USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 17 GLN : amide:sc= -0.208 K(o=-2.8,f=-27!) USER MOD Set 1.2: A 32 ASN : amide:sc= -0.868! C(o=-2.8!,f=-12!) USER MOD Set 1.3: A 36 LYS NZ :NH3+ 151:sc= -1.75! (180deg=-2.47!) USER MOD Set 2.1: A 29 GLN : amide:sc= -2.04! C(o=-1!,f=-17!) USER MOD Set 2.2: A 30 THR OG1 : rot 47:sc= 1.04 USER MOD Set 3.1: A 16 SER OG : rot -119:sc= 0.828 USER MOD Set 3.2: A 18 SER OG : rot 120:sc= 2.15 USER MOD Set 4.1: A 13 LYS NZ :NH3+ -130:sc= -0.198! (180deg=-5.59!) USER MOD Set 4.2: A 55 THR OG1 : rot 170:sc= -0.654! USER MOD Set 5.1: A 7 LYS NZ :NH3+ 173:sc= 0.633! (180deg=0) USER MOD Set 5.2: A 40 ASN : amide:sc= -0.821! C(o=-0.19!,f=-23!) USER MOD Single : A 1 MET CE :methyl -126:sc= -0.0764 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.746 (180deg=-2.73!) USER MOD Single : A 4 ASN : amide:sc= -5.67! C(o=-5.7!,f=-12!) USER MOD Single : A 5 ASN : amide:sc= -1.5! X(o=-1.5!,f=-1.4) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= 0.361 (180deg=-2.57!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.108 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.183 (180deg=-0.88) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00476 X(o=-0.0048,f=-0.057) USER MOD Single : A 62 GLN : amide:sc= 1.09 K(o=1.1,f=-0.22) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0833 F(o=-1.2!,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.552 11.442 6.524 1.00 0.00 N ATOM 2 CA MET A 1 8.255 10.877 6.887 1.00 0.00 C ATOM 3 C MET A 1 7.894 9.738 5.954 1.00 0.00 C ATOM 4 O MET A 1 8.601 9.483 4.978 1.00 0.00 O ATOM 5 CB MET A 1 7.158 11.949 6.831 1.00 0.00 C ATOM 6 CG MET A 1 7.322 12.801 5.567 1.00 0.00 C ATOM 7 SD MET A 1 5.744 13.598 5.173 1.00 0.00 S ATOM 8 CE MET A 1 4.965 12.191 4.343 1.00 0.00 C ATOM 0 H1 MET A 1 9.533 12.473 6.662 1.00 0.00 H new ATOM 0 H2 MET A 1 10.292 11.026 7.124 1.00 0.00 H new ATOM 0 H3 MET A 1 9.756 11.230 5.526 1.00 0.00 H new ATOM 0 HA MET A 1 8.328 10.499 7.907 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.176 11.477 6.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.212 12.583 7.716 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.095 13.554 5.720 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.646 12.177 4.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.623 12.496 3.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.688 11.381 4.244 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.114 11.848 4.931 1.00 0.00 H new ATOM 18 N ILE A 2 6.767 9.107 6.213 1.00 0.00 N ATOM 19 CA ILE A 2 6.298 8.031 5.366 1.00 0.00 C ATOM 20 C ILE A 2 5.362 8.586 4.307 1.00 0.00 C ATOM 21 O ILE A 2 4.346 9.205 4.633 1.00 0.00 O ATOM 22 CB ILE A 2 5.560 6.978 6.211 1.00 0.00 C ATOM 23 CG1 ILE A 2 6.515 6.397 7.253 1.00 0.00 C ATOM 24 CG2 ILE A 2 5.055 5.843 5.307 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.733 5.529 8.238 1.00 0.00 C ATOM 0 H ILE A 2 6.159 9.321 7.004 1.00 0.00 H new ATOM 0 HA ILE A 2 7.154 7.560 4.882 1.00 0.00 H new ATOM 0 HB ILE A 2 4.714 7.452 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.287 5.803 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.022 7.202 7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.534 5.101 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.371 6.249 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.901 5.373 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.416 5.116 8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.978 6.136 8.738 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.247 4.716 7.700 1.00 0.00 H new ATOM 37 N ILE A 3 5.661 8.307 3.054 1.00 0.00 N ATOM 38 CA ILE A 3 4.798 8.709 1.961 1.00 0.00 C ATOM 39 C ILE A 3 3.949 7.517 1.545 1.00 0.00 C ATOM 40 O ILE A 3 4.465 6.407 1.393 1.00 0.00 O ATOM 41 CB ILE A 3 5.636 9.229 0.778 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.772 8.233 0.444 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.238 10.595 1.135 1.00 0.00 C ATOM 44 CD1 ILE A 3 7.992 8.479 1.345 1.00 0.00 C ATOM 0 H ILE A 3 6.499 7.801 2.767 1.00 0.00 H new ATOM 0 HA ILE A 3 4.146 9.520 2.284 1.00 0.00 H new ATOM 0 HB ILE A 3 4.989 9.330 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.417 7.211 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.059 8.339 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.831 10.962 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.436 11.301 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.876 10.493 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.779 7.768 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.358 9.494 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.706 8.349 2.389 1.00 0.00 H new ATOM 56 N ASN A 4 2.647 7.711 1.454 1.00 0.00 N ATOM 57 CA ASN A 4 1.740 6.599 1.180 1.00 0.00 C ATOM 58 C ASN A 4 1.897 6.070 -0.246 1.00 0.00 C ATOM 59 O ASN A 4 0.930 5.635 -0.870 1.00 0.00 O ATOM 60 CB ASN A 4 0.289 6.988 1.460 1.00 0.00 C ATOM 61 CG ASN A 4 -0.484 5.764 1.937 1.00 0.00 C ATOM 62 OD1 ASN A 4 -0.940 4.959 1.124 1.00 0.00 O ATOM 63 ND2 ASN A 4 -0.648 5.565 3.210 1.00 0.00 N ATOM 0 H ASN A 4 2.191 8.617 1.564 1.00 0.00 H new ATOM 0 HA ASN A 4 2.013 5.790 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.251 7.772 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.170 7.392 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.154 4.742 3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.270 6.232 3.883 1.00 0.00 H new ATOM 70 N ASN A 5 3.139 5.997 -0.704 1.00 0.00 N ATOM 71 CA ASN A 5 3.448 5.437 -2.019 1.00 0.00 C ATOM 72 C ASN A 5 3.083 3.962 -2.062 1.00 0.00 C ATOM 73 O ASN A 5 3.062 3.344 -3.119 1.00 0.00 O ATOM 74 CB ASN A 5 4.940 5.614 -2.346 1.00 0.00 C ATOM 75 CG ASN A 5 5.138 5.678 -3.855 1.00 0.00 C ATOM 76 OD1 ASN A 5 4.989 4.675 -4.544 1.00 0.00 O ATOM 77 ND2 ASN A 5 5.469 6.796 -4.413 1.00 0.00 N ATOM 0 H ASN A 5 3.955 6.319 -0.184 1.00 0.00 H new ATOM 0 HA ASN A 5 2.860 5.972 -2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.317 6.526 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.513 4.785 -1.930 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.605 6.841 -5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.594 7.633 -3.843 1.00 0.00 H new ATOM 84 N LEU A 6 2.784 3.406 -0.901 1.00 0.00 N ATOM 85 CA LEU A 6 2.464 1.990 -0.789 1.00 0.00 C ATOM 86 C LEU A 6 1.257 1.649 -1.653 1.00 0.00 C ATOM 87 O LEU A 6 1.255 0.635 -2.355 1.00 0.00 O ATOM 88 CB LEU A 6 2.195 1.623 0.687 1.00 0.00 C ATOM 89 CG LEU A 6 1.917 0.111 0.851 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.468 -0.216 0.463 1.00 0.00 C ATOM 91 CD2 LEU A 6 2.885 -0.717 -0.010 1.00 0.00 C ATOM 0 H LEU A 6 2.756 3.915 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 6 3.315 1.408 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.054 1.905 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.342 2.193 1.056 1.00 0.00 H new ATOM 0 HG LEU A 6 2.070 -0.147 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.291 -1.285 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.215 0.340 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.298 0.064 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.672 -1.778 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.760 -0.448 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.911 -0.513 0.297 1.00 0.00 H new ATOM 103 N LYS A 7 0.256 2.515 -1.649 1.00 0.00 N ATOM 104 CA LYS A 7 -0.922 2.279 -2.470 1.00 0.00 C ATOM 105 C LYS A 7 -0.520 2.158 -3.933 1.00 0.00 C ATOM 106 O LYS A 7 -1.045 1.315 -4.664 1.00 0.00 O ATOM 107 CB LYS A 7 -1.970 3.388 -2.264 1.00 0.00 C ATOM 108 CG LYS A 7 -1.471 4.725 -2.838 1.00 0.00 C ATOM 109 CD LYS A 7 -2.474 5.843 -2.501 1.00 0.00 C ATOM 110 CE LYS A 7 -2.333 6.215 -1.016 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.032 7.496 -0.732 1.00 0.00 N ATOM 0 H LYS A 7 0.233 3.373 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.382 1.340 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.905 3.106 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.183 3.500 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.491 4.966 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.351 4.645 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.288 6.716 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.491 5.511 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.749 5.421 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.278 6.304 