USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 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 Single : A 12 ASN :FLIP amide:sc= -0.331 F(o=-0.88,f=-0.33) 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=-0.00947 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -171:sc= -0.541 (180deg=-0.89) 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 : amide:sc= -0.531 K(o=-0.53,f=-6.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -115:sc= -1.38 (180deg=-2.33) USER MOD Single : A 69 ASN : amide:sc= 0.045 X(o=0.045,f=-0.097) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.419 X(o=-0.42,f=0) USER MOD Single : A 79 THR OG1 : rot 35:sc= 0.386 USER MOD Single : A 81 SER OG : rot 5:sc= 0.542 USER MOD Single : A 82 TYR OH : rot -53:sc= 0.62 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.374 8.349 1.384 1.00 0.00 N ATOM 60 CA GLY A 7 -0.525 7.238 1.773 1.00 0.00 C ATOM 61 C GLY A 7 -1.029 6.529 3.014 1.00 0.00 C ATOM 62 O GLY A 7 -1.524 7.167 3.944 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.465 6.525 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.486 7.603 1.953 1.00 0.00 H new ATOM 66 N ILE A 8 -0.907 5.206 3.028 1.00 0.00 N ATOM 67 CA ILE A 8 -1.355 4.409 4.163 1.00 0.00 C ATOM 68 C ILE A 8 -0.171 3.834 4.933 1.00 0.00 C ATOM 69 O ILE A 8 0.837 3.444 4.343 1.00 0.00 O ATOM 70 CB ILE A 8 -2.271 3.255 3.715 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.579 2.414 2.641 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.594 3.800 3.199 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.158 1.024 2.496 1.00 0.00 C ATOM 0 H ILE A 8 -0.501 4.663 2.266 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.919 5.077 4.814 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.474 2.616 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.651 2.931 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.519 2.334 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.231 2.973 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.090 4.361 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.410 4.458 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.619 0.485 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.061 0.489 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.211 1.095 2.225 1.00 0.00 H new ATOM 85 N PHE A 9 -0.300 3.783 6.255 1.00 0.00 N ATOM 86 CA PHE A 9 0.759 3.254 7.107 1.00 0.00 C ATOM 87 C PHE A 9 0.498 1.791 7.453 1.00 0.00 C ATOM 88 O PHE A 9 -0.617 1.418 7.820 1.00 0.00 O ATOM 89 CB PHE A 9 0.872 4.082 8.389 1.00 0.00 C ATOM 90 CG PHE A 9 2.021 3.674 9.266 1.00 0.00 C ATOM 91 CD1 PHE A 9 2.047 2.422 9.859 1.00 0.00 C ATOM 92 CD2 PHE A 9 3.076 4.542 9.496 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.103 2.045 10.667 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.135 4.171 10.303 1.00 0.00 C ATOM 95 CZ PHE A 9 4.149 2.920 10.888 1.00 0.00 C ATOM 0 H PHE A 9 -1.127 4.102 6.759 1.00 0.00 H new ATOM 0 HA PHE A 9 1.699 3.317 6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.983 5.134 8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.056 3.991 8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.233 1.733 9.688 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.071 5.521 9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.110 1.067 11.125 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.950 4.858 10.476 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.976 2.626 11.517 1.00 0.00 H new ATOM 105 N ILE A 10 1.534 0.968 7.334 1.00 0.00 N ATOM 106 CA ILE A 10 1.418 -0.454 7.635 1.00 0.00 C ATOM 107 C ILE A 10 2.524 -0.907 8.582 1.00 0.00 C ATOM 108 O ILE A 10 3.689 -0.554 8.407 1.00 0.00 O ATOM 109 CB ILE A 10 1.473 -1.307 6.354 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.497 -0.761 5.310 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.158 -2.761 6.672 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.915 -1.047 3.884 1.00 0.00 C ATOM 0 H ILE A 10 2.463 1.261 7.031 1.00 0.00 H new ATOM 0 HA ILE A 10 0.450 -0.597 8.115 1.00 0.00 H new ATOM 0 HB ILE A 10 2.481 -1.256 5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.488 -1.193 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.401 0.317 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.201 -3.351 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.888 -3.144 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.159 -2.831 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.177 -0.631 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.886 -0.592 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.983 -2.124 3.734 1.00 0.00 H new ATOM 124 N GLY A 11 2.150 -1.695 9.586 1.00 0.00 N ATOM 125 CA GLY A 11 3.122 -2.186 10.545 1.00 0.00 C ATOM 126 C GLY A 11 2.959 -3.665 10.830 1.00 0.00 C ATOM 127 O GLY A 11 1.923 -4.253 10.523 1.00 0.00 O ATOM 0 H GLY A 11 1.191 -2.002 9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.127 -2.001 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.024 -1.627 11.476 1.00 0.00 H new ATOM 131 N ASN A 12 3.986 -4.270 11.419 1.00 0.00 N ATOM 132 CA ASN A 12 3.952 -5.691 11.743 1.00 0.00 C ATOM 133 C ASN A 12 4.045 -6.540 10.479 1.00 0.00 C ATOM 134 O ASN A 12 3.298 -7.506 10.311 1.00 0.00 O ATOM 135 CB ASN A 12 2.671 -6.031 12.507 1.00 0.00 C ATOM 136 CG ASN A 12 2.860 -7.190 13.467 1.00 0.00 C ATOM 137 OD1 ASN A 12 3.080 -8.380 12.921 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 2.809 -7.017 14.685 1.00 0.00 N flip ATOM 0 H ASN A 12 4.851 -3.798 11.681 1.00 0.00 H new ATOM 0 HA ASN A 12 4.813 -5.915 12.373 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.339 -5.154 13.062 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.882 -6.276 11.796 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.637 -6.084 15.061 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.938 -7.806 15.318 1.00 0.00 H new ATOM 145 N LEU A 13 4.965 -6.175 9.594 1.00 0.00 N ATOM 146 CA LEU A 13 5.156 -6.903 8.344 1.00 0.00 C ATOM 147 C LEU A 13 6.280 -7.925 8.476 1.00 0.00 C ATOM 148 O LEU A 13 7.391 -7.592 8.889 1.00 0.00 O ATOM 149 CB LEU A 13 5.468 -5.929 7.206 1.00 0.00 C ATOM 150 CG LEU A 13 4.270 -5.194 6.605 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.716 -3.902 5.938 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.540 -6.085 5.611 1.00 0.00 C ATOM 0 H LEU A 13 5.591 -5.379 9.718 1.00 0.00 H new ATOM 0 HA LEU A 13 4.232 -7.434 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.177 -5.187 7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.968 -6.480 6.409 1.00 0.00 H new ATOM 0 HG LEU A 13 3.581 -4.944 7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.850 -3.393 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.192 -3.257 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.426 -4.129 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.690 -5.545 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.220 -6.368 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.186 -6.982 6.119 1.00 0.00 H new ATOM 164 N ASP A 14 5.985 -9.171 8.121 1.00 0.00 N ATOM 165 CA ASP A 14 6.971 -10.242 8.197 1.00 0.00 C ATOM 166 C ASP A 14 8.245 -9.862 7.447 1.00 0.00 C ATOM 167 O ASP A 14 8.206 -9.276 6.365 1.00 0.00 O ATOM 168 CB ASP A 14 6.395 -11.537 7.623 1.00 0.00 C ATOM 169 CG ASP A 14 7.216 -12.754 8.001 1.00 0.00 C ATOM 170 OD1 ASP A 14 8.330 -12.909 7.460 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.744 -13.552 8.838 1.00 0.00 O ATOM 0 H ASP A 14 5.070 -9.464 7.778 1.00 0.00 H new ATOM 0 HA ASP A 14 7.220 -10.398 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.373 -11.666 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.345 -11.459 6.537 1.00 0.00 H new ATOM 176 N PRO A 15 9.401 -10.201 8.035 1.00 0.00 N ATOM 177 CA PRO A 15 10.708 -9.905 7.441 1.00 0.00 C ATOM 178 C PRO A 15 10.982 -10.742 6.196 1.00 0.00 C ATOM 179 O PRO A 15 12.012 -10.579 5.543 1.00 0.00 O ATOM 180 CB PRO A 15 11.694 -10.264 8.555 1.00 0.00 C ATOM 181 CG PRO A 15 10.978 -11.275 9.383 1.00 0.00 C ATOM 182 CD PRO A 15 9.523 -10.901 9.325 