USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -145:sc= 0.946 USER MOD Set 1.2: A 74 ASN : amide:sc= 1.03 X(o=2,f=1.7) USER MOD Set 2.1: A 3 MET CE :methyl -141:sc= -0.128 (180deg=-0.656) USER MOD Set 2.2: A 34 LYS NZ :NH3+ 152:sc= 1.12 (180deg=-0.124) USER MOD Set 2.3: A 59 GLN : amide:sc= 1.51 K(o=2.5,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.125 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= -1.33! (180deg=-1.38!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -162:sc= -0.0918 (180deg=-0.536) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.382 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.475 K(o=0.47,f=-0.3) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 57 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.12) USER MOD Single : A 67 SER OG : rot 40:sc= 0.22 USER MOD Single : A 73 GLN : amide:sc= -2.24 K(o=-2.2,f=0.16) USER MOD Single : A 78 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 82 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 83 THR OG1 : rot 80:sc= -1.47! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.806 -14.358 -3.946 1.00 0.00 N ATOM 2 CA GLY A 1 12.473 -13.750 -2.669 1.00 0.00 C ATOM 3 C GLY A 1 12.820 -12.295 -2.689 1.00 0.00 C ATOM 4 O GLY A 1 12.780 -11.677 -3.758 1.00 0.00 O ATOM 0 H1 GLY A 1 12.002 -14.927 -4.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.016 -13.613 -4.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.639 -14.970 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.410 -13.876 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.015 -14.250 -1.866 1.00 0.00 H new ATOM 10 N HIS A 2 13.199 -11.754 -1.534 1.00 0.00 N ATOM 11 CA HIS A 2 13.520 -10.333 -1.372 1.00 0.00 C ATOM 12 C HIS A 2 12.375 -9.463 -1.825 1.00 0.00 C ATOM 13 O HIS A 2 12.466 -8.736 -2.816 1.00 0.00 O ATOM 14 CB HIS A 2 14.849 -9.926 -2.028 1.00 0.00 C ATOM 15 CG HIS A 2 16.054 -10.500 -1.353 1.00 0.00 C ATOM 16 ND1 HIS A 2 16.808 -11.531 -1.863 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.645 -10.145 -0.189 1.00 0.00 C ATOM 18 CE1 HIS A 2 17.813 -11.770 -1.019 1.00 0.00 C ATOM 19 NE2 HIS A 2 17.760 -10.950 0.024 1.00 0.00 N ATOM 0 H HIS A 2 13.294 -12.293 -0.673 1.00 0.00 H new ATOM 0 HA HIS A 2 13.665 -10.170 -0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.842 -10.244 -3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 2 14.926 -8.839 -2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 2 16.305 -9.361 0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 2 18.568 -12.528 -1.164 1.00 0.00 H new ATOM 0 HE2 HIS A 2 18.402 -10.917 0.816 1.00 0.00 H new ATOM 27 N MET A 3 11.282 -9.618 -1.117 1.00 0.00 N ATOM 28 CA MET A 3 10.041 -8.943 -1.353 1.00 0.00 C ATOM 29 C MET A 3 9.346 -9.394 -2.627 1.00 0.00 C ATOM 30 O MET A 3 9.605 -8.923 -3.737 1.00 0.00 O ATOM 31 CB MET A 3 10.119 -7.430 -1.176 1.00 0.00 C ATOM 32 CG MET A 3 8.793 -6.734 -1.425 1.00 0.00 C ATOM 33 SD MET A 3 8.743 -5.031 -0.831 1.00 0.00 S ATOM 34 CE MET A 3 8.809 -5.310 0.944 1.00 0.00 C ATOM 0 H MET A 3 11.239 -10.253 -0.320 1.00 0.00 H new ATOM 0 HA MET A 3 9.378 -9.265 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.457 -7.205 -0.164 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.868 -7.028 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.584 -6.742 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.999 -7.302 -0.941 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.149 -4.604 1.448 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.488 -6.328 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.830 -5.167 1.297 1.00 0.00 H new ATOM 44 N GLU A 4 8.486 -10.331 -2.424 1.00 0.00 N ATOM 45 CA GLU A 4 7.675 -10.945 -3.427 1.00 0.00 C ATOM 46 C GLU A 4 6.466 -10.113 -3.614 1.00 0.00 C ATOM 47 O GLU A 4 5.703 -9.943 -2.686 1.00 0.00 O ATOM 48 CB GLU A 4 7.297 -12.323 -2.934 1.00 0.00 C ATOM 49 CG GLU A 4 6.367 -13.110 -3.818 1.00 0.00 C ATOM 50 CD GLU A 4 6.253 -14.522 -3.341 1.00 0.00 C ATOM 51 OE1 GLU A 4 7.116 -15.343 -3.716 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.327 -14.836 -2.564 1.00 0.00 O ATOM 0 H GLU A 4 8.317 -10.716 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 4 8.202 -11.030 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.211 -12.901 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.834 -12.221 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.382 -12.643 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.734 -13.096 -4.844 1.00 0.00 H new ATOM 59 N LEU A 5 6.325 -9.552 -4.775 1.00 0.00 N ATOM 60 CA LEU A 5 5.215 -8.689 -5.054 1.00 0.00 C ATOM 61 C LEU A 5 4.032 -9.507 -5.519 1.00 0.00 C ATOM 62 O LEU A 5 4.178 -10.429 -6.345 1.00 0.00 O ATOM 63 CB LEU A 5 5.572 -7.606 -6.095 1.00 0.00 C ATOM 64 CG LEU A 5 6.799 -6.717 -5.803 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.796 -6.213 -4.380 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.119 -7.394 -6.156 1.00 0.00 C ATOM 0 H LEU A 5 6.972 -9.677 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 5 4.954 -8.171 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.734 -8.100 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.706 -6.955 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 5 6.713 -5.852 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.675 -5.591 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.896 -5.624 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.815 -7.060 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.945 -6.721 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.226 -8.309 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.131 -7.637 -7.218 1.00 0.00 H new ATOM 78 N PHE A 6 2.898 -9.203 -4.977 1.00 0.00 N ATOM 79 CA PHE A 6 1.676 -9.884 -5.275 1.00 0.00 C ATOM 80 C PHE A 6 0.512 -8.906 -5.330 1.00 0.00 C ATOM 81 O PHE A 6 0.476 -7.924 -4.593 1.00 0.00 O ATOM 82 CB PHE A 6 1.398 -11.004 -4.255 1.00 0.00 C ATOM 83 CG PHE A 6 1.659 -10.643 -2.832 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.706 -9.966 -2.095 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.860 -10.978 -2.232 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.945 -9.623 -0.781 1.00 0.00 C ATOM 87 CE2 PHE A 6 3.104 -10.642 -0.926 1.00 0.00 C ATOM 88 CZ PHE A 6 2.147 -9.962 -0.194 1.00 0.00 C ATOM 0 H PHE A 6 2.791 -8.452 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 6 1.783 -10.345 -6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.356 -11.311 -4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 6 2.010 -11.869 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.236 -9.703 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.611 -11.509 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.195 -9.092 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.045 -10.908 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.340 -9.697 0.835 1.00 0.00 H new ATOM 98 N PRO A 7 -0.427 -9.143 -6.215 1.00 0.00 N ATOM 99 CA PRO A 7 -1.586 -8.297 -6.363 1.00 0.00 C ATOM 100 C PRO A 7 -2.711 -8.644 -5.391 1.00 0.00 C ATOM 101 O PRO A 7 -3.106 -9.815 -5.232 1.00 0.00 O ATOM 102 CB PRO A 7 -2.028 -8.591 -7.770 1.00 0.00 C ATOM 103 CG PRO A 7 -1.668 -10.031 -7.976 1.00 0.00 C ATOM 104 CD PRO A 7 -0.428 -10.260 -7.173 1.00 0.00 C ATOM 0 HA PRO A 7 -1.351 -7.252 -6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.098 -8.427 -7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.522 -7.947 -8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.474 -10.687 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.495 -10.244 -9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.451 -11.224 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.463 -10.252 -7.800 1.00 0.00 H new ATOM 112 N VAL A 8 -3.197 -7.652 -4.735 1.00 0.00 N ATOM 113 CA VAL A 8 -4.325 -7.793 -3.890 1.00 0.00 C ATOM 114 C VAL A 8 -5.435 -6.958 -4.472 1.00 0.00 C ATOM 115 O VAL A 8 -5.357 -5.729 -4.463 1.00 0.00 O ATOM 116 CB VAL A 8 -4.047 -7.313 -2.447 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.215 -7.622 -1.525 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.744 -7.876 -1.914 1.00 0.00 C ATOM 0 H VAL A 8 -2.816 -6.707 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.587 -8.850 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.938 -6.229 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.987 -7.271 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.110 -7.118 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.387 -8.698 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.581 -7.517 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.792 -8.965 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.920 -7.551 -2.550 1.00 0.00 H new ATOM 128 N GLU A 9 -6.413 -7.601 -5.030 1.00 0.00 N ATOM 129 CA GLU A 9 -7.540 -6.910 -5.577 1.00 0.00 C ATOM 130 C GLU A 9 -8.545 -6.745 -4.465 1.00 0.00 C ATOM 131 O GLU A 9 -9.160 -7.717 -4.025 1.00 0.00 O ATOM 132 CB GLU A 9 -8.137 -7.685 -6.756 1.00 0.00 C ATOM 133 CG GLU A 9 -9.322 -7.002 -7.428 1.00 0.00 C ATOM 134 CD GLU A 9 -9.857 -7.804 -8.581 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.597 -8.781 -8.352 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.540 -7.490 -9.746 1.00 0.00 O ATOM 0 H GLU A 9 -6.453 -8.616 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.243 -5.936 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.357 -7.846 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.452 -8.668 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.114 -6.848 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.019 -6.017 -7.782 1.00 0.00 H new ATOM 143 N LEU A 10 -8.674 -5.549 -3.982 1.00 0.00 N ATOM 144 CA LEU A 10 -9.532 -5.289 -2.877 1.00 0.00 C ATOM 145 C LEU A 10 -10.798 -4.714 -3.437 1.00 0.00 C ATOM 146 O LEU A 10 -10.742 -3.934 -4.386 1.00 0.00 O ATOM 147 CB LEU A 10 -8.868 -4.237 -1.992 1.00 0.00 C ATOM 148 CG LEU A 10 -9.089 -4.295 -0.468 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.553 -4.386 -0.087 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.281 -5.417 0.142 1.00 0.00 C ATOM 0 H LEU A 10 -8.187 -4.729 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.728 -6.192 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.794 -4.287 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.203 -3.259 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.733 -3.351 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.645 -4.424 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.083 -3.512 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.986 -5.288 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.449 -5.443 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.588 -6.367 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.222 -5.252 -0.056 1.00 0.00 H new ATOM 162 N GLU A 11 -11.915 -5.115 -2.910 1.00 0.00 N ATOM 163 CA GLU A 11 -13.160 -4.524 -3.277 1.00 0.00 C ATOM 164 C GLU A 11 -13.671 -3.708 -2.095 1.00 0.00 C ATOM 165 O GLU A 11 -14.405 -4.211 -1.236 1.00 0.00 O ATOM 166 CB GLU A 11 -14.166 -5.590 -3.709 1.00 0.00 C ATOM 167 CG GLU A 11 -15.488 -5.044 -4.216 1.00 0.00 C ATOM 168 CD GLU A 11 -16.393 -6.140 -4.688 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.240 -6.584 -5.841 1.00 0.00 O ATOM 170 OE2 GLU A 11 -17.268 -6.590 -3.914 1.00 0.00 O ATOM 0 H GLU A 11 -11.986 -5.859 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.022 -3.865 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.715 -6.199 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.361 -6.250 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.979 -4.483 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.305 -4.346 -5.033 1.00 0.00 H new ATOM 177 N LYS A 12 -13.149 -2.505 -1.981 1.00 0.00 N ATOM 178 CA LYS A 12 -13.516 -1.591 -0.974 1.00 0.00 C ATOM 179 C LYS A 12 -14.853 -0.886 -1.247 1.00 0.00 C ATOM 180 O LYS A 12 -15.447 -1.009 -2.323 1.00 0.00 O ATOM 181 CB LYS A 12 -12.382 -0.591 -0.736 1.00 0.00 C ATOM 182 CG LYS A 12 -11.725 -0.756 0.626 1.00 0.00 C ATOM 183 CD LYS A 12 -12.738 -0.363 1.695 1.00 0.00 C ATOM 184 CE LYS A 12 -12.234 -0.109 3.103 1.00 0.00 C ATOM 185 NZ LYS A 12 -13.149 0.894 3.721 1.00 0.00 N ATOM 0 H LYS A 12 -12.437 -2.146 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.678 -2.165 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.629 -0.711 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.773 0.423 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.402 -1.787 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.835 -0.130 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.246 0.540 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.489 -1.151 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.227 -1.032 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.210 0.264 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.827 1.110 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.145 1.765 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.114 0.508 3.756 1.00 0.00 H new ATOM 199 N ASP A 13 -15.292 -0.160 -0.236 1.00 0.00 N ATOM 200 CA ASP A 13 -16.528 0.584 -0.198 1.00 0.00 C ATOM 201 C ASP A 13 -16.384 1.817 -1.094 1.00 0.00 C ATOM 202 O ASP A 13 -15.262 2.183 -1.463 1.00 0.00 O ATOM 203 CB ASP A 13 -16.765 1.071 1.260 1.00 0.00 C ATOM 204 CG ASP A 13 -16.622 -0.014 2.348 1.00 0.00 C ATOM 205 OD1 ASP A 13 -17.622 -0.692 2.676 1.00 0.00 O ATOM 206 OD2 ASP A 13 -15.489 -0.179 2.919 1.00 0.00 O ATOM 0 H ASP A 13 -14.760 -0.072 0.630 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.355 -0.041 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.061 1.874 1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.766 1.498 1.325 1.00 0.00 H new ATOM 211 N GLU A 14 -17.492 2.503 -1.389 1.00 0.00 N ATOM 212 CA GLU A 14 -17.434 3.714 -2.235 1.00 0.00 C ATOM 213 C GLU A 14 -16.720 4.842 -1.496 1.00 0.00 C ATOM 214 O GLU A 14 -16.217 5.789 -2.102 1.00 0.00 O ATOM 215 CB GLU A 14 -18.830 4.188 -2.664 1.00 0.00 C ATOM 216 CG GLU A 14 -19.742 4.577 -1.514 1.00 0.00 C ATOM 217 CD GLU A 14 -20.990 5.254 -1.978 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.964 4.562 -2.332 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.019 6.499 -2.020 1.00 0.00 O ATOM 0 H GLU A 14 -18.426 2.253 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.878 3.449 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.721 5.044 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.309 3.395 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.006 3.685 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.204 5.239 -0.836 1.00 0.00 H new ATOM 226 N ASP A 15 -16.696 4.717 -0.182 1.00 0.00 N ATOM 227 CA ASP A 15 -16.037 5.662 0.709 1.00 0.00 C ATOM 228 C ASP A 15 -14.535 5.669 0.459 1.00 0.00 C ATOM 229 O ASP A 15 -13.871 6.698 0.573 1.00 0.00 O ATOM 230 CB ASP A 15 -16.306 5.249 2.148 1.00 0.00 C ATOM 231 CG ASP A 15 -15.710 6.190 3.162 1.00 0.00 C ATOM 232 OD1 ASP A 15 -16.376 7.183 3.537 1.00 0.00 O ATOM 233 OD2 ASP A 15 -14.594 5.932 3.646 1.00 0.00 O ATOM 0 H ASP A 15 -17.142 3.942 0.308 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.427 6.663 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.383 5.191 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.905 4.249 2.312 1.00 0.00 H new ATOM 238 N GLY A 16 -14.025 4.526 0.087 1.00 0.00 N ATOM 239 CA GLY A 16 -12.620 4.371 -0.154 1.00 0.00 C ATOM 240 C GLY A 16 -12.012 3.460 0.864 1.00 0.00 C ATOM 241 O GLY A 16 -12.732 2.678 1.505 1.00 0.00 O ATOM 0 H GLY A 16 -14.573 3.678 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.459 3.968 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.129 5.344 -0.119 1.00 0.00 H new ATOM 245 N LEU A 17 -10.719 3.548 1.049 1.00 0.00 N ATOM 246 CA LEU A 17 -10.035 2.672 1.973 1.00 0.00 C ATOM 247 C LEU A 17 -10.148 3.227 3.351 1.00 0.00 C ATOM 248 O LEU A 17 -10.491 2.511 4.289 1.00 0.00 O ATOM 249 CB LEU A 17 -8.545 2.564 1.674 1.00 0.00 C ATOM 250 CG LEU A 17 -8.127 2.388 0.245 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.630 2.233 0.172 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.837 1.233 -0.432 1.00 0.00 C ATOM 0 H LEU A 17 -10.116 4.218 0.572 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.499 1.690 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.061 3.463 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.150 1.723 2.244 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.422 3.283 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.328 2.105 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.152 3.122 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.326 1.359 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.497 1.151 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.613 0.307 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.913 1.408 -0.418 1.00 0.00 H new ATOM 264 N GLY A 18 -9.845 4.504 3.459 1.00 0.00 N ATOM 265 CA GLY A 18 -9.803 5.162 4.729 1.00 0.00 C ATOM 266 C GLY A 18 -8.633 4.666 5.549 1.00 0.00 C ATOM 267 O GLY A 18 -8.720 4.565 6.781 1.00 0.00 O ATOM 0 H GLY A 18 -9.623 5.105 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.721 6.239 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.733 4.983 5.268 1.00 0.00 H new ATOM 271 N ILE A 19 -7.539 4.300 4.870 1.00 0.00 N ATOM 272 CA ILE A 19 -6.374 3.788 5.582 1.00 0.00 C ATOM 273 C ILE A 19 -5.316 4.874 5.774 1.00 0.00 C ATOM 274 O ILE A 19 -5.527 6.038 5.403 1.00 0.00 O ATOM 275 CB ILE A 19 -5.745 2.529 4.918 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.062 2.869 3.596 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.817 1.472 4.702 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.309 1.701 2.986 1.00 0.00 C ATOM 0 H ILE A 19 -7.441 4.348 3.856 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.742 3.475 6.559 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.980 2.140 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.813 3.217 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.368 3.694 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.372 0.592 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.252 1.194 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.596 1.871 4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.849 2.014 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.535 1.367 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.002 0.882 2.794 1.00 0.00 H new ATOM 290 N SER A 20 -4.205 4.505 6.366 1.00 0.00 N ATOM 291 CA SER A 20 -3.129 5.427 6.656 1.00 0.00 C ATOM 292 C SER A 20 -1.779 4.773 6.342 1.00 0.00 C ATOM 293 O SER A 20 -1.632 3.553 6.469 1.00 0.00 O ATOM 294 CB SER A 20 -3.226 5.812 8.133 1.00 0.00 C ATOM 295 OG SER A 20 -4.511 6.346 8.412 1.00 0.00 O ATOM 0 H SER A 20 -4.019 3.547 6.663 1.00 0.00 H new ATOM 0 HA SER A 20 -3.210 6.322 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.043 4.938 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.457 6.545 8.377 1.00 0.00 H new ATOM 0 HG SER A 20 -4.566 6.589 9.360 1.00 0.00 H new ATOM 301 N ILE A 21 -0.815 5.575 5.947 1.00 0.00 N ATOM 302 CA ILE A 21 0.510 5.105 5.560 1.00 0.00 C ATOM 303 C ILE A 21 1.556 5.710 6.477 1.00 0.00 C ATOM 304 O ILE A 21 1.290 6.702 7.154 1.00 0.00 O ATOM 305 CB ILE A 21 0.833 5.502 4.079 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.896 7.040 3.891 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.173 4.887 3.120 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.295 7.642 3.967 1.00 0.00 C ATOM 0 H ILE A 21 -0.924 6.587 5.882 1.00 0.00 H new ATOM 0 HA ILE A 21 0.524 4.018 5.644 1.00 0.00 H new ATOM 0 HB ILE A 21 1.821 5.103 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.461 7.291 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.273 7.510 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.073 5.178 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.141 3.801 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.174 5.241 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.235 8.721 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.730 7.429 4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.921 7.207 3.188 1.00 0.00 H new ATOM 320 N ILE A 22 2.714 5.125 6.515 1.00 0.00 N ATOM 321 CA ILE A 22 3.805 5.678 7.263 1.00 0.00 C ATOM 322 C ILE A 22 5.033 5.763 6.372 1.00 0.00 C ATOM 323 O ILE A 22 5.385 4.797 5.692 1.00 0.00 O ATOM 324 CB ILE A 22 4.071 4.914 8.596 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.180 5.583 9.418 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.369 3.446 8.359 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.406 4.947 10.774 1.00 0.00 C ATOM 0 H ILE A 22 2.931 4.254 6.031 1.00 0.00 H new ATOM 0 HA ILE A 22 3.537 6.687 7.575 1.00 0.00 H new ATOM 0 HB ILE A 22 3.152 4.965 9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.110 5.548 8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.931 6.635 9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.548 2.952 9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.519 2.978 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.254 3.351 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.205 5.475 11.295 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.489 5.006 11.361 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.687 3.902 10.643 1.00 0.00 H new ATOM 339 N GLY A 23 5.640 6.926 6.327 1.00 0.00 N ATOM 340 CA GLY A 23 6.748 7.133 5.444 1.00 0.00 C ATOM 341 C GLY A 23 8.062 6.889 6.101 1.00 0.00 C ATOM 342 O GLY A 23 8.603 7.767 6.774 1.00 