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.029 7.673 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.543 8.274 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.014 7.438 -1.071 1.00 0.00 H new ATOM 125 N LEU A 8 0.463 2.954 -4.336 1.00 0.00 N ATOM 126 CA LEU A 8 0.993 2.886 -5.693 1.00 0.00 C ATOM 127 C LEU A 8 1.650 1.534 -5.957 1.00 0.00 C ATOM 128 O LEU A 8 1.524 0.975 -7.040 1.00 0.00 O ATOM 129 CB LEU A 8 1.994 4.017 -5.963 1.00 0.00 C ATOM 130 CG LEU A 8 1.271 5.373 -5.958 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.285 6.498 -6.138 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.242 5.425 -7.091 1.00 0.00 C ATOM 0 H LEU A 8 0.909 3.654 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 8 0.150 3.006 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.776 4.010 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.482 3.860 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 8 0.758 5.496 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.768 7.458 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.007 6.471 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.806 6.370 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.265 6.390 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.747 5.293 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.490 4.629 -6.954 1.00 0.00 H new ATOM 144 N ILE A 9 2.367 1.027 -4.972 1.00 0.00 N ATOM 145 CA ILE A 9 3.082 -0.245 -5.112 1.00 0.00 C ATOM 146 C ILE A 9 2.115 -1.391 -5.419 1.00 0.00 C ATOM 147 O ILE A 9 2.516 -2.438 -5.946 1.00 0.00 O ATOM 148 CB ILE A 9 3.894 -0.552 -3.836 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.835 0.620 -3.518 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.731 -1.821 -4.034 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.809 0.844 -4.682 1.00 0.00 C ATOM 0 H ILE A 9 2.475 1.472 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 9 3.772 -0.152 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 9 3.197 -0.700 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.254 1.525 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.390 0.413 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.299 -2.027 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.072 -2.662 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.418 -1.677 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.472 1.677 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.401 -0.058 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.247 1.072 -5.588 1.00 0.00 H new ATOM 163 N ARG A 10 0.861 -1.220 -5.052 1.00 0.00 N ATOM 164 CA ARG A 10 -0.117 -2.286 -5.213 1.00 0.00 C ATOM 165 C ARG A 10 -0.261 -2.734 -6.658 1.00 0.00 C ATOM 166 O ARG A 10 -0.397 -3.928 -6.913 1.00 0.00 O ATOM 167 CB ARG A 10 -1.471 -1.863 -4.686 1.00 0.00 C ATOM 168 CG ARG A 10 -1.459 -1.800 -3.156 1.00 0.00 C ATOM 169 CD ARG A 10 -2.805 -1.251 -2.707 1.00 0.00 C ATOM 170 NE ARG A 10 -3.866 -1.880 -3.498 1.00 0.00 N ATOM 171 CZ ARG A 10 -4.878 -1.167 -3.996 1.00 0.00 C ATOM 172 NH1 ARG A 10 -5.009 0.089 -3.663 1.00 0.00 N ATOM 173 NH2 ARG A 10 -5.733 -1.725 -4.802 1.00 0.00 N ATOM 0 H ARG A 10 0.493 -0.361 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 10 0.257 -3.130 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.737 -0.888 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.233 -2.567 -5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.289 -2.790 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.649 -1.161 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.958 -1.451 -1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.832 -0.169 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.830 -2.884 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.340 0.520 -3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.781 0.639 -4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.630 -2.708 -5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.506 -1.179 -5.182 1.00 0.00 H new ATOM 187 N GLU A 11 -0.253 -1.803 -7.604 1.00 0.00 N ATOM 188 CA GLU A 11 -0.396 -2.200 -9.001 1.00 0.00 C ATOM 189 C GLU A 11 0.764 -3.093 -9.401 1.00 0.00 C ATOM 190 O GLU A 11 0.583 -4.108 -10.076 1.00 0.00 O ATOM 191 CB GLU A 11 -0.486 -0.982 -9.940 1.00 0.00 C ATOM 192 CG GLU A 11 0.850 -0.229 -9.979 1.00 0.00 C ATOM 193 CD GLU A 11 0.748 0.950 -10.920 1.00 0.00 C ATOM 194 OE1 GLU A 11 0.132 1.931 -10.551 1.00 0.00 O ATOM 195 OE2 GLU A 11 1.275 0.860 -12.000 1.00 0.00 O ATOM 0 H GLU A 11 -0.153 -0.801 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.331 -2.752 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.754 -1.310 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.277 -0.313 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.113 0.115 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.646 -0.899 -10.306 1.00 0.00 H new ATOM 202 N LYS A 12 1.953 -2.732 -8.938 1.00 0.00 N ATOM 203 CA LYS A 12 3.144 -3.510 -9.217 1.00 0.00 C ATOM 204 C LYS A 12 3.025 -4.895 -8.606 1.00 0.00 C ATOM 205 O LYS A 12 3.360 -5.896 -9.240 1.00 0.00 O ATOM 206 CB LYS A 12 4.385 -2.798 -8.674 1.00 0.00 C ATOM 207 CG LYS A 12 4.616 -1.531 -9.494 1.00 0.00 C ATOM 208 CD LYS A 12 5.867 -0.809 -9.005 1.00 0.00 C ATOM 209 CE LYS A 12 6.072 0.429 -9.872 1.00 0.00 C ATOM 210 NZ LYS A 12 7.302 1.152 -9.450 1.00 0.00 N ATOM 0 H LYS A 12 2.115 -1.903 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 12 3.245 -3.612 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.248 -2.548 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.254 -3.453 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.723 -1.786 -10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.751 -0.873 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.758 -0.526 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.735 -1.466 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.153 0.139 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.207 1.088 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.432 1.994 -10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.209 1.444 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.125 0.525 -9.552 1.00 0.00 H new ATOM 224 N LYS A 13 2.508 -4.952 -7.389 1.00 0.00 N ATOM 225 CA LYS A 13 2.303 -6.225 -6.709 1.00 0.00 C ATOM 226 C LYS A 13 0.980 -6.862 -7.116 1.00 0.00 C ATOM 227 O LYS A 13 0.717 -8.017 -6.782 1.00 0.00 O ATOM 228 CB LYS A 13 2.399 -6.060 -5.187 1.00 0.00 C ATOM 229 CG LYS A 13 2.707 -7.426 -4.539 1.00 0.00 C ATOM 230 CD LYS A 13 3.944 -7.312 -3.641 1.00 0.00 C ATOM 231 CE LYS A 13 5.210 -7.504 -4.494 1.00 0.00 C ATOM 232 NZ LYS A 13 6.308 -6.661 -3.966 1.00 0.00 N ATOM 0 H LYS A 13 2.222 -4.134 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 13 3.101 -6.900 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.181 -5.343 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.463 -5.662 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.851 -7.761 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.877 -8.175 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.965 -6.338 -3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.906 -8.063 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.509 -8.552 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.004 -7.240 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.731 -6.115 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.931 -6.008 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.034 -7.267 -3.534 1.00 0.00 H new ATOM 246 N LYS A 14 0.168 -6.100 -7.842 1.00 0.00 N ATOM 247 CA LYS A 14 -1.142 -6.540 -8.336 1.00 0.00 C ATOM 248 C LYS A 14 -2.015 -7.155 -7.239 1.00 0.00 C ATOM 249 O LYS A 14 -2.575 -8.244 -7.409 1.00 0.00 O ATOM 250 CB LYS A 14 -1.012 -7.469 -9.573 1.00 0.00 C ATOM 251 CG LYS A 14 -0.428 -8.839 -9.183 1.00 0.00 C ATOM 252 CD LYS A 14 1.048 -8.923 -9.600 1.00 0.00 C ATOM 253 CE LYS A 14 1.671 -10.191 -9.004 1.00 0.00 C ATOM 254 NZ LYS A 14 1.517 -10.167 -7.524 1.00 0.00 N ATOM 0 H LYS A 14 0.401 -5.144 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.663 -5.641 -8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.991 -7.606 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.373 -6.998 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.519 -8.989 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.996 -9.635 -9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.131 -8.940 -10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.587 -8.041 