USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 5 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.54! C(o=-1.5!,f=-6.5!) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.17 (180deg=0.927) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.11) USER MOD Single : A 15 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 24 THR OG1 : rot 81:sc= 0.927 USER MOD Single : A 25 TYR OH : rot 150:sc= -2.7! USER MOD Single : A 26 THR OG1 : rot -53:sc= 0.796 USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 1.91 (180deg=-0.839!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -1.89 (180deg=-2.99!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0045 USER MOD Single : A 40 SER OG : rot -71:sc= 1.04 USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= 0.001 (180deg=-0.0591) USER MOD Single : A 46 SER OG : rot 49:sc= 1.76 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -6.9! K(o=-6.9!,f=-0.11) USER MOD Single : A 61 GLN : amide:sc= -3.64! C(o=-3.6!,f=-1.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.519 -3.229 0.728 1.00 0.00 N ATOM 2 CA ASN A 5 17.716 -3.030 1.921 1.00 0.00 C ATOM 3 C ASN A 5 16.384 -2.412 1.550 1.00 0.00 C ATOM 4 O ASN A 5 15.326 -2.930 1.895 1.00 0.00 O ATOM 5 CB ASN A 5 18.454 -2.129 2.902 1.00 0.00 C ATOM 6 CG ASN A 5 17.688 -1.922 4.196 1.00 0.00 C ATOM 7 OD1 ASN A 5 17.771 -0.861 4.817 1.00 0.00 O ATOM 8 ND2 ASN A 5 16.944 -2.931 4.618 1.00 0.00 N ATOM 0 HA ASN A 5 17.539 -3.996 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.428 -2.564 3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 5 18.637 -1.162 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 5 16.414 -2.846 5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 5 16.901 -3.794 4.076 1.00 0.00 H new ATOM 15 N GLU A 6 16.449 -1.319 0.814 1.00 0.00 N ATOM 16 CA GLU A 6 15.260 -0.635 0.351 1.00 0.00 C ATOM 17 C GLU A 6 14.463 -1.541 -0.570 1.00 0.00 C ATOM 18 O GLU A 6 13.236 -1.528 -0.552 1.00 0.00 O ATOM 19 CB GLU A 6 15.642 0.665 -0.363 1.00 0.00 C ATOM 20 CG GLU A 6 17.101 0.731 -0.810 1.00 0.00 C ATOM 21 CD GLU A 6 17.467 -0.275 -1.887 1.00 0.00 C ATOM 22 OE1 GLU A 6 17.712 -1.454 -1.542 1.00 0.00 O ATOM 23 OE2 GLU A 6 17.549 0.119 -3.063 1.00 0.00 O ATOM 0 H GLU A 6 17.324 -0.883 0.522 1.00 0.00 H new ATOM 0 HA GLU A 6 14.638 -0.384 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.001 0.788 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.440 1.504 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.311 1.735 -1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.743 0.569 0.056 1.00 0.00 H new ATOM 30 N ARG A 7 15.171 -2.344 -1.354 1.00 0.00 N ATOM 31 CA ARG A 7 14.528 -3.303 -2.237 1.00 0.00 C ATOM 32 C ARG A 7 13.742 -4.322 -1.424 1.00 0.00 C ATOM 33 O ARG A 7 12.619 -4.681 -1.783 1.00 0.00 O ATOM 34 CB ARG A 7 15.558 -3.989 -3.134 1.00 0.00 C ATOM 35 CG ARG A 7 16.288 -3.002 -4.021 1.00 0.00 C ATOM 36 CD ARG A 7 15.339 -1.910 -4.490 1.00 0.00 C ATOM 37 NE ARG A 7 16.039 -0.819 -5.162 1.00 0.00 N ATOM 38 CZ ARG A 7 15.565 -0.164 -6.220 1.00 0.00 C ATOM 39 NH1 ARG A 7 14.411 -0.525 -6.758 1.00 0.00 N ATOM 40 NH2 ARG A 7 16.245 0.851 -6.735 1.00 0.00 N ATOM 0 H ARG A 7 16.190 -2.349 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 7 13.830 -2.770 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.280 -4.522 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 7 15.059 -4.733 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.121 -2.559 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.711 -3.520 -4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.602 -2.339 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.792 -1.515 -3.634 1.00 0.00 H new ATOM 0 HE ARG A 7 16.950 -0.541 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.885 -1.304 -6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.047 -0.024 -7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.134 1.132 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.879 1.351 -7.545 1.00 0.00 H new ATOM 54 N ARG A 8 14.322 -4.762 -0.305 1.00 0.00 N ATOM 55 CA ARG A 8 13.640 -5.693 0.584 1.00 0.00 C ATOM 56 C ARG A 8 12.431 -5.014 1.220 1.00 0.00 C ATOM 57 O ARG A 8 11.355 -5.600 1.315 1.00 0.00 O ATOM 58 CB ARG A 8 14.571 -6.208 1.691 1.00 0.00 C ATOM 59 CG ARG A 8 14.002 -7.437 2.394 1.00 0.00 C ATOM 60 CD ARG A 8 14.847 -7.896 3.572 1.00 0.00 C ATOM 61 NE ARG A 8 14.048 -8.698 4.505 1.00 0.00 N ATOM 62 CZ ARG A 8 14.550 -9.510 5.439 1.00 0.00 C ATOM 63 NH1 ARG A 8 15.856 -9.728 5.520 1.00 0.00 N ATOM 64 NH2 ARG A 8 13.730 -10.134 6.275 1.00 0.00 N ATOM 0 H ARG A 8 15.256 -4.489 0.002 1.00 0.00 H new ATOM 0 HA ARG A 8 13.319 -6.545 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.542 -6.454 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.736 -5.417 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.994 -7.214 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.918 -8.252 1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.692 -8.483 3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.258 -7.030 4.090 1.00 0.00 H new ATOM 0 HE ARG A 8 13.033 -8.630 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.491 -9.273 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.226 -10.351 6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.723 -9.992 6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.107 -10.755 6.991 1.00 0.00 H new ATOM 78 N ILE A 9 12.621 -3.766 1.642 1.00 0.00 N ATOM 79 CA ILE A 9 11.569 -2.989 2.274 1.00 0.00 C ATOM 80 C ILE A 9 10.398 -2.791 1.325 1.00 0.00 C ATOM 81 O ILE A 9 9.250 -3.064 1.674 1.00 0.00 O ATOM 82 CB ILE A 9 12.112 -1.613 2.707 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.097 -1.773 3.857 1.00 0.00 C ATOM 84 CG2 ILE A 9 10.981 -0.662 3.096 1.00 0.00 C ATOM 85 CD1 ILE A 9 13.837 -0.496 4.172 1.00 0.00 C ATOM 0 H ILE A 9 13.508 -3.270 1.554 1.00 0.00 H new ATOM 0 HA ILE A 9 11.224 -3.538 3.150 1.00 0.00 H new ATOM 0 HB ILE A 9 12.632 -1.174 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.561 -2.106 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 9 13.816 -2.553 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.400 0.298 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.317 -0.518 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.418 -1.087 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.525 -0.669 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.398 -0.175 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.123 0.279 4.450 1.00 0.00 H new ATOM 97 N LEU A 10 10.712 -2.339 0.120 1.00 0.00 N ATOM 98 CA LEU A 10 9.716 -2.043 -0.886 1.00 0.00 C ATOM 99 C LEU A 10 8.850 -3.260 -1.202 1.00 0.00 C ATOM 100 O LEU A 10 7.634 -3.145 -1.261 1.00 0.00 O ATOM 101 CB LEU A 10 10.409 -1.539 -2.148 1.00 0.00 C ATOM 102 CG LEU A 10 9.477 -0.986 -3.223 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.811 0.288 -2.733 1.00 0.00 C ATOM 104 CD2 LEU A 10 10.247 -0.729 -4.506 1.00 0.00 C ATOM 0 H LEU A 10 11.671 -2.168 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 10 9.053 -1.270 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.118 -0.760 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.988 -2.357 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 10 8.702 -1.723 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.149 0.674 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.232 0.074 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.574 1.032 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.570 -0.335 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.040 -0.005 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.685 -1.662 -4.861 1.00 0.00 H new ATOM 116 N GLU A 11 9.468 -4.425 -1.385 1.00 0.00 N ATOM 117 CA GLU A 11 8.717 -5.634 -1.742 1.00 0.00 C ATOM 118 C GLU A 11 7.954 -6.188 -0.541 1.00 0.00 C ATOM 119 O GLU A 11 6.820 -6.659 -0.677 1.00 0.00 O ATOM 120 CB GLU A 11 9.654 -6.709 -2.294 1.00 0.00 C ATOM 121 CG GLU A 11 10.382 -6.294 -3.562 1.00 0.00 C ATOM 122 CD GLU A 11 9.457 -6.164 -4.752 1.00 0.00 C ATOM 123 OE1 GLU A 11 9.183 -7.196 -5.404 1.00 0.00 O ATOM 124 OE2 GLU A 11 9.001 -5.040 -5.051 1.00 0.00 O ATOM 0 H GLU A 11 10.475 -4.561 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 11 7.998 -5.356 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.389 -6.964 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.078 -7.612 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.884 -5.342 