USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 20 ASN : amide:sc= -1.15 K(o=-4,f=-4.6) USER MOD Set 1.2: A 24 ASN : amide:sc= -2.86 K(o=-4,f=-1.8) USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= -0.162 (180deg=-1.01) USER MOD Single : A 12 GLN : amide:sc= -1.36 K(o=-1.4,f=0.34) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 165:sc= -1.95 USER MOD Single : A 29 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.8!) USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.668 K(o=-0.67,f=-2.2!) USER MOD Single : A 35 ASN : amide:sc= -5.15! C(o=-5.1!,f=-14!) USER MOD Single : A 38 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.99) USER MOD Single : A 44 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -0.175 (180deg=-0.678) USER MOD Single : A 55 MET CE :methyl -120:sc= -0.999 (180deg=-3.86!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.0285 (180deg=-0.648) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -158:sc= -2.66! (180deg=-4.47!) USER MOD Single : A 70 LYS NZ :NH3+ 141:sc= -2.54 (180deg=-5.84!) USER MOD Single : A 75 ASN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 81 MET CE :methyl -147:sc= -1.75 (180deg=-3.07!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 110:sc= -0.764 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 101 HIS : no HE2:sc= -36.2! C(o=-36!,f=-43!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -125:sc= -0.349 (180deg=-1.2!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 2.886 -11.523 -2.587 1.00 0.00 N ATOM 52 CA GLU A 4 2.022 -10.314 -2.701 1.00 0.00 C ATOM 53 C GLU A 4 2.813 -9.079 -2.268 1.00 0.00 C ATOM 54 O GLU A 4 2.538 -8.480 -1.247 1.00 0.00 O ATOM 55 CB GLU A 4 0.796 -10.477 -1.802 1.00 0.00 C ATOM 56 CG GLU A 4 1.204 -11.176 -0.503 1.00 0.00 C ATOM 57 CD GLU A 4 0.543 -12.554 -0.435 1.00 0.00 C ATOM 58 OE1 GLU A 4 -0.671 -12.613 -0.545 1.00 0.00 O ATOM 59 OE2 GLU A 4 1.261 -13.526 -0.275 1.00 0.00 O ATOM 0 HA GLU A 4 1.700 -10.194 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.361 -9.502 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.030 -11.059 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.288 -11.279 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.905 -10.575 0.355 1.00 0.00 H new ATOM 66 N LYS A 5 3.794 -8.691 -3.036 1.00 0.00 N ATOM 67 CA LYS A 5 4.601 -7.494 -2.667 1.00 0.00 C ATOM 68 C LYS A 5 4.183 -6.308 -3.538 1.00 0.00 C ATOM 69 O LYS A 5 4.312 -6.336 -4.746 1.00 0.00 O ATOM 70 CB LYS A 5 6.086 -7.792 -2.889 1.00 0.00 C ATOM 71 CG LYS A 5 6.587 -8.737 -1.797 1.00 0.00 C ATOM 72 CD LYS A 5 6.762 -10.142 -2.377 1.00 0.00 C ATOM 73 CE LYS A 5 8.233 -10.369 -2.732 1.00 0.00 C ATOM 74 NZ LYS A 5 9.053 -10.339 -1.488 1.00 0.00 N ATOM 0 H LYS A 5 4.071 -9.151 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 5 4.432 -7.251 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.234 -8.243 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.660 -6.865 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.535 -8.377 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.879 -8.760 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.432 -10.889 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.140 -10.260 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.353 -11.328 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.574 -9.599 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.836 -11.019 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.438 -9.383 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.458 -10.595 -0.674 1.00 0.00 H new ATOM 88 N ILE A 6 3.681 -5.264 -2.936 1.00 0.00 N ATOM 89 CA ILE A 6 3.255 -4.079 -3.730 1.00 0.00 C ATOM 90 C ILE A 6 4.117 -2.874 -3.348 1.00 0.00 C ATOM 91 O ILE A 6 4.632 -2.789 -2.251 1.00 0.00 O ATOM 92 CB ILE A 6 1.786 -3.768 -3.435 1.00 0.00 C ATOM 93 CG1 ILE A 6 0.938 -5.011 -3.716 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.317 -2.619 -4.328 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.544 -4.635 -3.686 1.00 0.00 C ATOM 0 H ILE A 6 3.548 -5.182 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 6 3.375 -4.291 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 6 1.678 -3.481 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.198 -5.430 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.144 -5.781 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.271 -2.398 