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.187 -11.076 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.726 -10.251 -9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.308 -10.679 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.515 -9.182 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.620 -10.623 -7.261 1.00 0.00 H new ATOM 268 N ILE A 15 -2.151 -6.442 -6.124 1.00 0.00 N ATOM 269 CA ILE A 15 -2.995 -6.902 -5.021 1.00 0.00 C ATOM 270 C ILE A 15 -4.016 -5.835 -4.585 1.00 0.00 C ATOM 271 O ILE A 15 -3.652 -4.684 -4.281 1.00 0.00 O ATOM 272 CB ILE A 15 -2.135 -7.381 -3.833 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.166 -6.278 -3.393 1.00 0.00 C ATOM 274 CG2 ILE A 15 -1.333 -8.627 -4.227 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.423 -6.736 -2.134 1.00 0.00 C ATOM 0 H ILE A 15 -1.690 -5.547 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.570 -7.753 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.803 -7.624 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.456 -6.061 -4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.712 -5.356 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.730 -8.955 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.018 -9.424 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.680 -8.389 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.268 -5.956 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.142 -6.931 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.134 -7.647 -2.351 1.00 0.00 H new ATOM 287 N SER A 16 -5.288 -6.233 -4.534 1.00 0.00 N ATOM 288 CA SER A 16 -6.367 -5.345 -4.115 1.00 0.00 C ATOM 289 C SER A 16 -6.323 -5.125 -2.605 1.00 0.00 C ATOM 290 O SER A 16 -5.894 -5.997 -1.850 1.00 0.00 O ATOM 291 CB SER A 16 -7.740 -5.916 -4.552 1.00 0.00 C ATOM 292 OG SER A 16 -8.811 -5.092 -4.066 1.00 0.00 O ATOM 0 H SER A 16 -5.595 -7.174 -4.781 1.00 0.00 H new ATOM 0 HA SER A 16 -6.231 -4.379 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.785 -5.975 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.855 -6.931 -4.172 1.00 0.00 H new ATOM 0 HG SER A 16 -9.384 -5.618 -3.470 1.00 0.00 H new ATOM 298 N GLN A 17 -6.830 -3.981 -2.170 1.00 0.00 N ATOM 299 CA GLN A 17 -6.892 -3.639 -0.752 1.00 0.00 C ATOM 300 C GLN A 17 -7.661 -4.725 -0.020 1.00 0.00 C ATOM 301 O GLN A 17 -7.355 -5.076 1.126 1.00 0.00 O ATOM 302 CB GLN A 17 -7.646 -2.314 -0.596 1.00 0.00 C ATOM 303 CG GLN A 17 -6.853 -1.177 -1.245 1.00 0.00 C ATOM 304 CD GLN A 17 -7.673 0.106 -1.219 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.256 0.453 -0.192 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.775 0.826 -2.291 1.00 0.00 N ATOM 0 H GLN A 17 -7.210 -3.263 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.885 -3.550 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.631 -2.391 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.805 -2.100 0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.912 -1.029 -0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.602 -1.438 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.293 0.542 -3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.337 1.677 -2.282 1.00 0.00 H new ATOM 315 N SER A 18 -8.644 -5.260 -0.704 1.00 0.00 N ATOM 316 CA SER A 18 -9.488 -6.300 -0.172 1.00 0.00 C ATOM 317 C SER A 18 -8.663 -7.517 0.222 1.00 0.00 C ATOM 318 O SER A 18 -8.877 -8.112 1.281 1.00 0.00 O ATOM 319 CB SER A 18 -10.488 -6.694 -1.252 1.00 0.00 C ATOM 320 OG SER A 18 -9.833 -6.626 -2.529 1.00 0.00 O ATOM 0 H SER A 18 -8.882 -4.982 -1.656 1.00 0.00 H new ATOM 0 HA SER A 18 -10.000 -5.934 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.862 -7.702 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.349 -6.026 -1.232 1.00 0.00 H new ATOM 0 HG SER A 18 -9.847 -7.510 -2.952 1.00 0.00 H new ATOM 326 N GLU A 19 -7.712 -7.874 -0.623 1.00 0.00 N ATOM 327 CA GLU A 19 -6.884 -9.037 -0.369 1.00 0.00 C ATOM 328 C GLU A 19 -6.053 -8.803 0.876 1.00 0.00 C ATOM 329 O GLU A 19 -5.943 -9.677 1.739 1.00 0.00 O ATOM 330 CB GLU A 19 -5.961 -9.321 -1.566 1.00 0.00 C ATOM 331 CG GLU A 19 -6.682 -8.986 -2.884 1.00 0.00 C ATOM 332 CD GLU A 19 -8.040 -9.657 -2.945 1.00 0.00 C ATOM 333 OE1 GLU A 19 -8.081 -10.864 -2.949 1.00 0.00 O ATOM 334 OE2 GLU A 19 -9.025 -8.950 -2.999 1.00 0.00 O ATOM 0 H GLU A 19 -7.495 -7.377 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.531 -9.902 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.050 -8.729 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.661 -10.369 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.801 -7.906 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.074 -9.310 -3.728 1.00 0.00 H new ATOM 341 N LEU A 20 -5.521 -7.594 0.990 1.00 0.00 N ATOM 342 CA LEU A 20 -4.757 -7.209 2.167 1.00 0.00 C ATOM 343 C LEU A 20 -5.657 -7.236 3.389 1.00 0.00 C ATOM 344 O LEU A 20 -5.283 -7.749 4.438 1.00 0.00 O ATOM 345 CB LEU A 20 -4.162 -5.801 1.989 1.00 0.00 C ATOM 346 CG LEU A 20 -2.866 -5.872 1.157 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.165 -6.452 -0.225 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.285 -4.463 0.993 1.00 0.00 C ATOM 0 H LEU A 20 -5.605 -6.864 0.282 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.939 -7.917 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.885 -5.153 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.953 -5.361 2.964 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.149 -6.511 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.244 -6.499 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.578 -7.455 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.886 -5.816 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.369 -4.513 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.009 -3.828 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.063 -4.044 1.975 1.00 0.00 H new ATOM 360 N ALA A 21 -6.867 -6.722 3.231 1.00 0.00 N ATOM 361 CA ALA A 21 -7.834 -6.732 4.320 1.00 0.00 C ATOM 362 C ALA A 21 -8.223 -8.158 4.665 1.00 0.00 C ATOM 363 O ALA A 21 -8.376 -8.507 5.838 1.00 0.00 O ATOM 364 CB ALA A 21 -9.079 -5.928 3.945 1.00 0.00 C ATOM 0 H ALA A 21 -7.202 -6.296 2.367 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.371 -6.269 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.788 -5.949 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.796 -4.896 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.541 -6.365 3.060 1.00 0.00 H new ATOM 370 N ALA A 22 -8.376 -8.981 3.635 1.00 0.00 N ATOM 371 CA ALA A 22 -8.757 -10.374 3.817 1.00 0.00 C ATOM 372 C ALA A 22 -7.748 -11.102 4.690 1.00 0.00 C ATOM 373 O ALA A 22 -8.097 -12.039 5.404 1.00 0.00 O ATOM 374 CB ALA A 22 -8.895 -11.082 2.470 1.00 0.00 C ATOM 0 H ALA A 22 -8.241 -8.706 2.662 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.725 -10.391 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.180 -12.121 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.660 -10.585 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.943 -11.046 1.941 1.00 0.00 H new ATOM 380 N LEU A 23 -6.511 -10.636 4.667 1.00 0.00 N ATOM 381 CA LEU A 23 -5.462 -11.202 5.513 1.00 0.00 C ATOM 382 C LEU A 23 -5.813 -10.984 6.969 1.00 0.00 C ATOM 383 O LEU A 23 -5.519 -11.818 7.829 1.00 0.00 O ATOM 384 CB LEU A 23 -4.117 -10.539 5.219 1.00 0.00 C ATOM 385 CG LEU A 23 -3.647 -10.916 3.815 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.439 -10.067 3.440 1.00 0.00 C ATOM 387 CD2 LEU A 23 -3.262 -12.399 3.778 1.00 0.00 C ATOM 0 H LEU A 23 -6.203 -9.866 4.073 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.385 -12.269 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.210 -9.456 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.378 -10.853 5.956 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.454 -10.737 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.103 -10.335 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.715 -9.013 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.634 -10.245 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.928 -12.663 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.457 -12.584 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.127 -13.006 4.044 1.00 0.00 H new ATOM 399 N LEU A 24 -6.374 -9.818 7.247 1.00 0.00 N ATOM 400 CA LEU A 24 -6.703 -9.428 8.603 1.00 0.00 C ATOM 401 C LEU A 24 -7.918 -10.213 9.077 1.00 0.00 C ATOM 402 O LEU A 24 -8.018 -10.562 10.259 1.00 0.00 O ATOM 403 CB LEU A 24 -6.980 -7.917 