0.00 O ATOM 0 H GLY A 23 5.382 7.736 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.649 6.472 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.720 8.155 5.066 1.00 0.00 H new ATOM 346 N MET A 24 8.577 5.722 5.925 1.00 0.00 N ATOM 347 CA MET A 24 9.856 5.373 6.491 1.00 0.00 C ATOM 348 C MET A 24 10.881 5.390 5.394 1.00 0.00 C ATOM 349 O MET A 24 10.530 5.416 4.217 1.00 0.00 O ATOM 350 CB MET A 24 9.818 3.983 7.153 1.00 0.00 C ATOM 351 CG MET A 24 8.835 3.865 8.308 1.00 0.00 C ATOM 352 SD MET A 24 9.196 5.023 9.653 1.00 0.00 S ATOM 353 CE MET A 24 10.878 4.556 10.097 1.00 0.00 C ATOM 0 H MET A 24 8.134 4.977 5.388 1.00 0.00 H new ATOM 0 HA MET A 24 10.112 6.097 7.265 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.563 3.241 6.397 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.817 3.739 7.515 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.825 4.045 7.940 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.856 2.846 8.695 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.114 4.943 11.088 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.965 3.469 10.102 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.575 4.972 9.370 1.00 0.00 H new ATOM 363 N GLY A 25 12.114 5.406 5.752 1.00 0.00 N ATOM 364 CA GLY A 25 13.139 5.366 4.769 1.00 0.00 C ATOM 365 C GLY A 25 14.027 4.191 4.984 1.00 0.00 C ATOM 366 O GLY A 25 15.146 4.330 5.483 1.00 0.00 O ATOM 0 H GLY A 25 12.440 5.446 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.695 5.316 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.725 6.284 4.810 1.00 0.00 H new ATOM 370 N VAL A 26 13.523 3.033 4.656 1.00 0.00 N ATOM 371 CA VAL A 26 14.262 1.814 4.780 1.00 0.00 C ATOM 372 C VAL A 26 14.785 1.407 3.399 1.00 0.00 C ATOM 373 O VAL A 26 14.085 0.799 2.574 1.00 0.00 O ATOM 374 CB VAL A 26 13.417 0.687 5.484 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.097 0.432 4.781 1.00 0.00 C ATOM 376 CG2 VAL A 26 14.213 -0.603 5.639 1.00 0.00 C ATOM 0 H VAL A 26 12.578 2.912 4.292 1.00 0.00 H new ATOM 0 HA VAL A 26 15.121 1.970 5.433 1.00 0.00 H new ATOM 0 HB VAL A 26 13.184 1.056 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.552 -0.353 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.504 1.346 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.286 0.119 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.595 -1.355 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.514 -0.965 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.100 -0.413 6.243 1.00 0.00 H new ATOM 386 N GLY A 27 15.992 1.792 3.128 1.00 0.00 N ATOM 387 CA GLY A 27 16.523 1.581 1.824 1.00 0.00 C ATOM 388 C GLY A 27 17.994 1.346 1.833 1.00 0.00 C ATOM 389 O GLY A 27 18.436 0.205 1.686 1.00 0.00 O ATOM 0 H GLY A 27 16.622 2.250 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.025 0.725 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.302 2.448 1.201 1.00 0.00 H new ATOM 393 N ALA A 28 18.761 2.407 2.023 1.00 0.00 N ATOM 394 CA ALA A 28 20.229 2.330 2.040 1.00 0.00 C ATOM 395 C ALA A 28 20.686 1.507 3.226 1.00 0.00 C ATOM 396 O ALA A 28 21.640 0.750 3.154 1.00 0.00 O ATOM 397 CB ALA A 28 20.824 3.729 2.104 1.00 0.00 C ATOM 0 H ALA A 28 18.394 3.347 2.170 1.00 0.00 H new ATOM 0 HA ALA A 28 20.573 1.848 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 28 21.912 3.662 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.506 4.300 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 28 20.481 4.229 3.010 1.00 0.00 H new ATOM 403 N ASP A 29 19.931 1.627 4.284 1.00 0.00 N ATOM 404 CA ASP A 29 20.145 0.915 5.536 1.00 0.00 C ATOM 405 C ASP A 29 19.809 -0.563 5.401 1.00 0.00 C ATOM 406 O ASP A 29 20.238 -1.383 6.206 1.00 0.00 O ATOM 407 CB ASP A 29 19.299 1.557 6.638 1.00 0.00 C ATOM 408 CG ASP A 29 17.853 1.751 6.229 1.00 0.00 C ATOM 409 OD1 ASP A 29 17.587 2.620 5.340 1.00 0.00 O ATOM 410 OD2 ASP A 29 16.970 1.073 6.761 1.00 0.00 O ATOM 0 H ASP A 29 19.118 2.243 4.309 1.00 0.00 H new ATOM 0 HA ASP A 29 21.201 0.987 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.339 0.933 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 29 19.729 2.522 6.904 1.00 0.00 H new ATOM 415 N ALA A 30 19.044 -0.896 4.390 1.00 0.00 N ATOM 416 CA ALA A 30 18.699 -2.275 4.126 1.00 0.00 C ATOM 417 C ALA A 30 19.655 -2.841 3.083 1.00 0.00 C ATOM 418 O ALA A 30 20.004 -4.015 3.102 1.00 0.00 O ATOM 419 CB ALA A 30 17.260 -2.378 3.641 1.00 0.00 C ATOM 0 H ALA A 30 18.645 -0.227 3.731 1.00 0.00 H new ATOM 0 HA ALA A 30 18.788 -2.852 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 30 17.015 -3.422 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.590 -1.984 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 30 17.143 -1.801 2.724 1.00 0.00 H new ATOM 425 N GLY A 31 20.065 -1.986 2.168 1.00 0.00 N ATOM 426 CA GLY A 31 20.986 -2.376 1.128 1.00 0.00 C ATOM 427 C GLY A 31 20.296 -2.512 -0.209 1.00 0.00 C ATOM 428 O GLY A 31 20.877 -2.221 -1.246 1.00 0.00 O ATOM 0 H GLY A 31 19.770 -1.010 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 31 21.783 -1.637 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.454 -3.324 1.394 1.00 0.00 H new ATOM 432 N LEU A 32 19.039 -2.916 -0.167 1.00 0.00 N ATOM 433 CA LEU A 32 18.248 -3.152 -1.373 1.00 0.00 C ATOM 434 C LEU A 32 17.744 -1.845 -1.957 1.00 0.00 C ATOM 435 O LEU A 32 17.695 -1.674 -3.181 1.00 0.00 O ATOM 436 CB LEU A 32 17.027 -4.070 -1.091 1.00 0.00 C ATOM 437 CG LEU A 32 17.280 -5.537 -0.666 1.00 0.00 C ATOM 438 CD1 LEU A 32 17.899 -5.643 0.721 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.988 -6.328 -0.727 1.00 0.00 C ATOM 0 H LEU A 32 18.533 -3.091 0.701 1.00 0.00 H new ATOM 0 HA LEU A 32 18.909 -3.646 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.432 -3.598 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 32 16.413 -4.088 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 32 17.999 -5.957 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 32 18.056 -6.692 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 32 18.855 -5.120 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.230 -5.192 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.178 -7.358 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.256 -5.882 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.600 -6.313 -1.745 1.00 0.00 H new ATOM 451 N GLU A 33 17.400 -0.922 -1.062 1.00 0.00 N ATOM 452 CA GLU A 33 16.804 0.371 -1.395 1.00 0.00 C ATOM 453 C GLU A 33 15.442 0.256 -2.035 1.00 0.00 C ATOM 454 O GLU A 33 15.319 0.018 -3.242 1.00 0.00 O ATOM 455 CB GLU A 33 17.696 1.258 -2.247 1.00 0.00 C ATOM 456 CG GLU A 33 18.954 1.718 -1.571 1.00 0.00 C ATOM 457 CD GLU A 33 19.694 2.678 -2.432 1.00 0.00 C ATOM 458 OE1 GLU A 33 19.428 3.896 -2.348 1.00 0.00 O ATOM 459 OE2 GLU A 33 20.537 2.238 -3.227 1.00 0.00 O ATOM 0 H GLU A 33 17.531 -1.055 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 33 16.686 0.854 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.965 0.716 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.125 2.134 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.709 2.190 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.587 0.859 -1.348 1.00 0.00 H new ATOM 466 N LYS A 34 14.427 0.398 -1.243 1.00 0.00 N ATOM 467 CA LYS A 34 13.098 0.463 -1.756 1.00 0.00 C ATOM 468 C LYS A 34 12.340 1.461 -0.917 1.00 0.00 C ATOM 469 O LYS A 34 12.937 2.098 -0.041 1.00 0.00 O ATOM 470 CB LYS A 34 12.385 -0.927 -1.832 1.00 0.00 C ATOM 471 CG LYS A 34 11.807 -1.444 -0.535 1.00 0.00 C ATOM 472 CD LYS A 34 12.849 -1.757 0.496 1.00 0.00 C ATOM 473 CE LYS A 34 12.205 -1.836 1.844 1.00 0.00 C ATOM 474 NZ LYS A 34 11.128 -2.855 1.908 1.00 0.00 N ATOM 0 H LYS A 34 14.496 0.472 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 34 13.130 0.790 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.581 -0.862 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.099 -1.660 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.118 -0.702 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.225 -2.343 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.339 -2.701 0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.621 -0.988 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.964 -2.069 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.792 -0.861 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.044 -3.210 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.226 -2.426 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.358 -3.644 1.270 1.00 0.00 H new ATOM 488 N LEU A 35 11.094 1.657 -1.220 1.00 0.00 N ATOM 489 CA LEU A 35 10.235 2.518 -0.456 1.00 0.00 C ATOM 490 C LEU A 35 10.168 2.072 1.002 1.00 0.00 C ATOM 491 O LEU A 35 10.322 0.882 1.330 1.00 0.00 O ATOM 492 CB LEU A 35 8.810 2.498 -1.005 1.00 0.00 C ATOM 493 CG LEU A 35 8.062 1.157 -0.891 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.585 1.395 -0.860 1.00 0.00 C ATOM 495 CD2 LEU A 35 8.402 0.209 -2.035 1.00 0.00 C ATOM 0 H LEU A 35 10.635 1.218 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 35 10.655 3.521 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.230 3.260 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.843 2.785 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 35 8.383 0.686 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.064 0.441 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.335 2.019 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.278 1.899 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.851 -0.723 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.127 0.670 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.472 0.001 -2.029 1.00 0.00 H new ATOM 507 N GLY A 36 9.939 3.002 1.853 1.00 0.00 N ATOM 508 CA GLY A 36 9.748 2.702 3.219 1.00 0.00 C ATOM 509 C GLY A 36 8.347 3.029 3.630 1.00 0.00 C ATOM 510 O GLY A 36 8.065 3.222 4.795 1.00 0.00 O ATOM 0 H GLY A 36 9.879 3.993 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.950 1.646 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.454 3.269 3.825 1.00 0.00 H new ATOM 514 N ILE A 37 7.465 3.124 2.673 1.00 0.00 N ATOM 515 CA ILE A 37 6.091 3.390 2.988 1.00 0.00 C ATOM 516 C ILE A 37 5.469 2.117 3.475 1.00 0.00 C ATOM 517 O ILE A 37 5.427 1.127 2.764 1.00 0.00 O ATOM 518 CB ILE A 37 5.268 3.905 1.788 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.945 5.115 1.121 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.849 4.260 2.253 1.00 0.00 C ATOM 521 CD1 ILE A 37 6.022 6.355 1.972 1.00 0.00 C ATOM 0 H ILE A 37 7.671 3.022 1.679 1.00 0.00 H new ATOM 0 HA ILE A 37 6.080 4.177 3.742 1.00 0.00 H new ATOM 0 HB ILE A 37 5.212 3.114 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.956 4.830 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.404 5.355 