00 O ATOM 231 OD2 ASP A 18 11.474 -7.874 -2.775 1.00 0.00 O ATOM 0 H ASP A 18 7.905 -9.343 0.381 1.00 0.00 H new ATOM 0 HA ASP A 18 9.989 -7.295 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.925 -9.318 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.718 -9.161 -1.542 1.00 0.00 H new ATOM 236 N GLU A 19 9.042 -5.841 -1.118 1.00 0.00 N ATOM 237 CA GLU A 19 8.273 -4.851 -1.862 1.00 0.00 C ATOM 238 C GLU A 19 7.400 -5.522 -2.919 1.00 0.00 C ATOM 239 O GLU A 19 6.217 -5.208 -3.055 1.00 0.00 O ATOM 240 CB GLU A 19 9.209 -3.839 -2.526 1.00 0.00 C ATOM 241 CG GLU A 19 9.959 -2.964 -1.536 1.00 0.00 C ATOM 242 CD GLU A 19 11.001 -2.087 -2.204 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.879 -2.637 -2.900 1.00 0.00 O ATOM 244 OE2 GLU A 19 10.937 -0.852 -2.031 1.00 0.00 O ATOM 0 H GLU A 19 10.036 -5.627 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 19 7.625 -4.329 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.930 -4.374 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.628 -3.202 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.248 -2.334 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.444 -3.597 -0.793 1.00 0.00 H new ATOM 251 N LYS A 20 7.993 -6.447 -3.667 1.00 0.00 N ATOM 252 CA LYS A 20 7.272 -7.164 -4.711 1.00 0.00 C ATOM 253 C LYS A 20 5.961 -7.732 -4.177 1.00 0.00 C ATOM 254 O LYS A 20 4.883 -7.409 -4.678 1.00 0.00 O ATOM 255 CB LYS A 20 8.138 -8.294 -5.273 1.00 0.00 C ATOM 256 CG LYS A 20 9.338 -7.805 -6.066 1.00 0.00 C ATOM 257 CD LYS A 20 9.811 -8.849 -7.063 1.00 0.00 C ATOM 258 CE LYS A 20 11.296 -8.703 -7.360 1.00 0.00 C ATOM 259 NZ LYS A 20 11.748 -9.660 -8.407 1.00 0.00 N ATOM 0 H LYS A 20 8.972 -6.717 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 20 7.043 -6.458 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.487 -8.917 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.524 -8.927 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.077 -6.888 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.151 -7.559 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.614 -9.846 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.243 -8.754 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.503 -7.684 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.867 -8.868 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.765 -9.529 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.574 -10.634 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.221 -9.486 -9.287 1.00 0.00 H new ATOM 273 N LEU A 21 6.060 -8.577 -3.157 1.00 0.00 N ATOM 274 CA LEU A 21 4.881 -9.188 -2.552 1.00 0.00 C ATOM 275 C LEU A 21 3.856 -8.128 -2.165 1.00 0.00 C ATOM 276 O LEU A 21 2.784 -8.037 -2.765 1.00 0.00 O ATOM 277 CB LEU A 21 5.280 -10.003 -1.321 1.00 0.00 C ATOM 278 CG LEU A 21 4.272 -11.055 -0.856 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.207 -12.206 -1.847 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.632 -11.563 0.532 1.00 0.00 C ATOM 0 H LEU A 21 6.944 -8.855 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 21 4.428 -9.852 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.225 -10.503 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.461 -9.313 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 21 3.288 -10.590 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.485 -12.945 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.900 -11.829 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.190 -12.670 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.904 -12.311 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.625 -12.011 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.625 -10.732 1.237 1.00 0.00 H new ATOM 292 N LEU A 22 4.192 -7.326 -1.160 1.00 0.00 N ATOM 293 CA LEU A 22 3.302 -6.269 -0.694 1.00 0.00 C ATOM 294 C LEU A 22 2.560 -5.627 -1.862 1.00 0.00 C ATOM 295 O LEU A 22 1.347 -5.423 -1.803 1.00 0.00 O ATOM 296 CB LEU A 22 4.095 -5.206 0.068 1.00 0.00 C ATOM 297 CG LEU A 22 4.544 -5.586 1.479 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.698 -4.703 1.928 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.380 -5.482 2.455 1.00 0.00 C ATOM 0 H LEU A 22 5.075 -7.388 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 22 2.568 -6.716 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.979 -4.952 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.486 -4.304 0.133 1.00 0.00 H new ATOM 0 HG LEU A 22 4.889 -6.620 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.004 -4.988 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.538 -4.827 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.380 -3.660 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.718 -5.756 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.005 -4.459 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.583 -6.157 2.144 1.00 0.00 H new ATOM 311 N TYR A 23 3.295 -5.314 -2.922 1.00 0.00 N ATOM 312 CA TYR A 23 2.707 -4.695 -4.104 1.00 0.00 C ATOM 313 C TYR A 23 1.478 -5.469 -4.570 1.00 0.00 C ATOM 314 O TYR A 23 0.390 -4.907 -4.703 1.00 0.00 O ATOM 315 CB TYR A 23 3.736 -4.623 -5.233 1.00 0.00 C ATOM 316 CG TYR A 23 3.311 -3.740 -6.385 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.303 -4.137 -7.255 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.917 -2.509 -6.603 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.912 -3.334 -8.309 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.532 -1.699 -7.653 1.00 0.00 C ATOM 321 CZ TYR A 23 2.529 -2.116 -8.503 1.00 0.00 C ATOM 322 OH TYR A 23 2.142 -1.312 -9.552 1.00 0.00 O ATOM 0 H TYR A 23 4.299 -5.479 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 23 2.398 -3.684 -3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.679 -4.252 -4.831 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.923 -5.629 -5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.817 -5.090 -7.105 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.703 -2.180 -5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.128 -3.658 -8.977 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.013 -0.745 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 23 2.674 -0.489 -9.547 1.00 0.00 H new ATOM 332 N ASP A 24 1.659 -6.762 -4.815 1.00 0.00 N ATOM 333 CA ASP A 24 0.565 -7.615 -5.264 1.00 0.00 C ATOM 334 C ASP A 24 -0.444 -7.841 -4.143 1.00 0.00 C ATOM 335 O ASP A 24 -1.647 -7.648 -4.327 1.00 0.00 O ATOM 336 CB ASP A 24 1.107 -8.958 -5.757 1.00 0.00 C ATOM 337 CG ASP A 24 0.051 -9.785 -6.463 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.414 -9.359 -7.541 1.00 0.00 O ATOM 339 OD2 ASP A 24 -0.310 -10.859 -5.938 1.00 0.00 O ATOM 0 H ASP A 24 2.553 -7.242 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 