8.661 1.00 0.00 C ATOM 404 CG LEU A 24 -5.722 -7.149 8.195 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.994 -5.647 8.160 1.00 0.00 C ATOM 406 CD2 LEU A 24 -4.543 -7.436 9.134 1.00 0.00 C ATOM 0 H LEU A 24 -6.612 -9.121 6.541 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.862 -9.650 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.829 -7.667 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.244 -7.623 9.677 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.470 -7.487 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.097 -5.122 7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.811 -5.441 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.269 -5.304 9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.665 -6.888 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.798 -7.119 10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.328 -8.505 9.132 1.00 0.00 H new ATOM 418 N GLU A 25 -8.780 -10.581 8.127 1.00 0.00 N ATOM 419 CA GLU A 25 -9.942 -11.440 8.397 1.00 0.00 C ATOM 420 C GLU A 25 -10.897 -10.771 9.391 1.00 0.00 C ATOM 421 O GLU A 25 -11.616 -11.446 10.139 1.00 0.00 O ATOM 422 CB GLU A 25 -9.456 -12.789 8.955 1.00 0.00 C ATOM 423 CG GLU A 25 -8.549 -13.473 7.910 1.00 0.00 C ATOM 424 CD GLU A 25 -7.885 -14.720 8.472 1.00 0.00 C ATOM 425 OE1 GLU A 25 -8.099 -15.026 9.625 1.00 0.00 O ATOM 426 OE2 GLU A 25 -7.145 -15.343 7.744 1.00 0.00 O ATOM 0 H GLU A 25 -8.696 -10.295 7.152 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.485 -11.602 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.908 -12.635 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.308 -13.428 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.140 -13.739 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.784 -12.772 7.578 1.00 0.00 H new ATOM 433 N VAL A 26 -10.898 -9.450 9.389 1.00 0.00 N ATOM 434 CA VAL A 26 -11.729 -8.667 10.299 1.00 0.00 C ATOM 435 C VAL A 26 -12.464 -7.557 9.553 1.00 0.00 C ATOM 436 O VAL A 26 -12.350 -7.442 8.330 1.00 0.00 O ATOM 437 CB VAL A 26 -10.871 -8.079 11.437 1.00 0.00 C ATOM 438 CG1 VAL A 26 -10.676 -9.134 12.530 1.00 0.00 C ATOM 439 CG2 VAL A 26 -9.492 -7.666 10.893 1.00 0.00 C ATOM 0 H VAL A 26 -10.326 -8.887 8.760 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.476 -9.331 10.733 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.379 -7.207 11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.069 -8.717 13.334 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.647 -9.432 12.925 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.173 -10.005 12.110 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.891 -7.251 11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.988 -8.539 10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.619 -6.915 10.113 1.00 0.00 H new ATOM 449 N SER A 27 -13.172 -6.718 10.306 1.00 0.00 N ATOM 450 CA SER A 27 -13.935 -5.593 9.753 1.00 0.00 C ATOM 451 C SER A 27 -13.094 -4.752 8.800 1.00 0.00 C ATOM 452 O SER A 27 -13.624 -3.887 8.079 1.00 0.00 O ATOM 453 CB SER A 27 -14.485 -4.718 10.887 1.00 0.00 C ATOM 454 OG SER A 27 -13.851 -5.087 12.118 1.00 0.00 O ATOM 0 H SER A 27 -13.235 -6.797 11.321 1.00 0.00 H new ATOM 0 HA SER A 27 -14.766 -6.007 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.302 -3.665 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.565 -4.844 10.968 1.00 0.00 H new ATOM 0 HG SER A 27 -14.198 -4.529 12.845 1.00 0.00 H new ATOM 460 N ARG A 28 -11.787 -4.973 8.832 1.00 0.00 N ATOM 461 CA ARG A 28 -10.847 -4.191 8.056 1.00 0.00 C ATOM 462 C ARG A 28 -11.290 -4.099 6.606 1.00 0.00 C ATOM 463 O ARG A 28 -11.185 -3.041 5.998 1.00 0.00 O ATOM 464 CB ARG A 28 -9.456 -4.844 8.108 1.00 0.00 C ATOM 465 CG ARG A 28 -8.903 -4.831 9.546 1.00 0.00 C ATOM 466 CD ARG A 28 -8.664 -3.395 10.002 1.00 0.00 C ATOM 467 NE ARG A 28 -7.978 -2.627 8.962 1.00 0.00 N ATOM 468 CZ ARG A 28 -8.207 -1.322 8.809 1.00 0.00 C ATOM 469 NH1 ARG A 28 -8.951 -0.692 9.673 1.00 0.00 N ATOM 470 NH2 ARG A 28 -7.658 -0.671 7.827 1.00 0.00 N ATOM 0 H ARG A 28 -11.353 -5.701 9.399 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.807 -3.189 8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.516 -5.870 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.774 -4.312 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.606 -5.322 10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.971 -5.395 9.591 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.616 -2.922 10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.068 -3.393 10.915 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.315 -3.097 8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.355 -1.197 10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.129 0.306 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.049 -1.158 7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.836 0.327 7.714 1.00 0.00 H new ATOM 484 N GLN A 29 -11.810 -5.189 6.061 1.00 0.00 N ATOM 485 CA GLN A 29 -12.265 -5.177 4.676 1.00 0.00 C ATOM 486 C GLN A 29 -13.418 -4.191 4.486 1.00 0.00 C ATOM 487 O GLN A 29 -13.428 -3.405 3.533 1.00 0.00 O ATOM 488 CB GLN A 29 -12.630 -6.609 4.192 1.00 0.00 C ATOM 489 CG GLN A 29 -14.148 -6.875 4.265 1.00 0.00 C ATOM 490 CD GLN A 29 -14.586 -7.104 5.708 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.212 -6.339 6.601 1.00 0.00 O ATOM 492 NE2 GLN A 29 -15.352 -8.107 5.993 1.00 0.00 N ATOM 0 H GLN A 29 -11.927 -6.079 6.545 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.442 -4.831 4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.288 -6.743 3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.104 -7.343 4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.691 -6.029 3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.399 -7.747 3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.661 -8.739 5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.647 -8.266 6.956 1.00 0.00 H new ATOM 501 N THR A 30 -14.368 -4.221 5.406 1.00 0.00 N ATOM 502 CA THR A 30 -15.514 -3.334 5.349 1.00 0.00 C ATOM 503 C THR A 30 -15.101 -1.869 5.520 1.00 0.00 C ATOM 504 O THR A 30 -15.532 -0.999 4.756 1.00 0.00 O ATOM 505 CB THR A 30 -16.558 -3.743 6.402 1.00 0.00 C ATOM 506 OG1 THR A 30 -15.908 -4.404 7.496 1.00 0.00 O ATOM 507 CG2 THR A 30 -17.579 -4.697 5.776 1.00 0.00 C ATOM 0 H THR A 30 -14.366 -4.855 6.205 1.00 0.00 H new ATOM 0 HA THR A 30 -15.965 -3.427 4.361 1.00 0.00 H new ATOM 0 HB THR A 30 -17.066 -2.849 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.120 -3.889 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.316 -4.984 6.526 1.00 0.00 H new ATOM 0 HG22 THR A 30 -18.080 -4.200 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.068 -5.588 5.410 1.00 0.00 H new ATOM 515 N ILE A 31 -14.246 -1.602 6.499 1.00 0.00 N ATOM 516 CA ILE A 31 -13.792 -0.238 6.743 1.00 0.00 C ATOM 517 C ILE A 31 -12.727 0.174 5.737 1.00 0.00 C ATOM 518 O ILE A 31 -12.582 1.355 5.422 1.00 0.00 O ATOM 519 CB ILE A 31 -13.324 -0.066 8.191 1.00 0.00 C ATOM 520 CG1 ILE A 31 -12.198 -1.050 8.501 1.00 0.00 C ATOM 521 CG2 ILE A 31 -14.500 -0.321 9.138 1.00 0.00 C ATOM 522 CD1 ILE A 31 -11.825 -0.949 9.979 1.00 0.00 C ATOM 0 H ILE A 31 -13.857 -2.302 7.130 1.00 0.00 H new ATOM 0 HA ILE A 31 -14.638 0.435 6.600 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.954 0.950 8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -12.513 -2.066 8.263 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.329 -0.832 7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.170 -0.199 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.298 0.390 8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.870 -1.336 8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.021 -1.651 10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -11.493 0.065 10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -12.695 -1.188 10.591 1.00 0.00 H new ATOM 534 N ASN A 32 -12.111 -0.815 5.105 1.00 0.00 N ATOM 535 CA ASN A 32 -11.182 -0.559 4.010 1.00 0.00 C ATOM 536 C ASN A 32 -11.886 0.252 2.938 1.00 0.00 C ATOM 537 O ASN A 32 -11.267 1.075 2.243 1.00 0.00 O ATOM 538 CB ASN A 32 -10.659 -1.891 3.427 1.00 0.00 C ATOM 539 CG ASN A 32 -10.847 -1.940 1.913 1.00 0.00 C ATOM 540 OD1 ASN A 32 -10.025 -1.422 1.165 1.00 0.00 O ATOM 541 ND2 ASN A 32 -11.893 -2.524 1.423 1.00 0.00 N ATOM 0 H ASN A 32 -12.237 -1.802 5.330 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.327 0.005 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.603 -2.008 3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.186 -2.726 3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.034 -2.554 0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.576 -2.954 2.047 1.00 0.00 H new ATOM 548 N GLY A 33 -13.184 0.041 2.819 1.00 0.00 N ATOM 549 CA GLY A 33 -13.976 0.783 1.865 1.00 0.00 C ATOM 550 C GLY A 33 -13.930 2.269 2.184 1.00 0.00 C ATOM 551 O GLY A 33 -13.667 3.089 1.304 1.00 0.00 O ATOM 0 H GLY A 33 -13.708 -0.638 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.601 0.609 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.007 0.431 1.886 1.00 0.00 H new ATOM 555 N ILE A 34 -14.105 2.616 3.455 1.00 0.00 N ATOM 556 CA ILE A 34 -14.020 4.013 3.852 1.00 0.00 C ATOM 557 C ILE A 34 -12.586 4.446 4.092 1.00 0.00 C ATOM 558 O ILE A 34 -12.217 5.572 3.772 1.00 0.00 O ATOM 559 CB ILE A 34 -14.865 4.311 5.103 1.00 0.00 C ATOM 560 CG1 ILE A 34 -14.378 3.485 6.297 1.00 0.00 C ATOM 561 CG2 ILE A 34 -16.331 3.993 4.838 1.00 0.00 C ATOM 562 CD1 ILE A 34 -15.090 3.958 7.561 1.00 0.00 C ATOM 0 H ILE A 34 -14.303 1.963 4.213 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.423 4.588 3.018 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.758 5.370 5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -14.578 2.427 6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.299 3.591 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.917 4.208 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.692 4.604 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.434 2.939 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.746 3.372 8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.868 5.011 7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.166 3.829 7.443 1.00 0.00 H new ATOM 574 N GLU A 35 -11.792 3.588 4.723 1.00 0.00 N ATOM 575 CA GLU A 35 -10.472 4.009 5.145 1.00 0.00 C ATOM 576 C GLU A 35 -9.617 4.485 4.009 1.00 0.00 C ATOM 577 O GLU A 35 -8.845 5.401 4.182 1.00 0.00 O ATOM 578 CB GLU A 35 -9.720 2.966 5.965 1.00 0.00 C ATOM 579 CG GLU A 35 -10.359 2.797 7.352 1.00 0.00 C ATOM 580 CD GLU A 35 -9.486 1.899 8.211 1.00 0.00 C ATOM 581 OE1 GLU A 35 -8.385 1.606 7.801 1.00 0.00 O ATOM 582 OE2 GLU A 35 -9.912 1.524 9.272 1.00 0.00 O ATOM 0 H GLU A 35 -12.035 2.623 4.947 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.668 4.855 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.724 2.011 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.678 3.265 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.478 3.770 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.355 2.366 7.254 1.00 0.00 H new ATOM 589 N LYS A 36 -9.746 3.881 2.854 1.00 0.00 N ATOM 590 CA LYS A 36 -8.923 4.300 1.736 1.00 0.00 C ATOM 591 C LYS A 36 -9.353 5.680 1.254 1.00 0.00 C ATOM 592 O LYS A 36 -8.517 6.554 1.014 1.00 0.00 O ATOM 593 CB LYS A 36 -8.940 3.230 0.616 1.00 0.00 C ATOM 594 CG LYS A 36 -9.764 3.674 -0.613 1.00 0.00 C ATOM 595 CD LYS A 36 -11.140 2.995 -0.585 1.00 0.00 C ATOM 596 CE LYS A 36 -11.037 1.566 -1.146 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.641 0.632 -0.057 1.00 0.00 N ATOM 0 H LYS A 36 -10.394 3.117 2.660 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.886 4.389 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.917 3.017 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.353 2.302 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.882 4.758 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.237 3.412 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.519 2.966 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.852 3.574 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.993 1.261 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.304 1.533 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.027 -0.314 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.604 0.579 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.016 0.977 0.850 1.00 0.00 H new ATOM 611 N ASN A 37 -10.658 5.909 1.199 1.00 0.00 N ATOM 612 CA ASN A 37 -11.161 7.240 0.880 1.00 0.00 C ATOM 613 C ASN A 37 -10.866 8.201 2.029 1.00 0.00 C ATOM 614 O ASN A 37 -10.561 9.379 1.815 1.00 0.00 O ATOM 615 CB ASN A 37 -12.672 7.210 0.624 1.00 0.00 C ATOM 616 CG ASN A 37 -13.157 8.614 0.268 1.00 0.00 C ATOM 617 OD1 ASN A 37 -12.660 9.218 -0.689 1.00 0.00 O ATOM 618 ND2 ASN A 37 -14.088 9.177 0.978 1.00 0.00 N ATOM 0 H ASN A 37 -11.377 5.205 1.368 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.658 7.581 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -12.900 6.518 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -13.194 6.847 1.509 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -14.408 10.117 0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.498 8.679 1.768 1.00 0.00 H new ATOM 625 N LYS A 38 -11.077 7.710 3.249 1.00 0.00 N ATOM 626 CA LYS A 38 -10.944 8.521 4.456 1.00 0.00 C ATOM 627 C LYS A 38 -9.482 8.746 4.851 1.00 0.00 C ATOM 628 O LYS A 38 -9.093 9.862 5.191 1.00 0.00 O ATOM 629 CB LYS A 38 -11.667 7.823 5.626 1.00 0.00 C ATOM 630 CG LYS A 38 -13.189 7.720 5.374 1.00 0.00 C ATOM 631 CD LYS A 38 -13.834 9.100 5.442 1.00 0.00 C ATOM 632 CE LYS A 38 -15.348 8.985 5.220 1.00 0.00 C ATOM 633 NZ LYS A 38 -15.976 10.325 5.346 1.00 0.00 N ATOM 0 H LYS A 38 -11.344 6.742 3.427 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.390 9.492 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.253 6.825 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.487 8.376 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.373 7.274 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.643 7.062 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.634 9.556 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.396 9.752 4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.550 8.570 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.781 8.300 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.002 10.243 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.795 10.705 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.571 10.966 4.634 1.00 0.00 H new ATOM 647 N TYR A 39 -8.734 7.657 4.964 1.00 0.00 N ATOM 648 CA TYR A 39 -7.370 7.694 5.493 1.00 0.00 C ATOM 649 C TYR A 39 -6.337 7.250 4.463 1.00 0.00 C ATOM 650 O TYR A 39 -6.657 6.551 3.495 1.00 0.00 O ATOM 651 CB TYR A 39 -7.259 6.806 6.741 1.00 0.00 C ATOM 652 CG TYR A 39 -8.374 7.140 7.713 1.00 0.00 C ATOM 653 CD1 TYR A 39 -8.308 8.292 8.506 1.00 0.00 C ATOM 654 CD2 TYR A 39 -9.482 6.297 7.803 1.00 0.00 C ATOM 655 CE1 TYR A 39 -9.351 8.588 9.389 1.00 0.00 C ATOM 656 CE2 TYR A 39 -10.526 6.592 8.684 1.00 0.00 C ATOM 657 CZ TYR A 39 -10.459 7.740 9.478 1.00 0.00 C ATOM 658 OH TYR A 39 -11.487 8.037 10.345 1.00 0.00 O ATOM 0 H TYR A 39 -9.050 6.725 4.694 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.159 8.731 5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.315 5.755 6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.291 6.955 7.219 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.454 8.950 8.436 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.533 5.411 7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.301 9.474 10.004 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -11.381 5.936 8.751 1.00 0.00 H new ATOM 0 HH TYR A 39 -12.179 7.346 10.282 1.00 0.00 H new ATOM 668 N ASN A 40 -5.081 7.463 4.805 1.00 0.00 N ATOM 669 CA ASN A 40 -3.975 6.864 4.072 1.00 0.00 C ATOM 670 C ASN A 40 -3.602 5.572 4.795 1.00 0.00 C ATOM 671 O ASN A 40 -3.752 5.492 6.016 1.00 0.00 O ATOM 672 CB ASN A 40 -2.766 7.816 4.049 1.00 0.00 C ATOM 673 CG ASN A 40 -2.463 8.279 2.624 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.779 7.581 1.650 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.860 9.409 2.435 1.00 0.00 N ATOM 0 H ASN A 40 -4.797 8.049 5.590 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.265 6.667 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.967 8.681 4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.894 7.312 4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.647 9.721 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.598 9.987 3.234 1.00 0.00 H new ATOM 682 N PRO A 41 -3.163 4.548 4.102 1.00 0.00 N ATOM 683 CA PRO A 41 -2.846 3.272 4.790 1.00 0.00 C ATOM 684 C PRO A 41 -1.821 3.486 5.897 1.00 0.00 C ATOM 685 O PRO A 41 -0.815 4.171 5.695 1.00 0.00 O ATOM 686 CB PRO A 41 -2.267 2.412 3.668 1.00 0.00 C ATOM 687 CG PRO A 41 -2.926 2.905 2.406 1.00 0.00 