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.269 4.624 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.369 3.373 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.900 5.036 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.515 7.150 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.015 6.673 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.591 6.141 2.877 1.00 0.00 H new ATOM 533 N PHE A 38 5.060 2.125 4.676 1.00 0.00 N ATOM 534 CA PHE A 38 4.402 1.001 5.245 1.00 0.00 C ATOM 535 C PHE A 38 3.000 1.394 5.558 1.00 0.00 C ATOM 536 O PHE A 38 2.669 2.589 5.530 1.00 0.00 O ATOM 537 CB PHE A 38 5.120 0.534 6.504 1.00 0.00 C ATOM 538 CG PHE A 38 6.479 -0.058 6.263 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.605 -1.377 5.866 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.626 0.691 6.446 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.846 -1.936 5.653 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.867 0.141 6.241 1.00 0.00 C ATOM 543 CZ PHE A 38 8.980 -1.177 5.843 1.00 0.00 C ATOM 0 H PHE A 38 5.168 2.917 5.310 1.00 0.00 H new ATOM 0 HA PHE A 38 4.410 0.171 4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.222 1.380 7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.499 -0.207 7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.719 -1.977 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.545 1.723 6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.930 -2.966 5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.754 0.738 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.955 -1.612 5.681 1.00 0.00 H new ATOM 553 N VAL A 39 2.170 0.441 5.818 1.00 0.00 N ATOM 554 CA VAL A 39 0.833 0.738 6.200 1.00 0.00 C ATOM 555 C VAL A 39 0.862 1.157 7.665 1.00 0.00 C ATOM 556 O VAL A 39 1.545 0.538 8.487 1.00 0.00 O ATOM 557 CB VAL A 39 -0.107 -0.473 5.987 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.556 -0.093 6.266 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.039 -1.011 4.571 1.00 0.00 C ATOM 0 H VAL A 39 2.396 -0.553 5.773 1.00 0.00 H new ATOM 0 HA VAL A 39 0.438 1.541 5.578 1.00 0.00 H new ATOM 0 HB VAL A 39 0.179 -1.255 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.196 -0.961 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.651 0.247 7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.859 0.708 5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.628 -1.863 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.220 -0.230 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.069 -1.327 4.406 1.00 0.00 H new ATOM 569 N LYS A 40 0.214 2.235 7.976 1.00 0.00 N ATOM 570 CA LYS A 40 0.205 2.726 9.326 1.00 0.00 C ATOM 571 C LYS A 40 -1.028 2.246 10.041 1.00 0.00 C ATOM 572 O LYS A 40 -0.978 1.836 11.193 1.00 0.00 O ATOM 573 CB LYS A 40 0.278 4.266 9.356 1.00 0.00 C ATOM 574 CG LYS A 40 0.170 4.948 10.745 1.00 0.00 C ATOM 575 CD LYS A 40 1.398 4.784 11.676 1.00 0.00 C ATOM 576 CE LYS A 40 1.638 3.350 12.121 1.00 0.00 C ATOM 577 NZ LYS A 40 2.534 3.262 13.284 1.00 0.00 N ATOM 0 H LYS A 40 -0.319 2.797 7.313 1.00 0.00 H new ATOM 0 HA LYS A 40 1.086 2.338 9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.221 4.570 8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.520 4.656 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.007 6.013 10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.706 4.549 11.257 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.286 5.149 11.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.262 5.411 12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.683 2.885 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.065 2.783 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.665 2.264 13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.455 3.681 13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.116 3.779 14.084 1.00 0.00 H new ATOM 591 N THR A 41 -2.131 2.324 9.376 1.00 0.00 N ATOM 592 CA THR A 41 -3.381 1.931 9.945 1.00 0.00 C ATOM 593 C THR A 41 -4.290 1.575 8.801 1.00 0.00 C ATOM 594 O THR A 41 -4.048 1.989 7.653 1.00 0.00 O ATOM 595 CB THR A 41 -4.044 3.099 10.700 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.046 3.905 11.364 1.00 0.00 O ATOM 597 CG2 THR A 41 -5.012 2.597 11.758 1.00 0.00 C ATOM 0 H THR A 41 -2.194 2.664 8.416 1.00 0.00 H new ATOM 0 HA THR A 41 -3.216 1.106 10.638 1.00 0.00 H new ATOM 0 HB THR A 41 -4.583 3.689 9.959 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.484 4.643 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.462 3.446 12.272 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.794 2.004 11.284 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.475 1.980 12.479 1.00 0.00 H new ATOM 605 N VAL A 42 -5.292 0.841 9.092 1.00 0.00 N ATOM 606 CA VAL A 42 -6.287 0.479 8.158 1.00 0.00 C ATOM 607 C VAL A 42 -7.599 0.821 8.825 1.00 0.00 C ATOM 608 O VAL A 42 -7.667 0.800 10.058 1.00 0.00 O ATOM 609 CB VAL A 42 -6.249 -1.052 7.824 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.325 -1.410 6.826 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.894 -1.466 7.277 1.00 0.00 C ATOM 0 H VAL A 42 -5.450 0.459 10.025 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.139 1.003 7.214 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.428 -1.590 8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.280 -2.477 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.303 -1.165 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.170 -0.846 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.902 -2.533 7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.684 -0.908 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.123 -1.254 8.017 1.00 0.00 H new ATOM 621 N THR A 43 -8.605 1.189 8.049 1.00 0.00 N ATOM 622 CA THR A 43 -9.920 1.467 8.581 1.00 0.00 C ATOM 623 C THR A 43 -10.385 0.238 9.396 1.00 0.00 C ATOM 624 O THR A 43 -10.148 -0.923 8.987 1.00 0.00 O ATOM 625 CB THR A 43 -10.914 1.765 7.429 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.159 2.213 7.942 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.147 0.520 6.611 1.00 0.00 C ATOM 0 H THR A 43 -8.530 1.302 7.038 1.00 0.00 H new ATOM 0 HA THR A 43 -9.885 2.345 9.226 1.00 0.00 H new ATOM 0 HB THR A 43 -10.480 2.546 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.772 2.397 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.847 0.740 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.201 0.180 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.562 -0.261 7.248 1.00 0.00 H new ATOM 635 N GLU A 44 -11.015 0.480 10.506 1.00 0.00 N ATOM 636 CA GLU A 44 -11.345 -0.550 11.440 1.00 0.00 C ATOM 637 C GLU A 44 -12.415 -1.495 10.891 1.00 0.00 C ATOM 638 O GLU A 44 -12.376 -2.713 11.144 1.00 0.00 O ATOM 639 CB GLU A 44 -11.789 0.070 12.753 1.00 0.00 C ATOM 640 CG GLU A 44 -13.118 0.765 12.672 1.00 0.00 C ATOM 641 CD GLU A 44 -13.568 1.343 13.981 1.00 0.00 C ATOM 642 OE1 GLU A 44 -13.733 0.574 14.962 1.00 0.00 O ATOM 643 OE2 GLU A 44 -13.742 2.570 14.069 1.00 0.00 O ATOM 0 H GLU A 44 -11.318 1.412 10.791 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.452 -1.150 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.842 -0.709 13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.034 0.785 13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.058 1.563 11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.868 0.058 12.318 1.00 0.00 H new ATOM 650 N GLY A 45 -13.344 -0.953 10.131 1.00 0.00 N ATOM 651 CA GLY A 45 -14.386 -1.751 9.619 1.00 0.00 C ATOM 652 C GLY A 45 -14.932 -1.250 8.361 1.00 0.00 C ATOM 653 O GLY A 45 -15.995 -0.641 8.305 1.00 0.00 O ATOM 0 H GLY A 45 -13.381 0.032 9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.017 -2.766 9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.186 -1.809 10.357 1.00 0.00 H new ATOM 657 N GLY A 46 -14.198 -1.514 7.362 1.00 0.00 N ATOM 658 CA GLY A 46 -14.543 -1.263 6.064 1.00 0.00 C ATOM 659 C GLY A 46 -14.105 -2.472 5.355 1.00 0.00 C ATOM 660 O GLY A 46 -13.396 -3.303 5.965 1.00 0.00 O ATOM 0 H GLY A 46 -13.277 -1.942 7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.616 -1.101 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.047 -0.371 5.682 1.00 0.00 H new ATOM 664 N ALA A 47 -14.406 -2.570 4.122 1.00 0.00 N ATOM 665 CA ALA A 47 -14.120 -3.775 3.337 1.00 0.00 C ATOM 666 C ALA A 47 -12.605 -4.140 3.216 1.00 0.00 C ATOM 667 O ALA A 47 -12.267 -5.159 2.668 1.00 0.00 O ATOM 668 CB ALA A 47 -14.781 -3.699 1.986 1.00 0.00 C ATOM 0 H ALA A 47 -14.863 -1.828 3.592 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.553 -4.599 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.556 -4.603 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.860 -3.609 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.406 -2.830 1.446 1.00 0.00 H new ATOM 674 N ALA A 48 -11.723 -3.331 3.801 1.00 0.00 N ATOM 675 CA ALA A 48 -10.288 -3.579 3.757 1.00 0.00 C ATOM 676 C ALA A 48 -9.941 -4.662 4.758 1.00 0.00 C ATOM 677 O ALA A 48 -9.400 -5.699 4.399 1.00 0.00 O ATOM 678 CB ALA A 48 -9.513 -2.304 4.046 1.00 0.00 C ATOM 0 H ALA A 48 -11.984 -2.490 4.316 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.009 -3.913 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.444 -2.512 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.763 -1.549 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.776 -1.935 5.037 1.00 0.00 H new ATOM 684 N GLN A 49 -10.282 -4.433 6.028 1.00 0.00 N ATOM 685 CA GLN A 49 -10.062 -5.463 7.032 1.00 0.00 C ATOM 686 C GLN A 49 -11.084 -6.591 6.930 1.00 0.00 C ATOM 687 O GLN A 49 -10.923 -7.645 7.540 1.00 0.00 O ATOM 688 CB GLN A 49 -9.958 -4.892 8.442 1.00 0.00 C ATOM 689 CG GLN A 49 -8.678 -4.120 8.643 1.00 0.00 C ATOM 690 CD GLN A 49 -8.409 -3.798 10.085 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.768 -4.566 10.798 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.863 -2.681 10.520 1.00 0.00 N ATOM 0 H GLN A 49 -10.699 -3.569 6.374 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.090 -5.906 6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.810 -4.239 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.010 -5.704 9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.845 -4.698 8.244 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.725 -3.193 8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.391 -2.069 9.899 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.696 -2.405 11.488 1.00 0.00 H new ATOM 701 N ARG A 50 -12.138 -6.361 6.160 1.00 0.00 N ATOM 702 CA ARG A 50 -13.090 -7.413 5.861 1.00 0.00 C ATOM 703 C ARG A 50 -12.466 -8.376 4.884 1.00 0.00 C ATOM 704 O ARG A 50 -12.613 -9.589 5.023 1.00 0.00 O ATOM 705 CB ARG A 50 -14.373 -6.859 5.284 1.00 0.00 C ATOM 706 CG ARG A 50 -15.219 -6.096 6.281 1.00 0.00 C ATOM 