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.156 -7.027 -3.788 1.00 0.00 H new ATOM 131 N GLN A 12 8.578 -6.138 0.628 1.00 0.00 N ATOM 132 CA GLN A 12 7.941 -6.610 1.850 1.00 0.00 C ATOM 133 C GLN A 12 6.745 -5.732 2.198 1.00 0.00 C ATOM 134 O GLN A 12 5.667 -6.230 2.530 1.00 0.00 O ATOM 135 CB GLN A 12 8.942 -6.616 3.007 1.00 0.00 C ATOM 136 CG GLN A 12 8.424 -7.294 4.268 1.00 0.00 C ATOM 137 CD GLN A 12 8.221 -8.792 4.098 1.00 0.00 C ATOM 138 OE1 GLN A 12 7.924 -9.279 3.008 1.00 0.00 O ATOM 139 NE2 GLN A 12 8.379 -9.536 5.179 1.00 0.00 N ATOM 0 H GLN A 12 9.523 -5.776 0.756 1.00 0.00 H new ATOM 0 HA GLN A 12 7.592 -7.629 1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.853 -7.120 2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.214 -5.588 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.126 -7.118 5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.479 -6.836 4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.625 -9.099 6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.254 -10.547 5.125 1.00 0.00 H new ATOM 148 N LYS A 13 6.935 -4.420 2.113 1.00 0.00 N ATOM 149 CA LYS A 13 5.853 -3.482 2.367 1.00 0.00 C ATOM 150 C LYS A 13 4.833 -3.536 1.239 1.00 0.00 C ATOM 151 O LYS A 13 3.658 -3.290 1.460 1.00 0.00 O ATOM 152 CB LYS A 13 6.384 -2.055 2.551 1.00 0.00 C ATOM 153 CG LYS A 13 7.136 -1.850 3.863 1.00 0.00 C ATOM 154 CD LYS A 13 6.260 -2.156 5.071 1.00 0.00 C ATOM 155 CE LYS A 13 6.983 -1.868 6.377 1.00 0.00 C ATOM 156 NZ LYS A 13 6.133 -2.193 7.551 1.00 0.00 N ATOM 0 H LYS A 13 7.825 -3.985 1.871 1.00 0.00 H new ATOM 0 HA LYS A 13 5.363 -3.774 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.046 -1.812 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.548 -1.356 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.017 -2.492 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.490 -0.821 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.349 -1.560 5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.958 -3.203 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.904 -2.450 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.268 -0.817 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.673 -2.033 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.290 -1.584 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.840 -3.190 7.502 1.00 0.00 H new ATOM 170 N LYS A 14 5.289 -3.881 0.037 1.00 0.00 N ATOM 171 CA LYS A 14 4.402 -4.058 -1.103 1.00 0.00 C ATOM 172 C LYS A 14 3.322 -5.085 -0.764 1.00 0.00 C ATOM 173 O LYS A 14 2.128 -4.826 -0.919 1.00 0.00 O ATOM 174 CB LYS A 14 5.210 -4.515 -2.323 1.00 0.00 C ATOM 175 CG LYS A 14 4.507 -4.279 -3.650 1.00 0.00 C ATOM 176 CD LYS A 14 5.416 -4.597 -4.827 1.00 0.00 C ATOM 177 CE LYS A 14 6.142 -3.362 -5.354 1.00 0.00 C ATOM 178 NZ LYS A 14 7.160 -3.732 -6.374 1.00 0.00 N ATOM 0 H LYS A 14 6.274 -4.044 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 14 3.921 -3.108 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.166 -3.991 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.430 -5.578 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.611 -4.898 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.181 -3.241 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.149 -5.344 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.825 -5.038 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.421 -2.671 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.624 -2.840 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.566 -2.869 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.915 -4.289 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.712 -4.297 -7.123 1.00 0.00 H new ATOM 192 N HIS A 15 3.751 -6.237 -0.252 1.00 0.00 N ATOM 193 CA HIS A 15 2.811 -7.282 0.127 1.00 0.00 C ATOM 194 C HIS A 15 2.014 -6.873 1.360 1.00 0.00 C ATOM 195 O HIS A 15 0.806 -7.071 1.407 1.00 0.00 O ATOM 196 CB HIS A 15 3.526 -8.618 0.379 1.00 0.00 C ATOM 197 CG HIS A 15 2.616 -9.708 0.889 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.013 -10.631 1.826 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.327 -10.018 0.588 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.018 -11.458 2.079 1.00 0.00 C ATOM 201 NE2 HIS A 15 0.982 -11.112 1.343 1.00 0.00 N ATOM 0 H HIS A 15 4.732 -6.466 -0.093 1.00 0.00 H new ATOM 0 HA HIS A 15 2.123 -7.418 -0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.992 -8.951 -0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.328 -8.460 1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.692 -9.500 -0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.048 -12.283 2.775 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.075 -11.579 1.335 1.00 0.00 H new ATOM 210 N TYR A 16 2.679 -6.304 2.357 1.00 0.00 N ATOM 211 CA TYR A 16 1.999 -5.947 3.597 1.00 0.00 C ATOM 212 C TYR A 16 1.046 -4.763 3.427 1.00 0.00 C ATOM 213 O TYR A 16 0.075 -4.654 4.161 1.00 0.00 O ATOM 214 CB TYR A 16 2.994 -5.685 4.723 1.00 0.00 C ATOM 215 CG TYR A 16 3.090 -6.847 5.684 1.00 0.00 C ATOM 216 CD1 TYR A 16 1.978 -7.644 5.929 1.00 0.00 C ATOM 217 CD2 TYR A 16 4.274 -7.154 6.342 1.00 0.00 C ATOM 218 CE1 TYR A 16 2.040 -8.711 6.793 1.00 0.00 C ATOM 219 CE2 TYR A 16 4.345 -8.225 7.216 1.00 0.00 C ATOM 220 CZ TYR A 16 3.224 -9.002 7.436 1.00 0.00 C ATOM 221 OH TYR A 16 3.286 -10.080 8.292 1.00 0.00 O ATOM 0 H TYR A 16 3.674 -6.082 2.334 1.00 0.00 H new ATOM 0 HA TYR A 16 1.390 -6.809 3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.977 -5.486 4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.696 -4.789 5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.046 -7.420 5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.152 -6.549 6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.165 -9.319 6.967 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.271 -8.452 7.723 1.00 0.00 H new ATOM 0 HH TYR A 16 4.190 -10.151 8.664 1.00 0.00 H new ATOM 231 N PHE A 17 1.311 -3.898 2.461 1.00 0.00 N ATOM 232 CA PHE A 17 0.409 -2.808 2.140 1.00 0.00 C ATOM 233 C PHE A 17 -0.797 -3.358 1.398 1.00 0.00 C ATOM 234 O PHE A 17 -1.898 -2.862 1.550 1.00 0.00 O ATOM 235 CB PHE A 17 1.119 -1.765 1.288 1.00 0.00 C ATOM 236 CG PHE A 17 0.310 -0.532 1.027 1.00 0.00 C ATOM 237 CD1 PHE A 17 -0.128 0.247 2.079 1.00 0.00 C ATOM 238 CD2 PHE A 17 -0.020 -0.161 -0.268 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.879 1.383 1.851 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.773 0.971 -0.505 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.203 1.746 0.557 1.00 0.00 C ATOM 0 H PHE A 17 2.151 -3.932 1.883 1.00 0.00 H new ATOM 0 HA PHE A 17 0.081 -2.330 3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.047 -1.479 1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.392 -2.216 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.119 -0.035 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.316 -0.764 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.213 1.987 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.026 1.251 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.791 2.633 0.376 1.00 0.00 H new ATOM 251 N TRP A 18 -0.579 -4.407 0.613 1.00 0.00 N ATOM 252 CA TRP A 18 -1.685 -5.089 -0.075 1.00 0.00 C ATOM 253 C TRP A 18 -2.466 -5.873 0.962 1.00 0.00 C ATOM 254 O TRP A 18 -3.678 -6.018 0.885 1.00 0.00 O ATOM 255 CB TRP A 18 -1.147 -6.027 -1.168 1.00 0.00 C ATOM 256 CG TRP A 18 -2.162 -6.621 -2.131 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.883 -7.614 -3.032 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.569 -6.292 -2.341 1.00 0.00 C ATOM 259 NE1 TRP A 18 -2.996 -7.923 -3.771 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.033 -7.141 -3.372 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.488 -5.385 -1.782 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.339 -7.116 -3.838 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.795 -5.364 -2.268 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.199 -6.224 -3.282 1.00 0.00 C ATOM 0 H TRP A 18 0.342 -4.806 0.434 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.332 -4.358 -0.561 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.408 -5.478 -1.751 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.622 -6.848 -0.681 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.919 -8.088 -3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.039 -8.630 -4.505 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.186 -4.716 -0.