C ATOM 688 CD PRO A 41 -3.488 4.312 2.690 1.00 0.00 C ATOM 0 HA PRO A 41 -3.711 2.821 5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.183 2.516 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.477 1.355 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.207 2.938 1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.725 2.228 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.030 5.062 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.563 4.355 2.516 1.00 0.00 H new ATOM 696 N SER A 42 -2.098 2.926 7.064 1.00 0.00 N ATOM 697 CA SER A 42 -1.228 3.097 8.215 1.00 0.00 C ATOM 698 C SER A 42 -0.042 2.154 8.150 1.00 0.00 C ATOM 699 O SER A 42 -0.193 0.974 7.826 1.00 0.00 O ATOM 700 CB SER A 42 -2.014 2.893 9.506 1.00 0.00 C ATOM 701 OG SER A 42 -3.266 3.573 9.397 1.00 0.00 O ATOM 0 H SER A 42 -2.920 2.348 7.238 1.00 0.00 H new ATOM 0 HA SER A 42 -0.841 4.116 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.176 1.830 9.685 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.449 3.276 10.356 1.00 0.00 H new ATOM 0 HG SER A 42 -3.780 3.446 10.222 1.00 0.00 H new ATOM 707 N LEU A 43 1.135 2.669 8.471 1.00 0.00 N ATOM 708 CA LEU A 43 2.358 1.880 8.414 1.00 0.00 C ATOM 709 C LEU A 43 2.276 0.703 9.376 1.00 0.00 C ATOM 710 O LEU A 43 2.642 -0.420 9.031 1.00 0.00 O ATOM 711 CB LEU A 43 3.574 2.765 8.761 1.00 0.00 C ATOM 712 CG LEU A 43 4.884 2.171 8.187 1.00 0.00 C ATOM 713 CD1 LEU A 43 5.187 0.806 8.810 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.782 2.029 6.663 1.00 0.00 C ATOM 0 H LEU A 43 1.270 3.633 8.775 1.00 0.00 H new ATOM 0 HA LEU A 43 2.477 1.494 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.422 3.768 8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.659 2.861 9.843 1.00 0.00 H new ATOM 0 HG LEU A 43 5.697 2.854 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.112 0.411 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.296 0.915 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.369 0.119 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.710 1.610 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.953 1.367 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.611 3.009 6.217 1.00 0.00 H new ATOM 726 N GLN A 44 1.781 0.956 10.578 1.00 0.00 N ATOM 727 CA GLN A 44 1.708 -0.093 11.585 1.00 0.00 C ATOM 728 C GLN A 44 0.845 -1.246 11.088 1.00 0.00 C ATOM 729 O GLN A 44 1.281 -2.401 11.083 1.00 0.00 O ATOM 730 CB GLN A 44 1.139 0.474 12.890 1.00 0.00 C ATOM 731 CG GLN A 44 2.139 1.462 13.502 1.00 0.00 C ATOM 732 CD GLN A 44 1.535 2.115 14.739 1.00 0.00 C ATOM 733 OE1 GLN A 44 0.555 2.860 14.632 1.00 0.00 O ATOM 734 NE2 GLN A 44 2.051 1.883 15.905 1.00 0.00 N ATOM 0 H GLN A 44 1.428 1.865 10.878 1.00 0.00 H new ATOM 0 HA GLN A 44 2.713 -0.471 11.773 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.190 0.974 12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.936 -0.335 13.592 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.060 0.943 13.768 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.403 2.225 12.770 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.860 1.268 15.991 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.648 2.316 16.736 1.00 0.00 H new ATOM 743 N LEU A 45 -0.332 -0.929 10.573 1.00 0.00 N ATOM 744 CA LEU A 45 -1.170 -1.949 9.962 1.00 0.00 C ATOM 745 C LEU A 45 -0.491 -2.483 8.705 1.00 0.00 C ATOM 746 O LEU A 45 -0.516 -3.688 8.427 1.00 0.00 O ATOM 747 CB LEU A 45 -2.588 -1.431 9.655 1.00 0.00 C ATOM 748 CG LEU A 45 -3.453 -2.587 9.105 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.501 -3.722 10.135 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.885 -2.094 8.857 1.00 0.00 C ATOM 0 H LEU A 45 -0.725 0.012 10.565 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.289 -2.763 10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.041 -1.022 10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.541 -0.621 8.928 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.017 -2.942 8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.111 -4.538 9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.490 -4.083 10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.936 -3.352 11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.490 -2.914 8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.314 -1.737 9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.869 -1.280 8.132 1.00 0.00 H new ATOM 762 N ALA A 46 0.107 -1.567 7.936 1.00 0.00 N ATOM 763 CA ALA A 46 0.764 -1.922 6.685 1.00 0.00 C ATOM 764 C ALA A 46 1.736 -3.062 6.892 1.00 0.00 C ATOM 765 O ALA A 46 1.863 -3.926 6.044 1.00 0.00 O ATOM 766 CB ALA A 46 1.506 -0.723 6.087 1.00 0.00 C ATOM 0 H ALA A 46 0.147 -0.573 8.163 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.014 -2.236 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.986 -1.020 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.798 0.082 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.263 -0.376 6.790 1.00 0.00 H new ATOM 772 N LEU A 47 2.397 -3.081 8.034 1.00 0.00 N ATOM 773 CA LEU A 47 3.354 -4.143 8.330 1.00 0.00 C ATOM 774 C LEU A 47 2.669 -5.497 8.354 1.00 0.00 C ATOM 775 O LEU A 47 3.209 -6.489 7.858 1.00 0.00 O ATOM 776 CB LEU A 47 4.037 -3.891 9.677 1.00 0.00 C ATOM 777 CG LEU A 47 4.987 -2.693 9.566 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.413 -2.258 10.959 1.00 0.00 C ATOM 779 CD2 LEU A 47 6.239 -3.100 8.787 1.00 0.00 C ATOM 0 H LEU A 47 2.294 -2.382 8.770 1.00 0.00 H new ATOM 0 HA LEU A 47 4.106 -4.143 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.287 -3.701 10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.591 -4.778 9.985 1.00 0.00 H new ATOM 0 HG LEU A 47 4.475 -1.879 9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.089 -1.406 10.883 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.533 -1.973 11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.923 -3.082 11.458 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.913 -2.247 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.743 -3.914 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.955 -3.430 7.788 1.00 0.00 H new ATOM 791 N LYS A 48 1.489 -5.546 8.943 1.00 0.00 N ATOM 792 CA LYS A 48 0.747 -6.796 9.028 1.00 0.00 C ATOM 793 C LYS A 48 0.359 -7.274 7.634 1.00 0.00 C ATOM 794 O LYS A 48 0.517 -8.453 7.297 1.00 0.00 O ATOM 795 CB LYS A 48 -0.491 -6.616 9.906 1.00 0.00 C ATOM 796 CG LYS A 48 -0.027 -6.313 11.337 1.00 0.00 C ATOM 797 CD LYS A 48 -1.230 -6.143 12.267 1.00 0.00 C ATOM 798 CE LYS A 48 -0.737 -5.711 13.658 1.00 0.00 C ATOM 799 NZ LYS A 48 0.483 -6.482 14.019 1.00 0.00 N ATOM 0 H LYS A 48 1.024 -4.743 9.367 1.00 0.00 H new ATOM 0 HA LYS A 48 1.383 -7.555 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.110 -5.803 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.103 -7.518 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.608 -7.122 11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.577 -5.406 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.915 -5.397 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.784 -7.079 12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.518 -4.643 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.518 -5.879 14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.610 -6.467 15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.380 -7.466 13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.313 -6.053 13.562 1.00 0.00 H new ATOM 813 N ILE A 49 -0.070 -6.337 6.801 1.00 0.00 N ATOM 814 CA ILE A 49 -0.401 -6.639 5.415 1.00 0.00 C ATOM 815 C ILE A 49 0.862 -6.703 4.553 1.00 0.00 C ATOM 816 O ILE A 49 0.889 -7.388 3.521 1.00 0.00 O ATOM 817 CB ILE A 49 -1.438 -5.651 4.860 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.921 -4.221 4.988 1.00 0.00 C ATOM 819 CG2 ILE A 49 -2.749 -5.783 5.646 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.915 -3.253 4.341 1.00 0.00 C ATOM 0 H ILE A 49 -0.197 -5.359 7.061 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.862 -7.626 5.382 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.613 -5.879 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.783 -3.967 6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.053 -4.132 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.483 -5.081 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.130 -6.800 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.566 -5.562 6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.543 -2.233 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.031 -3.502 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.880 -3.334 4.841 1.00 0.00 H new ATOM 832 N ALA A 50 1.938 -6.062 5.034 1.00 0.00 N ATOM 833 CA ALA A 50 3.248 -6.115 4.373 1.00 0.00 C ATOM 834 C ALA A 50 3.624 -7.556 4.125 1.00 0.00 C ATOM 835 O ALA A 50 4.436 -7.868 3.256 1.00 0.00 O ATOM 836 CB ALA A 50 4.333 -5.430 5.214 1.00 0.00 C ATOM 0 H ALA A 50 1.924 -5.498 5.884 1.00 0.00 H new ATOM 0 HA ALA A 50 3.175 -5.579 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.289 -5.489 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.068 -4.384 5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.415 -5.930 6.179 1.00 0.00 H new ATOM 842 N TYR A 51 2.955 -8.429 4.847 1.00 0.00 N ATOM 843 CA TYR A 51 3.096 -9.852 4.682 1.00 0.00 C ATOM 844 C TYR A 51 2.761 -10.213 3.239 1.00 0.00 C ATOM 845 O TYR A 51 3.572 -10.828 2.540 1.00 0.00 O ATOM 846 CB TYR A 51 2.102 -10.516 5.648 1.00 0.00 C ATOM 847 CG TYR A 51 2.036 -12.014 5.475 1.00 0.00 C ATOM 848 CD1 TYR A 51 3.012 -12.839 6.044 1.00 0.00 C ATOM 849 CD2 TYR A 51 0.966 -12.578 4.772 1.00 0.00 C ATOM 850 CE1 TYR A 51 2.910 -14.228 5.912 1.00 0.00 C ATOM 851 CE2 TYR A 51 0.873 -13.958 4.634 1.00 0.00 C ATOM 852 CZ TYR A 51 1.839 -14.785 5.204 1.00 0.00 C ATOM 853 OH TYR A 51 1.722 -16.151 5.089 1.00 0.00 O ATOM 0 H TYR A 51 2.290 -8.163 5.573 1.00 0.00 H new ATOM 0 HA TYR A 51 4.111 -10.188 4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.389 -10.285 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.110 -10.092 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.841 -12.405 6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.211 -11.940 4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.657 -14.870 6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.050 -14.390 4.084 1.00 0.00 H new ATOM 0 HH TYR A 51 0.921 -16.368 4.567 1.00 0.00 H new ATOM 863 N TYR A 52 1.635 -9.703 2.756 1.00 0.00 N ATOM 864 CA TYR A 52 1.281 -9.842 1.346 1.00 0.00 C ATOM 865 C TYR A 52 2.180 -8.995 0.469 1.00 0.00 C ATOM 866 O TYR A 52 2.663 -9.447 -0.569 1.00 0.00 O ATOM 867 CB TYR A 52 -0.185 -9.482 1.096 1.00 0.00 C ATOM 868 CG TYR A 52 -0.901 -10.694 0.546 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.877 -11.897 1.257 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.581 -10.616 -0.673 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.527 -13.017 0.754 1.00 0.00 C ATOM 872 CE2 TYR A 52 -2.235 -11.741 -1.177 1.00 0.00 C ATOM 873 CZ TYR A 52 -2.207 -12.942 -0.461 1.00 0.00 C ATOM 874 OH TYR A 52 -2.846 -14.058 -0.954 1.00 0.00 O ATOM 0 H TYR A 52 0.953 -9.191 3.316 1.00 0.00 H new ATOM 0 HA TYR A 52 1.425 -10.890 1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.656 -9.155 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.254 -8.652 0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.352 -11.956 2.199 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.600 -9.687 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.506 -13.946 1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.762 -11.684 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.273 -13.840 -1.809 1.00 0.00 H new ATOM 884 N LEU A 53 2.382 -7.753 0.872 1.00 0.00 N ATOM 885 CA LEU A 53 3.186 -6.842 0.079 1.00 0.00 C ATOM 886 C LEU A 53 4.643 -7.238 0.141 1.00 0.00 C ATOM 887 O LEU A 53 5.446 -6.592 0.813 1.00 0.00 O ATOM 888 CB LEU A 53 3.001 -5.395 0.554 1.00 0.00 C ATOM 889 CG LEU A 53 1.609 -4.886 0.143 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.196 -3.724 1.049 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.664 -4.385 -1.308 1.00 0.00 C ATOM 0 H LEU A 53 2.005 -7.356 1.733 1.00 0.00 H new ATOM 0 HA LEU A 53 2.852 -6.903 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.113 -5.341 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.773 -4.759 0.121 1.00 0.00 H new ATOM 0 HG LEU A 53 0.887 -5.698 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.209 -3.366 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.165 -4.063 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.919 -2.914 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.680 -4.023 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.388 -3.574 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.963 -5.202 -1.964 1.00 0.00 H new ATOM 903 N ASN A 54 4.988 -8.271 -0.614 1.00 0.00 N ATOM 904 CA ASN A 54 6.364 -8.746 -0.685 1.00 0.00 C ATOM 905 C ASN A 54 7.235 -7.683 -1.329 1.00 0.00 C ATOM 906 O ASN A 54 7.685 -7.836 -2.468 1.00 0.00 O ATOM 907 CB ASN A 54 6.435 -10.027 -1.512 1.00 0.00 C ATOM 908 CG ASN A 54 7.800 -10.681 -1.339 1.00 0.00 C ATOM 909 OD1 ASN A 54 8.176 -11.052 -0.221 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.570 -10.843 -2.367 1.00 0.00 N ATOM 0 H ASN A 54 4.331 -8.799 -1.189 1.00 0.00 H new ATOM 0 HA ASN A 54 6.720 -8.952 0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.650 -10.716 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.261 -9.801 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.486 -11.277 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.260 -10.537 -3.289 1.00 0.00 H new ATOM 917 N THR A 55 7.344 -6.563 -0.657 1.00 0.00 N ATOM 918 CA THR A 55 8.035 -5.399 -1.172 1.00 0.00 C ATOM 919 C THR A 55 8.667 -4.651 -0.010 1.00 0.00 C ATOM 920 O THR A 55 7.999 -4.414 1.002 1.00 0.00 O ATOM 921 CB THR A 55 7.019 -4.489 -1.873 1.00 0.00 C ATOM 922 OG1 THR A 55 5.833 -5.238 -2.168 1.00 0.00 O ATOM 923 CG2 THR A 55 7.610 -3.930 -3.162 1.00 0.00 C ATOM 0 H THR A 55 6.952 -6.429 0.275 1.00 0.00 H new ATOM 0 HA THR A 55 8.807 -5.700 -1.880 1.00 0.00 H new ATOM 0 HB THR A 55 6.772 -3.657 -1.213 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.127 -4.628 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.878 -3.286 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.505 -3.352 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.871 -4.752 -3.829 1.00 0.00 H new ATOM 931 N PRO A 56 9.929 -4.315 -0.092 1.00 0.00 N ATOM 932 CA PRO A 56 10.586 -3.618 1.049 1.00 0.00 C ATOM 933 C PRO A 56 9.865 -2.320 1.381 1.00 0.00 C ATOM 934 O PRO A 56 9.753 -1.423 0.533 1.00 0.00 O ATOM 935 CB PRO A 56 12.000 -3.322 0.531 1.00 0.00 C ATOM 936 CG PRO A 56 12.230 -4.335 -0.537 1.00 0.00 C ATOM 937 CD PRO A 56 10.876 -4.535 -1.207 1.00 0.00 C ATOM 0 HA PRO A 56 10.579 -4.214 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.074 -2.308 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.740 -3.410 1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.975 -3.988 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.602 -5.270 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.717 -3.826 -2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.777 -5.534 -1.632 1.00 0.00 H new ATOM 945 N LEU A 57 9.471 -2.177 2.626 1.00 0.00 N ATOM 946 CA LEU A 57 8.873 -0.941 3.087 1.00 0.00 C ATOM 947 C LEU A 57 9.913 0.156 3.133 1.00 0.00 C ATOM 948 O LEU A 57 9.639 1.307 2.801 1.00 0.00 O ATOM 949 CB LEU A 57 8.172 -1.122 4.433 1.00 0.00 C ATOM 950 CG LEU A 57 6.992 -2.096 4.250 1.00 0.00 C ATOM 951 CD1 LEU A 57 6.284 -2.326 5.585 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.998 -1.542 3.215 1.00 0.00 C ATOM 0 H LEU A 57 9.553 -2.901 3.340 1.00 0.00 H new ATOM 0 HA LEU A 57 8.102 -0.645 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.871 -1.511 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.815 -0.162 4.805 1.00 0.00 H new ATOM 0 HG LEU A 57 7.381 -3.048 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.452 -3.016 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.988 -2.750 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.906 -1.377 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.170 -2.240 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.615 -0.580 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.504 -1.412 2.258 1.00 0.00 H new ATOM 964 N GLU A 58 11.128 -0.227 3.480 1.00 0.00 N ATOM 965 CA GLU A 58 12.236 0.704 3.545 1.00 0.00 C ATOM 966 C GLU A 58 12.451 1.354 2.198 1.00 0.00 C ATOM 967 O GLU A 58 12.771 2.541 2.121 1.00 0.00 O ATOM 968 CB GLU A 58 13.509 -0.024 3.965 1.00 0.00 C ATOM 969 CG GLU A 58 13.395 -0.453 5.430 1.00 0.00 C ATOM 970 CD GLU A 58 14.608 -1.251 5.856 1.00 0.00 C ATOM 971 OE1 GLU A 58 15.434 -1.558 5.017 1.00 0.00 O ATOM 972 OE2 GLU A 58 14.691 -1.567 7.017 1.00 0.00 O ATOM 0 H GLU A 58 11.372 -1.187 3.723 1.00 0.00 H new ATOM 0 HA GLU A 58 