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.922 -1.734 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.424 -2.905 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.148 -5.520 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.798 -4.236 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.743 -3.880 -4.447 1.00 0.00 H new ATOM 107 N LEU A 7 4.281 -1.941 -4.246 1.00 0.00 N ATOM 108 CA LEU A 7 5.110 -0.743 -3.934 1.00 0.00 C ATOM 109 C LEU A 7 4.348 0.523 -4.330 1.00 0.00 C ATOM 110 O LEU A 7 4.147 0.798 -5.496 1.00 0.00 O ATOM 111 CB LEU A 7 6.422 -0.815 -4.718 1.00 0.00 C ATOM 112 CG LEU A 7 7.434 0.161 -4.113 1.00 0.00 C ATOM 113 CD1 LEU A 7 6.947 1.596 -4.324 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.573 -0.114 -2.615 1.00 0.00 C ATOM 0 H LEU A 7 3.877 -1.957 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 7 5.325 -0.717 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.819 -1.830 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.246 -0.570 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 7 8.401 0.030 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.667 2.292 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.846 1.793 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.980 1.727 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.294 0.580 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.606 0.018 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.919 -1.137 -2.463 1.00 0.00 H new ATOM 126 N ILE A 8 3.926 1.297 -3.369 1.00 0.00 N ATOM 127 CA ILE A 8 3.178 2.545 -3.692 1.00 0.00 C ATOM 128 C ILE A 8 4.167 3.703 -3.845 1.00 0.00 C ATOM 129 O ILE A 8 4.738 4.176 -2.883 1.00 0.00 O ATOM 130 CB ILE A 8 2.195 2.856 -2.561 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.558 1.554 -2.070 1.00 0.00 C ATOM 132 CG2 ILE A 8 1.101 3.793 -3.076 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.392 1.877 -1.135 1.00 0.00 C ATOM 0 H ILE A 8 4.066 1.120 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 8 2.628 2.412 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 8 2.727 3.336 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.206 0.967 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.299 0.948 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.402 4.014 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.552 4.720 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.568 3.314 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.062 0.950 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.758 2.447 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.352 2.465 -1.672 1.00 0.00 H new ATOM 145 N VAL A 9 4.377 4.161 -5.049 1.00 0.00 N ATOM 146 CA VAL A 9 5.333 5.285 -5.263 1.00 0.00 C ATOM 147 C VAL A 9 4.562 6.603 -5.372 1.00 0.00 C ATOM 148 O VAL A 9 3.768 6.796 -6.270 1.00 0.00 O ATOM 149 CB VAL A 9 6.118 5.047 -6.554 1.00 0.00 C ATOM 150 CG1 VAL A 9 7.389 5.898 -6.544 1.00 0.00 C ATOM 151 CG2 VAL A 9 6.496 3.568 -6.654 1.00 0.00 C ATOM 0 H VAL A 9 3.928 3.806 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 9 6.023 5.338 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 9 5.503 5.325 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.948 5.728 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.121 6.952 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.005 5.621 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.056 3.397 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.111 3.291 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.591 2.961 -6.662 1.00 0.00 H new ATOM 161 N ASP A 10 4.795 7.512 -4.465 1.00 0.00 N ATOM 162 CA ASP A 10 4.079 8.818 -4.517 1.00 0.00 C ATOM 163 C ASP A 10 4.619 9.738 -3.421 1.00 0.00 C ATOM 164 O ASP A 10 5.138 9.288 -2.418 1.00 0.00 O ATOM 165 CB ASP A 10 2.582 8.590 -4.302 1.00 0.00 C ATOM 166 CG ASP A 10 1.797 9.766 -4.885 1.00 0.00 C ATOM 167 OD1 ASP A 10 2.364 10.493 -5.684 1.00 0.00 O ATOM 168 OD2 ASP A 10 0.642 9.920 -4.522 1.00 0.00 O ATOM 0 H ASP A 10 5.450 7.407 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 10 4.238 9.281 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.273 7.660 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.368 8.488 -3.238 1.00 0.00 H new ATOM 173 N ASP A 11 4.505 11.025 -3.603 1.00 0.00 N ATOM 174 CA ASP A 11 5.014 11.972 -2.571 1.00 0.00 C ATOM 175 C ASP A 11 3.834 12.582 -1.811 1.00 0.00 C ATOM 176 O ASP A 11 3.837 12.659 -0.598 1.00 0.00 O ATOM 177 CB ASP A 11 5.813 13.085 -3.251 1.00 0.00 C ATOM 178 CG ASP A 11 4.859 14.023 -3.990 1.00 0.00 C ATOM 179 OD1 ASP A 11 4.376 13.636 -5.043 1.00 0.00 O ATOM 180 OD2 ASP A 11 4.626 15.113 -3.492 1.00 0.00 O ATOM 0 H ASP A 11 4.081 11.462 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 11 5.658 11.437 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.384 13.642 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.531 12.656 -3.950 1.00 0.00 H new ATOM 185 N GLN A 12 2.825 13.017 -2.514 1.00 0.00 N ATOM 186 CA GLN A 12 1.647 13.622 -1.831 1.00 0.00 C ATOM 187 C GLN A 12 1.173 12.694 -0.711 1.00 0.00 C ATOM 188 O GLN A 12 0.939 11.520 -0.922 1.00 0.00 O ATOM 189 CB GLN A 12 0.518 13.820 -2.845 1.00 0.00 C ATOM 190 CG GLN A 12 -0.080 12.462 -3.217 1.00 0.00 C ATOM 191 CD GLN A 12 -1.145 12.651 -4.300 1.00 0.00 C ATOM 192 OE1 GLN A 12 -0.981 12.196 -5.414 1.00 0.00 O ATOM 193 NE2 GLN A 12 -2.236 13.308 -4.017 1.00 0.00 N ATOM 0 H GLN A 12 2.765 12.980 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 12 1.927 14.586 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.253 14.466 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.899 14.318 -3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.703 11.794 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.521 11.994 -2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.373 13.690 -3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.952 13.440 -4.732 1.00 0.00 H new ATOM 202 N TYR A 13 1.033 13.209 0.480 1.00 0.00 N ATOM 203 CA TYR A 13 0.577 12.355 1.613 1.00 0.00 C ATOM 204 C TYR A 13 -0.944 12.205 1.564 1.00 0.00 C ATOM 205 O TYR A 13 -1.639 13.013 0.978 1.00 0.00 O ATOM 206 CB TYR A 13 0.982 13.005 2.937 1.00 0.00 C ATOM 207 CG TYR A 13 1.131 11.940 3.997 1.00 0.00 C ATOM 208 CD1 TYR A 13 2.315 11.199 4.085 1.00 0.00 C ATOM 209 CD2 TYR A 13 0.082 11.695 4.893 1.00 0.00 C ATOM 210 CE1 TYR A 13 2.451 10.212 5.068 1.00 0.00 C ATOM 211 CE2 TYR A 13 0.219 10.707 5.876 1.00 0.00 C ATOM 212 CZ TYR A 13 1.403 9.966 5.964 1.00 0.00 C ATOM 213 OH TYR A 13 1.539 8.992 6.932 1.00 0.00 O ATOM 0 H TYR A 13 1.215 14.184 0.717 1.00 0.00 H new ATOM 0 HA TYR A 13 1.040 11.372 1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.920 13.547 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.230 13.733 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.124 11.389 3.395 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.831 12.268 4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.364 9.640 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.589 10.517 6.566 1.00 0.00 H new ATOM 0 HH TYR A 13 0.722 8.950 7.471 1.00 0.00 H new ATOM 223 N GLY A 14 -1.469 11.177 2.174 1.00 0.00 N ATOM 224 CA GLY A 14 -2.945 10.975 2.161 1.00 0.00 C ATOM 225 C GLY A 14 -3.275 9.678 1.421 1.00 0.00 C ATOM 226 O GLY A 14 -3.706 8.707 2.011 1.00 0.00 O ATOM 0 H GLY A 14 -0.939 10.468 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.326 10.931 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.434 11.819 1.674 1.00 0.00 H new ATOM 230 N ILE A 15 -3.073 9.654 0.133 1.00 0.00 N ATOM 231 CA ILE A 15 -3.372 8.419 -0.646 1.00 0.00 C ATOM 232 C ILE A 15 -2.445 7.293 -0.179 1.00 0.00 C ATOM 233 O ILE A 15 -2.761 6.127 -0.297 1.00 0.00 O ATOM 234 CB ILE A 15 -3.148 8.692 -2.136 1.00 0.00 C ATOM 235 CG1 ILE A 15 -4.325 9.500 -2.686 1.00 0.00 C ATOM 236 CG2 ILE A 15 -3.042 7.368 -2.898 1.00 0.00 C ATOM 237 CD1 ILE A 15 -3.814 10.521 -3.704 1.00 0.00 C ATOM 0 H ILE A 15 -2.714 10.436 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.409 8.123 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.223 9.255 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.049 8.834 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.841 10.009 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.883 7.570 -3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.204 6.790 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.964 6.800 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.653 11.096 -4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.107 11.195 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.317 10.001 -4.523 1.00 0.00 H new ATOM 249 N ARG A 16 -1.304 7.635 0.352 1.00 0.00 N ATOM 250 CA ARG A 16 -0.358 6.586 0.825 1.00 0.00 C ATOM 251 C ARG A 16 -0.983 5.830 1.999 1.00 0.00 C ATOM 252 O ARG A 16 -0.647 4.695 2.269 1.00 0.00 O ATOM 253 CB ARG A 16 0.948 7.243 1.276 1.00 0.00 C ATOM 254 CG ARG A 16 1.419 8.228 0.204 1.00 0.00 C ATOM 255 CD ARG A 16 1.511 7.511 -1.143 1.00 0.00 C ATOM 256 NE ARG A 16 0.463 8.042 -2.060 1.00 0.00 N ATOM 257 CZ ARG A 16 0.248 7.467 -3.213 1.00 0.00 C ATOM 258 NH1 ARG A 16 0.950 6.426 -3.570 1.00 0.00 N ATOM 259 NH2 ARG A 16 -0.672 7.936 -4.012 1.00 0.00 N ATOM 0 H ARG A 16 -0.986 8.596 0.479 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.151 5.889 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.798 7.763 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.710 6.483 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.725 9.066 0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.391 8.640 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.499 7.658 -1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.380 6.438 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.087 8.856 -1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.670 6.058 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.779 5.980 -4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.221 8.750 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.842 7.489 -4.913 1.00 0.00 H new ATOM 273 N ILE A 17 -1.891 6.454 2.699 1.00 0.00 N ATOM 274 CA ILE A 17 -2.539 5.772 3.855 1.00 0.00 C ATOM 275 C ILE A 17 -3.786 5.028 3.372 1.00 0.00 C ATOM 276 O ILE A 17 -4.223 4.071 3.977 1.00 0.00 O ATOM 277 CB ILE A 17 -2.938 6.813 4.901 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.851 7.886 4.994 1.00 0.00 C ATOM 279 CG2 ILE A 17 -3.101 6.135 6.262 1.00 0.00 C ATOM 280 CD1 ILE A 17 -2.303 8.990 5.950 1.00 0.00 C ATOM 0 H ILE A 17 -2.212 7.406 2.520 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.841 5.062 4.298 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.882 7.275 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.919 7.445 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.653 8.304 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.385 6.878 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.876 5.371 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.158 5.672 6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.528 9.754 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.224 9.438 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.479 8.566 6.938 1.00 0.00 H new ATOM 292 N LEU A 18 -4.362 5.464 2.285 1.00 0.00 N ATOM 293 CA LEU A 18 -5.581 4.782 1.763 1.00 0.00 C ATOM 294 C LEU A 18 -5.186 3.451 1.121 1.00 0.00 C ATOM 295 O LEU A 18 -5.749 2.417 1.419 1.00 0.00 O ATOM 296 CB LEU A 18 -6.254 5.673 0.718 1.00 0.00 C ATOM 297 CG LEU A 18 -6.870 6.893 1.406 1.00 0.00 C ATOM 298 CD1 LEU A 18 -7.155 7.978 0.365 1.00 0.00 C ATOM 299 CD2 LEU A 18 -8.177 6.486 2.088 1.00 0.00 C ATOM 0 H LEU A 18 -4.042 6.262 1.736 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.274 4.597 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.525 5.992 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.025 5.113 0.189 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.175 7.279 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.594 8.847 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.224 8.268 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.850 7.593 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.617 7.354 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.872 6.100 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.975 5.714 2.830 1.00 0.00 H new ATOM 311 N LEU A 19 -4.222 3.468 0.241 1.00 0.00 N ATOM 312 CA LEU A 19 -3.794 2.201 -0.417 1.00 0.00 C ATOM 313 C LEU A 19 -3.100 1.304 0.610 1.00 0.00 C ATOM 314 O LEU A 19 -2.987 0.108 0.428 1.00 0.00 O ATOM 315 CB LEU A 19 -2.822 2.519 -1.555 1.00 0.00 C ATOM 316 CG LEU A 19 -3.314 3.747 -2.324 1.00 0.00 C ATOM 317 CD1 LEU A 19 -2.529 3.881 -3.630 1.00 0.00 C ATOM 318 CD2 LEU A 19 -4.803 3.589 -2.640 1.00 0.00 C ATOM 0 H LEU A 19 -3.713 4.303 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.667 1.687 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.825 2.704 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.742 1.665 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.163 4.639 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.880 4.756 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.468 