1.00 0.00 C ATOM 0 HA PRO A 15 10.779 -8.870 7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.620 -10.670 8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.962 -9.387 9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.138 -12.281 8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.342 -11.267 10.410 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.880 -11.780 9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.240 -10.259 10.159 1.00 0.00 H new ATOM 190 N GLU A 16 10.053 -11.637 5.874 1.00 0.00 N ATOM 191 CA GLU A 16 10.197 -12.499 4.707 1.00 0.00 C ATOM 192 C GLU A 16 9.486 -11.899 3.497 1.00 0.00 C ATOM 193 O GLU A 16 9.600 -12.409 2.382 1.00 0.00 O ATOM 194 CB GLU A 16 9.637 -13.892 5.002 1.00 0.00 C ATOM 195 CG GLU A 16 10.186 -14.510 6.277 1.00 0.00 C ATOM 196 CD GLU A 16 11.510 -15.217 6.059 1.00 0.00 C ATOM 197 OE1 GLU A 16 11.494 -16.423 5.737 1.00 0.00 O ATOM 198 OE2 GLU A 16 12.563 -14.562 6.212 1.00 0.00 O ATOM 0 H GLU A 16 9.194 -11.784 6.404 1.00 0.00 H new ATOM 0 HA GLU A 16 11.259 -12.583 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.551 -13.830 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.862 -14.550 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.314 -13.731 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.460 -15.220 6.674 1.00 0.00 H new ATOM 205 N ILE A 17 8.752 -10.815 3.726 1.00 0.00 N ATOM 206 CA ILE A 17 8.024 -10.146 2.656 1.00 0.00 C ATOM 207 C ILE A 17 8.946 -9.243 1.844 1.00 0.00 C ATOM 208 O ILE A 17 9.789 -8.539 2.400 1.00 0.00 O ATOM 209 CB ILE A 17 6.857 -9.306 3.208 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.938 -10.175 4.069 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.077 -8.668 2.068 1.00 0.00 C ATOM 212 CD1 ILE A 17 5.217 -9.403 5.152 1.00 0.00 C ATOM 0 H ILE A 17 8.646 -10.382 4.643 1.00 0.00 H new ATOM 0 HA ILE A 17 7.624 -10.928 2.010 1.00 0.00 H new ATOM 0 HB ILE A 17 7.264 -8.511 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.202 -10.658 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.528 -10.967 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.256 -8.078 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.738 -8.021 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.677 -9.448 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.584 -10.082 5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.947 -8.942 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.600 -8.628 4.697 1.00 0.00 H new ATOM 224 N ASP A 18 8.778 -9.267 0.526 1.00 0.00 N ATOM 225 CA ASP A 18 9.594 -8.448 -0.363 1.00 0.00 C ATOM 226 C ASP A 18 8.741 -7.397 -1.068 1.00 0.00 C ATOM 227 O ASP A 18 7.576 -7.637 -1.380 1.00 0.00 O ATOM 228 CB ASP A 18 10.299 -9.327 -1.397 1.00 0.00 C ATOM 229 CG ASP A 18 9.501 -10.569 -1.743 1.00 0.00 C ATOM 230 OD1 ASP A 18 8.419 -10.428 -2.350 1.00 0.00 O ATOM 231 OD2 ASP A 18 9.957 -11.681 -1.404 1.00 0.00 O ATOM 0 H ASP A 18 8.085 -9.844 0.050 1.00 0.00 H new ATOM 0 HA ASP A 18 10.344 -7.937 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.474 -8.747 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.276 -9.622 -1.013 1.00 0.00 H new ATOM 236 N GLU A 19 9.331 -6.231 -1.313 1.00 0.00 N ATOM 237 CA GLU A 19 8.625 -5.143 -1.979 1.00 0.00 C ATOM 238 C GLU A 19 7.635 -5.685 -3.006 1.00 0.00 C ATOM 239 O GLU A 19 6.450 -5.354 -2.979 1.00 0.00 O ATOM 240 CB GLU A 19 9.619 -4.201 -2.660 1.00 0.00 C ATOM 241 CG GLU A 19 10.136 -3.100 -1.750 1.00 0.00 C ATOM 242 CD GLU A 19 11.260 -3.570 -0.847 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.977 -4.516 -1.236 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.423 -2.992 0.248 1.00 0.00 O ATOM 0 H GLU A 19 10.296 -6.016 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 19 8.070 -4.588 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.464 -4.783 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.141 -3.748 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.488 -2.266 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.316 -2.725 -1.138 1.00 0.00 H new ATOM 251 N LYS A 20 8.131 -6.521 -3.913 1.00 0.00 N ATOM 252 CA LYS A 20 7.292 -7.111 -4.949 1.00 0.00 C ATOM 253 C LYS A 20 6.009 -7.680 -4.353 1.00 0.00 C ATOM 254 O LYS A 20 4.907 -7.335 -4.781 1.00 0.00 O ATOM 255 CB LYS A 20 8.057 -8.213 -5.687 1.00 0.00 C ATOM 256 CG LYS A 20 7.314 -8.769 -6.889 1.00 0.00 C ATOM 257 CD LYS A 20 7.439 -7.852 -8.095 1.00 0.00 C ATOM 258 CE LYS A 20 8.804 -7.980 -8.753 1.00 0.00 C ATOM 259 NZ LYS A 20 9.021 -6.932 -9.789 1.00 0.00 N ATOM 0 H LYS A 20 9.110 -6.805 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 20 7.025 -6.326 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.019 -7.819 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.267 -9.026 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.708 -9.754 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.261 -8.901 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.661 -8.093 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.278 -6.819 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.582 -7.906 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.896 -8.966 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.962 -7.054 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.294 -7.018 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.958 -5.991 -9.350 1.00 0.00 H new ATOM 273 N LEU A 21 6.159 -8.553 -3.363 1.00 0.00 N ATOM 274 CA LEU A 21 5.011 -9.169 -2.706 1.00 0.00 C ATOM 275 C LEU A 21 4.006 -8.112 -2.261 1.00 0.00 C ATOM 276 O LEU A 21 2.916 -8.000 -2.824 1.00 0.00 O ATOM 277 CB LEU A 21 5.470 -9.993 -1.501 1.00 0.00 C ATOM 278 CG LEU A 21 4.416 -10.904 -0.870 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.155 -12.112 -1.757 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.854 -11.344 0.519 1.00 0.00 C ATOM 0 H LEU A 21 7.064 -8.850 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 21 4.523 -9.828 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.316 -10.608 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.835 -9.308 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 21 3.487 -10.342 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.402 -12.749 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.796 -11.778 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.079 -12.676 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.092 -11.991 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.795 -11.889 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.989 -10.467 1.153 1.00 0.00 H new ATOM 292 N LEU A 22 4.380 -7.337 -1.249 1.00 0.00 N ATOM 293 CA LEU A 22 3.512 -6.286 -0.729 1.00 0.00 C ATOM 294 C LEU A 22 2.735 -5.614 -1.857 1.00 0.00 C ATOM 295 O LEU A 22 1.507 -5.531 -1.815 1.00 0.00 O ATOM 296 CB LEU A 22 4.337 -5.244 0.028 1.00 0.00 C ATOM 297 CG LEU A 22 4.631 -5.558 1.495 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.716 -4.637 2.031 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.365 -5.438 2.331 1.00 0.00 C ATOM 0 H LEU A 22 5.278 -7.416 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 22 2.799 -6.744 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.286 -5.113 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.813 -4.290 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 22 4.990 -6.585 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.912 -4.875 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.629 -4.773 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.386 -3.601 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.594 -5.665 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.976 -4.422 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.618 -6.140 1.962 1.00 0.00 H new ATOM 311 N TYR A 23 3.458 -5.137 -2.864 1.00 0.00 N ATOM 312 CA TYR A 23 2.836 -4.472 -4.004 1.00 0.00 C ATOM 313 C TYR A 23 1.640 -5.270 -4.513 1.00 0.00 C ATOM 314 O TYR A 23 0.591 -4.705 -4.824 1.00 0.00 O ATOM 315 CB TYR A 23 3.855 -4.285 -5.129 1.00 0.00 C ATOM 316 CG TYR A 23 3.361 -3.401 -6.252 