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.663 -7.786 -4.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.506 -4.667 -1.849 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.219 -6.182 -3.635 1.00 0.00 H new ATOM 275 N LEU A 19 -1.748 -6.326 1.974 1.00 0.00 N ATOM 276 CA LEU A 19 -2.344 -7.048 3.070 1.00 0.00 C ATOM 277 C LEU A 19 -3.177 -6.060 3.865 1.00 0.00 C ATOM 278 O LEU A 19 -4.326 -6.311 4.206 1.00 0.00 O ATOM 279 CB LEU A 19 -1.234 -7.654 3.937 1.00 0.00 C ATOM 280 CG LEU A 19 -1.670 -8.761 4.891 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.703 -9.932 4.817 1.00 0.00 C ATOM 282 CD2 LEU A 19 -1.735 -8.226 6.307 1.00 0.00 C ATOM 0 H LEU A 19 -0.739 -6.201 2.054 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.977 -7.862 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.460 -8.050 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.778 -6.855 4.521 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.660 -9.109 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.026 -10.715 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.685 -10.325 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.296 -9.597 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.047 -9.022 6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.751 -7.863 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.454 -7.408 6.354 1.00 0.00 H new ATOM 294 N LEU A 20 -2.570 -4.909 4.088 1.00 0.00 N ATOM 295 CA LEU A 20 -3.181 -3.774 4.771 1.00 0.00 C ATOM 296 C LEU A 20 -4.419 -3.292 4.000 1.00 0.00 C ATOM 297 O LEU A 20 -5.512 -3.166 4.558 1.00 0.00 O ATOM 298 CB LEU A 20 -2.121 -2.655 4.824 1.00 0.00 C ATOM 299 CG LEU A 20 -2.285 -1.574 5.884 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.620 -0.853 5.758 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.111 -2.188 7.254 1.00 0.00 C ATOM 0 H LEU A 20 -1.611 -4.729 3.792 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.503 -4.054 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.147 -3.122 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.098 -2.168 3.849 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.515 -0.817 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.696 -0.090 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.688 -0.382 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.433 -1.570 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.228 -1.417 8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.863 -2.963 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.117 -2.628 7.332 1.00 0.00 H new ATOM 313 N LEU A 21 -4.230 -3.059 2.707 1.00 0.00 N ATOM 314 CA LEU A 21 -5.231 -2.471 1.854 1.00 0.00 C ATOM 315 C LEU A 21 -6.363 -3.486 1.617 1.00 0.00 C ATOM 316 O LEU A 21 -7.518 -3.103 1.446 1.00 0.00 O ATOM 317 CB LEU A 21 -4.509 -2.044 0.553 1.00 0.00 C ATOM 318 CG LEU A 21 -5.122 -0.934 -0.324 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.639 -0.931 -0.298 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.559 0.399 0.109 1.00 0.00 C ATOM 0 H LEU A 21 -3.360 -3.280 2.223 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.702 -1.595 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.503 -1.726 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.405 -2.932 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.849 -1.130 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.012 -0.128 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.011 -1.887 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.985 -0.775 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.986 1.191 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.808 0.577 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.476 0.392 -0.010 1.00 0.00 H new ATOM 332 N GLN A 22 -6.042 -4.783 1.647 1.00 0.00 N ATOM 333 CA GLN A 22 -7.070 -5.815 1.470 1.00 0.00 C ATOM 334 C GLN A 22 -7.831 -6.078 2.767 1.00 0.00 C ATOM 335 O GLN A 22 -9.052 -6.215 2.753 1.00 0.00 O ATOM 336 CB GLN A 22 -6.491 -7.136 0.940 1.00 0.00 C ATOM 337 CG GLN A 22 -7.574 -8.162 0.606 1.00 0.00 C ATOM 338 CD GLN A 22 -7.053 -9.459 0.014 1.00 0.00 C ATOM 339 OE1 GLN A 22 -5.941 -9.896 0.303 1.00 0.00 O ATOM 340 NE2 GLN A 22 -7.871 -10.088 -0.822 1.00 0.00 N ATOM 0 H GLN A 22 -5.097 -5.140 1.789 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.761 -5.423 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.898 -6.936 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.815 -7.556 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.132 -8.390 1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.277 -7.714 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.786 -9.691 -1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.584 -10.968 -1.251 1.00 0.00 H new ATOM 349 N ARG A 23 -7.125 -6.156 3.894 1.00 0.00 N ATOM 350 CA ARG A 23 -7.793 -6.404 5.170 1.00 0.00 C ATOM 351 C ARG A 23 -8.672 -5.223 5.550 1.00 0.00 C ATOM 352 O ARG A 23 -9.546 -5.334 6.408 1.00 0.00 O ATOM 353 CB ARG A 23 -6.794 -6.752 6.289 1.00 0.00 C ATOM 354 CG ARG A 23 -5.747 -5.693 6.610 1.00 0.00 C ATOM 355 CD ARG A 23 -6.275 -4.572 7.479 1.00 0.00 C ATOM 356 NE ARG A 23 -5.178 -3.800 8.052 1.00 0.00 N ATOM 357 CZ ARG A 23 -5.313 -2.609 8.610 1.00 0.00 C ATOM 358 NH1 ARG A 23 -6.456 -1.943 8.524 1.00 0.00 N ATOM 359 NH2 ARG A 23 -4.288 -2.058 9.230 1.00 0.00 N ATOM 0 H ARG A 23 -6.112 -6.054 3.951 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.433 -7.277 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.358 -6.963 7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.278 -7.672 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.904 -6.167 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.368 -5.273 5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.916 -3.918 6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.891 -4.984 8.278 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.243 -4.207 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.246 -2.349 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.545 -1.025 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.396 -2.550 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.387 -1.139 9.662 1.00 0.00 H new ATOM 373 N THR A 24 -8.428 -4.092 4.911 1.00 0.00 N ATOM 374 CA THR A 24 -9.304 -2.950 5.044 1.00 0.00 C ATOM 375 C THR A 24 -10.372 -2.995 3.958 1.00 0.00 C ATOM 376 O THR A 24 -11.556 -3.134 4.249 1.00 0.00 O ATOM 377 CB THR A 24 -8.529 -1.625 4.963 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.446 -1.644 5.900 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.444 -0.445 5.262 1.00 0.00 C ATOM 0 H THR A 24 -7.629 -3.944 4.295 1.00 0.00 H new ATOM 0 HA THR A 24 -9.773 -2.999 6.027 1.00 0.00 H new ATOM 0 HB THR A 24 -8.138 -1.513 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.695 -2.147 5.522 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.874 0.482 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.257 -0.422 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.857 -0.550 6.265 1.00 0.00 H new ATOM 387 N TYR A 25 -9.943 -2.910 2.703 1.00 0.00 N ATOM 388 CA TYR A 25 -10.865 -2.964 1.581 1.00 0.00 C ATOM 389 C TYR A 25 -10.760 -4.321 0.897 1.00 0.00 C ATOM 390 O TYR A 25 -9.985 -4.503 -0.051 1.00 0.00 O ATOM 391 CB TYR A 25 -10.582 -1.840 0.576 1.00 0.00 C ATOM 392 CG TYR A 25 -10.429 -0.463 1.196 1.00 0.00 C ATOM 393 CD1 TYR A 25 -11.137 -0.089 2.333 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.569 0.466 0.631 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.984 1.167 2.885 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.413 1.722 1.179 1.00 0.00 C ATOM 397 CZ TYR A 25 -10.121 2.066 2.302 1.00 0.00 C ATOM 398 OH TYR A 25 -9.960 3.314 2.840 1.00 0.00 O ATOM 0 H TYR A 25 -8.963 -2.804 2.440 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.878 -2.826 1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.671 -2.081 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.393 -1.808 -0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.817 -0.792 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.011 0.201 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.539 1.442 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.736 2.431 0.726 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.051 3.634 2.659 1.00 0.00 H new ATOM 408 N THR A 26 -11.515 -5.275 1.414 1.00 0.00 N ATOM 409 CA THR A 26 -11.451 -6.657 0.959 1.00 0.00 C ATOM 410 C THR A 26 -12.364 -6.908 -0.241 1.00 0.00 C ATOM 411 O THR A 