707 CD ARG A 50 -15.782 -7.029 7.335 1.00 0.00 C ATOM 708 NE ARG A 50 -16.588 -8.098 6.735 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.574 -9.388 7.108 1.00 0.00 C ATOM 710 NH1 ARG A 50 -15.776 -9.799 8.102 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.362 -10.261 6.489 1.00 0.00 N ATOM 0 H ARG A 50 -12.352 -5.459 5.734 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.341 -7.924 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.129 -6.200 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.962 -7.682 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.618 -5.322 6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.034 -5.592 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.965 -7.467 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.394 -6.461 8.035 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.211 -7.840 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.173 -9.130 8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.771 -10.781 8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.974 -9.950 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.355 -11.242 6.769 1.00 0.00 H new ATOM 725 N ASP A 51 -11.750 -7.819 3.905 1.00 0.00 N ATOM 726 CA ASP A 51 -11.028 -8.625 2.919 1.00 0.00 C ATOM 727 C ASP A 51 -9.967 -9.461 3.621 1.00 0.00 C ATOM 728 O ASP A 51 -9.949 -10.689 3.516 1.00 0.00 O ATOM 729 CB ASP A 51 -10.372 -7.737 1.869 1.00 0.00 C ATOM 730 CG ASP A 51 -9.667 -8.537 0.810 1.00 0.00 C ATOM 731 OD1 ASP A 51 -10.316 -8.902 -0.199 1.00 0.00 O ATOM 732 OD2 ASP A 51 -8.455 -8.808 0.962 1.00 0.00 O ATOM 0 H ASP A 51 -11.655 -6.812 3.774 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.740 -9.281 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.130 -7.108 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.659 -7.070 2.354 1.00 0.00 H new ATOM 737 N GLY A 52 -9.079 -8.787 4.322 1.00 0.00 N ATOM 738 CA GLY A 52 -8.115 -9.471 5.153 1.00 0.00 C ATOM 739 C GLY A 52 -6.870 -9.976 4.435 1.00 0.00 C ATOM 740 O GLY A 52 -5.955 -10.488 5.092 1.00 0.00 O ATOM 0 H GLY A 52 -9.006 -7.770 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.804 -8.795 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.608 -10.319 5.628 1.00 0.00 H new ATOM 744 N ARG A 53 -6.809 -9.863 3.112 1.00 0.00 N ATOM 745 CA ARG A 53 -5.612 -10.305 2.393 1.00 0.00 C ATOM 746 C ARG A 53 -4.558 -9.205 2.571 1.00 0.00 C ATOM 747 O ARG A 53 -3.343 -9.455 2.627 1.00 0.00 O ATOM 748 CB ARG A 53 -5.949 -10.530 0.904 1.00 0.00 C ATOM 749 CG ARG A 53 -5.068 -11.526 0.138 1.00 0.00 C ATOM 750 CD ARG A 53 -3.614 -11.120 0.051 1.00 0.00 C ATOM 751 NE ARG A 53 -2.829 -12.098 -0.708 1.00 0.00 N ATOM 752 CZ ARG A 53 -1.565 -12.465 -0.429 1.00 0.00 C ATOM 753 NH1 ARG A 53 -0.931 -11.948 0.617 1.00 0.00 N ATOM 754 NH2 ARG A 53 -0.957 -13.367 -1.184 1.00 0.00 N ATOM 0 H ARG A 53 -7.551 -9.480 2.526 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.234 -11.251 2.781 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.983 -10.870 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.896 -9.568 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.134 -12.501 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.463 -11.643 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.536 -10.142 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.202 -11.021 1.055 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.277 -12.536 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.402 -11.269 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.027 -12.230 0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.447 -13.783 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.001 -13.646 -0.973 1.00 0.00 H new ATOM 768 N ILE A 54 -5.046 -7.997 2.685 1.00 0.00 N ATOM 769 CA ILE A 54 -4.217 -6.856 2.949 1.00 0.00 C ATOM 770 C ILE A 54 -4.114 -6.719 4.467 1.00 0.00 C ATOM 771 O ILE A 54 -5.018 -7.175 5.198 1.00 0.00 O ATOM 772 CB ILE A 54 -4.833 -5.564 2.332 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.814 -4.419 2.357 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.109 -5.157 3.097 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.239 -3.212 1.563 1.00 0.00 C ATOM 0 H ILE A 54 -6.038 -7.779 2.596 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.233 -6.990 2.499 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.099 -5.772 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.642 -4.120 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.863 -4.782 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.526 -4.253 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.841 -5.962 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.862 -4.968 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.468 -2.444 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.383 -3.495 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.174 -2.822 1.966 1.00 0.00 H new ATOM 787 N GLN A 55 -3.052 -6.156 4.952 1.00 0.00 N ATOM 788 CA GLN A 55 -2.889 -6.012 6.355 1.00 0.00 C ATOM 789 C GLN A 55 -2.445 -4.612 6.708 1.00 0.00 C ATOM 790 O GLN A 55 -2.329 -3.750 5.860 1.00 0.00 O ATOM 791 CB GLN A 55 -1.915 -7.048 6.923 1.00 0.00 C ATOM 792 CG GLN A 55 -2.355 -8.486 6.718 1.00 0.00 C ATOM 793 CD GLN A 55 -1.411 -9.476 7.334 1.00 0.00 C ATOM 794 OE1 GLN A 55 -0.214 -9.219 7.458 1.00 0.00 O ATOM 795 NE2 GLN A 55 -1.926 -10.611 7.706 1.00 0.00 N ATOM 0 H GLN A 55 -2.284 -5.789 4.390 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.862 -6.190 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.939 -6.908 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.789 -6.866 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.348 -8.622 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.439 -8.687 5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.924 -10.782 7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.332 -11.330 8.119 1.00 0.00 H new ATOM 804 N VAL A 56 -2.220 -4.394 7.972 1.00 0.00 N ATOM 805 CA VAL A 56 -1.772 -3.109 8.447 1.00 0.00 C ATOM 806 C VAL A 56 -0.256 -3.132 8.630 1.00 0.00 C ATOM 807 O VAL A 56 0.373 -2.126 8.915 1.00 0.00 O ATOM 808 CB VAL A 56 -2.474 -2.750 9.796 1.00 0.00 C ATOM 809 CG1 VAL A 56 -2.100 -3.730 10.906 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.192 -1.311 10.213 1.00 0.00 C ATOM 0 H VAL A 56 -2.340 -5.096 8.702 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.034 -2.348 7.712 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.547 -2.838 9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.608 -3.447 11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.403 -4.737 10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.022 -3.707 11.064 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.697 -1.100 11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.118 -1.172 10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.559 -0.631 9.444 1.00 0.00 H new ATOM 820 N ASN A 57 0.336 -4.278 8.440 1.00 0.00 N ATOM 821 CA ASN A 57 1.742 -4.398 8.719 1.00 0.00 C ATOM 822 C ASN A 57 2.508 -4.733 7.450 1.00 0.00 C ATOM 823 O ASN A 57 3.667 -5.171 7.490 1.00 0.00 O ATOM 824 CB ASN A 57 1.978 -5.446 9.814 1.00 0.00 C ATOM 825 CG ASN A 57 3.341 -5.309 10.486 1.00 0.00 C ATOM 826 OD1 ASN A 57 3.951 -6.300 10.896 1.00 0.00 O ATOM 827 ND2 ASN A 57 3.785 -4.094 10.682 1.00 0.00 N ATOM 0 H ASN A 57 -0.119 -5.126 8.101 1.00 0.00 H new ATOM 0 HA ASN A 57 2.115 -3.442 9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.196 -5.357 10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.891 -6.442 9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.659 -3.946 11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.257 -3.295 10.330 1.00 0.00 H new ATOM 834 N ASP A 58 1.881 -4.519 6.327 1.00 0.00 N ATOM 835 CA ASP A 58 2.526 -4.756 5.071 1.00 0.00 C ATOM 836 C ASP A 58 3.014 -3.437 4.472 1.00 0.00 C ATOM 837 O ASP A 58 3.048 -2.393 5.165 1.00 0.00 O ATOM 838 CB ASP A 58 1.638 -5.563 4.089 1.00 0.00 C ATOM 839 CG ASP A 58 0.350 -4.914 3.680 1.00 0.00 C ATOM 840 OD1 ASP A 58 0.378 -3.844 3.108 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.704 -5.535 3.922 1.00 0.00 O ATOM 0 H ASP A 58 0.921 -4.180 6.258 1.00 0.00 H new ATOM 0 HA ASP A 58 3.397 -5.385 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.219 -5.768 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.407 -6.525 4.546 1.00 0.00 H new ATOM 846 N GLN A 59 3.406 -3.480 3.232 1.00 0.00 N ATOM 847 CA GLN A 59 3.960 -2.349 2.557 1.00 0.00 C ATOM 848 C GLN A 59 3.293 -2.159 1.214 1.00 0.00 C ATOM 849 O GLN A 59 3.370 -3.037 0.348 1.00 0.00 O ATOM 850 CB GLN A 59 5.479 -2.533 2.403 1.00 0.00 C ATOM 851 CG GLN A 59 6.147 -1.551 1.450 1.00 0.00 C ATOM 852 CD GLN A 59 7.620 -1.352 1.727 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.490 -2.070 1.222 1.00 0.00 O ATOM 854 NE2 GLN A 59 7.914 -0.353 2.504 1.00 0.00 N ATOM 0 H GLN A 59 3.347 -4.318 2.654 1.00 0.00 H new ATOM 0 HA GLN A 59 3.778 -1.451 3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.944 -2.439 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.675 -3.547 2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.022 -1.907 0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.639 -0.589 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.170 0.219 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.889 -0.140 2.714 1.00 0.00 H new ATOM 863 N ILE A 60 2.631 -1.026 1.048 1.00 0.00 N ATOM 864 CA ILE A 60 1.983 -0.697 -0.204 1.00 0.00 C ATOM 865 C ILE A 60 3.057 -0.444 -1.246 1.00 0.00 C ATOM 866 O ILE A 60 3.715 0.570 -1.203 1.00 0.00 O ATOM 867 CB ILE A 60 1.139 0.597 -0.121 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.113 0.570 1.023 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.440 0.815 -1.444 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.874 -0.579 0.978 1.00 0.00 C ATOM 0 H ILE A 60 2.530 -0.316 1.773 1.00 0.00 H new ATOM 0 HA ILE A 60 1.327 -1.531 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 60 1.818 1.422 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.650 0.529 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.444 1.507 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.157 1.725 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.182 0.911 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.210 -0.034 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.554 -0.508 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.445 -0.532 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.334 -1.525 1.024 1.00 0.00 H new ATOM 882 N VAL A 61 3.230 -1.351 -2.158 1.00 0.00 N ATOM 883 CA VAL A 61 4.267 -1.210 -3.162 1.00 0.00 C ATOM 884 C VAL A 61 3.737 -0.420 -4.370 1.00 0.00 C ATOM 885 O VAL A 61 4.327 0.574 -4.802 1.00 0.00 O