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.365 -3.836 -7.117 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.891 -2.132 -6.448 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.911 -3.032 -8.145 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.442 -1.321 -7.472 1.00 0.00 C ATOM 321 CZ TYR A 23 2.452 -1.775 -8.318 1.00 0.00 C ATOM 322 OH TYR A 23 2.003 -0.971 -9.340 1.00 0.00 O ATOM 0 H TYR A 23 4.475 -5.198 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 23 2.484 -3.494 -3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.767 -3.856 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.118 -5.261 -5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.938 -4.819 -6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.667 -1.773 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.137 -3.386 -8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.864 -0.336 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 23 2.486 -0.119 -9.322 1.00 0.00 H new ATOM 332 N ASP A 24 1.805 -6.585 -4.596 1.00 0.00 N ATOM 333 CA ASP A 24 0.739 -7.462 -5.066 1.00 0.00 C ATOM 334 C ASP A 24 -0.295 -7.696 -3.969 1.00 0.00 C ATOM 335 O ASP A 24 -1.491 -7.487 -4.174 1.00 0.00 O ATOM 336 CB ASP A 24 1.318 -8.799 -5.532 1.00 0.00 C ATOM 337 CG ASP A 24 1.734 -8.773 -6.990 1.00 0.00 C ATOM 338 OD1 ASP A 24 1.001 -8.174 -7.805 1.00 0.00 O ATOM 339 OD2 ASP A 24 2.791 -9.352 -7.316 1.00 0.00 O ATOM 0 H ASP A 24 2.667 -7.068 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 24 0.246 -6.975 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.180 -9.053 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.577 -9.584 -5.382 1.00 0.00 H new ATOM 344 N THR A 25 0.173 -8.133 -2.804 1.00 0.00 N ATOM 345 CA THR A 25 -0.710 -8.398 -1.676 1.00 0.00 C ATOM 346 C THR A 25 -1.766 -7.307 -1.537 1.00 0.00 C ATOM 347 O THR A 25 -2.899 -7.573 -1.135 1.00 0.00 O ATOM 348 CB THR A 25 0.079 -8.504 -0.357 1.00 0.00 C ATOM 349 OG1 THR A 25 1.115 -9.484 -0.484 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.841 -8.878 0.795 1.00 0.00 C ATOM 0 H THR A 25 1.160 -8.311 -2.617 1.00 0.00 H new ATOM 0 HA THR A 25 -1.200 -9.351 -1.875 1.00 0.00 H new ATOM 0 HB THR A 25 0.523 -7.531 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.613 -9.544 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.262 -8.947 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.612 -8.115 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.310 -9.840 0.589 1.00 0.00 H new ATOM 358 N PHE A 26 -1.388 -6.078 -1.871 1.00 0.00 N ATOM 359 CA PHE A 26 -2.303 -4.946 -1.783 1.00 0.00 C ATOM 360 C PHE A 26 -2.939 -4.653 -3.139 1.00 0.00 C ATOM 361 O PHE A 26 -4.137 -4.386 -3.231 1.00 0.00 O ATOM 362 CB PHE A 26 -1.566 -3.705 -1.275 1.00 0.00 C ATOM 363 CG PHE A 26 -1.351 -3.703 0.212 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.551 -4.662 0.811 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.950 -2.741 1.010 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.351 -4.663 2.178 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.753 -2.736 2.378 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.953 -3.699 2.963 1.00 0.00 C ATOM 0 H PHE A 26 -0.454 -5.840 -2.205 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.094 -5.205 -1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.599 -3.636 -1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.132 -2.816 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.078 -5.418 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.577 -1.987 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.275 -5.417 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.224 -1.980 2.989 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.799 -3.698 4.032 1.00 0.00 H new ATOM 378 N SER A 27 -2.127 -4.707 -4.191 1.00 0.00 N ATOM 379 CA SER A 27 -2.608 -4.443 -5.542 1.00 0.00 C ATOM 380 C SER A 27 -4.040 -4.941 -5.716 1.00 0.00 C ATOM 381 O SER A 27 -4.874 -4.267 -6.317 1.00 0.00 O ATOM 382 CB SER A 27 -1.695 -5.113 -6.570 1.00 0.00 C ATOM 383 OG SER A 27 -2.280 -5.094 -7.861 1.00 0.00 O ATOM 0 H SER A 27 -1.134 -4.931 -4.133 1.00 0.00 H new ATOM 0 HA SER A 27 -2.595 -3.365 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.733 -4.601 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.500 -6.143 -6.271 1.00 0.00 H new ATOM 0 HG SER A 27 -1.676 -5.527 -8.500 1.00 0.00 H new ATOM 389 N ALA A 28 -4.315 -6.128 -5.184 1.00 0.00 N ATOM 390 CA ALA A 28 -5.645 -6.717 -5.278 1.00 0.00 C ATOM 391 C ALA A 28 -6.726 -5.682 -4.980 1.00 0.00 C ATOM 392 O ALA A 28 -7.624 -5.457 -5.792 1.00 0.00 O ATOM 393 CB ALA A 28 -5.767 -7.899 -4.328 1.00 0.00 C ATOM 0 H ALA A 28 -3.635 -6.700 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.788 -7.070 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.765 -8.329 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.025 -8.653 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.599 -7.562 -3.305 1.00 0.00 H new ATOM 399 N PHE A 29 -6.633 -5.056 -3.812 1.00 0.00 N ATOM 400 CA PHE A 29 -7.604 -4.047 -3.406 1.00 0.00 C ATOM 401 C PHE A 29 -7.639 -2.894 -4.406 1.00 0.00 C ATOM 402 O PHE A 29 -8.676 -2.606 -5.002 1.00 0.00 O ATOM 403 CB PHE A 29 -7.268 -3.517 -2.011 1.00 0.00 C ATOM 404 CG PHE A 29 -7.189 -4.592 -0.965 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.343 -5.139 -0.427 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.962 -5.055 -0.520 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.273 -6.128 0.537 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.885 -6.043 0.443 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.043 -6.581 0.971 1.00 0.00 C ATOM 0 H PHE A 29 -5.895 -5.230 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.588 -4.514 -3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.315 -2.989 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.023 -2.789 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.307 -4.789 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.054 -4.639 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.179 -6.546 0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.922 -6.394 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.986 -7.355 1.722 1.00 0.00 H new ATOM 419 N GLY A 30 -6.497 -2.236 -4.582 1.00 0.00 N ATOM 420 CA GLY A 30 -6.418 -1.122 -5.509 1.00 0.00 C ATOM 421 C GLY A 30 -5.070 -1.033 -6.195 1.00 0.00 C ATOM 422 O GLY A 30 -4.258 -1.954 -6.107 1.00 0.00 O ATOM 0 H GLY A 30 -5.625 -2.454 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.199 -1.224 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.611 -0.193 -4.973 1.00 0.00 H new ATOM 426 N VAL A 31 -4.830 0.079 -6.883 1.00 0.00 N ATOM 427 CA VAL A 31 -3.570 0.285 -7.588 1.00 0.00 C ATOM 428 C VAL A 31 -2.584 1.072 -6.732 1.00 0.00 C ATOM 429 O VAL A 31 -2.981 1.807 -5.828 1.00 0.00 O ATOM 430 CB VAL A 31 -3.787 1.029 -8.918 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.477 1.152 -9.682 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.839 0.322 -9.759 1.00 0.00 C ATOM 0 H VAL A 31 -5.491 0.851 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.158 -0.702 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.147 2.034 -8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.651 1.681 -10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.756 1.706 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.085 0.157 -9.894 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.979 0.862 -10.