24 0.059 -7.111 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.941 -8.782 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.499 -9.521 -4.910 1.00 0.00 H new ATOM 344 N THR A 25 0.052 -8.251 -2.980 1.00 0.00 N ATOM 345 CA THR A 25 -0.805 -8.505 -1.829 1.00 0.00 C ATOM 346 C THR A 25 -1.836 -7.395 -1.657 1.00 0.00 C ATOM 347 O THR A 25 -2.969 -7.646 -1.245 1.00 0.00 O ATOM 348 CB THR A 25 0.017 -8.632 -0.533 1.00 0.00 C ATOM 349 OG1 THR A 25 0.947 -9.715 -0.647 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.893 -8.862 0.664 1.00 0.00 C ATOM 0 H THR A 25 1.044 -8.414 -2.810 1.00 0.00 H new ATOM 0 HA THR A 25 -1.318 -9.448 -2.018 1.00 0.00 H new ATOM 0 HB THR A 25 0.562 -7.700 -0.381 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.467 -9.788 0.180 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.290 -8.949 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.580 -8.022 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.462 -9.780 0.518 1.00 0.00 H new ATOM 358 N PHE A 26 -1.437 -6.168 -1.975 1.00 0.00 N ATOM 359 CA PHE A 26 -2.328 -5.020 -1.855 1.00 0.00 C ATOM 360 C PHE A 26 -3.037 -4.741 -3.177 1.00 0.00 C ATOM 361 O PHE A 26 -4.230 -4.438 -3.201 1.00 0.00 O ATOM 362 CB PHE A 26 -1.542 -3.783 -1.414 1.00 0.00 C ATOM 363 CG PHE A 26 -1.247 -3.753 0.058 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.521 -4.772 0.653 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.697 -2.707 0.848 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.247 -4.748 2.008 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.426 -2.677 2.203 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.701 -3.700 2.784 1.00 0.00 C ATOM 0 H PHE A 26 -0.503 -5.943 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.081 -5.252 -1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.603 -3.744 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.106 -2.890 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.165 -5.595 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.266 -1.906 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.321 -5.548 2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.780 -1.855 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.490 -3.680 3.843 1.00 0.00 H new ATOM 378 N SER A 27 -2.294 -4.845 -4.274 1.00 0.00 N ATOM 379 CA SER A 27 -2.850 -4.600 -5.600 1.00 0.00 C ATOM 380 C SER A 27 -4.306 -5.050 -5.670 1.00 0.00 C ATOM 381 O SER A 27 -5.182 -4.292 -6.087 1.00 0.00 O ATOM 382 CB SER A 27 -2.028 -5.330 -6.663 1.00 0.00 C ATOM 383 OG SER A 27 -2.572 -6.608 -6.941 1.00 0.00 O ATOM 0 H SER A 27 -1.306 -5.097 -4.271 1.00 0.00 H new ATOM 0 HA SER A 27 -2.809 -3.528 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.001 -4.737 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.998 -5.436 -6.321 1.00 0.00 H new ATOM 0 HG SER A 27 -2.358 -7.221 -6.207 1.00 0.00 H new ATOM 389 N ALA A 28 -4.557 -6.288 -5.257 1.00 0.00 N ATOM 390 CA ALA A 28 -5.907 -6.839 -5.271 1.00 0.00 C ATOM 391 C ALA A 28 -6.934 -5.786 -4.867 1.00 0.00 C ATOM 392 O ALA A 28 -7.929 -5.577 -5.562 1.00 0.00 O ATOM 393 CB ALA A 28 -5.994 -8.045 -4.347 1.00 0.00 C ATOM 0 H ALA A 28 -3.844 -6.928 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.133 -7.157 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.007 -8.446 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.294 -8.811 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.743 -7.743 -3.330 1.00 0.00 H new ATOM 399 N PHE A 29 -6.686 -5.126 -3.741 1.00 0.00 N ATOM 400 CA PHE A 29 -7.591 -4.096 -3.244 1.00 0.00 C ATOM 401 C PHE A 29 -7.655 -2.917 -4.210 1.00 0.00 C ATOM 402 O PHE A 29 -8.683 -2.672 -4.841 1.00 0.00 O ATOM 403 CB PHE A 29 -7.140 -3.615 -1.863 1.00 0.00 C ATOM 404 CG PHE A 29 -7.108 -4.704 -0.830 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.285 -5.230 -0.321 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.901 -5.203 -0.367 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.258 -6.232 0.630 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.868 -6.205 0.585 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.048 -6.721 1.083 1.00 0.00 C ATOM 0 H PHE A 29 -5.866 -5.286 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.587 -4.531 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.146 -3.176 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.811 -2.825 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.234 -4.852 -0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.975 -4.804 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.182 -6.633 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.920 -6.584 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.025 -7.505 1.825 1.00 0.00 H new ATOM 419 N GLY A 30 -6.548 -2.188 -4.320 1.00 0.00 N ATOM 420 CA GLY A 30 -6.499 -1.043 -5.210 1.00 0.00 C ATOM 421 C GLY A 30 -5.183 -0.943 -5.955 1.00 0.00 C ATOM 422 O GLY A 30 -4.265 -1.728 -5.716 1.00 0.00 O ATOM 0 H GLY A 30 -5.685 -2.370 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.316 -1.110 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.657 -0.132 -4.633 1.00 0.00 H new ATOM 426 N VAL A 31 -5.089 0.024 -6.862 1.00 0.00 N ATOM 427 CA VAL A 31 -3.876 0.223 -7.645 1.00 0.00 C ATOM 428 C VAL A 31 -2.852 1.046 -6.872 1.00 0.00 C ATOM 429 O VAL A 31 -3.174 2.099 -6.322 1.00 0.00 O ATOM 430 CB VAL A 31 -4.179 0.926 -8.982 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.892 1.208 -9.741 1.00 0.00 C ATOM 432 CG2 VAL A 31 -5.130 0.086 -9.821 1.00 0.00 C ATOM 0 H VAL A 31 -5.839 0.682 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.465 -0.766 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.663 1.879 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.126 1.705 -10.683 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.249 1.852 -9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.376 0.269 -9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.333 0.597 -10.762 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.675 -0.883 -10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.064 -0.059 -9.277 1.00 0.00 H new ATOM 442 N ILE A 32 -1.616 0.558 -6.834 1.00 0.00 N ATOM 443 CA ILE A 32 -0.544 1.249 -6.129 1.00 0.00 C ATOM 444 C ILE A 32 0.062 2.350 -6.994 1.00 0.00 C ATOM 445 O ILE A 32 0.133 2.225 -8.217 1.00 0.00 O ATOM 446 CB ILE A 32 0.570 0.275 -5.703 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.051 -0.693 -4.638 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.777 1.043 -5.186 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.868 -1.961 -4.524 1.00 0.00 C ATOM 0 H ILE A 32 -1.333 -0.313 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.987 1.692 