ATOM 886 CB VAL A 61 4.793 -2.613 -3.575 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.798 -2.559 -4.702 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.379 -3.335 -2.373 1.00 0.00 C ATOM 0 H VAL A 61 2.672 -2.201 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 61 5.102 -0.647 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 61 3.935 -3.171 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.127 -3.569 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.336 -2.107 -5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.656 -1.961 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.743 -4.316 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.205 -2.752 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.610 -3.455 -1.610 1.00 0.00 H new ATOM 898 N GLU A 62 2.616 -0.835 -4.876 1.00 0.00 N ATOM 899 CA GLU A 62 1.991 -0.201 -6.005 1.00 0.00 C ATOM 900 C GLU A 62 0.505 -0.287 -5.829 1.00 0.00 C ATOM 901 O GLU A 62 -0.006 -1.316 -5.442 1.00 0.00 O ATOM 902 CB GLU A 62 2.406 -0.901 -7.303 1.00 0.00 C ATOM 903 CG GLU A 62 1.729 -0.353 -8.544 1.00 0.00 C ATOM 904 CD GLU A 62 2.152 -1.055 -9.795 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.216 -0.723 -10.330 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.422 -1.948 -10.276 1.00 0.00 O ATOM 0 H GLU A 62 2.099 -1.636 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 62 2.303 0.842 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.486 -0.813 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.181 -1.964 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.648 -0.441 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.954 0.710 -8.636 1.00 0.00 H new ATOM 913 N VAL A 63 -0.174 0.796 -6.037 1.00 0.00 N ATOM 914 CA VAL A 63 -1.604 0.809 -5.964 1.00 0.00 C ATOM 915 C VAL A 63 -2.181 1.373 -7.215 1.00 0.00 C ATOM 916 O VAL A 63 -1.694 2.389 -7.715 1.00 0.00 O ATOM 917 CB VAL A 63 -2.121 1.580 -4.709 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.523 2.135 -4.923 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.156 0.630 -3.563 1.00 0.00 C ATOM 0 H VAL A 63 0.246 1.698 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.938 -0.223 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.451 2.419 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.846 2.664 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.517 2.823 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.212 1.315 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.515 1.147 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.826 -0.198 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.153 0.244 -3.379 1.00 0.00 H new ATOM 929 N ASP A 64 -3.128 0.637 -7.774 1.00 0.00 N ATOM 930 CA ASP A 64 -3.955 1.068 -8.915 1.00 0.00 C ATOM 931 C ASP A 64 -3.097 1.280 -10.173 1.00 0.00 C ATOM 932 O ASP A 64 -3.519 1.867 -11.160 1.00 0.00 O ATOM 933 CB ASP A 64 -4.772 2.332 -8.527 1.00 0.00 C ATOM 934 CG ASP A 64 -5.868 2.692 -9.513 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.794 1.877 -9.715 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.858 3.820 -10.056 1.00 0.00 O ATOM 0 H ASP A 64 -3.357 -0.302 -7.447 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.666 0.279 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.219 2.174 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.090 3.177 -8.435 1.00 0.00 H new ATOM 941 N GLY A 65 -1.904 0.726 -10.128 1.00 0.00 N ATOM 942 CA GLY A 65 -0.956 0.855 -11.195 1.00 0.00 C ATOM 943 C GLY A 65 -0.367 2.236 -11.277 1.00 0.00 C ATOM 944 O GLY A 65 0.053 2.678 -12.341 1.00 0.00 O ATOM 0 H GLY A 65 -1.570 0.171 -9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.155 0.129 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.442 0.614 -12.140 1.00 0.00 H new ATOM 948 N ILE A 66 -0.344 2.934 -10.153 1.00 0.00 N ATOM 949 CA ILE A 66 0.225 4.261 -10.110 1.00 0.00 C ATOM 950 C ILE A 66 1.750 4.158 -9.891 1.00 0.00 C ATOM 951 O ILE A 66 2.497 5.105 -10.129 1.00 0.00 O ATOM 952 CB ILE A 66 -0.436 5.106 -8.970 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.383 6.587 -9.325 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.273 4.862 -7.629 1.00 0.00 C ATOM 955 CD1 ILE A 66 -1.130 7.466 -8.360 1.00 0.00 C ATOM 0 H ILE A 66 -0.713 2.600 -9.263 1.00 0.00 H new ATOM 0 HA ILE A 66 0.032 4.764 -11.058 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.476 4.796 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.659 6.906 -9.362 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.795 6.727 -10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.203 5.459 -6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.204 3.806 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.322 5.147 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.048 8.506 -8.677 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.180 7.174 -8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.704 7.356 -7.363 1.00 0.00 H new ATOM 967 N SER A 67 2.181 2.959 -9.476 1.00 0.00 N ATOM 968 CA SER A 67 3.568 2.642 -9.119 1.00 0.00 C ATOM 969 C SER A 67 4.177 3.661 -8.161 1.00 0.00 C ATOM 970 O SER A 67 4.850 4.597 -8.565 1.00 0.00 O ATOM 971 CB SER A 67 4.447 2.356 -10.359 1.00 0.00 C ATOM 972 OG SER A 67 4.334 3.382 -11.338 1.00 0.00 O ATOM 0 H SER A 67 1.555 2.160 -9.377 1.00 0.00 H new ATOM 0 HA SER A 67 3.539 1.706 -8.561 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.488 2.261 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.156 1.402 -10.798 1.00 0.00 H new ATOM 0 HG SER A 67 4.301 4.255 -10.894 1.00 0.00 H new ATOM 978 N LEU A 68 3.915 3.473 -6.890 1.00 0.00 N ATOM 979 CA LEU A 68 4.386 4.390 -5.872 1.00 0.00 C ATOM 980 C LEU A 68 5.660 3.836 -5.245 1.00 0.00 C ATOM 981 O LEU A 68 6.113 4.271 -4.192 1.00 0.00 O ATOM 982 CB LEU A 68 3.281 4.618 -4.840 1.00 0.00 C ATOM 983 CG LEU A 68 2.835 3.405 -4.048 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.376 3.449 -2.629 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.339 3.295 -4.075 1.00 0.00 C ATOM 0 H LEU A 68 3.373 2.687 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 68 4.628 5.358 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.622 5.378 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.412 5.027 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 68 3.246 2.509 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.040 2.567 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.466 3.466 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.011 4.346 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.028 2.421 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.900 4.191 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.000 3.194 -5.106 1.00 0.00 H new ATOM 997 N VAL A 69 6.197 2.863 -5.919 1.00 0.00 N ATOM 998 CA VAL A 69 7.447 2.210 -5.579 1.00 0.00 C ATOM 999 C VAL A 69 8.587 3.248 -5.484 1.00 0.00 C ATOM 1000 O VAL A 69 9.161 3.653 -6.499 1.00 0.00 O ATOM 1001 CB VAL A 69 7.825 1.145 -6.661 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.029 0.320 -6.245 1.00 0.00 C ATOM 1003 CG2 VAL A 69 6.646 0.246 -7.007 1.00 0.00 C ATOM 0 H VAL A 69 5.765 2.479 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 69 7.316 1.718 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 69 8.096 1.697 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.258 -0.407 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.887 0.976 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.808 -0.202 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.951 -0.479 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.314 -0.280 -6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.828 0.852 -7.396 1.00 0.00 H new ATOM 1013 N GLY A 70 8.825 3.734 -4.289 1.00 0.00 N ATOM 1014 CA GLY A 70 9.910 4.656 -4.050 1.00 0.00 C ATOM 1015 C GLY A 70 9.446 6.081 -3.817 1.00 0.00 C ATOM 1016 O GLY A 70 10.253 7.018 -3.859 1.00 0.00 O ATOM 0 H GLY A 70 8.277 3.504 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.479 4.320 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.588 4.637 -4.903 1.00 0.00 H new ATOM 1020 N VAL A 71 8.168 6.264 -3.566 1.00 0.00 N ATOM 1021 CA VAL A 71 7.641 7.607 -3.343 1.00 0.00 C ATOM 1022 C VAL A 71 7.731 8.014 -1.882 1.00 0.00 C ATOM 1023 O VAL A 71 8.127 7.220 -1.026 1.00 0.00 O ATOM 1024 CB VAL A 71 6.184 7.766 -3.814 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.058 7.406 -5.279 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.231 6.953 -2.942 1.00 0.00 C ATOM 0 H VAL A 71 7.477 5.516 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 71 8.270 8.263 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 71 5.898 8.812 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.021 7.524 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.695 8.063 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.367 6.371 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.209 7.085 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.500 5.898 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.302 7.295 -1.909 1.00 0.00 H new ATOM 1036 N THR A 72 7.352 9.236 -1.605 1.00 0.00 N ATOM 1037 CA THR A 72 7.337 9.735 -0.267 1.00 0.00 C ATOM 1038 C THR A 72 5.987 9.517 0.352 1.00 0.00 C ATOM 1039 O THR A 72 5.035 9.064 -0.321 1.00 0.00 O ATOM 1040 CB THR A 72 7.661 11.231 -0.218 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.802 11.960 -1.127 1.00 0.00 O ATOM 1042 CG2 THR A 72 9.112 11.486 -0.531 1.00 0.00 C ATOM 0 H THR A 72 7.046 9.909 -2.308 1.00 0.00 H new ATOM 0 HA THR A 72 8.101 9.191 0.289 1.00 0.00 H new ATOM 0 HB THR A 72 7.476 11.586 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.299 12.709 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.311 12.557 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.737 10.972 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.339 11.114 -1.530 1.00 0.00 H new ATOM 1050 N GLN A 73 5.870 9.877 1.613 1.00 0.00 N ATOM 1051 CA GLN A 73 4.613 9.715 2.312 1.00 0.00 C ATOM 1052 C GLN A 73 3.563 10.649 1.723 1.00 0.00 C ATOM 1053 O GLN A 73 2.381 10.377 1.807 1.00 0.00 O ATOM 1054 CB GLN A 73 4.747 9.925 3.847 1.00 0.00 C ATOM 1055 CG GLN A 73 4.654 11.356 4.346 1.00 0.00 C ATOM 1056 CD GLN A 73 5.824 12.219 3.925 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.682 13.410 3.718 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.988 11.632 3.833 1.00 0.00 N ATOM 0 H GLN A 73 6.623 10.280 2.171 1.00 0.00 H new ATOM 0 HA GLN A 73 4.294 8.682 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.970 9.341 4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.705 9.514 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.731 11.803 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.590 