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.511 -0.695 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.782 0.292 -9.213 1.00 0.00 H new ATOM 442 N ILE A 32 -1.298 0.914 -7.025 1.00 0.00 N ATOM 443 CA ILE A 32 -0.255 1.611 -6.283 1.00 0.00 C ATOM 444 C ILE A 32 0.406 2.684 -7.142 1.00 0.00 C ATOM 445 O ILE A 32 0.717 2.455 -8.312 1.00 0.00 O ATOM 446 CB ILE A 32 0.826 0.636 -5.779 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.204 -0.416 -4.858 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.928 1.395 -5.056 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.160 -1.523 -4.474 1.00 0.00 C ATOM 0 H ILE A 32 -0.953 0.310 -7.771 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.738 2.080 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 32 1.265 0.127 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.156 0.073 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.664 -0.852 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.684 0.692 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.386 2.110 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.505 1.927 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.652 -2.232 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.501 -2.037 -5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.017 -1.098 -3.952 1.00 0.00 H new ATOM 461 N LEU A 33 0.621 3.856 -6.553 1.00 0.00 N ATOM 462 CA LEU A 33 1.247 4.966 -7.263 1.00 0.00 C ATOM 463 C LEU A 33 2.696 4.640 -7.612 1.00 0.00 C ATOM 464 O LEU A 33 3.166 4.956 -8.705 1.00 0.00 O ATOM 465 CB LEU A 33 1.188 6.237 -6.415 1.00 0.00 C ATOM 466 CG LEU A 33 -0.180 6.912 -6.311 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.119 8.100 -5.364 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.665 7.349 -7.686 1.00 0.00 C ATOM 0 H LEU A 33 0.371 4.062 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 33 0.697 5.130 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.528 5.994 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.896 6.957 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.890 6.189 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.102 8.567 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.184 7.760 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.605 8.825 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.640 7.827 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.046 8.055 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.749 6.478 -8.336 1.00 0.00 H new ATOM 480 N GLN A 34 3.396 4.005 -6.678 1.00 0.00 N ATOM 481 CA GLN A 34 4.791 3.635 -6.888 1.00 0.00 C ATOM 482 C GLN A 34 5.227 2.566 -5.892 1.00 0.00 C ATOM 483 O GLN A 34 4.665 2.452 -4.802 1.00 0.00 O ATOM 484 CB GLN A 34 5.691 4.865 -6.762 1.00 0.00 C ATOM 485 CG GLN A 34 5.707 5.467 -5.366 1.00 0.00 C ATOM 486 CD GLN A 34 6.326 6.850 -5.333 1.00 0.00 C ATOM 487 OE1 GLN A 34 5.945 7.732 -6.103 1.00 0.00 O ATOM 488 NE2 GLN A 34 7.287 7.048 -4.438 1.00 0.00 N ATOM 0 H GLN A 34 3.020 3.736 -5.769 1.00 0.00 H new ATOM 0 HA GLN A 34 4.885 3.227 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.708 4.591 -7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.358 5.623 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.687 5.521 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.262 4.809 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.572 6.289 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.740 7.959 -4.369 1.00 0.00 H new ATOM 497 N THR A 35 6.233 1.785 -6.272 1.00 0.00 N ATOM 498 CA THR A 35 6.744 0.724 -5.413 1.00 0.00 C ATOM 499 C THR A 35 6.736 1.151 -3.950 1.00 0.00 C ATOM 500 O THR A 35 7.085 2.280 -3.605 1.00 0.00 O ATOM 501 CB THR A 35 8.176 0.319 -5.811 1.00 0.00 C ATOM 502 OG1 THR A 35 8.191 -0.168 -7.157 1.00 0.00 O ATOM 503 CG2 THR A 35 8.716 -0.749 -4.873 1.00 0.00 C ATOM 0 H THR A 35 6.710 1.867 -7.170 1.00 0.00 H new ATOM 0 HA THR A 35 6.084 -0.134 -5.542 1.00 0.00 H new ATOM 0 HB THR A 35 8.813 1.200 -5.737 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.105 -0.422 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.728 -1.019 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.731 -0.364 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.077 -1.631 -4.919 1.00 0.00 H new ATOM 511 N PRO A 36 6.331 0.227 -3.065 1.00 0.00 N ATOM 512 CA PRO A 36 6.270 0.485 -1.623 1.00 0.00 C ATOM 513 C PRO A 36 7.655 0.616 -0.999 1.00 0.00 C ATOM 514 O PRO A 36 8.642 0.124 -1.545 1.00 0.00 O ATOM 515 CB PRO A 36 5.550 -0.749 -1.073 1.00 0.00 C ATOM 516 CG PRO A 36 5.824 -1.823 -2.068 1.00 0.00 C ATOM 517 CD PRO A 36 5.901 -1.140 -3.405 1.00 0.00 C ATOM 0 HA PRO A 36 5.767 1.425 -1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.925 -1.019 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.480 -0.569 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.757 -2.338 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.034 -2.574 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.613 -1.632 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.937 -1.143 -3.914 1.00 0.00 H new ATOM 525 N LYS A 37 7.720 1.283 0.149 1.00 0.00 N ATOM 526 CA LYS A 37 8.984 1.478 0.849 1.00 0.00 C ATOM 527 C LYS A 37 8.979 0.753 2.191 1.00 0.00 C ATOM 528 O LYS A 37 8.055 0.910 2.989 1.00 0.00 O ATOM 529 CB LYS A 37 9.246 2.970 1.065 1.00 0.00 C ATOM 530 CG LYS A 37 10.651 3.277 1.554 1.00 0.00 C ATOM 531 CD LYS A 37 11.656 3.251 0.415 1.00 0.00 C ATOM 532 CE LYS A 37 13.041 2.853 0.903 1.00 0.00 C ATOM 533 NZ LYS A 37 13.846 4.036 1.314 1.00 0.00 N ATOM 0 H LYS A 37 6.912 1.697 0.614 1.00 0.00 H new ATOM 0 HA LYS A 37 9.780 1.061 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.073 3.500 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.527 3.356 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.665 4.257 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.940 2.550 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.323 2.549 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.703 4.234 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.946 2.168 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.564 2.315 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.782 3.722 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.959 4.678 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.360 4.535 2.086 1.00 0.00 H new ATOM 547 N ILE A 38 10.018 -0.040 2.433 1.00 0.00 N ATOM 548 CA ILE A 38 10.134 -0.787 3.680 1.00 0.00 C ATOM 549 C ILE A 38 11.276 -0.252 4.537 1.00 0.00 C ATOM 550 O ILE A 38 12.435 -0.264 4.121 1.00 0.00 O ATOM 551 CB ILE A 38 10.362 -2.287 3.418 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.249 -2.847 2.530 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.432 -3.050 4.733 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.440 -4.303 2.168 1.00 0.00 C ATOM 0 H ILE A 38 10.791 -0.182 1.783 1.00 0.00 H new ATOM 0 HA ILE A 38 9.192 -0.659 4.214 1.00 0.00 H new ATOM 0 HB ILE A 38 11.312 -2.409 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.294 -2.731 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.194 -2.258 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.593 -4.109 4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.256 -2.665 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.496 -2.923 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.614 -4.633 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.379 -4.423 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.465 -4.904 3.077 1.00 0.00 H new ATOM 566 N MET A 39 10.942 0.214 5.735 1.00 0.00 N ATOM 567 CA MET A 39 11.941 0.750 6.652 1.00 0.00 C ATOM 568 C MET A 39 12.849 -0.358 7.175 1.00 0.00 C ATOM 569 O MET A 39 12.417 -1.498 7.348 1.00 0.00 O ATOM 570 CB MET A 39 11.260 1.462 7.823 1.00 0.00 C ATOM 571 CG MET A 39 10.343 2.596 7.395 1.00 0.00 C ATOM 572 SD MET A 39 11.145 3.748 6.263 1.00 0.00 S ATOM 573 CE MET A 39 9.724 4.428 5.410 1.00 0.00 C ATOM 0 H MET A 39 9.987 0.231 6.094 1.00 0.00 H new ATOM 0 HA MET A 39 12.552 1.468 6.105 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.683 0.735 8.394 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.025 1.857 8.492 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.456 2.180 6.916 1.00 0.00 H new ATOM 0 HG3 MET A 39 10.004 3.137 8.278 1.00 0.00 H new ATOM 0 HE1 MET A 39 10.060 5.036 4.570 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.098 3.616 5.042 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.148 5.047 6.098 1.00 0.00 H new ATOM 691 N LYS A 48 12.743 -3.229 9.477 1.00 0.00 N ATOM 692 CA LYS A 48 12.350 -2.513 10.685 1.00 0.00 C ATOM 693 C LYS A 48 11.089 -3.121 11.292 1.00 0.00 C ATOM 