12.000 1.472 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.667 -0.897 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.373 0.627 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.293 0.428 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.494 -1.051 5.569 1.00 0.00 H new ATOM 979 N ASP A 59 12.262 0.582 1.141 1.00 0.00 N ATOM 980 CA ASP A 59 12.433 1.094 -0.208 1.00 0.00 C ATOM 981 C ASP A 59 11.513 2.277 -0.445 1.00 0.00 C ATOM 982 O ASP A 59 11.962 3.339 -0.869 1.00 0.00 O ATOM 983 CB ASP A 59 12.146 -0.004 -1.236 1.00 0.00 C ATOM 984 CG ASP A 59 12.273 0.544 -2.639 1.00 0.00 C ATOM 985 OD1 ASP A 59 13.341 0.986 -2.985 1.00 0.00 O ATOM 986 OD2 ASP A 59 11.302 0.502 -3.361 1.00 0.00 O ATOM 0 H ASP A 59 11.991 -0.400 1.191 1.00 0.00 H new ATOM 0 HA ASP A 59 13.466 1.422 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.841 -0.832 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.143 -0.401 -1.083 1.00 0.00 H new ATOM 991 N ILE A 60 10.247 2.115 -0.079 1.00 0.00 N ATOM 992 CA ILE A 60 9.270 3.198 -0.186 1.00 0.00 C ATOM 993 C ILE A 60 9.359 4.157 1.002 1.00 0.00 C ATOM 994 O ILE A 60 8.893 5.290 0.931 1.00 0.00 O ATOM 995 CB ILE A 60 7.844 2.647 -0.350 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.503 1.706 0.813 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.729 1.891 -1.679 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.033 1.286 0.722 1.00 0.00 C ATOM 0 H ILE A 60 9.870 1.244 0.295 1.00 0.00 H new ATOM 0 HA ILE A 60 9.513 3.767 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 60 7.142 3.481 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.145 0.826 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.691 2.204 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.717 1.503 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.950 2.569 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.438 1.063 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.794 0.618 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.398 2.170 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.860 0.771 -0.223 1.00 0.00 H new ATOM 1010 N PHE A 61 9.936 3.679 2.096 1.00 0.00 N ATOM 1011 CA PHE A 61 10.088 4.478 3.312 1.00 0.00 C ATOM 1012 C PHE A 61 10.915 5.715 3.014 1.00 0.00 C ATOM 1013 O PHE A 61 10.632 6.798 3.525 1.00 0.00 O ATOM 1014 CB PHE A 61 10.755 3.660 4.424 1.00 0.00 C ATOM 1015 CG PHE A 61 10.786 4.463 5.707 1.00 0.00 C ATOM 1016 CD1 PHE A 61 9.628 4.586 6.482 1.00 0.00 C ATOM 1017 CD2 PHE A 61 11.973 5.080 6.122 1.00 0.00 C ATOM 1018 CE1 PHE A 61 9.657 5.327 7.669 1.00 0.00 C ATOM 1019 CE2 PHE A 61 11.999 5.820 7.310 1.00 0.00 C ATOM 1020 CZ PHE A 61 10.841 5.943 8.082 1.00 0.00 C ATOM 0 H PHE A 61 10.311 2.733 2.169 1.00 0.00 H new ATOM 0 HA PHE A 61 9.097 4.777 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.209 2.730 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.769 3.389 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.712 4.110 6.165 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.868 4.985 5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.763 5.423 8.267 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.914 6.296 7.630 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.861 6.514 8.998 1.00 0.00 H new ATOM 1030 N GLN A 62 11.979 5.523 2.238 1.00 0.00 N ATOM 1031 CA GLN A 62 12.881 6.612 1.852 1.00 0.00 C ATOM 1032 C GLN A 62 12.068 7.863 1.524 1.00 0.00 C ATOM 1033 O GLN A 62 10.901 7.767 1.151 1.00 0.00 O ATOM 1034 CB GLN A 62 13.659 6.207 0.595 1.00 0.00 C ATOM 1035 CG GLN A 62 14.533 4.988 0.876 1.00 0.00 C ATOM 1036 CD GLN A 62 15.196 4.533 -0.411 1.00 0.00 C ATOM 1037 OE1 GLN A 62 16.311 4.955 -0.716 1.00 0.00 O ATOM 1038 NE2 GLN A 62 14.564 3.732 -1.208 1.00 0.00 N ATOM 0 H GLN A 62 12.242 4.613 1.859 1.00 0.00 H new ATOM 0 HA GLN A 62 13.565 6.813 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.963 5.984 -0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.280 7.038 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.290 5.234 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.928 4.182 1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.640 3.383 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.990 3.450 -2.091 1.00 0.00 H new ATOM 1047 N TRP A 63 12.706 9.016 1.546 1.00 0.00 N ATOM 1048 CA TRP A 63 12.013 10.235 1.164 1.00 0.00 C ATOM 1049 C TRP A 63 11.623 10.173 -0.308 1.00 0.00 C ATOM 1050 O TRP A 63 12.486 10.007 -1.178 1.00 0.00 O ATOM 1051 CB TRP A 63 12.883 11.465 1.433 1.00 0.00 C ATOM 1052 CG TRP A 63 12.954 11.711 2.905 1.00 0.00 C ATOM 1053 CD1 TRP A 63 13.879 11.191 3.738 1.00 0.00 C ATOM 1054 CD2 TRP A 63 12.081 12.533 3.727 1.00 0.00 C ATOM 1055 NE1 TRP A 63 13.626 11.641 5.019 1.00 0.00 N ATOM 1056 CE2 TRP A 63 12.529 12.470 5.063 1.00 0.00 C ATOM 1057 CE3 TRP A 63 10.953 13.320 3.443 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 11.884 13.161 6.084 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 10.299 14.018 4.468 1.00 0.00 C ATOM 1060 CH2 TRP A 63 10.765 13.938 5.787 1.00 0.00 C ATOM 0 H TRP A 63 13.682 9.137 1.818 1.00 0.00 H new ATOM 0 HA TRP A 63 11.109 10.322 1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 63 13.884 11.311 1.030 1.00 0.00 H new ATOM 0 HB3 TRP A 63 12.467 12.336 0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 63 14.685 10.532 3.451 1.00 0.00 H new ATOM 0 HE1 TRP A 63 14.185 11.389 5.834 1.00 0.00 H new ATOM 0 HE3 TRP A 63 10.587 13.388 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 12.247 13.096 7.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 9.432 14.620 4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 63 10.258 14.478 6.573 1.00 0.00 H new ATOM 1071 N GLN A 64 10.315 10.246 -0.560 1.00 0.00 N ATOM 1072 CA GLN A 64 9.723 10.152 -1.905 1.00 0.00 C ATOM 1073 C GLN A 64 10.655 9.490 -2.934 1.00 0.00 C ATOM 1074 O GLN A 64 11.097 10.139 -3.879 1.00 0.00 O ATOM 1075 CB GLN A 64 9.267 11.536 -2.400 1.00 0.00 C ATOM 1076 CG GLN A 64 7.902 11.884 -1.790 1.00 0.00 C ATOM 1077 CD GLN A 64 7.242 12.996 -2.597 1.00 0.00 C ATOM 1078 OE1 GLN A 64 6.667 12.721 -3.723 1.00 0.00 O flip ATOM 1079 NE2 GLN A 64 7.254 14.155 -2.181 1.00 0.00 N flip ATOM 0 H GLN A 64 9.620 10.375 0.176 1.00 0.00 H new ATOM 0 HA GLN A 64 8.854 9.501 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.002 12.292 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.201 11.539 -3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.263 11.001 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.026 12.199 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.707 14.374 -1.294 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.811 14.896 -2.724 1.00 0.00 H new ATOM 1088 N PRO A 65 10.850 8.195 -2.836 1.00 0.00 N ATOM 1089 CA PRO A 65 11.661 7.415 -3.840 1.00 0.00 C ATOM 1090 C PRO A 65 10.928 7.304 -5.180 1.00 0.00 C ATOM 1091 O PRO A 65 11.098 6.329 -5.930 1.00 0.00 O ATOM 1092 CB PRO A 65 11.817 6.026 -3.185 1.00 0.00 C ATOM 1093 CG PRO A 65 10.783 5.990 -2.105 1.00 0.00 C ATOM 1094 CD PRO A 65 10.661 7.418 -1.607 1.00 0.00 C ATOM 0 HA PRO A 65 12.616 7.890 -4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.659 5.228 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.819 5.892 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.830 5.626 -2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.081 5.318 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.689 7.608 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.416 7.653 -0.857 1.00 0.00 H new ATOM 1102 N GLU A 66 10.050 8.255 -5.421 1.00 0.00 N ATOM 1103 CA GLU A 66 9.202 8.289 -6.597 1.00 0.00 C ATOM 1104 C GLU A 66 9.649 9.408 -7.538 1.00 0.00 C ATOM 1105 O GLU A 66 8.877 9.794 -8.381 1.00 0.00 O ATOM 1106 CB GLU A 66 7.744 8.519 -6.161 1.00 0.00 C ATOM 1107 CG GLU A 66 7.723 9.121 -4.742 1.00 0.00 C ATOM 1108 CD GLU A 66 6.356 9.654 -4.423 1.00 0.00 C ATOM 1109 OE1 GLU A 66 5.912 10.532 -5.128 1.00 0.00 O ATOM 1110 OE2 GLU A 66 5.762 9.179 -3.487 1.00 0.00 O ATOM 1111 OXT GLU A 66 10.753 9.867 -7.391 1.00 0.00 O ATOM 0 H GLU A 66 9.902 9.044 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 66 9.280 7.340 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.245 9.190 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.195 7.577 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.004 8.361 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.459 9.921 -4.668 1.00 0.00 H new TER 1118 GLU A 66