11.350 5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.070 10.631 4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.814 12.174 3.581 1.00 0.00 H new ATOM 1067 N ASN A 74 4.025 11.734 1.090 1.00 0.00 N ATOM 1068 CA ASN A 74 3.129 12.716 0.485 1.00 0.00 C ATOM 1069 C ASN A 74 2.370 12.056 -0.606 1.00 0.00 C ATOM 1070 O ASN A 74 1.132 12.111 -0.654 1.00 0.00 O ATOM 1071 CB ASN A 74 3.876 13.891 -0.168 1.00 0.00 C ATOM 1072 CG ASN A 74 4.899 14.555 0.693 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.592 15.457 1.458 1.00 0.00 O ATOM 1074 ND2 ASN A 74 6.132 14.159 0.528 1.00 0.00 N ATOM 0 H ASN A 74 5.016 11.951 0.986 1.00 0.00 H new ATOM 0 HA ASN A 74 2.497 13.096 1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.365 13.531 -1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.145 14.638 -0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.886 14.607 1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.342 13.401 -0.122 1.00 0.00 H new ATOM 1081 N PHE A 75 3.124 11.401 -1.465 1.00 0.00 N ATOM 1082 CA PHE A 75 2.588 10.783 -2.620 1.00 0.00 C ATOM 1083 C PHE A 75 1.724 9.601 -2.225 1.00 0.00 C ATOM 1084 O PHE A 75 0.570 9.510 -2.630 1.00 0.00 O ATOM 1085 CB PHE A 75 3.707 10.337 -3.549 1.00 0.00 C ATOM 1086 CG PHE A 75 3.230 9.899 -4.912 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.795 8.605 -5.134 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.228 10.786 -5.972 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.369 8.203 -6.369 1.00 0.00 C ATOM 1090 CE2 PHE A 75 2.797 10.389 -7.221 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.367 9.093 -7.420 1.00 0.00 C ATOM 0 H PHE A 75 4.133 11.292 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 75 1.969 11.507 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.415 11.157 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.248 9.514 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.792 7.899 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.567 11.800 -5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.034 7.188 -6.521 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.796 11.091 -8.041 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.030 8.778 -8.396 1.00 0.00 H new ATOM 1101 N ALA A 76 2.272 8.728 -1.388 1.00 0.00 N ATOM 1102 CA ALA A 76 1.576 7.518 -0.985 1.00 0.00 C ATOM 1103 C ALA A 76 0.255 7.817 -0.266 1.00 0.00 C ATOM 1104 O ALA A 76 -0.768 7.234 -0.601 1.00 0.00 O ATOM 1105 CB ALA A 76 2.471 6.643 -0.146 1.00 0.00 C ATOM 0 H ALA A 76 3.198 8.838 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 76 1.319 6.975 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.930 5.742 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.353 6.366 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.778 7.187 0.748 1.00 0.00 H new ATOM 1111 N ALA A 77 0.262 8.783 0.663 1.00 0.00 N ATOM 1112 CA ALA A 77 -0.960 9.143 1.412 1.00 0.00 C ATOM 1113 C ALA A 77 -2.003 9.756 0.493 1.00 0.00 C ATOM 1114 O ALA A 77 -3.170 9.861 0.840 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.646 10.099 2.551 1.00 0.00 C ATOM 0 H ALA A 77 1.088 9.326 0.915 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.365 8.223 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.565 10.345 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.056 9.628 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.204 11.011 2.149 1.00 0.00 H new ATOM 1121 N THR A 78 -1.565 10.168 -0.664 1.00 0.00 N ATOM 1122 CA THR A 78 -2.429 10.698 -1.654 1.00 0.00 C ATOM 1123 C THR A 78 -3.037 9.554 -2.488 1.00 0.00 C ATOM 1124 O THR A 78 -4.235 9.559 -2.774 1.00 0.00 O ATOM 1125 CB THR A 78 -1.668 11.707 -2.538 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.255 12.822 -1.734 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.509 12.173 -3.709 1.00 0.00 C ATOM 0 H THR A 78 -0.583 10.140 -0.939 1.00 0.00 H new ATOM 0 HA THR A 78 -3.248 11.233 -1.173 1.00 0.00 H new ATOM 0 HB THR A 78 -0.791 11.211 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.339 12.676 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.938 12.883 -4.308 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.782 11.316 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.413 12.656 -3.338 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.221 8.572 -2.840 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.681 7.411 -3.613 1.00 0.00 C ATOM 1137 C VAL A 79 -3.718 6.625 -2.830 1.00 0.00 C ATOM 1138 O VAL A 79 -4.821 6.413 -3.306 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.532 6.454 -4.003 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.042 5.341 -4.912 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.420 7.213 -4.665 1.00 0.00 C ATOM 0 H VAL A 79 -1.229 8.550 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.115 7.813 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.142 5.996 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.217 4.679 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.813 4.772 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.461 5.776 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.381 6.524 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.797 7.700 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.035 7.967 -3.979 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.370 6.255 -1.601 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.260 5.473 -0.714 1.00 0.00 C ATOM 1153 C LEU A 80 -5.490 6.285 -0.248 1.00 0.00 C ATOM 1154 O LEU A 80 -6.343 5.795 0.488 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.496 4.895 0.505 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.468 3.754 0.250 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.096 2.607 -0.509 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.219 4.238 -0.462 1.00 0.00 C ATOM 0 H LEU A 80 -2.468 6.482 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.626 4.639 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.969 5.717 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.234 4.526 1.217 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.161 3.397 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.352 1.827 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.928 2.201 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.462 2.965 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.538 3.400 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.492 4.662 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.728 5.000 0.143 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.540 7.520 -0.662 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.662 8.398 -0.428 1.00 0.00 C ATOM 1172 C ARG A 81 -7.555 8.399 -1.663 1.00 0.00 C ATOM 1173 O ARG A 81 -8.770 8.278 -1.583 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.127 9.785 -0.239 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.162 10.854 -0.040 1.00 0.00 C ATOM 1176 CD ARG A 81 -6.503 12.189 -0.199 1.00 0.00 C ATOM 1177 NE ARG A 81 -5.400 12.353 0.757 1.00 0.00 N ATOM 1178 CZ ARG A 81 -4.345 13.161 0.616 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -4.268 14.018 -0.408 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -3.379 13.128 1.526 1.00 0.00 N ATOM 0 H ARG A 81 -4.783 7.960 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.227 8.070 0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.460 9.784 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.524 10.045 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.968 10.741 -0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.610 10.768 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.125 12.292 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.238 12.980 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.443 11.797 1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.021 14.061 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.456 14.628 -0.502 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.448 12.491 2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.568 13.739 1.431 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.901 8.471 -2.807 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.532 8.611 -4.118 1.00 0.00 C ATOM 1196 C ASN A 82 -7.978 7.289 -4.697 1.00 0.00 C ATOM 1197 O ASN A 82 -8.382 7.204 -5.860 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.568 9.298 -5.073 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.639 10.795 -4.989 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.338 11.429 -5.768 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.944 11.369 -4.063 1.00 0.00 N ATOM 0 H ASN A 82 -5.883 8.433 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.429 9.216 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.551 8.973 -4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.788 8.984 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.967 12.384 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.373 10.807 -3.432 1.00 0.00 H new ATOM 1208 N THR A 83 -7.900 6.278 -3.896 1.00 0.00 N ATOM 1209 CA THR A 83 -8.318 4.950 -4.242 1.00 0.00 C ATOM 1210 C THR A 83 -9.830 4.848 -4.475 1.00 0.00 C ATOM 1211 O THR A 83 -10.571 5.813 -4.286 1.00 0.00 O ATOM 1212 CB THR A 83 -7.885 4.007 -3.143 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.063 4.678 -1.885 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.432 3.617 -3.325 1.00 0.00 C ATOM 0 H THR A 83 -7.531 6.351 -2.948 1.00 0.00 H new ATOM 0 HA THR A 83 -7.846 4.678 -5.186 1.00 0.00 H new ATOM 0 HB THR A 83 -8.484 3.097 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.006 4.636 -1.622 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.135 2.938 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.306 3.122 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.809 4.511 -3.292 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.272 3.681 -4.853 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.640 3.445 -5.211 1.00 0.00 C ATOM 1224 C LYS A 84 -12.108 2.108 -4.656 1.00 0.00 C ATOM 1225 O LYS A 84 -11.558 1.635 -3.660 1.00 0.00 O ATOM 1226 CB LYS A 84 -11.735 3.478 -6.711 1.00 0.00 C ATOM 1227 CG LYS A 84 -10.818 2.529 -7.418 1.00 0.00 C ATOM 1228 CD LYS A 84 -11.002 2.730 -8.860 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.118 1.811 -9.687 1.00 0.00 C ATOM 1230 NZ LYS A 84 -10.240 2.080 -11.131 1.00 0.00 N ATOM 0 H LYS A 84 -9.680 2.853 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.287 4.213 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.761 3.254 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.521 4.491 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.782 2.714 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.045 1.499 -7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.046 2.556 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.780 3.767 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.079 1.936 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.387 0.774 -9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.621 1.432 -11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.226 1.936 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.959 3.062 -11.326 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.119 1.525 -5.283 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.642 0.249 -4.854 1.00 0.00 C ATOM 1246 C GLY A 85 -12.690 -0.884 -5.169 1.00 0.00 C ATOM 1247 O GLY A 85 -12.082 -1.449 -4.274 1.00 0.00 O ATOM 0 H GLY A 85 -13.592 1.923 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.832 0.276 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.599 0.066 -5.342 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.526 -1.179 -6.442 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.639 -2.260 -6.867 1.00 0.00 C ATOM 1253 C ASN A 86 -10.241 -1.746 -7.025 1.00 0.00 C ATOM 1254 O ASN A 86 -9.913 -1.036 -7.990 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.108 -2.960 -8.155 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.310 -3.866 -7.952 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -13.160 -5.043 -7.637 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -14.502 -3.353 -8.154 1.00 0.00 N ATOM 0 H ASN A 86 -12.992 -0.690 -7.206 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.665 -3.016 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.355 -2.204 -8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.284 -3.548 -8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.332 -3.936 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.597 -2.372 -8.415 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.423 -2.068 -6.074 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.080 -1.572 -6.035 1.00 0.00 C ATOM 1267 C VAL A 87 -7.118 -2.709 -6.153 1.00 0.00 C ATOM 1268 O VAL A 87 -7.271 -3.717 -5.484 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.771 -0.888 -4.701 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.554 -0.001 -4.808 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.963 -0.165 -4.143 1.00 0.00 C ATOM 0 H VAL A 87 -9.666 -2.684 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.981 -0.863 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.532 -1.672 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.361 0.470 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.691 -0.601 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.730 0.769 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.694 0.304 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.287 0.601 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.775 -0.874 -3.979 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.153 -2.557 -6.989 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.098 -3.505 -7.091 1.00 0.00 C ATOM 1283 C ARG A 88 -3.919 -3.022 -6.294 1.00 0.00 C ATOM 1284 O ARG A 88 -3.240 -2.067 -6.676 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.761 -3.758 -8.550 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.847 -4.567 -9.233 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.791 -4.474 -10.732 1.00 0.00 C ATOM 1288 NE ARG A 88 -4.559 -4.995 -11.335 1.00 0.00 N ATOM 1289 CZ ARG A 88 -4.263 -4.897 -12.644 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -5.084 -4.253 -13.466 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -3.146 -5.438 -13.118 1.00 0.00 N ATOM 0 H ARG A 88 -6.072 -1.765 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.407 -4.463 -6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.634 -2.807 -9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.811 -4.288 -8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.756 -5.612 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.822 -4.221 -8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.640 -5.017 -11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.907 -3.430 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.886 -5.460 -10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.940 -3.832 -13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.858 -4.180 -14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.510 -5.929 -12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.924 -5.362 -14.111 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.767 -3.599 -5.130 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.653 -3.315 -4.270 1.00 0.00 C ATOM 1307 C PHE A 89 -1.596 -4.319 -4.578 1.00 0.00 C ATOM 1308 O PHE A 89 -1.742 -5.481 -4.249 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.011 -3.482 -2.785 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.073 -2.593 -2.242 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -5.400 -2.926 -2.355 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -3.736 -1.435 -1.588 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -6.369 -2.103 -1.826 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -4.698 -0.616 -1.058 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.018 -0.953 -1.180 1.00 0.00 C ATOM 0 H PHE A 89 -4.420 -4.285 -4.751 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.338 -2.285 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.320 -4.515 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.106 -3.325 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.685 -3.837 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.695 -1.165 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.411 -2.369 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.415 0.292 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.781 -0.310 -0.766 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.572 -3.922 -5.212 1.00 0.00 N ATOM 1326 CA VAL A 90 0.480 -4.831 -5.488 1.00 0.00 C ATOM 1327 C VAL A 90 1.491 -4.632 -4.402 1.00 0.00 C ATOM 1328 O VAL A 90 2.325 -3.756 -4.470 1.00 0.00 O ATOM 1329 CB VAL A 90 1.112 -4.628 -6.882 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.166 -5.696 -7.168 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.038 -4.637 -7.951 1.00 0.00 C ATOM 0 H VAL A 90 -0.429 -2.972 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 90 0.095 -5.850 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 90 1.608 -3.658 -6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.595 -5.529 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.954 -5.640 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.703 -6.682 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.497 -4.493 -8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.485 -5.593 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.671 -3.832 -7.761 1.00 0.00 H new ATOM 1341 N ILE A 91 1.265 -5.324 -3.344 1.00 0.00 N ATOM 1342 CA ILE A 91 2.066 -5.309 -2.160 1.00 0.00 C ATOM 1343 C ILE A 91 3.034 -6.460 -2.218 1.00 0.00 C ATOM 1344 O ILE A 91 2.831 -7.401 -2.967 1.00 0.00 O ATOM 1345 CB ILE A 91 1.104 -5.418 -0.938 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.281 -4.140 -0.862 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.811 -5.722 0.404 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.773 -4.160 0.159 1.00 0.00 C ATOM 0 H ILE A 91 0.468 -5.957 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 91 2.646 -4.391 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 91 0.458 -6.281 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.949 -3.303 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.175 -3.957 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.069 -5.781 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.340 -6.672 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.522 -4.927 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.311 -3.212 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.467 -4.974 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.325 -4.309 1.141 1.00 0.00 H new ATOM 1360 N GLY A 92 4.088 -6.377 -1.484 1.00 0.00 N ATOM 1361 CA GLY A 92 5.014 -7.424 -1.486 1.00 0.00 C ATOM 1362 C GLY A 92 5.473 -7.742 -0.105 1.00 0.00 C ATOM 1363 O GLY A 92 5.533 -6.859 0.748 1.00 0.00 O ATOM 0 H GLY A 92 4.319 -5.589 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.564 -8.309 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.871 -7.154 -2.103 1.00 0.00 H new ATOM 1367 N ARG A 93 5.799 -8.974 0.125 1.00 0.00 N ATOM 1368 CA ARG A 93 6.275 -9.391 1.418 1.00 0.00 C ATOM 1369 C ARG A 93 7.699 -9.844 1.270 1.00 0.00 C ATOM 1370 O ARG A 93 8.026 -10.566 0.326 1.00 0.00 O ATOM 1371 CB ARG A 93 5.430 -10.510 1.997 1.00 0.00 C ATOM 1372 CG ARG A 93 5.110 -10.300 3.470 1.00 0.00 C ATOM 1373 CD ARG A 93 5.460 -11.502 4.304 1.00 0.00 C ATOM 1374 NE ARG A 93 6.915 -11.679 4.469 1.00 0.00 N ATOM 1375 CZ ARG A 93 7.513 -12.832 4.800 1.00 0.00 C ATOM 1376 NH1 ARG A 93 6.789 -13.913 5.051 1.00 0.00 N ATOM 1377 NH2 ARG A 93 8.826 -12.897 4.896 1.00 0.00 N ATOM 0 H ARG A 93 5.746 -9.720 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 93 6.207 -8.550 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.500 -10.586 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.955 -11.457 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.657 -9.432 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.049 -10.079 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.997 -11.405 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.040 -12.395 3.841 1.00 0.00 H new ATOM 0 HE ARG A 93 7.510 -10.864 4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.772 -13.870 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.249 -14.788 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.392 -12.067 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.276 -13.777 5.148 1.00 0.00 H new ATOM 1391 N GLU A 94 8.519 -9.420 2.172 1.00 0.00 N ATOM 1392 CA GLU A 94 9.929 -9.666 2.161 1.00 0.00 C ATOM 1393 C GLU A 94 10.293 -11.065 2.662 1.00 0.00 C ATOM 1394 O GLU A 94 10.295 -12.018 1.850 1.00 0.00 O ATOM 1395 CB GLU A 94 10.652 -8.538 2.939 1.00 0.00 C ATOM 1396 CG GLU A 94 9.808 -7.799 4.015 1.00 0.00 C ATOM 1397 CD GLU A 94 9.245 -8.679 5.115 1.00 0.00 C ATOM 1398 OE1 GLU A 94 8.135 -9.229 4.941 1.00 0.00 O ATOM 1399 OE2 GLU A 94 9.885 -8.802 6.178 1.00 0.00 O ATOM 0 H GLU A 94 8.215 -8.868 2.974 1.00 0.00 H new ATOM 0 HA GLU A 94 10.275 -9.648 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.530 -8.965 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.012 -7.802 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.427 -7.027 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.980 -7.292 3.519 1.00 0.00 H new TER 1406 GLU A 94