26 -12.758 -5.984 -0.946 1.00 0.00 O ATOM 412 CB THR A 26 -11.871 -7.595 2.102 1.00 0.00 C ATOM 413 OG1 THR A 26 -11.721 -6.916 3.354 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.024 -8.862 2.112 1.00 0.00 C ATOM 0 H THR A 26 -12.191 -5.115 2.161 1.00 0.00 H new ATOM 0 HA THR A 26 -10.423 -6.853 0.654 1.00 0.00 H new ATOM 0 HB THR A 26 -12.913 -7.877 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.811 -6.560 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.343 -9.507 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.147 -9.389 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.975 -8.597 2.246 1.00 0.00 H new ATOM 422 N LYS A 27 -12.664 -8.184 -0.472 1.00 0.00 N ATOM 423 CA LYS A 27 -13.595 -8.604 -1.512 1.00 0.00 C ATOM 424 C LYS A 27 -14.990 -8.050 -1.243 1.00 0.00 C ATOM 425 O LYS A 27 -15.620 -7.458 -2.116 1.00 0.00 O ATOM 426 CB LYS A 27 -13.676 -10.136 -1.553 1.00 0.00 C ATOM 427 CG LYS A 27 -12.683 -10.833 -0.629 1.00 0.00 C ATOM 428 CD LYS A 27 -13.060 -12.290 -0.379 1.00 0.00 C ATOM 429 CE LYS A 27 -13.353 -13.045 -1.667 1.00 0.00 C ATOM 430 NZ LYS A 27 -12.133 -13.336 -2.457 1.00 0.00 N ATOM 0 H LYS A 27 -12.266 -8.958 0.060 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.232 -8.221 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.686 -10.444 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.503 -10.472 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.686 -10.787 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.638 -10.302 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.248 -12.786 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.936 -12.329 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.856 -13.982 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.043 -12.460 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.351 -13.265 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.390 -12.650 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.800 -14.297 -2.241 1.00 0.00 H new ATOM 444 N THR A 28 -15.464 -8.251 -0.021 1.00 0.00 N ATOM 445 CA THR A 28 -16.824 -7.890 0.341 1.00 0.00 C ATOM 446 C THR A 28 -16.852 -6.874 1.486 1.00 0.00 C ATOM 447 O THR A 28 -17.792 -6.087 1.590 1.00 0.00 O ATOM 448 CB THR A 28 -17.625 -9.152 0.740 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.971 -8.814 1.101 1.00 0.00 O ATOM 450 CG2 THR A 28 -16.952 -9.879 1.896 1.00 0.00 C ATOM 0 H THR A 28 -14.922 -8.664 0.738 1.00 0.00 H new ATOM 0 HA THR A 28 -17.285 -7.428 -0.532 1.00 0.00 H new ATOM 0 HB THR A 28 -17.649 -9.812 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.458 -9.628 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.534 -10.763 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.947 -10.181 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.892 -9.215 2.758 1.00 0.00 H new ATOM 458 N GLY A 29 -15.830 -6.912 2.346 1.00 0.00 N ATOM 459 CA GLY A 29 -15.750 -6.017 3.472 1.00 0.00 C ATOM 460 C GLY A 29 -15.923 -4.555 3.103 1.00 0.00 C ATOM 461 O GLY A 29 -16.924 -3.928 3.448 1.00 0.00 O ATOM 0 H GLY A 29 -15.048 -7.563 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.515 -6.292 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.784 -6.147 3.961 1.00 0.00 H new ATOM 465 N LYS A 30 -14.941 -4.020 2.398 1.00 0.00 N ATOM 466 CA LYS A 30 -14.960 -2.635 1.959 1.00 0.00 C ATOM 467 C LYS A 30 -14.506 -2.577 0.504 1.00 0.00 C ATOM 468 O LYS A 30 -13.499 -3.185 0.150 1.00 0.00 O ATOM 469 CB LYS A 30 -14.026 -1.790 2.834 1.00 0.00 C ATOM 470 CG LYS A 30 -14.383 -1.783 4.318 1.00 0.00 C ATOM 471 CD LYS A 30 -15.562 -0.875 4.631 1.00 0.00 C ATOM 472 CE LYS A 30 -15.209 0.590 4.413 1.00 0.00 C ATOM 473 NZ LYS A 30 -16.206 1.503 5.031 1.00 0.00 N ATOM 0 H LYS A 30 -14.107 -4.534 2.113 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.970 -2.235 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.008 -2.161 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.034 -0.764 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.617 -2.799 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.517 -1.459 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.408 -1.145 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.875 -1.026 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.224 0.792 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.147 0.792 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.927 2.490 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.142 1.330 4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.248 1.329 6.056 1.00 0.00 H new ATOM 487 N PRO A 31 -15.250 -1.880 -0.359 1.00 0.00 N ATOM 488 CA PRO A 31 -14.899 -1.758 -1.780 1.00 0.00 C ATOM 489 C PRO A 31 -13.543 -1.080 -1.982 1.00 0.00 C ATOM 490 O PRO A 31 -13.265 -0.051 -1.359 1.00 0.00 O ATOM 491 CB PRO A 31 -16.019 -0.875 -2.354 1.00 0.00 C ATOM 492 CG PRO A 31 -17.136 -0.976 -1.374 1.00 0.00 C ATOM 493 CD PRO A 31 -16.490 -1.162 -0.033 1.00 0.00 C ATOM 0 HA PRO A 31 -14.815 -2.732 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.687 0.157 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.328 -1.222 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.752 -0.077 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.790 -1.815 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.288 -0.208 0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.123 -1.736 0.643 1.00 0.00 H new ATOM 501 N LYS A 32 -12.681 -1.663 -2.824 1.00 0.00 N ATOM 502 CA LYS A 32 -11.457 -0.983 -3.224 1.00 0.00 C ATOM 503 C LYS A 32 -11.839 0.324 -3.922 1.00 0.00 C ATOM 504 O LYS A 32 -12.627 0.320 -4.868 1.00 0.00 O ATOM 505 CB LYS A 32 -10.596 -1.883 -4.123 1.00 0.00 C ATOM 506 CG LYS A 32 -9.268 -1.265 -4.544 1.00 0.00 C ATOM 507 CD LYS A 32 -8.123 -2.247 -4.405 1.00 0.00 C ATOM 508 CE LYS A 32 -7.706 -2.419 -2.951 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.636 -3.277 -2.160 1.00 0.00 N ATOM 0 H LYS A 32 -12.810 -2.589 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.851 -0.756 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.398 -2.818 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.166 -2.134 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.335 -0.929 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.067 -0.384 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.419 -3.212 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.271 -1.899 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.707 -2.854 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.643 -1.437 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.152 -3.616 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.473 -2.723 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.932 -4.091 -2.736 1.00 0.00 H new ATOM 523 N PRO A 33 -11.277 1.446 -3.456 1.00 0.00 N ATOM 524 CA PRO A 33 -11.766 2.792 -3.781 1.00 0.00 C ATOM 525 C PRO A 33 -11.644 3.152 -5.263 1.00 0.00 C ATOM 526 O PRO A 33 -10.791 2.622 -5.975 1.00 0.00 O ATOM 527 CB PRO A 33 -10.888 3.718 -2.918 1.00 0.00 C ATOM 528 CG PRO A 33 -10.137 2.843 -1.998 1.00 0.00 C ATOM 529 CD PRO A 33 -10.080 1.496 -2.619 1.00 0.00 C ATOM 0 HA PRO A 33 -12.833 2.879 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.209 4.300 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.501 4.429 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.133 3.232 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.627 2.797 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.173 1.366 -3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.085 0.708 -1.866 1.00 0.00 H new ATOM 537 N SER A 34 -12.488 4.085 -5.706 1.00 0.00 N ATOM 538 CA SER A 34 -12.527 4.488 -7.114 1.00 0.00 C ATOM 539 C SER A 34 -11.402 5.469 -7.404 1.00 0.00 C ATOM 540 O SER A 34 -11.052 5.728 -8.558 1.00 0.00 O ATOM 541 CB SER A 34 -13.873 5.135 -7.451 1.00 0.00 C ATOM 542 OG SER A 34 -14.950 4.290 -7.082 1.00 0.00 O ATOM 0 H SER A 34 -13.154 4.576 -5.110 1.00 0.00 H new ATOM 0 HA SER A 34 -12.401 3.599 -7.731 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.961 6.090 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.922 5.346 -8.519 1.00 0.00 H new ATOM 0 HG SER A 34 -15.799 4.726 -7.306 1.00 0.00 H new ATOM 548 N THR A 35 -10.858 6.022 -6.337 1.00 0.00 N ATOM 549 CA THR A 35 -9.728 6.928 -6.418 1.00 0.00 C ATOM 550 C THR A 35 -8.848 6.732 -5.196 1.00 0.00 C ATOM 551 O THR A 35 -9.353 6.491 -4.097 1.00 0.00 O ATOM 552 CB THR A 35 -10.179 8.402 -6.493 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.258 8.547 -7.429 1.00 0.00 O ATOM 554 CG2 THR A 35 -9.016 9.282 -6.921 1.00 0.00 C ATOM 0 H THR A 35 -11.188 5.855 -5.386 1.00 0.00 H new ATOM 0 HA THR A 35 -9.176 6.702 -7.330 1.00 0.00 H new ATOM 0 HB THR A 35 -10.521 8.709 -5.505 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.535 9.486 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.344 10.320 -6.