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 32 0.879 -0.304 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.043 -0.188 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.981 -0.955 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.555 0.340 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.157 1.695 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.484 1.645 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.442 -2.600 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.855 -2.489 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.896 -1.709 -4.262 1.00 0.00 H new ATOM 461 N LEU A 33 0.500 3.426 -6.350 1.00 0.00 N ATOM 462 CA LEU A 33 1.103 4.549 -7.060 1.00 0.00 C ATOM 463 C LEU A 33 2.528 4.219 -7.493 1.00 0.00 C ATOM 464 O LEU A 33 2.897 4.419 -8.649 1.00 0.00 O ATOM 465 CB LEU A 33 1.103 5.797 -6.174 1.00 0.00 C ATOM 466 CG LEU A 33 -0.188 6.616 -6.169 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.034 7.848 -5.290 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.573 7.014 -7.586 1.00 0.00 C ATOM 0 H LEU A 33 0.449 3.545 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 33 0.508 4.744 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.320 5.492 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.919 6.445 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.986 5.998 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.962 8.419 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.194 7.541 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.777 8.468 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.494 7.596 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.224 7.614 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.725 6.118 -8.187 1.00 0.00 H new ATOM 480 N GLN A 34 3.322 3.710 -6.556 1.00 0.00 N ATOM 481 CA GLN A 34 4.706 3.350 -6.842 1.00 0.00 C ATOM 482 C GLN A 34 5.221 2.327 -5.835 1.00 0.00 C ATOM 483 O GLN A 34 4.600 2.093 -4.797 1.00 0.00 O ATOM 484 CB GLN A 34 5.593 4.595 -6.822 1.00 0.00 C ATOM 485 CG GLN A 34 5.178 5.655 -7.829 1.00 0.00 C ATOM 486 CD GLN A 34 6.192 6.775 -7.950 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.354 6.620 -7.572 1.00 0.00 O ATOM 488 NE2 GLN A 34 5.758 7.913 -8.478 1.00 0.00 N ATOM 0 H GLN A 34 3.031 3.538 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 34 4.742 2.904 -7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.574 5.029 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.623 4.300 -7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.039 5.189 -8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.215 6.072 -7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.787 7.998 -8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.396 8.702 -8.584 1.00 0.00 H new ATOM 497 N THR A 35 6.362 1.719 -6.147 1.00 0.00 N ATOM 498 CA THR A 35 6.960 0.720 -5.270 1.00 0.00 C ATOM 499 C THR A 35 6.830 1.125 -3.806 1.00 0.00 C ATOM 500 O THR A 35 7.118 2.259 -3.423 1.00 0.00 O ATOM 501 CB THR A 35 8.449 0.503 -5.601 1.00 0.00 C ATOM 502 OG1 THR A 35 8.579 -0.169 -6.859 1.00 0.00 O ATOM 503 CG2 THR A 35 9.131 -0.312 -4.512 1.00 0.00 C ATOM 0 H THR A 35 6.890 1.901 -7.000 1.00 0.00 H new ATOM 0 HA THR A 35 6.419 -0.211 -5.435 1.00 0.00 H new ATOM 0 HB THR A 35 8.932 1.479 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.528 -0.301 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.181 -0.453 -4.767 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.056 0.216 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.645 -1.284 -4.427 1.00 0.00 H new ATOM 511 N PRO A 36 6.387 0.177 -2.967 1.00 0.00 N ATOM 512 CA PRO A 36 6.210 0.412 -1.531 1.00 0.00 C ATOM 513 C PRO A 36 7.539 0.574 -0.802 1.00 0.00 C ATOM 514 O PRO A 36 8.516 -0.109 -1.111 1.00 0.00 O ATOM 515 CB PRO A 36 5.487 -0.850 -1.052 1.00 0.00 C ATOM 516 CG PRO A 36 5.868 -1.901 -2.036 1.00 0.00 C ATOM 517 CD PRO A 36 6.024 -1.196 -3.355 1.00 0.00 C ATOM 0 HA PRO A 36 5.664 1.334 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.794 -1.123 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.407 -0.703 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.796 -2.391 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.103 -2.676 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.797 -1.658 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.101 -1.219 -3.935 1.00 0.00 H new ATOM 525 N LYS A 37 7.570 1.481 0.169 1.00 0.00 N ATOM 526 CA LYS A 37 8.779 1.732 0.944 1.00 0.00 C ATOM 527 C LYS A 37 8.783 0.908 2.228 1.00 0.00 C ATOM 528 O LYS A 37 7.805 0.904 2.977 1.00 0.00 O ATOM 529 CB LYS A 37 8.894 3.220 1.281 1.00 0.00 C ATOM 530 CG LYS A 37 8.974 4.116 0.057 1.00 0.00 C ATOM 531 CD LYS A 37 9.610 5.456 0.387 1.00 0.00 C ATOM 532 CE LYS A 37 8.575 6.460 0.870 1.00 0.00 C ATOM 533 NZ LYS A 37 8.387 6.396 2.346 1.00 0.00 N ATOM 0 H LYS A 37 6.771 2.055 0.438 1.00 0.00 H new ATOM 0 HA LYS A 37 9.636 1.435 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.034 3.516 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.781 3.378 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.553 3.619 -0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.973 4.276 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.372 5.319 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.114 5.848 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.885 7.466 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.624 6.268 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.372 6.429 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.792 5.510 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.866 7.204 2.792 1.00 0.00 H new ATOM 547 N ILE A 38 9.887 0.213 2.476 1.00 0.00 N ATOM 548 CA ILE A 38 10.018 -0.612 3.671 1.00 0.00 C ATOM 549 C ILE A 38 11.186 -0.148 4.534 1.00 0.00 C ATOM 550 O ILE A 38 12.323 -0.074 4.070 1.00 0.00 O ATOM 551 CB ILE A 38 10.219 -2.096 3.311 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.050 -2.600 2.462 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.363 -2.933 4.573 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.275 -3.979 1.881 1.00 0.00 C ATOM 0 H ILE A 38 10.704 0.204 1.866 1.00 0.00 H new ATOM 0 HA ILE A 38 9.090 -0.505 4.232 1.00 0.00 H new ATOM 0 HB ILE A 38 11.135 -2.192 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.148 -2.615 3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.872 -1.896 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.504 -3.979 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.225 -2.586 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.463 -2.834 5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.406 -4.272 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.159 -3.965 