694 O LYS A 48 10.985 -3.274 12.508 1.00 0.00 O ATOM 695 CB LYS A 48 12.116 -1.034 10.374 1.00 0.00 C ATOM 696 CG LYS A 48 12.408 -0.112 11.545 1.00 0.00 C ATOM 697 CD LYS A 48 13.865 0.320 11.565 1.00 0.00 C ATOM 698 CE LYS A 48 14.092 1.468 12.536 1.00 0.00 C ATOM 699 NZ LYS A 48 14.238 0.989 13.938 1.00 0.00 N ATOM 0 HA LYS A 48 13.160 -2.602 11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.743 -0.745 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.080 -0.896 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.767 0.768 11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.165 -0.620 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.493 -0.526 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.170 0.624 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.987 2.018 12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.256 2.165 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.391 1.802 14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.374 0.486 14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.051 0.344 14.001 1.00 0.00 H new ATOM 713 N GLY A 49 10.134 -3.469 10.435 1.00 0.00 N ATOM 714 CA GLY A 49 8.894 -4.058 10.906 1.00 0.00 C ATOM 715 C GLY A 49 7.671 -3.376 10.324 1.00 0.00 C ATOM 716 O GLY A 49 6.600 -3.977 10.236 1.00 0.00 O ATOM 0 H GLY A 49 10.197 -3.354 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.875 -5.116 10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.857 -3.998 11.994 1.00 0.00 H new ATOM 720 N TYR A 50 7.829 -2.118 9.929 1.00 0.00 N ATOM 721 CA TYR A 50 6.728 -1.352 9.356 1.00 0.00 C ATOM 722 C TYR A 50 7.109 -0.788 7.991 1.00 0.00 C ATOM 723 O TYR A 50 8.273 -0.480 7.737 1.00 0.00 O ATOM 724 CB TYR A 50 6.327 -0.215 10.298 1.00 0.00 C ATOM 725 CG TYR A 50 7.477 0.688 10.680 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.419 0.287 11.619 1.00 0.00 C ATOM 727 CD2 TYR A 50 7.621 1.944 10.102 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.471 1.110 11.972 1.00 0.00 C ATOM 729 CE2 TYR A 50 8.671 2.773 10.448 1.00 0.00 C ATOM 730 CZ TYR A 50 9.593 2.352 11.384 1.00 0.00 C ATOM 731 OH TYR A 50 10.640 3.174 11.732 1.00 0.00 O ATOM 0 H TYR A 50 8.709 -1.606 9.995 1.00 0.00 H new ATOM 0 HA TYR A 50 5.879 -2.024 9.226 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.549 0.383 9.822 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.894 -0.640 11.203 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.327 -0.685 12.081 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.900 2.278 9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.194 0.783 12.704 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.769 3.745 9.988 1.00 0.00 H new ATOM 0 HH TYR A 50 10.581 4.011 11.226 1.00 0.00 H new ATOM 741 N ALA A 51 6.117 -0.653 7.117 1.00 0.00 N ATOM 742 CA ALA A 51 6.346 -0.123 5.778 1.00 0.00 C ATOM 743 C ALA A 51 5.287 0.911 5.409 1.00 0.00 C ATOM 744 O ALA A 51 4.254 1.019 6.070 1.00 0.00 O ATOM 745 CB ALA A 51 6.361 -1.252 4.759 1.00 0.00 C ATOM 0 H ALA A 51 5.148 -0.903 7.312 1.00 0.00 H new ATOM 0 HA ALA A 51 7.318 0.371 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.533 -0.842 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.158 -1.954 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.403 -1.771 4.777 1.00 0.00 H new ATOM 751 N PHE A 52 5.552 1.670 4.351 1.00 0.00 N ATOM 752 CA PHE A 52 4.622 2.697 3.895 1.00 0.00 C ATOM 753 C PHE A 52 4.226 2.465 2.440 1.00 0.00 C ATOM 754 O PHE A 52 5.083 2.290 1.573 1.00 0.00 O ATOM 755 CB PHE A 52 5.247 4.085 4.050 1.00 0.00 C ATOM 756 CG PHE A 52 5.583 4.436 5.472 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.570 3.743 6.154 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.913 5.458 6.124 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.881 4.063 7.463 1.00 0.00 C ATOM 760 CE2 PHE A 52 5.220 5.782 7.432 1.00 0.00 C ATOM 761 CZ PHE A 52 6.206 5.085 8.102 1.00 0.00 C ATOM 0 H PHE A 52 6.403 1.594 3.793 1.00 0.00 H new ATOM 0 HA PHE A 52 3.725 2.639 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.154 4.136 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.559 4.831 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.102 2.945 5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.142 6.008 5.604 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.651 3.514 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.689 6.580 7.930 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.449 5.338 9.123 1.00 0.00 H new ATOM 771 N ILE A 53 2.923 2.465 2.180 1.00 0.00 N ATOM 772 CA ILE A 53 2.413 2.255 0.831 1.00 0.00 C ATOM 773 C ILE A 53 1.378 3.313 0.464 1.00 0.00 C ATOM 774 O ILE A 53 0.493 3.632 1.257 1.00 0.00 O ATOM 775 CB ILE A 53 1.780 0.859 0.679 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.711 -0.212 1.252 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.472 0.574 -0.783 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.223 -1.624 1.018 1.00 0.00 C ATOM 0 H ILE A 53 2.201 2.608 2.886 1.00 0.00 H new ATOM 0 HA ILE A 53 3.265 2.334 0.156 1.00 0.00 H new ATOM 0 HB ILE A 53 0.845 0.837 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.699 -0.099 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.824 -0.048 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.025 -0.416 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.776 1.323 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.394 0.611 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.932 -2.330 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.248 -1.755 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.137 -1.806 -0.053 1.00 0.00 H new ATOM 790 N ASN A 54 1.495 3.853 -0.745 1.00 0.00 N ATOM 791 CA ASN A 54 0.569 4.874 -1.219 1.00 0.00 C ATOM 792 C ASN A 54 -0.259 4.357 -2.392 1.00 0.00 C ATOM 793 O ASN A 54 0.280 3.794 -3.345 1.00 0.00 O ATOM 794 CB ASN A 54 1.333 6.132 -1.636 1.00 0.00 C ATOM 795 CG ASN A 54 2.118 6.739 -0.489 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.308 6.107 0.551 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.579 7.971 -0.673 1.00 0.00 N ATOM 0 H ASN A 54 2.222 3.600 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.107 5.122 -0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.015 5.886 -2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.629 6.870 -2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.114 8.431 0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.398 8.457 -1.551 1.00 0.00 H new ATOM 804 N PHE A 55 -1.571 4.551 -2.314 1.00 0.00 N ATOM 805 CA PHE A 55 -2.474 4.104 -3.369 1.00 0.00 C ATOM 806 C PHE A 55 -2.717 5.216 -4.384 1.00 0.00 C ATOM 807 O PHE A 55 -2.317 6.361 -4.175 1.00 0.00 O ATOM 808 CB PHE A 55 -3.805 3.645 -2.769 1.00 0.00 C ATOM 809 CG PHE A 55 -3.827 2.188 -2.403 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.433 1.771 -1.142 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.242 1.236 -3.320 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.452 0.432 -0.803 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.263 -0.105 -2.987 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.869 -0.508 -1.726 1.00 0.00 C ATOM 0 H PHE A 55 -2.033 5.015 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.006 3.264 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.017 4.238 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.604 3.844 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.107 2.501 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.553 1.546 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.141 0.120 0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.587 -0.837 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.887 -1.555 -1.462 1.00 0.00 H new ATOM 824 N ALA A 56 -3.376 4.870 -5.485 1.00 0.00 N ATOM 825 CA ALA A 56 -3.674 5.838 -6.533 1.00 0.00 C ATOM 826 C ALA A 56 -4.940 6.624 -6.210 1.00 0.00 C ATOM 827 O ALA A 56 -4.981 7.845 -6.365 1.00 0.00 O ATOM 828 CB ALA A 56 -3.815 5.136 -7.876 1.00 0.00 C ATOM 0 H ALA A 56 -3.714 3.926 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.844 