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.206 9.192 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.662 8.966 -7.902 1.00 0.00 H new ATOM 562 N TRP A 36 -7.544 6.830 -5.376 1.00 0.00 N ATOM 563 CA TRP A 36 -6.616 6.618 -4.278 1.00 0.00 C ATOM 564 C TRP A 36 -6.694 7.765 -3.265 1.00 0.00 C ATOM 565 O TRP A 36 -6.306 7.610 -2.110 1.00 0.00 O ATOM 566 CB TRP A 36 -5.200 6.408 -4.820 1.00 0.00 C ATOM 567 CG TRP A 36 -4.088 6.630 -3.834 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.188 7.652 -3.855 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.750 5.823 -2.695 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.300 7.527 -2.815 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.626 6.415 -2.088 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.282 4.659 -2.128 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.025 5.886 -0.951 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.681 4.136 -1.000 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.563 4.748 -0.423 1.00 0.00 C ATOM 0 H TRP A 36 -7.103 7.054 -6.268 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.898 5.712 -3.741 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.124 5.390 -5.203 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.051 7.079 -5.666 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.175 8.447 -4.585 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.525 8.159 -2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.146 4.179 -2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.164 6.358 -0.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.082 3.237 -0.555 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.117 4.311 0.458 1.00 0.00 H new ATOM 586 N ASP A 37 -7.242 8.897 -3.693 1.00 0.00 N ATOM 587 CA ASP A 37 -7.402 10.058 -2.813 1.00 0.00 C ATOM 588 C ASP A 37 -8.245 9.723 -1.586 1.00 0.00 C ATOM 589 O ASP A 37 -7.825 9.947 -0.452 1.00 0.00 O ATOM 590 CB ASP A 37 -8.058 11.213 -3.569 1.00 0.00 C ATOM 591 CG ASP A 37 -8.474 12.346 -2.647 1.00 0.00 C ATOM 592 OD1 ASP A 37 -7.587 13.022 -2.087 1.00 0.00 O ATOM 593 OD2 ASP A 37 -9.697 12.567 -2.491 1.00 0.00 O ATOM 0 H ASP A 37 -7.584 9.039 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.406 10.350 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.364 11.594 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.933 10.843 -4.104 1.00 0.00 H new ATOM 598 N LEU A 38 -9.417 9.148 -1.819 1.00 0.00 N ATOM 599 CA LEU A 38 -10.331 8.817 -0.729 1.00 0.00 C ATOM 600 C LEU A 38 -9.792 7.632 0.064 1.00 0.00 C ATOM 601 O LEU A 38 -10.020 7.513 1.273 1.00 0.00 O ATOM 602 CB LEU A 38 -11.745 8.520 -1.257 1.00 0.00 C ATOM 603 CG LEU A 38 -11.827 7.526 -2.423 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.823 6.412 -2.123 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.222 8.248 -3.702 1.00 0.00 C ATOM 0 H LEU A 38 -9.758 8.901 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.401 9.681 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.347 8.135 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.199 9.459 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.842 7.078 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.861 5.722 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.509 5.875 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.811 6.842 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.277 7.532 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.195 8.721 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.478 9.010 -3.935 1.00 0.00 H new ATOM 617 N ALA A 39 -9.042 6.779 -0.627 1.00 0.00 N ATOM 618 CA ALA A 39 -8.461 5.594 -0.017 1.00 0.00 C ATOM 619 C ALA A 39 -7.382 5.977 0.961 1.00 0.00 C ATOM 620 O ALA A 39 -7.422 5.579 2.113 1.00 0.00 O ATOM 621 CB ALA A 39 -7.863 4.696 -1.081 1.00 0.00 C ATOM 0 H ALA A 39 -8.823 6.890 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.254 5.063 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.431 3.812 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.642 4.391 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.085 5.238 -1.619 1.00 0.00 H new ATOM 627 N SER A 40 -6.438 6.776 0.493 1.00 0.00 N ATOM 628 CA SER A 40 -5.326 7.209 1.317 1.00 0.00 C ATOM 629 C SER A 40 -5.800 8.016 2.525 1.00 0.00 C ATOM 630 O SER A 40 -5.222 7.905 3.606 1.00 0.00 O ATOM 631 CB SER A 40 -4.334 8.015 0.487 1.00 0.00 C ATOM 632 OG SER A 40 -4.978 9.049 -0.236 1.00 0.00 O ATOM 0 H SER A 40 -6.421 7.139 -0.460 1.00 0.00 H new ATOM 0 HA SER A 40 -4.825 6.318 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.576 8.445 1.142 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.817 7.353 -0.207 1.00 0.00 H new ATOM 0 HG SER A 40 -5.506 8.659 -0.964 1.00 0.00 H new ATOM 638 N LYS A 41 -6.853 8.815 2.345 1.00 0.00 N ATOM 639 CA LYS A 41 -7.437 9.561 3.459 1.00 0.00 C ATOM 640 C LYS A 41 -7.897 8.600 4.549 1.00 0.00 C ATOM 641 O LYS A 41 -7.584 8.780 5.724 1.00 0.00 O ATOM 642 CB LYS A 41 -8.630 10.399 2.992 1.00 0.00 C ATOM 643 CG LYS A 41 -9.295 11.186 4.115 1.00 0.00 C ATOM 644 CD LYS A 41 -10.602 11.796 3.651 1.00 0.00 C ATOM 645 CE LYS A 41 -11.553 10.721 3.153 1.00 0.00 C ATOM 646 NZ LYS A 41 -12.038 9.846 4.256 1.00 0.00 N ATOM 0 H LYS A 41 -7.315 8.961 1.447 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.671 10.228 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.297 11.093 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.368 9.742 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.478 10.529 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.624 11.973 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.064 12.345 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.410 12.515 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.405 11.191 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.049 10.112 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.689 8.877 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.687 10.207 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.078 9.841 4.264 1.00 0.00 H new ATOM 660 N GLU A 42 -8.623 7.564 4.143 1.00 0.00 N ATOM 661 CA GLU A 42 -9.167 6.597 5.086 1.00 0.00 C ATOM 662 C GLU A 42 -8.079 5.603 5.504 1.00 0.00 C ATOM 663 O GLU A 42 -8.217 4.881 6.490 1.00 0.00 O ATOM 664 CB GLU A 42 -10.340 5.855 4.432 1.00 0.00 C ATOM 665 CG GLU A 42 -11.331 5.245 5.412 1.00 0.00 C ATOM 666 CD GLU A 42 -12.545 6.125 5.639 1.00 0.00 C ATOM 667 OE1 GLU A 42 -12.389 7.363 5.706 1.00 0.00 O ATOM 668 OE2 GLU A 42 -13.666 5.576 5.745 1.00 0.00 O ATOM 0 H GLU A 42 -8.848 7.373 3.167 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.522 7.117 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.873 6.548 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.943 5.063 3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.656 4.274 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.832 5.068 6.365 1.00 0.00 H new ATOM 675 N LEU A 43 -6.988 5.597 4.749 1.00 0.00 N ATOM 676 CA LEU A 43 -5.907 4.644 4.943 1.00 0.00 C ATOM 677 C LEU A 43 -4.868 5.177 5.933 1.00 0.00 C ATOM 678 O LEU A 43 -4.084 4.412 6.492 1.00 0.00 O ATOM 679 CB LEU A 43 -5.228 4.364 3.597 1.00 0.00 C ATOM 680 CG LEU A 43 -4.971 2.894 3.263 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.194 2.219 4.374 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.285 2.176 3.005 1.00 0.00 C ATOM 0 H LEU A 43 -6.829 6.254 3.985 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.330 3.726 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.845 4.792 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.274 4.891 3.578 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.368 2.844 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.022 1.174 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.236 2.722 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.763 2.274 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.088 1.130 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.912 2.235 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.799 2.647 2.167 1.00 