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.422 -4.695 2.690 1.00 0.00 H new ATOM 566 N MET A 39 10.897 0.163 5.794 1.00 0.00 N ATOM 567 CA MET A 39 11.924 0.617 6.724 1.00 0.00 C ATOM 568 C MET A 39 12.785 -0.550 7.195 1.00 0.00 C ATOM 569 O MET A 39 12.268 -1.582 7.625 1.00 0.00 O ATOM 570 CB MET A 39 11.282 1.311 7.927 1.00 0.00 C ATOM 571 CG MET A 39 10.930 2.768 7.672 1.00 0.00 C ATOM 572 SD MET A 39 9.269 2.974 7.001 1.00 0.00 S ATOM 573 CE MET A 39 9.572 4.181 5.713 1.00 0.00 C ATOM 0 H MET A 39 9.960 0.109 6.194 1.00 0.00 H new ATOM 0 HA MET A 39 12.563 1.329 6.202 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.378 0.771 8.208 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.964 1.254 8.776 1.00 0.00 H new ATOM 0 HG2 MET A 39 11.013 3.326 8.604 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.654 3.197 6.979 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.785 4.117 4.962 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.580 5.181 6.146 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.536 3.980 5.246 1.00 0.00 H new ATOM 691 N LYS A 48 12.322 -3.288 9.809 1.00 0.00 N ATOM 692 CA LYS A 48 11.899 -2.726 11.085 1.00 0.00 C ATOM 693 C LYS A 48 10.560 -3.313 11.522 1.00 0.00 C ATOM 694 O LYS A 48 10.360 -3.622 12.695 1.00 0.00 O ATOM 695 CB LYS A 48 11.791 -1.202 10.984 1.00 0.00 C ATOM 696 CG LYS A 48 13.088 -0.478 11.303 1.00 0.00 C ATOM 697 CD LYS A 48 13.351 -0.438 12.799 1.00 0.00 C ATOM 698 CE LYS A 48 14.765 0.032 13.104 1.00 0.00 C ATOM 699 NZ LYS A 48 15.190 -0.345 14.480 1.00 0.00 N ATOM 0 HA LYS A 48 12.649 -2.983 11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.474 -0.935 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.014 -0.855 11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.917 -0.976 10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.043 0.539 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.634 0.229 13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.197 -1.430 13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.455 -0.400 12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.820 1.115 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.159 -0.007 14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.546 0.088 15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.162 -1.380 14.581 1.00 0.00 H new ATOM 713 N GLY A 49 9.647 -3.465 10.568 1.00 0.00 N ATOM 714 CA GLY A 49 8.339 -4.016 10.873 1.00 0.00 C ATOM 715 C GLY A 49 7.210 -3.177 10.310 1.00 0.00 C ATOM 716 O GLY A 49 6.078 -3.646 10.192 1.00 0.00 O ATOM 0 H GLY A 49 9.789 -3.216 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.271 -5.027 10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.225 -4.095 11.954 1.00 0.00 H new ATOM 720 N TYR A 50 7.517 -1.932 9.963 1.00 0.00 N ATOM 721 CA TYR A 50 6.518 -1.023 9.413 1.00 0.00 C ATOM 722 C TYR A 50 6.931 -0.532 8.029 1.00 0.00 C ATOM 723 O TYR A 50 8.101 -0.237 7.787 1.00 0.00 O ATOM 724 CB TYR A 50 6.312 0.169 10.349 1.00 0.00 C ATOM 725 CG TYR A 50 7.600 0.736 10.900 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.194 0.192 12.032 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.225 1.816 10.287 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.371 0.708 12.539 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.403 2.337 10.786 1.00 0.00 C ATOM 730 CZ TYR A 50 9.972 1.780 11.913 1.00 0.00 C ATOM 731 OH TYR A 50 11.145 2.295 12.414 1.00 0.00 O ATOM 0 H TYR A 50 8.450 -1.529 10.053 1.00 0.00 H new ATOM 0 HA TYR A 50 5.579 -1.569 9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.780 0.954 9.812 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.675 -0.137 11.179 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.728 -0.649 12.524 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.782 2.255 9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.818 0.274 13.421 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.876 3.176 10.297 1.00 0.00 H new ATOM 0 HH TYR A 50 11.437 3.046 11.856 1.00 0.00 H new ATOM 741 N ALA A 51 5.961 -0.447 7.124 1.00 0.00 N ATOM 742 CA ALA A 51 6.222 0.011 5.765 1.00 0.00 C ATOM 743 C ALA A 51 5.210 1.068 5.338 1.00 0.00 C ATOM 744 O ALA A 51 4.124 1.169 5.909 1.00 0.00 O ATOM 745 CB ALA A 51 6.201 -1.164 4.799 1.00 0.00 C ATOM 0 H ALA A 51 4.987 -0.689 7.308 1.00 0.00 H new ATOM 0 HA ALA A 51 7.212 0.466 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.397 -0.807 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.968 -1.884 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.223 -1.644 4.831 1.00 0.00 H new ATOM 751 N PHE A 52 5.572 1.855 4.330 1.00 0.00 N ATOM 752 CA PHE A 52 4.695 2.906 3.828 1.00 0.00 C ATOM 753 C PHE A 52 4.295 2.635 2.380 1.00 0.00 C ATOM 754 O PHE A 52 5.149 2.412 1.521 1.00 0.00 O ATOM 755 CB PHE A 52 5.385 4.268 3.931 1.00 0.00 C ATOM 756 CG PHE A 52 5.372 4.842 5.319 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.219 4.345 6.297 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.514 5.879 5.646 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.209 4.871 7.575 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.499 6.410 6.922 1.00 0.00 C ATOM 761 CZ PHE A 52 5.348 5.906 7.887 1.00 0.00 C ATOM 0 H PHE A 52 6.467 1.785 3.845 1.00 0.00 H new ATOM 0 HA PHE A 52 3.793 2.916 4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.418 4.170 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.896 4.967 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.895 3.537 6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.848 6.278 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.873 4.474 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.824 7.218 7.164 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.339 6.320 8.884 1.00 0.00 H new ATOM 771 N ILE A 53 2.993 2.654 2.119 1.00 0.00 N ATOM 772 CA ILE A 53 2.480 2.411 0.777 1.00 0.00 C ATOM 773 C ILE A 53 1.469 3.479 0.373 1.00 0.00 C ATOM 774 O ILE A 53 0.631 3.890 1.175 1.00 0.00 O ATOM 775 CB ILE A 53 1.816 1.025 0.670 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.769 -0.060 1.174 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.400 0.747 -0.767 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.288 -1.466 0.890 1.00 0.00 C ATOM 0 H ILE A 53 2.274 2.835 2.819 1.00 0.00 H new ATOM 0 HA ILE A 53 3.334 2.449 0.101 1.00 0.00 H new ATOM 0 HB ILE A 53 0.922 1.016 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.746 0.082 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.906 0.058 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.932 -0.236 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.690 1.507 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.279 