6.542 -6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.038 5.871 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.884 4.625 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.625 4.409 -7.823 1.00 0.00 H new ATOM 834 N SER A 57 -5.972 5.917 -5.762 1.00 0.00 N ATOM 835 CA SER A 57 -7.242 6.548 -5.421 1.00 0.00 C ATOM 836 C SER A 57 -7.522 6.433 -3.926 1.00 0.00 C ATOM 837 O SER A 57 -7.010 5.537 -3.254 1.00 0.00 O ATOM 838 CB SER A 57 -8.383 5.910 -6.216 1.00 0.00 C ATOM 839 OG SER A 57 -8.372 4.500 -6.080 1.00 0.00 O ATOM 0 H SER A 57 -5.954 4.906 -5.626 1.00 0.00 H new ATOM 0 HA SER A 57 -7.175 7.605 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.338 6.305 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.291 6.178 -7.269 1.00 0.00 H new ATOM 0 HG SER A 57 -9.111 4.116 -6.596 1.00 0.00 H new ATOM 845 N PHE A 58 -8.338 7.346 -3.411 1.00 0.00 N ATOM 846 CA PHE A 58 -8.687 7.349 -1.995 1.00 0.00 C ATOM 847 C PHE A 58 -9.552 6.141 -1.645 1.00 0.00 C ATOM 848 O PHE A 58 -9.397 5.540 -0.582 1.00 0.00 O ATOM 849 CB PHE A 58 -9.423 8.640 -1.631 1.00 0.00 C ATOM 850 CG PHE A 58 -9.263 9.037 -0.192 1.00 0.00 C ATOM 851 CD1 PHE A 58 -10.036 8.444 0.794 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.341 10.003 0.176 1.00 0.00 C ATOM 853 CE1 PHE A 58 -9.891 8.806 2.120 1.00 0.00 C ATOM 854 CE2 PHE A 58 -8.191 10.369 1.501 1.00 0.00 C ATOM 855 CZ PHE A 58 -8.968 9.770 2.474 1.00 0.00 C ATOM 0 H PHE A 58 -8.770 8.094 -3.953 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.763 7.291 -1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.058 9.448 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.484 8.518 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.760 7.690 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.732 10.476 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -10.499 8.335 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.467 11.122 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.854 10.055 3.509 1.00 0.00 H new ATOM 865 N ASP A 59 -10.463 5.793 -2.547 1.00 0.00 N ATOM 866 CA ASP A 59 -11.353 4.658 -2.336 1.00 0.00 C ATOM 867 C ASP A 59 -10.557 3.393 -2.031 1.00 0.00 C ATOM 868 O ASP A 59 -10.943 2.595 -1.177 1.00 0.00 O ATOM 869 CB ASP A 59 -12.233 4.436 -3.567 1.00 0.00 C ATOM 870 CG ASP A 59 -13.125 5.626 -3.862 1.00 0.00 C ATOM 871 OD1 ASP A 59 -12.601 6.660 -4.329 1.00 0.00 O ATOM 872 OD2 ASP A 59 -14.347 5.524 -3.627 1.00 0.00 O ATOM 0 H ASP A 59 -10.604 6.281 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.989 4.882 -1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.600 4.237 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.851 3.551 -3.414 1.00 0.00 H new ATOM 877 N ALA A 60 -9.444 3.216 -2.735 1.00 0.00 N ATOM 878 CA ALA A 60 -8.593 2.049 -2.539 1.00 0.00 C ATOM 879 C ALA A 60 -8.073 1.983 -1.107 1.00 0.00 C ATOM 880 O ALA A 60 -8.093 0.926 -0.476 1.00 0.00 O ATOM 881 CB ALA A 60 -7.433 2.069 -3.523 1.00 0.00 C ATOM 0 H ALA A 60 -9.110 3.866 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.194 1.158 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.806 1.191 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.820 2.059 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.840 2.971 -3.369 1.00 0.00 H new ATOM 887 N SER A 61 -7.605 3.119 -0.599 1.00 0.00 N ATOM 888 CA SER A 61 -7.075 3.190 0.757 1.00 0.00 C ATOM 889 C SER A 61 -8.144 2.813 1.779 1.00 0.00 C ATOM 890 O SER A 61 -7.837 2.301 2.855 1.00 0.00 O ATOM 891 CB SER A 61 -6.548 4.596 1.049 1.00 0.00 C ATOM 892 OG SER A 61 -5.536 4.962 0.127 1.00 0.00 O ATOM 0 H SER A 61 -7.582 4.003 -1.107 1.00 0.00 H new ATOM 0 HA SER A 61 -6.253 2.478 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.367 5.313 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.152 4.636 2.064 1.00 0.00 H new ATOM 0 HG SER A 61 -5.217 5.865 0.333 1.00 0.00 H new ATOM 898 N ASP A 62 -9.401 3.070 1.433 1.00 0.00 N ATOM 899 CA ASP A 62 -10.517 2.758 2.318 1.00 0.00 C ATOM 900 C ASP A 62 -10.714 1.250 2.432 1.00 0.00 C ATOM 901 O ASP A 62 -10.883 0.718 3.529 1.00 0.00 O ATOM 902 CB ASP A 62 -11.800 3.416 1.807 1.00 0.00 C ATOM 903 CG ASP A 62 -12.895 3.440 2.855 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.832 4.301 3.757 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.813 2.598 2.774 1.00 0.00 O ATOM 0 H ASP A 62 -9.672 3.494 0.546 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.286 3.152 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.581 4.436 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.155 2.879 0.927 1.00 0.00 H new ATOM 910 N ALA A 63 -10.692 0.567 1.292 1.00 0.00 N ATOM 911 CA ALA A 63 -10.868 -0.880 1.265 1.00 0.00 C ATOM 912 C ALA A 63 -9.890 -1.569 2.210 1.00 0.00 C ATOM 913 O ALA A 63 -10.284 -2.401 3.027 1.00 0.00 O ATOM 914 CB ALA A 63 -10.695 -1.405 -0.153 1.00 0.00 C ATOM 0 H ALA A 63 -10.554 0.992 0.375 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.879 -1.106 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.829 -2.487 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.437 -0.944 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.695 -1.161 -0.512 1.00 0.00 H new ATOM 920 N ALA A 64 -8.613 -1.219 2.092 1.00 0.00 N ATOM 921 CA ALA A 64 -7.580 -1.804 2.937 1.00 0.00 C ATOM 922 C ALA A 64 -7.885 -1.578 4.414 1.00 0.00 C ATOM 923 O ALA A 64 -8.122 -2.528 5.161 1.00 0.00 O ATOM 924 CB ALA A 64 -6.218 -1.224 2.583 1.00 0.00 C ATOM 0 H ALA A 64 -8.270 -0.533 1.419 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.564 -2.879 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.456 -1.670 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.990 -1.442 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.232 -0.145 2.734 1.00 0.00 H new ATOM 930 N ILE A 65 -7.878 -0.316 4.829 1.00 0.00 N ATOM 931 CA ILE A 65 -8.155 0.034 6.216 1.00 0.00 C ATOM 932 C ILE A 65 -9.373 -0.720 6.741 1.00 0.00 C ATOM 933 O ILE A 65 -9.522 -0.914 7.946 1.00 0.00 O ATOM 934 CB ILE A 65 -8.392 1.547 6.379 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.077 2.312 6.220 1.00 0.00 C ATOM 936 CG2 ILE A 65 -9.022 1.842 7.733 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.263 3.751 5.793 1.00 0.00 C ATOM 0 H ILE A 65 -7.683 0.482 4.224 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.277 -0.252 6.795 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.079 1.878 5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.536 2.289 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.455 1.801 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.183 2.915 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.977 1.323 7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.357 1.499 8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.289 4.232 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.776 3.782 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.858 4.278 6.539 1.00 0.00 H new ATOM 949 N GLU A 66 -10.239 -1.143 5.825 1.00 0.00 N ATOM 950 CA GLU A 66 -11.444 -1.876 6.196 1.00 0.00 C ATOM 951 C GLU A 66 -11.144 -3.363 6.369 1.00 0.00 C ATOM 952 O GLU A 66 -11.477 -3.959 7.393 1.00 0.00 O ATOM 953 CB GLU A 66 -12.531 -1.684 5.137 1.00 0.00 C ATOM 954 CG GLU A 66 -13.940 -1.887 5.668 1.00 0.00 C ATOM 955 CD GLU A 66 -15.004 -1.439 4.684 1.00 0.00 C ATOM 956 OE1 GLU A 66 -15.398 -0.255 4.737 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.442 -2.272 3.863 1.00 0.00 O ATOM 0 H GLU A 66 -10.129 -0.991 4.822 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.800 -1.481 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.449 -0.679 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.356 -2.382 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.088 -2.941 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.056 -1.334 6.600 1.00 0.00 H new ATOM 964 N ALA A 67 -10.513 -3.954 5.360 1.00 0.00 N ATOM 965 CA ALA A 67 -10.166 -5.369 5.401 1.00 0.00 C ATOM 966 C ALA A 67 -8.713 -5.567 5.820 1.00 0.00 C ATOM 967 O ALA A 67 -8.430 -6.231 6.817 1.00 0.00 O ATOM 968 CB ALA A 