0.00 H new ATOM 694 N GLY A 44 -4.868 6.489 6.162 1.00 0.00 N ATOM 695 CA GLY A 44 -3.809 7.100 6.958 1.00 0.00 C ATOM 696 C GLY A 44 -3.844 6.708 8.417 1.00 0.00 C ATOM 697 O GLY A 44 -2.918 7.013 9.176 1.00 0.00 O ATOM 0 H GLY A 44 -5.575 7.137 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.843 6.819 6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.887 8.184 6.880 1.00 0.00 H new ATOM 701 N GLU A 45 -4.907 6.037 8.811 1.00 0.00 N ATOM 702 CA GLU A 45 -5.021 5.521 10.147 1.00 0.00 C ATOM 703 C GLU A 45 -4.230 4.223 10.295 1.00 0.00 C ATOM 704 O GLU A 45 -3.867 3.827 11.404 1.00 0.00 O ATOM 705 CB GLU A 45 -6.490 5.339 10.526 1.00 0.00 C ATOM 706 CG GLU A 45 -7.248 4.353 9.654 1.00 0.00 C ATOM 707 CD GLU A 45 -7.450 3.019 10.337 1.00 0.00 C ATOM 708 OE1 GLU A 45 -8.437 2.878 11.089 1.00 0.00 O ATOM 709 OE2 GLU A 45 -6.623 2.111 10.135 1.00 0.00 O ATOM 0 H GLU A 45 -5.709 5.838 8.213 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.590 6.243 10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.546 5.006 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.988 6.307 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.218 4.775 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.703 4.203 8.722 1.00 0.00 H new ATOM 716 N SER A 46 -3.944 3.573 9.174 1.00 0.00 N ATOM 717 CA SER A 46 -3.089 2.403 9.181 1.00 0.00 C ATOM 718 C SER A 46 -1.734 2.752 8.614 1.00 0.00 C ATOM 719 O SER A 46 -1.579 2.982 7.416 1.00 0.00 O ATOM 720 CB SER A 46 -3.717 1.263 8.399 1.00 0.00 C ATOM 721 OG SER A 46 -4.789 0.683 9.118 1.00 0.00 O ATOM 0 H SER A 46 -4.293 3.839 8.253 1.00 0.00 H new ATOM 0 HA SER A 46 -2.967 2.072 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.076 1.631 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.964 0.504 8.188 1.00 0.00 H new ATOM 0 HG SER A 46 -5.383 1.390 9.447 1.00 0.00 H new ATOM 727 N LEU A 47 -0.752 2.756 9.485 1.00 0.00 N ATOM 728 CA LEU A 47 0.553 3.294 9.175 1.00 0.00 C ATOM 729 C LEU A 47 1.350 2.469 8.163 1.00 0.00 C ATOM 730 O LEU A 47 2.484 2.830 7.879 1.00 0.00 O ATOM 731 CB LEU A 47 1.392 3.550 10.451 1.00 0.00 C ATOM 732 CG LEU A 47 1.178 2.629 11.669 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.168 2.874 12.343 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.323 1.177 11.267 1.00 0.00 C ATOM 0 H LEU A 47 -0.835 2.385 10.432 1.00 0.00 H new ATOM 0 HA LEU A 47 0.348 4.250 8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.444 3.493 10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.203 4.574 10.772 1.00 0.00 H new ATOM 0 HG LEU A 47 1.950 2.869 12.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.275 2.203 13.195 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.221 3.907 12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.971 2.687 11.630 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.169 0.541 12.139 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.582 0.935 10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.323 1.008 10.867 1.00 0.00 H new ATOM 746 N GLU A 48 0.788 1.406 7.562 1.00 0.00 N ATOM 747 CA GLU A 48 1.558 0.707 6.543 1.00 0.00 C ATOM 748 C GLU A 48 1.510 1.528 5.276 1.00 0.00 C ATOM 749 O GLU A 48 2.420 1.484 4.457 1.00 0.00 O ATOM 750 CB GLU A 48 0.961 -0.677 6.237 1.00 0.00 C ATOM 751 CG GLU A 48 1.972 -1.691 5.737 1.00 0.00 C ATOM 752 CD GLU A 48 3.027 -2.009 6.770 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.851 -1.122 7.071 1.00 0.00 O ATOM 754 OE2 GLU A 48 3.043 -3.146 7.286 1.00 0.00 O ATOM 0 H GLU A 48 -0.143 1.035 7.754 1.00 0.00 H new ATOM 0 HA GLU A 48 2.577 0.574 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.489 -1.065 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.175 -0.565 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.454 -2.608 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.452 -1.308 4.837 1.00 0.00 H new ATOM 761 N TYR A 49 0.523 2.414 5.201 1.00 0.00 N ATOM 762 CA TYR A 49 0.456 3.321 4.074 1.00 0.00 C ATOM 763 C TYR A 49 1.334 4.507 4.368 1.00 0.00 C ATOM 764 O TYR A 49 1.746 5.246 3.473 1.00 0.00 O ATOM 765 CB TYR A 49 -1.006 3.748 3.833 1.00 0.00 C ATOM 766 CG TYR A 49 -1.231 5.239 3.711 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.128 5.865 2.481 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.551 6.017 4.817 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.334 7.219 2.351 1.00 0.00 C ATOM 770 CE2 TYR A 49 -1.757 7.378 4.696 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.649 7.972 3.462 1.00 0.00 C ATOM 772 OH TYR A 49 -1.854 9.329 3.337 1.00 0.00 O ATOM 0 H TYR A 49 -0.221 2.519 5.890 1.00 0.00 H new ATOM 0 HA TYR A 49 0.810 2.833 3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.362 3.267 2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.618 3.371 4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.881 5.280 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.640 5.550 5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.249 7.690 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.001 7.971 5.565 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.068 9.710 4.214 1.00 0.00 H new ATOM 782 N LYS A 50 1.656 4.649 5.635 1.00 0.00 N ATOM 783 CA LYS A 50 2.530 5.682 6.068 1.00 0.00 C ATOM 784 C LYS A 50 3.968 5.172 6.101 1.00 0.00 C ATOM 785 O LYS A 50 4.912 5.948 6.237 1.00 0.00 O ATOM 786 CB LYS A 50 2.024 6.128 7.420 1.00 0.00 C ATOM 787 CG LYS A 50 2.547 7.464 7.883 1.00 0.00 C ATOM 788 CD LYS A 50 1.682 8.022 8.999 1.00 0.00 C ATOM 789 CE LYS A 50 0.206 8.050 8.601 1.00 0.00 C ATOM 790 NZ LYS A 50 -0.491 9.243 9.139 1.00 0.00 N ATOM 0 H LYS A 50 1.313 4.045 6.382 1.00 0.00 H new ATOM 0 HA LYS A 50 2.539 6.534 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.935 6.171 7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.292 5.373 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.574 7.357 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.565 8.163 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.807 7.415 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.012 9.031 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.123 8.041 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.285 7.148 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.489 9.224 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.435 9.239 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.039 10.104 8.771 1.00 0.00 H new ATOM 804 N ALA A 51 4.127 3.849 5.957 1.00 0.00 N ATOM 805 CA ALA A 51 5.448 3.235 5.963 1.00 0.00 C ATOM 806 C ALA A 51 5.997 3.253 4.557 1.00 0.00 C ATOM 807 O ALA A 51 7.145 2.897 4.295 1.00 0.00 O ATOM 808 CB ALA A 51 5.382 1.818 6.508 1.00 0.00 C ATOM 0 H ALA A 51 3.356 3.192 5.836 1.00 0.00 H new ATOM 0 HA ALA A 51 6.112 3.800 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.380 1.379 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.000 1.838 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.719 1.219 5.884 1.00 0.00 H new ATOM 814 N LEU A 52 5.133 3.698 3.670 1.00 0.00 N ATOM 815 CA LEU A 52 5.349 3.644 2.246 1.00 0.00 C ATOM 816 C LEU A 52 5.160 5.047 1.669 1.00 0.00 C ATOM 817 O LEU A 52 4.898 5.233 0.480 1.00 0.00 O ATOM 818 CB LEU A 52 4.353 2.631 1.659 1.00 0.00 C ATOM 819 CG LEU A 52 4.389 2.425 0.156 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.776 2.016 -0.292 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.380 1.367 -0.243 1.00 0.00 C ATOM 0 H LEU A 52 4.240 4.117 3.929 1.00 0.00 H new ATOM 0 HA LEU A 52 6.359 3.319 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.527 1.667 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.347 2.946 1.934 1.00 0.00 H new ATOM 0 HG LEU A 52 4.133 3.366 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.782 1.873 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.489 2.796 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.057 1.084 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.411 1.224 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.622 0.428 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.381 1.687 0.052 1.00 0.00 H new ATOM 833 N GLY A 53 5.320 6.038 2.543 1.00 0.00 N ATOM 834 CA GLY A 53 5.129 7.424 2.156 1.00 0.00 C ATOM 835 C GLY A 53 6.245 7.946 1.287 1.00 0.00 C ATOM 836 O GLY A 53 6.036 8.851 0.482 1.00 0.00 O ATOM 0 H GLY A 53 5.581 5.903 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.183 7.521 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.054 8.040 3.052 1.00 0.00 H new