0.770 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.013 -2.183 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.326 -1.626 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.179 -1.603 -0.186 1.00 0.00 H new ATOM 790 N ASN A 54 1.552 3.922 -0.877 1.00 0.00 N ATOM 791 CA ASN A 54 0.643 4.942 -1.389 1.00 0.00 C ATOM 792 C ASN A 54 -0.263 4.368 -2.474 1.00 0.00 C ATOM 793 O ASN A 54 0.187 3.620 -3.342 1.00 0.00 O ATOM 794 CB ASN A 54 1.434 6.128 -1.944 1.00 0.00 C ATOM 795 CG ASN A 54 0.668 7.433 -1.839 1.00 0.00 C ATOM 796 OD1 ASN A 54 -0.480 7.500 -2.501 1.00 0.00 O flip ATOM 797 ND2 ASN A 54 1.106 8.370 -1.170 1.00 0.00 N flip ATOM 0 H ASN A 54 2.239 3.591 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 54 0.019 5.285 -0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.376 6.218 -1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.683 5.939 -2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.994 8.274 -0.677 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.581 9.242 -1.109 1.00 0.00 H new ATOM 804 N PHE A 55 -1.542 4.724 -2.418 1.00 0.00 N ATOM 805 CA PHE A 55 -2.512 4.244 -3.396 1.00 0.00 C ATOM 806 C PHE A 55 -2.854 5.337 -4.404 1.00 0.00 C ATOM 807 O PHE A 55 -2.600 6.517 -4.166 1.00 0.00 O ATOM 808 CB PHE A 55 -3.785 3.767 -2.692 1.00 0.00 C ATOM 809 CG PHE A 55 -3.730 2.328 -2.266 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.240 1.980 -1.018 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.171 1.324 -3.112 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.188 0.657 -0.623 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.122 -0.001 -2.723 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.631 -0.335 -1.476 1.00 0.00 C ATOM 0 H PHE A 55 -1.931 5.343 -1.706 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.066 3.406 -3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.962 4.391 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.635 3.908 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.895 2.752 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.558 1.580 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.801 0.399 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.467 -0.774 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.594 -1.370 -1.169 1.00 0.00 H new ATOM 824 N ALA A 56 -3.432 4.935 -5.531 1.00 0.00 N ATOM 825 CA ALA A 56 -3.810 5.879 -6.575 1.00 0.00 C ATOM 826 C ALA A 56 -4.880 6.845 -6.080 1.00 0.00 C ATOM 827 O ALA A 56 -4.778 8.056 -6.280 1.00 0.00 O ATOM 828 CB ALA A 56 -4.300 5.134 -7.808 1.00 0.00 C ATOM 0 H ALA A 56 -3.649 3.961 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.927 6.460 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.579 5.851 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.506 4.489 -8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.167 4.528 -7.546 1.00 0.00 H new ATOM 834 N SER A 57 -5.907 6.304 -5.432 1.00 0.00 N ATOM 835 CA SER A 57 -6.999 7.118 -4.912 1.00 0.00 C ATOM 836 C SER A 57 -7.331 6.728 -3.475 1.00 0.00 C ATOM 837 O SER A 57 -6.851 5.713 -2.969 1.00 0.00 O ATOM 838 CB SER A 57 -8.240 6.969 -5.793 1.00 0.00 C ATOM 839 OG SER A 57 -9.032 8.144 -5.764 1.00 0.00 O ATOM 0 H SER A 57 -6.005 5.304 -5.255 1.00 0.00 H new ATOM 0 HA SER A 57 -6.679 8.160 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.938 6.756 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.832 6.120 -5.452 1.00 0.00 H new ATOM 0 HG SER A 57 -9.818 8.023 -6.337 1.00 0.00 H new ATOM 845 N PHE A 58 -8.155 7.541 -2.823 1.00 0.00 N ATOM 846 CA PHE A 58 -8.552 7.282 -1.444 1.00 0.00 C ATOM 847 C PHE A 58 -9.379 6.004 -1.347 1.00 0.00 C ATOM 848 O PHE A 58 -9.170 5.182 -0.454 1.00 0.00 O ATOM 849 CB PHE A 58 -9.352 8.463 -0.891 1.00 0.00 C ATOM 850 CG PHE A 58 -8.694 9.794 -1.123 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.859 10.463 -2.325 1.00 0.00 C ATOM 852 CD2 PHE A 58 -7.911 10.375 -0.138 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.254 11.687 -2.541 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.304 11.599 -0.348 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.477 12.256 -1.551 1.00 0.00 C ATOM 0 H PHE A 58 -8.561 8.385 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.647 7.155 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.340 8.470 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.500 8.322 0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.467 10.023 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.774 9.866 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.389 12.198 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.695 12.041 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.005 13.213 -1.717 1.00 0.00 H new ATOM 865 N ASP A 59 -10.319 5.842 -2.271 1.00 0.00 N ATOM 866 CA ASP A 59 -11.178 4.664 -2.291 1.00 0.00 C ATOM 867 C ASP A 59 -10.359 3.391 -2.110 1.00 0.00 C ATOM 868 O ASP A 59 -10.712 2.521 -1.314 1.00 0.00 O ATOM 869 CB ASP A 59 -11.961 4.599 -3.604 1.00 0.00 C ATOM 870 CG ASP A 59 -13.084 5.616 -3.660 1.00 0.00 C ATOM 871 OD1 ASP A 59 -12.795 6.826 -3.547 1.00 0.00 O ATOM 872 OD2 ASP A 59 -14.251 5.202 -3.817 1.00 0.00 O ATOM 0 H ASP A 59 -10.506 6.512 -3.017 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.881 4.744 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.280 4.768 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.375 3.598 -3.728 1.00 0.00 H new ATOM 877 N ALA A 60 -9.263 3.287 -2.854 1.00 0.00 N ATOM 878 CA ALA A 60 -8.392 2.121 -2.774 1.00 0.00 C ATOM 879 C ALA A 60 -7.901 1.899 -1.348 1.00 0.00 C ATOM 880 O ALA A 60 -7.990 0.793 -0.816 1.00 0.00 O ATOM 881 CB ALA A 60 -7.212 2.277 -3.723 1.00 0.00 C ATOM 0 H ALA A 60 -8.957 3.997 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.970 1.246 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.570 1.399 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.578 2.378 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.642 3.166 -3.452 1.00 0.00 H new ATOM 887 N SER A 61 -7.381 2.957 -0.735 1.00 0.00 N ATOM 888 CA SER A 61 -6.871 2.877 0.629 1.00 0.00 C ATOM 889 C SER A 61 -7.979 2.482 1.601 1.00 0.00 C ATOM 890 O SER A 61 -7.772 1.662 2.496 1.00 0.00 O ATOM 891 CB SER A 61 -6.262 4.216 1.049 1.00 0.00 C ATOM 892 OG SER A 61 -7.266 5.203 1.212 1.00 0.00 O ATOM 0 H SER A 61 -7.302 3.880 -1.161 1.00 0.00 H new ATOM 0 HA SER A 61 -6.097 2.110 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.713 4.093 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.543 4.544 0.298 1.00 0.00 H new ATOM 0 HG SER A 61 -7.827 5.235 0.409 1.00 0.00 H new ATOM 898 N ASP A 62 -9.155 3.071 1.418 1.00 0.00 N ATOM 899 CA ASP A 62 -10.298 2.781 2.276 1.00 0.00 C ATOM 900 C ASP