67 -10.419 -6.013 4.046 1.00 0.00 C ATOM 0 H ALA A 67 -10.232 -3.475 4.504 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.800 -5.852 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.156 -7.070 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.473 -5.912 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.810 -5.519 3.289 1.00 0.00 H new ATOM 974 N MET A 68 -7.797 -4.988 5.051 1.00 0.00 N ATOM 975 CA MET A 68 -6.373 -5.102 5.344 1.00 0.00 C ATOM 976 C MET A 68 -6.098 -4.833 6.820 1.00 0.00 C ATOM 977 O MET A 68 -5.205 -5.435 7.414 1.00 0.00 O ATOM 978 CB MET A 68 -5.573 -4.126 4.479 1.00 0.00 C ATOM 979 CG MET A 68 -5.170 -4.699 3.129 1.00 0.00 C ATOM 980 SD MET A 68 -3.572 -5.531 3.178 1.00 0.00 S ATOM 981 CE MET A 68 -4.085 -7.242 3.313 1.00 0.00 C ATOM 0 H MET A 68 -8.015 -4.436 4.221 1.00 0.00 H new ATOM 0 HA MET A 68 -6.061 -6.121 5.114 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.165 -3.225 4.320 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.675 -3.826 5.020 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.932 -5.403 2.795 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.135 -3.895 2.393 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.765 -7.643 4.275 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.171 -7.303 3.237 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.632 -7.822 2.509 1.00 0.00 H new ATOM 991 N ASN A 69 -6.872 -3.925 7.406 1.00 0.00 N ATOM 992 CA ASN A 69 -6.711 -3.577 8.813 1.00 0.00 C ATOM 993 C ASN A 69 -6.944 -4.792 9.705 1.00 0.00 C ATOM 994 O ASN A 69 -8.046 -5.004 10.209 1.00 0.00 O ATOM 995 CB ASN A 69 -7.680 -2.456 9.196 1.00 0.00 C ATOM 996 CG ASN A 69 -7.618 -2.118 10.673 1.00 0.00 C ATOM 997 OD1 ASN A 69 -8.220 -2.800 11.503 1.00 0.00 O ATOM 998 ND2 ASN A 69 -6.887 -1.062 11.008 1.00 0.00 N ATOM 0 H ASN A 69 -7.617 -3.417 6.928 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.688 -3.231 8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.449 -1.565 8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.696 -2.753 8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.807 -0.787 11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.405 -0.526 10.287 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.897 -5.589 9.895 1.00 0.00 N ATOM 1006 CA GLY A 70 -6.007 -6.774 10.726 1.00 0.00 C ATOM 1007 C GLY A 70 -5.719 -8.049 9.959 1.00 0.00 C ATOM 1008 O GLY A 70 -5.329 -9.058 10.546 1.00 0.00 O ATOM 0 H GLY A 70 -4.974 -5.435 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.313 -6.693 11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.011 -6.826 11.148 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.912 -8.004 8.645 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.672 -9.166 7.798 1.00 0.00 C ATOM 1014 C GLN A 71 -4.443 -9.938 8.268 1.00 0.00 C ATOM 1015 O GLN A 71 -3.359 -9.373 8.409 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.491 -8.734 6.342 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.790 -8.692 5.554 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.247 -10.067 5.109 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.700 -10.642 4.168 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -8.256 -10.603 5.786 1.00 0.00 N ATOM 0 H GLN A 71 -6.234 -7.176 8.144 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.540 -9.821 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.030 -7.747 6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.800 -9.420 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.567 -8.235 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.659 -8.056 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.680 -10.091 6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.607 -11.527 5.532 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.621 -11.232 8.510 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.527 -12.081 8.967 1.00 0.00 C ATOM 1031 C TYR A 72 -2.522 -12.327 7.846 1.00 0.00 C ATOM 1032 O TYR A 72 -2.743 -13.164 6.970 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.071 -13.416 9.481 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.245 -14.017 10.596 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.306 -13.504 11.886 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.403 -15.096 10.360 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.553 -14.049 12.908 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.647 -15.649 11.375 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.725 -15.122 12.648 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.973 -15.668 13.662 1.00 0.00 O ATOM 0 H TYR A 72 -5.512 -11.716 8.397 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.017 -11.566 9.781 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.092 -13.271 9.834 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.117 -14.123 8.653 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.953 -12.665 12.093 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.338 -15.510 9.365 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.612 -13.638 13.905 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.999 -16.489 11.174 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.446 -16.416 13.312 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.417 -11.591 7.880 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.376 -11.727 6.868 1.00 0.00 C ATOM 1052 C LEU A 73 0.651 -12.777 7.281 1.00 0.00 C ATOM 1053 O LEU A 73 0.683 -13.209 8.434 1.00 0.00 O ATOM 1054 CB LEU A 73 0.318 -10.383 6.636 1.00 0.00 C ATOM 1055 CG LEU A 73 1.058 -10.230 5.307 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.086 -10.323 4.141 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.817 -8.912 5.268 1.00 0.00 C ATOM 0 H LEU A 73 -1.219 -10.894 8.598 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.847 -12.050 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.431 -9.594 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.029 -10.220 7.446 1.00 0.00 H new ATOM 0 HG LEU A 73 1.778 -11.043 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.631 -10.212 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.412 -11.293 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.659 -9.531 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.338 -8.820 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.116 -8.085 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.542 -8.885 6.082 1.00 0.00 H new ATOM 1069 N CYS A 74 1.489 -13.183 6.333 1.00 0.00 N ATOM 1070 CA CYS A 74 2.518 -14.181 6.599 1.00 0.00 C ATOM 1071 C CYS A 74 2.909 -14.180 8.073 1.00 0.00 C ATOM 1072 O CYS A 74 3.811 -13.453 8.485 1.00 0.00 O ATOM 1073 CB CYS A 74 3.750 -13.917 5.732 1.00 0.00 C ATOM 1074 SG CYS A 74 3.671 -14.667 4.088 1.00 0.00 S ATOM 0 H CYS A 74 1.476 -12.836 5.374 1.00 0.00 H new ATOM 0 HA CYS A 74 2.111 -15.161 6.351 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.880 -12.840 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.632 -14.294 6.249 1.00 0.00 H new ATOM 0 HG CYS A 74 4.756 -14.386 3.430 1.00 0.00 H new ATOM 1080 N ASN A 75 2.223 -15.000 8.862 1.00 0.00 N ATOM 1081 CA ASN A 75 2.497 -15.092 10.292 1.00 0.00 C ATOM 1082 C ASN A 75 2.795 -13.716 10.878 1.00 0.00 C ATOM 1083 O ASN A 75 3.818 -13.517 11.533 1.00 0.00 O ATOM 1084 CB ASN A 75 3.675 -16.034 10.546 1.00 0.00 C ATOM 1085 CG ASN A 75 3.283 -17.495 10.437 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.388 -18.251 11.402 1.00 0.00 O ATOM 1087 ND2 ASN A 75 2.827 -17.898 9.256 1.00 0.00 N ATOM 0 H ASN A 75 1.474 -15.610 8.536 1.00 0.00 H new ATOM 0 HA ASN A 75 1.609 -15.491 10.783 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.469 -15.820 9.830 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.081 -15.843 11.539 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.547 -18.870 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.757 -17.236 8.483 1.00 0.00 H new ATOM 1094 N ARG A 76 1.894 -12.768 10.638 1.00 0.00 N ATOM 1095 CA ARG A 76 2.061 -11.410 11.142 1.00 0.00 C ATOM 1096 C ARG A 76 0.833 -10.561 