ATOM 840 N ASP A 54 7.421 7.360 1.428 1.00 0.00 N ATOM 841 CA ASP A 54 8.591 7.846 0.718 1.00 0.00 C ATOM 842 C ASP A 54 8.520 7.371 -0.720 1.00 0.00 C ATOM 843 O ASP A 54 8.955 8.050 -1.648 1.00 0.00 O ATOM 844 CB ASP A 54 9.873 7.358 1.400 1.00 0.00 C ATOM 845 CG ASP A 54 11.110 8.079 0.899 1.00 0.00 C ATOM 846 OD1 ASP A 54 11.059 9.317 0.758 1.00 0.00 O ATOM 847 OD2 ASP A 54 12.147 7.420 0.688 1.00 0.00 O ATOM 0 H ASP A 54 7.591 6.551 2.025 1.00 0.00 H new ATOM 0 HA ASP A 54 8.609 8.936 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.785 7.501 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.986 6.287 1.229 1.00 0.00 H new ATOM 852 N GLU A 55 7.904 6.214 -0.894 1.00 0.00 N ATOM 853 CA GLU A 55 7.641 5.670 -2.214 1.00 0.00 C ATOM 854 C GLU A 55 6.195 5.961 -2.580 1.00 0.00 C ATOM 855 O GLU A 55 5.383 5.053 -2.763 1.00 0.00 O ATOM 856 CB GLU A 55 7.940 4.166 -2.266 1.00 0.00 C ATOM 857 CG GLU A 55 9.415 3.829 -2.093 1.00 0.00 C ATOM 858 CD GLU A 55 10.296 4.585 -3.068 1.00 0.00 C ATOM 859 OE1 GLU A 55 10.138 4.397 -4.293 1.00 0.00 O ATOM 860 OE2 GLU A 55 11.126 5.394 -2.623 1.00 0.00 O ATOM 0 H GLU A 55 7.574 5.628 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 55 8.300 6.144 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.368 3.664 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.595 3.769 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.722 4.062 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.559 2.758 -2.232 1.00 0.00 H new ATOM 867 N ASP A 56 5.886 7.251 -2.683 1.00 0.00 N ATOM 868 CA ASP A 56 4.511 7.711 -2.807 1.00 0.00 C ATOM 869 C ASP A 56 3.865 7.201 -4.078 1.00 0.00 C ATOM 870 O ASP A 56 2.751 6.686 -4.036 1.00 0.00 O ATOM 871 CB ASP A 56 4.424 9.245 -2.766 1.00 0.00 C ATOM 872 CG ASP A 56 4.907 9.920 -4.041 1.00 0.00 C ATOM 873 OD1 ASP A 56 6.136 9.994 -4.246 1.00 0.00 O ATOM 874 OD2 ASP A 56 4.058 10.374 -4.840 1.00 0.00 O ATOM 0 H ASP A 56 6.578 8.000 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 56 3.969 7.306 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.390 9.536 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.014 9.611 -1.926 1.00 0.00 H new ATOM 879 N ASN A 57 4.578 7.300 -5.197 1.00 0.00 N ATOM 880 CA ASN A 57 4.010 6.931 -6.482 1.00 0.00 C ATOM 881 C ASN A 57 3.923 5.425 -6.587 1.00 0.00 C ATOM 882 O ASN A 57 3.056 4.894 -7.280 1.00 0.00 O ATOM 883 CB ASN A 57 4.820 7.519 -7.657 1.00 0.00 C ATOM 884 CG ASN A 57 6.305 7.668 -7.357 1.00 0.00 C ATOM 885 OD1 ASN A 57 6.978 8.535 -7.910 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.827 6.813 -6.493 1.00 0.00 N ATOM 0 H ASN A 57 5.542 7.630 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 57 3.007 7.353 -6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.696 6.878 -8.530 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.410 8.495 -7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.820 6.860 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.236 6.107 -6.054 1.00 0.00 H new ATOM 893 N ILE A 58 4.790 4.732 -5.856 1.00 0.00 N ATOM 894 CA ILE A 58 4.708 3.295 -5.790 1.00 0.00 C ATOM 895 C ILE A 58 3.429 2.934 -5.064 1.00 0.00 C ATOM 896 O ILE A 58 2.572 2.248 -5.602 1.00 0.00 O ATOM 897 CB ILE A 58 5.921 2.675 -5.047 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.135 2.527 -5.970 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.567 1.318 -4.449 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.651 3.822 -6.545 1.00 0.00 C ATOM 0 H ILE A 58 5.546 5.145 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 58 4.715 2.896 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 58 6.180 3.362 -4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.940 2.046 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.871 1.860 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.437 0.909 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.748 1.436 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.263 0.638 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.510 3.619 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.866 4.298 -7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.951 4.486 -5.734 1.00 0.00 H new ATOM 912 N ARG A 59 3.283 3.515 -3.880 1.00 0.00 N ATOM 913 CA ARG A 59 2.161 3.252 -2.993 1.00 0.00 C ATOM 914 C ARG A 59 0.813 3.405 -3.709 1.00 0.00 C ATOM 915 O ARG A 59 -0.028 2.500 -3.670 1.00 0.00 O ATOM 916 CB ARG A 59 2.251 4.219 -1.817 1.00 0.00 C ATOM 917 CG ARG A 59 1.078 4.153 -0.865 1.00 0.00 C ATOM 918 CD ARG A 59 1.131 5.247 0.170 1.00 0.00 C ATOM 919 NE ARG A 59 2.195 6.225 -0.079 1.00 0.00 N ATOM 920 CZ ARG A 59 2.009 7.543 -0.026 1.00 0.00 C ATOM 921 NH1 ARG A 59 0.799 8.037 0.198 1.00 0.00 N ATOM 922 NH2 ARG A 59 3.030 8.364 -0.206 1.00 0.00 N ATOM 0 H ARG A 59 3.950 4.190 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 59 2.215 2.219 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.166 4.013 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.334 5.235 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.148 4.231 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.068 3.183 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.171 5.762 0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.279 4.801 1.154 1.00 0.00 H new ATOM 0 HE ARG A 59 3.127 5.878 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.008 7.407 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.660 9.047 0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.961 7.988 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.886 9.373 -0.165 1.00 0.00 H new ATOM 936 N ARG A 60 0.623 4.542 -4.382 1.00 0.00 N ATOM 937 CA ARG A 60 -0.621 4.809 -5.094 1.00 0.00 C ATOM 938 C ARG A 60 -0.827 3.805 -6.225 1.00 0.00 C ATOM 939 O ARG A 60 -1.924 3.281 -6.409 1.00 0.00 O ATOM 940 CB ARG A 60 -0.610 6.238 -5.650 1.00 0.00 C ATOM 941 CG ARG A 60 0.763 6.671 -6.128 1.00 0.00 C ATOM 942 CD ARG A 60 0.756 7.990 -6.877 1.00 0.00 C ATOM 943 NE ARG A 60 -0.566 8.342 -7.381 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.057 9.570 -7.374 1.00 0.00 C ATOM 945 NH1 ARG A 60 -0.351 10.581 -6.872 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.257 9.786 -7.867 1.00 0.00 N ATOM 0 H ARG A 60 1.315 5.289 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.449 4.705 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.316 6.307 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.955 6.926 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.428 6.754 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.174 5.897 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.111 8.781 -6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.456 7.934 -7.711 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.148 7.596 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.579 10.413 -6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.740 11.524 -6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.798 9.011 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.646 10.729 -7.867 1.00 0.00 H new ATOM 960 N GLN A 61 0.243 3.511 -6.953 1.00 0.00 N ATOM 961 CA GLN A 61 0.145 2.669 -8.131 1.00 0.00 C ATOM 962 C GLN A 61 -0.089 1.201 -7.786 1.00 0.00 C ATOM 963 O GLN A 61 -0.790 0.508 -8.523 1.00 0.00 O ATOM 964 CB GLN A 61 1.382 2.826 -9.015 1.00 0.00 C ATOM 965 CG GLN A 61 1.254 4.012 -9.947 1.00 0.00 C ATOM 966 CD GLN A 61 -0.035 3.927 -10.732 1.00 0.00 C ATOM 967 OE1 GLN A 61 -0.068 3.419 -11.851 1.00 0.00 O ATOM 968 NE2 GLN A 61 -1.114 4.384 -10.121 1.00 0.00 N ATOM 0 H GLN A 61 1.185 3.844 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.730 3.006 -8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.265 2.949 -8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.530 1.918 -9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.277 4.938 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.103 4.039 -10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.037 4.798 -9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.024 4.323 -10.579 1.00 0.00 H new ATOM 977 N ILE A 62 0.502 0.706 -6.693 1.00 0.00 N ATOM 978 CA ILE A 62 0.214 -0.666 -6.274 1.00 0.00 C ATOM 979 C ILE A 62 -1.251 -0.772 -5.903 1.00 0.00 C ATOM 980 O ILE A 62 -1.937 -1.681 -6.348 1.00 0.00 O ATOM 981 CB ILE A 62 1.027 -1.186 -5.062 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.267 -0.373 -4.788 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.433 -2.628 -5.293 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.767 -0.528 -3.369 1.00 0.00 C ATOM 0 H ILE A 62 1.159 1.215 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 62 0.497 -1.280 -7.129 1.00 0.00 H new ATOM 0 HB ILE A 62 0.375 -1.098 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.053 -0.673 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.057 0.679 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.004 -2.987 -4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.541 -3.242 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.046 -2.694 -6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.661 0.080 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.994 -0.201 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.007 -1.574 -3.180 1.00 0.00 H new ATOM 996 N PHE A 63 -1.730 0.188 -5.112 1.00 0.00 N ATOM 997 CA PHE A 63 -3.104 0.165 -4.628 1.00 0.00 C ATOM 998 C PHE A 63 -4.082 0.023 -5.781 1.00 0.00 C ATOM 999 O PHE A 63 -4.968 -0.838 -5.775 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.399 1.438 -3.849 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.837 1.861 -3.918 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.799 1.164 -3.214 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.234 2.937 -4.706 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.121 1.526 -3.287 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.561 3.296 -4.785 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.502 2.590 -4.076 1.00 0.00 C ATOM 0 H PHE A 63 -1.185 0.989 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.223 -0.696 -3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.122 1.289 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.773 2.243 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.508 0.325 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.495 3.496 -5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.863 0.977 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.861 4.130 -5.402 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.543 2.869 -4.137 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.892 0.877 -6.760 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.723 0.892 -7.945 1.00 0.00 C ATOM 1018 C GLU A 64 -4.610 -0.437 -8.686 1.00 0.00 C ATOM 1019 O GLU A 64 -5.596 -0.972 -9.190 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.303 2.058 -8.849 1.00 0.00 C ATOM 1021 CG GLU A 64 -4.657 3.431 -8.290 1.00 0.00 C ATOM 1022 CD GLU A 64 -4.005 4.568 -9.057 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -4.127 4.605 -10.299 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -3.354 5.425 -8.419 1.00 0.00 O ATOM 0 H GLU A 64 -3.156 1.583 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.765 1.029 -7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.226 2.009 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.778 1.939 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.739 3.558 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.351 3.482 -7.245 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.400 -0.976 -8.706 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.096 -2.209 -9.426 1.00 0.00 C ATOM 1033 C ASP A 65 -3.482 -3.455 -8.616 1.00 0.00 C ATOM 1034 O ASP A 65 -3.453 -4.565 -9.143 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.599 -2.247 -9.760 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.256 -3.181 -10.906 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.033 -4.386 -10.663 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -1.182 -2.702 -12.057 1.00 0.00 O ATOM 0 H ASP A 65 -2.598 -0.572 -8.223 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.685 -2.219 -10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.265 -1.240 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.045 -2.555 -8.873 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.851 -3.270 -7.340 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.986 -4.386 -6.401 1.00 0.00 C ATOM 1045 C PHE A 66 -4.956 -5.458 -6.874 1.00 0.00 C ATOM 1046 O PHE A 66 -4.609 -6.637 -6.935 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.461 -3.866 -5.047 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.373 -3.410 -4.118 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -2.069 -3.846 -4.270 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.676 -2.569 -3.061 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -1.087 -3.439 -3.389 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.700 -2.164 -2.175 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.402 -2.599 -2.341 1.00 0.00 C ATOM 0 H PHE A 66 -4.061 -2.357 -6.937 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.000 -4.844 -6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.145 -3.034 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.031 -4.653 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.817 -4.510 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.691 -2.225 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.070 -3.779 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.951 -1.509 -1.354 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.633 -2.283 -1.652 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.160 -5.022 -7.206 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.245 -5.899 -7.646 1.00 0.00 C ATOM 1065 C LYS A 67 -7.724 -6.801 -6.520 1.00 0.00 C ATOM 1066 O LYS A 67 -7.032 -7.724 -6.102 1.00 0.00 O ATOM 1067 CB LYS A 67 -6.844 -6.744 -8.867 1.00 0.00 C ATOM 1068 CG LYS A 67 -6.209 -5.951 -9.998 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.086 -4.791 -10.436 1.00 0.00 C ATOM 1070 CE LYS A 67 -7.502 -4.929 -11.888 1.00 0.00 C ATOM 1071 NZ LYS A 67 -8.327 -3.782 -12.347 1.00 0.00 N ATOM 0 H LYS A 67 -6.420 -4.036 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.068 -5.249 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.146 -7.517 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.729 -7.252 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.239 -5.572 -9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.028 -6.610 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.973 -4.745 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.548 -3.853 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.613 -5.008 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.065 -5.854 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.588 -3.919 -13.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.189 -3.721 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.782 -2.902 -12.250 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.928 -6.511 -6.016 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.574 -7.274 -4.936 1.00 0.00 C ATOM 1087 C PRO A 68 -9.847 -8.735 -5.298 1.00 0.00 C ATOM 1088 O PRO A 68 -9.168 -9.318 -6.140 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.899 -6.532 -4.720 1.00 0.00 C ATOM 1090 CG PRO A 68 -10.683 -5.181 -5.308 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.757 -5.386 -6.461 1.00 0.00 C ATOM 0 HA PRO A 68 -8.934 -7.324 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.725 -7.048 -5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.147 -6.467 -3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.625 -4.741 -5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.251 -4.499 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.298 -5.620 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.159 -4.497 -6.662 1.00 0.00 H new ATOM 1099 N GLU A 69 -10.871 -9.295 -4.656 1.00 0.00 N ATOM 1100 CA GLU A 69 -11.193 -10.712 -4.743 1.00 0.00 C ATOM 1101 C GLU A 69 -10.156 -11.511 -3.958 1.00 0.00 C ATOM 1102 O GLU A 69 -10.255 -11.517 -2.711 1.00 0.00 O ATOM 1103 CB GLU A 69 -11.292 -11.200 -6.200 1.00 0.00 C ATOM 1104 CG GLU A 69 -11.944 -12.568 -6.350 1.00 0.00 C ATOM 1105 CD GLU A 69 -13.387 -12.575 -5.886 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -14.265 -12.147 -6.662 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -13.651 -13.024 -4.749 1.00 0.00 O ATOM 1108 OXT GLU A 69 -9.263 -12.123 -4.572 1.00 0.00 O ATOM 0 H GLU A 69 -11.505 -8.769 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.178 -10.869 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.861 -10.472 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.291 -11.237 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.900 -12.876 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.378 -13.302 -5.777 1.00 0.00 H new TER 1115 GLU A 69