A 62 -10.549 1.279 2.357 1.00 0.00 C ATOM 901 O ASP A 62 -10.747 0.730 3.441 1.00 0.00 O ATOM 902 CB ASP A 62 -11.548 3.493 1.756 1.00 0.00 C ATOM 903 CG ASP A 62 -12.674 3.500 2.771 1.00 0.00 C ATOM 904 OD1 ASP A 62 -13.387 2.479 2.874 1.00 0.00 O ATOM 905 OD2 ASP A 62 -12.843 4.526 3.462 1.00 0.00 O ATOM 0 H ASP A 62 -9.342 3.753 0.683 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.072 3.148 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.294 4.520 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.888 3.004 0.843 1.00 0.00 H new ATOM 910 N ALA A 63 -10.541 0.620 1.203 1.00 0.00 N ATOM 911 CA ALA A 63 -10.768 -0.819 1.144 1.00 0.00 C ATOM 912 C ALA A 63 -9.819 -1.563 2.077 1.00 0.00 C ATOM 913 O ALA A 63 -10.246 -2.395 2.878 1.00 0.00 O ATOM 914 CB ALA A 63 -10.608 -1.320 -0.284 1.00 0.00 C ATOM 0 H ALA A 63 -10.380 1.059 0.297 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.788 -1.015 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.780 -2.396 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.330 -0.819 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.599 -1.104 -0.634 1.00 0.00 H new ATOM 920 N ALA A 64 -8.530 -1.259 1.968 1.00 0.00 N ATOM 921 CA ALA A 64 -7.521 -1.899 2.803 1.00 0.00 C ATOM 922 C ALA A 64 -7.747 -1.582 4.278 1.00 0.00 C ATOM 923 O ALA A 64 -7.963 -2.482 5.089 1.00 0.00 O ATOM 924 CB ALA A 64 -6.127 -1.462 2.376 1.00 0.00 C ATOM 0 H ALA A 64 -8.160 -0.573 1.310 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.608 -2.978 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.384 -1.948 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.960 -1.744 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.038 -0.380 2.477 1.00 0.00 H new ATOM 930 N ILE A 65 -7.696 -0.298 4.617 1.00 0.00 N ATOM 931 CA ILE A 65 -7.896 0.136 5.994 1.00 0.00 C ATOM 932 C ILE A 65 -9.053 -0.615 6.644 1.00 0.00 C ATOM 933 O ILE A 65 -9.091 -0.779 7.863 1.00 0.00 O ATOM 934 CB ILE A 65 -8.172 1.649 6.072 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.942 2.439 5.621 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.571 2.042 7.487 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.220 3.906 5.379 1.00 0.00 C ATOM 0 H ILE A 65 -7.518 0.459 3.957 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.974 -0.085 6.532 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.998 1.887 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.163 2.345 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.552 1.996 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.763 3.114 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.473 1.501 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.764 1.792 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.303 4.403 5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.976 4.009 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.581 4.365 6.299 1.00 0.00 H new ATOM 949 N GLU A 66 -9.993 -1.070 5.822 1.00 0.00 N ATOM 950 CA GLU A 66 -11.151 -1.804 6.318 1.00 0.00 C ATOM 951 C GLU A 66 -10.835 -3.291 6.452 1.00 0.00 C ATOM 952 O GLU A 66 -10.964 -3.869 7.531 1.00 0.00 O ATOM 953 CB GLU A 66 -12.346 -1.608 5.384 1.00 0.00 C ATOM 954 CG GLU A 66 -13.691 -1.780 6.071 1.00 0.00 C ATOM 955 CD GLU A 66 -14.795 -0.986 5.400 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.921 0.220 5.696 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.532 -1.571 4.579 1.00 0.00 O ATOM 0 H GLU A 66 -9.975 -0.943 4.810 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.402 -1.413 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.295 -0.610 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.274 -2.320 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.960 -2.836 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.606 -1.468 7.112 1.00 0.00 H new ATOM 964 N ALA A 67 -10.421 -3.904 5.348 1.00 0.00 N ATOM 965 CA ALA A 67 -10.086 -5.322 5.341 1.00 0.00 C ATOM 966 C ALA A 67 -8.644 -5.547 5.784 1.00 0.00 C ATOM 967 O ALA A 67 -8.388 -6.229 6.776 1.00 0.00 O ATOM 968 CB ALA A 67 -10.313 -5.912 3.957 1.00 0.00 C ATOM 0 H ALA A 67 -10.310 -3.440 4.446 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.740 -5.828 6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.059 -6.972 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.360 -5.793 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.683 -5.395 3.233 1.00 0.00 H new ATOM 974 N MET A 68 -7.705 -4.970 5.041 1.00 0.00 N ATOM 975 CA MET A 68 -6.288 -5.108 5.358 1.00 0.00 C ATOM 976 C MET A 68 -6.036 -4.855 6.841 1.00 0.00 C ATOM 977 O MET A 68 -5.140 -5.451 7.438 1.00 0.00 O ATOM 978 CB MET A 68 -5.458 -4.138 4.515 1.00 0.00 C ATOM 979 CG MET A 68 -5.058 -4.699 3.160 1.00 0.00 C ATOM 980 SD MET A 68 -3.483 -5.576 3.209 1.00 0.00 S ATOM 981 CE MET A 68 -4.044 -7.277 3.246 1.00 0.00 C ATOM 0 H MET A 68 -7.900 -4.403 4.216 1.00 0.00 H new ATOM 0 HA MET A 68 -5.987 -6.129 5.125 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.027 -3.221 4.365 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.558 -3.868 5.067 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.836 -5.376 2.808 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.994 -3.885 2.438 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.776 -7.728 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.127 -7.306 3.122 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.571 -7.834 2.437 1.00 0.00 H new ATOM 991 N ASN A 69 -6.831 -3.968 7.429 1.00 0.00 N ATOM 992 CA ASN A 69 -6.693 -3.636 8.843 1.00 0.00 C ATOM 993 C ASN A 69 -6.903 -4.870 9.714 1.00 0.00 C ATOM 994 O ASN A 69 -7.997 -5.103 10.226 1.00 0.00 O ATOM 995 CB ASN A 69 -7.694 -2.546 9.232 1.00 0.00 C ATOM 996 CG ASN A 69 -7.914 -2.473 10.731 1.00 0.00 C ATOM 997 OD1 ASN A 69 -7.053 -2.869 11.516 1.00 0.00 O ATOM 998 ND2 ASN A 69 -9.073 -1.965 11.134 1.00 0.00 N ATOM 0 H ASN A 69 -7.578 -3.466 6.949 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.681 -3.266 9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.335 -1.582 8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.646 -2.737 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.278 -1.891 12.130 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.758 -1.649 10.447 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.845 -5.659 9.879 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.934 -6.859 10.689 1.00 0.00 C ATOM 1007 C GLY A 70 -5.641 -8.117 9.896 1.00 0.00 C ATOM 1008 O GLY A 70 -5.318 -9.158 10.468 1.00 0.00 O ATOM 0 H GLY A 70 -4.928 -5.488 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.232 -6.785 11.520 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.933 -6.929 11.120 