10.830 1.00 0.00 C ATOM 1097 O ARG A 76 0.564 -10.212 9.680 1.00 0.00 O ATOM 1098 CB ARG A 76 3.308 -10.767 10.532 1.00 0.00 C ATOM 1099 CG ARG A 76 4.588 -11.086 11.287 1.00 0.00 C ATOM 1100 CD ARG A 76 5.534 -9.896 11.305 1.00 0.00 C ATOM 1101 NE ARG A 76 6.871 -10.266 11.761 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.151 -10.613 13.013 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.192 -10.637 13.928 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.393 -10.938 13.351 1.00 0.00 N ATOM 0 H ARG A 76 1.041 -12.916 10.098 1.00 0.00 H new ATOM 0 HA ARG A 76 2.180 -11.462 12.224 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.412 -11.102 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.172 -9.686 10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.346 -11.376 12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.083 -11.939 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.598 -9.469 10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.130 -9.122 11.957 1.00 0.00 H new ATOM 0 HE ARG A 76 7.632 -10.258 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.236 -10.389 13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.410 -10.904 14.888 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.133 -10.921 12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.607 -11.204 14.312 1.00 0.00 H new ATOM 1118 N PRO A 77 0.068 -10.219 11.878 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.144 -9.406 11.741 1.00 0.00 C ATOM 1120 C PRO A 77 -0.834 -7.959 11.371 1.00 0.00 C ATOM 1121 O PRO A 77 -0.417 -7.168 12.218 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.778 -9.477 13.133 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.640 -9.750 14.054 1.00 0.00 C ATOM 1124 CD PRO A 77 0.328 -10.599 13.276 1.00 0.00 C ATOM 0 HA PRO A 77 -1.791 -9.771 10.943 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.278 -8.543 13.388 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.529 -10.266 13.186 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.170 -8.822 14.380 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.980 -10.268 14.951 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.360 -10.396 13.562 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.154 -11.662 13.442 1.00 0.00 H new ATOM 1132 N ILE A 78 -1.039 -7.621 10.103 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.782 -6.269 9.622 1.00 0.00 C ATOM 1134 C ILE A 78 -1.840 -5.295 10.129 1.00 0.00 C ATOM 1135 O ILE A 78 -2.937 -5.698 10.517 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.746 -6.216 8.083 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -2.139 -6.483 7.510 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.258 -7.222 7.542 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -2.261 -6.152 6.039 1.00 0.00 C ATOM 0 H ILE A 78 -1.382 -8.264 9.390 1.00 0.00 H new ATOM 0 HA ILE A 78 0.194 -5.976 10.010 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.432 -5.219 7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.389 -7.533 7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.871 -5.898 8.068 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.272 -7.173 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.250 -6.990 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.028 -8.226 7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.275 -6.366 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.042 -5.095 5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.554 -6.756 5.470 1.00 0.00 H new ATOM 1151 N THR A 79 -1.505 -4.009 10.121 1.00 0.00 N ATOM 1152 CA THR A 79 -2.426 -2.976 10.579 1.00 0.00 C ATOM 1153 C THR A 79 -2.348 -1.737 9.694 1.00 0.00 C ATOM 1154 O THR A 79 -1.333 -1.041 9.671 1.00 0.00 O ATOM 1155 CB THR A 79 -2.135 -2.570 12.036 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.760 -2.197 12.176 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.456 -3.711 12.990 1.00 0.00 C ATOM 0 H THR A 79 -0.602 -3.658 9.802 1.00 0.00 H new ATOM 0 HA THR A 79 -3.429 -3.399 10.520 1.00 0.00 H new ATOM 0 HB THR A 79 -2.769 -1.719 12.286 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.456 -1.755 11.356 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.243 -3.401 14.013 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.511 -3.973 12.903 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.845 -4.578 12.739 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.426 -1.467 8.965 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.480 -0.311 8.079 1.00 0.00 C ATOM 1167 C VAL A 80 -4.165 0.870 8.757 1.00 0.00 C ATOM 1168 O VAL A 80 -5.249 0.731 9.323 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.225 -0.640 6.771 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.048 0.481 5.759 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.742 -1.966 6.203 1.00 0.00 C ATOM 0 H VAL A 80 -4.274 -2.034 8.971 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.449 -0.044 7.845 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.289 -0.732 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.581 0.231 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.448 1.408 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.988 0.609 5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.278 -2.183 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.673 -1.906 5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.928 -2.761 6.926 1.00 0.00 H new ATOM 1181 N SER A 81 -3.524 2.033 8.696 1.00 0.00 N ATOM 1182 CA SER A 81 -4.070 3.239 9.308 1.00 0.00 C ATOM 1183 C SER A 81 -3.550 4.489 8.603 1.00 0.00 C ATOM 1184 O SER A 81 -2.345 4.651 8.411 1.00 0.00 O ATOM 1185 CB SER A 81 -3.709 3.291 10.794 1.00 0.00 C ATOM 1186 OG SER A 81 -4.379 2.273 11.517 1.00 0.00 O ATOM 0 H SER A 81 -2.627 2.166 8.229 1.00 0.00 H new ATOM 0 HA SER A 81 -5.155 3.209 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.632 3.178 10.914 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.974 4.266 11.202 1.00 0.00 H new ATOM 0 HG SER A 81 -4.880 1.705 10.895 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.469 5.368 8.220 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.105 6.603 7.534 1.00 0.00 C ATOM 1194 C TYR A 82 -2.931 7.287 8.228 1.00 0.00 C ATOM 1195 O TYR A 82 -2.990 7.586 9.420 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.303 7.552 7.478 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.229 7.291 6.312 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.819 7.529 5.006 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.515 6.805 6.517 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.663 7.292 3.938 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.365 6.564 5.454 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.934 6.810 4.167 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.777 6.572 3.106 1.00 0.00 O ATOM 0 H TYR A 82 -5.471 5.249 8.372 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.804 6.349 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.868 7.465 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.940 8.578 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.824 7.906 4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.856 6.612 7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.329 7.483 2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.361 6.185 5.630 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.834 7.375 2.547 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.866 7.532 7.472 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.679 8.183 8.012 1.00 0.00 C ATOM 1215 C ALA A 83 -1.058 9.312 8.964 1.00 0.00 C ATOM 1216 O ALA A 83 -0.432 9.493 10.009 1.00 0.00 O ATOM 1217 CB ALA A 83 0.192 8.712 6.883 1.00 0.00 C ATOM 0 H ALA A 83 -1.801 7.289 6.483 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.113 7.442 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.075 9.196 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.500 7.885 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.374 9.435 6.295 1.00 0.00 H new