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.756 -8.022 8.575 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.504 -9.163 7.703 1.00 0.00 C ATOM 1014 C GLN A 71 -4.312 -9.974 8.199 1.00 0.00 C ATOM 1015 O GLN A 71 -3.206 -9.451 8.334 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.254 -8.691 6.270 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.520 -8.586 5.434 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.128 -9.939 5.124 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.448 -10.841 4.633 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -8.417 -10.089 5.410 1.00 0.00 N ATOM 0 H GLN A 71 -6.022 -7.167 8.086 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.387 -9.802 7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.765 -7.717 6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.564 -9.381 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.251 -7.976 5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.293 -8.071 4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.943 -9.315 5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.881 -10.978 5.223 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.545 -11.254 8.469 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.490 -12.137 8.952 1.00 0.00 C ATOM 1031 C TYR A 72 -2.470 -12.420 7.854 1.00 0.00 C ATOM 1032 O TYR A 72 -2.705 -13.242 6.968 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.088 -13.451 9.459 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.322 -14.062 10.610 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.437 -13.550 11.896 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.481 -15.150 10.411 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.738 -14.104 12.951 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.779 -15.711 11.460 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.911 -15.185 12.728 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.212 -15.740 13.775 1.00 0.00 O ATOM 0 H TYR A 72 -5.455 -11.703 8.362 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.981 -11.635 9.775 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.117 -13.275 9.772 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.122 -14.166 8.637 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.084 -12.704 12.074 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.374 -15.564 9.419 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.839 -13.693 13.945 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.130 -16.557 11.288 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.677 -16.494 13.448 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.335 -11.733 7.919 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.276 -11.910 6.932 1.00 0.00 C ATOM 1052 C LEU A 73 0.682 -13.020 7.352 1.00 0.00 C ATOM 1053 O LEU A 73 0.577 -13.559 8.454 1.00 0.00 O ATOM 1054 CB LEU A 73 0.494 -10.602 6.741 1.00 0.00 C ATOM 1055 CG LEU A 73 1.290 -10.474 5.442 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.464 -10.956 4.260 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.739 -9.036 5.230 1.00 0.00 C ATOM 0 H LEU A 73 -1.124 -11.048 8.645 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.739 -12.194 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.215 -9.776 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.182 -10.483 7.578 1.00 0.00 H new ATOM 0 HG LEU A 73 2.177 -11.102 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.047 -10.857 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.194 -12.002 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.442 -10.355 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.304 -8.965 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.865 -8.386 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.370 -8.725 6.063 1.00 0.00 H new ATOM 1069 N CYS A 74 1.615 -13.355 6.468 1.00 0.00 N ATOM 1070 CA CYS A 74 2.593 -14.401 6.748 1.00 0.00 C ATOM 1071 C CYS A 74 2.937 -14.440 8.234 1.00 0.00 C ATOM 1072 O CYS A 74 3.846 -13.747 8.689 1.00 0.00 O ATOM 1073 CB CYS A 74 3.862 -14.175 5.925 1.00 0.00 C ATOM 1074 SG CYS A 74 4.794 -15.684 5.577 1.00 0.00 S ATOM 0 H CYS A 74 1.715 -12.918 5.552 1.00 0.00 H new ATOM 0 HA CYS A 74 2.154 -15.359 6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.591 -13.702 4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.508 -13.476 6.457 1.00 0.00 H new ATOM 0 HG CYS A 74 5.848 -15.391 4.875 1.00 0.00 H new ATOM 1080 N ASN A 75 2.202 -15.254 8.985 1.00 0.00 N ATOM 1081 CA ASN A 75 2.427 -15.382 10.420 1.00 0.00 C ATOM 1082 C ASN A 75 2.716 -14.022 11.048 1.00 0.00 C ATOM 1083 O ASN A 75 3.671 -13.870 11.810 1.00 0.00 O ATOM 1084 CB ASN A 75 3.590 -16.339 10.691 1.00 0.00 C ATOM 1085 CG ASN A 75 3.175 -17.795 10.594 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.108 -18.361 9.503 1.00 0.00 O ATOM 1087 ND2 ASN A 75 2.894 -18.407 11.738 1.00 0.00 N ATOM 0 H ASN A 75 1.445 -15.835 8.623 1.00 0.00 H new ATOM 0 HA ASN A 75 1.520 -15.786 10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.391 -16.144 9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.993 -16.144 11.685 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.609 -19.386 11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.963 -17.898 12.619 1.00 0.00 H new ATOM 1094 N ARG A 76 1.884 -13.038 10.724 1.00 0.00 N ATOM 1095 CA ARG A 76 2.050 -11.691 11.256 1.00 0.00 C ATOM 1096 C ARG A 76 0.839 -10.823 10.928 1.00 0.00 C ATOM 1097 O ARG A 76 0.608 -10.444 9.780 1.00 0.00 O ATOM 1098 CB ARG A 76 3.318 -11.049 10.690 1.00 0.00 C ATOM 1099 CG ARG A 76 4.592 -11.501 11.386 1.00 0.00 C ATOM 1100 CD ARG A 76 5.650 -10.408 11.375 1.00 0.00 C ATOM 1101 NE ARG A 76 5.553 -9.540 12.545 1.00 0.00 N ATOM 1102 CZ ARG A 76 5.827 -9.941 13.782 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.213 -11.189 14.008 1.00 0.00 N ATOM 1104 NH2 ARG A 76 5.715 -9.092 14.795 1.00 0.00 N ATOM 0 H ARG A 76 1.088 -13.148 10.096 1.00 0.00 H new ATOM 0 HA ARG A 76 2.140 -11.765 12.340 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.391 -11.284 9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.234 -9.965 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.366 -11.780 12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.982 -12.391 10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.640 -10.862 11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.544 -9.810 10.470 1.00 0.00 H new ATOM 0 HE ARG A 76 5.259 -8.573 12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.300 -11.844 13.231 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.423 -11.494 14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.418 -8.131 14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.925 -9.400 15.744 1.00 0.00 H new ATOM 1118 N PRO A 77 0.044 -10.501 11.960 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.157 -9.675 11.807 1.00 0.00 C ATOM 1120 C PRO A 77 -0.824 -8.223 11.483 1.00 0.00 C ATOM 1121 O PRO A 77 -0.450 -7.451 12.365 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.834 -9.776 13.176 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.726 -10.081 14.125 1.00 0.00 C ATOM 1124 CD PRO A 77 0.258 -10.918 13.356 1.00 0.00 C ATOM 0 HA PRO A 77 -1.782 -10.014 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.336 -8.845 13.439 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.591 -10.560 13.186 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.260 -9.165 14.488 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.097 -10.618 14.998 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.282 -10.731 13.678 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.071 -11.983 13.490 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.964 -7.858 10.213 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.680 -6.498 9.774 1.00 0.00 C ATOM 1134 C ILE A 78 -1.764 -5.532 10.241 1.00 0.00 C ATOM 1135 O ILE A 78 -2.880 -5.940 10.563 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.560 -6.414 8.240 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.940 -6.541 7.592 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.375 -7.497 7.723 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.945 -6.219 6.114 1.00 0.00 C ATOM 0 H ILE A 78 -1.272 -8.485 9.470 1.00 0.00 H new ATOM 0 HA ILE A 78 0.273 -6.215 10.221 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.142 -5.443 7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.308 -7.557 7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.635 -5.875 8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.450 -7.425 6.638 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.363 -7.366 8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.017 -8.477 7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.956 -6.330 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.608 -5.193 5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.275 -6.901 5.591 1.00 0.00 H new ATOM 1151 N THR A 79 -1.428 -4.246 10.274 1.00 0.00 N ATOM 1152 CA THR A 79 -2.372 -3.220 10.701 1.00 0.00 C ATOM 1153 C THR A 79 -2.249 -1.968 9.841 1.00 0.00 C ATOM 1154 O THR A 79 -1.230 -1.277 9.874 1.00 0.00 O ATOM 1155 CB THR A 79 -2.157 -2.838 12.178 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.800 -2.430 12.386 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.485 -4.009 13.092 1.00 0.00 C ATOM 0 H THR A 79 -0.509 -3.890 10.010 1.00 0.00 H new ATOM 0 HA THR A 79 -3.371 -3.641 10.584 1.00 0.00 H new ATOM 0 HB THR A 79 -2.825 -2.011 12.418 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.467 -1.980 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.326 -3.716 14.130 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.526 -4.299 12.952 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.838 -4.852 12.850 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.293 -1.679 9.071 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.303 -0.507 8.203 1.00 0.00 C ATOM 1167 C VAL A 80 -4.038 0.656 8.859 1.00 0.00 C ATOM 1168 O VAL A 80 -5.054 0.465 9.526 1.00 0.00 O ATOM 1169 CB VAL A 80 -3.963 -0.819 6.847 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -3.765 0.338 5.879 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.406 -2.111 6.268 1.00 0.00 C ATOM 0 H VAL A 80 -4.143 -2.241 9.030 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.263 -0.227 8.036 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.033 -0.951 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.238 0.100 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.216 1.240 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.699 0.504 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.884 -2.316 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.330 -2.011 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.605 -2.933 6.956 1.00 0.00 H new ATOM 1181 N SER A 81 -3.517 1.864 8.663 1.00 0.00 N ATOM 1182 CA SER A 81 -4.123 3.059 9.238 1.00 0.00 C ATOM 1183 C SER A 81 -3.588 4.318 8.562 1.00 0.00 C ATOM 1184 O SER A 81 -2.379 4.477 8.388 1.00 0.00 O ATOM 1185 CB SER A 81 -3.852 3.121 10.743 1.00 0.00 C ATOM 1186 OG SER A 81 -4.866 2.450 11.471 1.00 0.00 O ATOM 0 H SER A 81 -2.678 2.040 8.111 1.00 0.00 H new ATOM 0 HA SER A 81 -5.199 3.007 9.072 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.884 2.669 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.797 4.161 11.063 1.00 0.00 H new ATOM 0 HG SER A 81 -5.135 1.641 10.988 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.496 5.210 8.182 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.117 6.453 7.523 1.00 0.00 C ATOM 1194 C TYR A 82 -2.896 7.075 8.193 1.00 0.00 C ATOM 1195 O TYR A 82 -2.912 7.371 9.387 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.283 7.443 7.545 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.243 7.273 6.389 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.791 7.295 5.075 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.603 7.089 6.610 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.664 7.141 4.016 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.483 6.933 5.557 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.009 6.961 4.262 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.882 6.805 3.210 1.00 0.00 O ATOM 0 H TYR A 82 -5.500 5.095 8.319 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.864 6.222 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.830 7.327 8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.887 8.458 7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.738 7.435 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.978 7.068 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.296 7.161 3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.537 6.790 5.747 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.442 6.305 2.491 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.837 7.271 7.414 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.607 7.859 7.929 1.00 0.00 C ATOM 1215 C ALA A 83 -0.905 9.058 8.824 1.00 0.00 C ATOM 1216 O ALA A 83 -0.434 9.130 9.959 1.00 0.00 O ATOM 1217 CB ALA A 83 0.304 8.269 6.782 1.00 0.00 C ATOM 0 H ALA A 83 -1.807 7.031 6.423 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.098 7.106 8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.219 8.707 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.553 7.392 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.206 9.002 6.157 1.00 0.00 H new