3.994 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.679 2.989 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.154 4.464 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.953 2.696 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.364 3.494 -1.710 1.00 0.00 H new ATOM 330 N ASN A 20 -2.634 1.872 1.689 1.00 0.00 N ATOM 331 CA ASN A 20 -1.948 1.052 2.727 1.00 0.00 C ATOM 332 C ASN A 20 -2.991 0.291 3.548 1.00 0.00 C ATOM 333 O ASN A 20 -2.982 -0.922 3.610 1.00 0.00 O ATOM 334 CB ASN A 20 -1.143 1.968 3.650 1.00 0.00 C ATOM 335 CG ASN A 20 -0.464 1.132 4.735 1.00 0.00 C ATOM 336 OD1 ASN A 20 -0.105 -0.006 4.506 1.00 0.00 O ATOM 337 ND2 ASN A 20 -0.272 1.651 5.918 1.00 0.00 N ATOM 0 H ASN A 20 -2.699 2.869 1.896 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.277 0.342 2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.395 2.514 3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.799 2.710 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.179 1.101 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.573 2.606 6.111 1.00 0.00 H new ATOM 344 N GLU A 21 -3.891 0.994 4.179 1.00 0.00 N ATOM 345 CA GLU A 21 -4.933 0.310 4.995 1.00 0.00 C ATOM 346 C GLU A 21 -5.746 -0.629 4.102 1.00 0.00 C ATOM 347 O GLU A 21 -5.974 -1.775 4.435 1.00 0.00 O ATOM 348 CB GLU A 21 -5.862 1.356 5.615 1.00 0.00 C ATOM 349 CG GLU A 21 -5.138 2.069 6.760 1.00 0.00 C ATOM 350 CD GLU A 21 -6.161 2.553 7.789 1.00 0.00 C ATOM 351 OE1 GLU A 21 -7.148 1.862 7.984 1.00 0.00 O ATOM 352 OE2 GLU A 21 -5.940 3.607 8.362 1.00 0.00 O ATOM 0 H GLU A 21 -3.950 2.012 4.165 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.454 -0.266 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.169 2.079 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.769 0.878 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.425 1.392 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.568 2.914 6.374 1.00 0.00 H new ATOM 359 N VAL A 22 -6.187 -0.153 2.970 1.00 0.00 N ATOM 360 CA VAL A 22 -6.986 -1.020 2.057 1.00 0.00 C ATOM 361 C VAL A 22 -6.177 -2.268 1.703 1.00 0.00 C ATOM 362 O VAL A 22 -6.606 -3.383 1.928 1.00 0.00 O ATOM 363 CB VAL A 22 -7.316 -0.246 0.779 1.00 0.00 C ATOM 364 CG1 VAL A 22 -8.288 -1.062 -0.075 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.963 1.092 1.147 1.00 0.00 C ATOM 0 H VAL A 22 -6.029 0.798 2.638 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.911 -1.315 2.552 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.400 -0.066 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.523 -0.511 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.830 -2.016 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.204 -1.241 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.199 1.645 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.879 0.911 1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.272 1.675 1.757 1.00 0.00 H new ATOM 375 N PHE A 23 -5.008 -2.093 1.148 1.00 0.00 N ATOM 376 CA PHE A 23 -4.174 -3.271 0.780 1.00 0.00 C ATOM 377 C PHE A 23 -3.622 -3.926 2.049 1.00 0.00 C ATOM 378 O PHE A 23 -2.975 -4.953 1.997 1.00 0.00 O ATOM 379 CB PHE A 23 -3.011 -2.815 -0.105 1.00 0.00 C ATOM 380 CG PHE A 23 -3.554 -2.250 -1.396 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.595 -2.904 -2.064 1.00 0.00 C ATOM 382 CD2 PHE A 23 -3.015 -1.070 -1.924 1.00 0.00 C ATOM 383 CE1 PHE A 23 -5.097 -2.380 -3.262 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.516 -0.546 -3.121 1.00 0.00 C ATOM 385 CZ PHE A 23 -4.558 -1.201 -3.790 1.00 0.00 C ATOM 0 H PHE A 23 -4.595 -1.185 0.934 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.785 -3.992 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.419 -2.061 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.347 -3.654 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.012 -3.813 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.213 -0.564 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.900 -2.885 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.099 0.363 -3.529 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.946 -0.796 -4.713 1.00 0.00 H new ATOM 395 N ASN A 24 -3.873 -3.340 3.189 1.00 0.00 N ATOM 396 CA ASN A 24 -3.361 -3.932 4.458 1.00 0.00 C ATOM 397 C ASN A 24 -4.305 -5.044 4.919 1.00 0.00 C ATOM 398 O ASN A 24 -3.899 -6.170 5.128 1.00 0.00 O ATOM 399 CB ASN A 24 -3.286 -2.846 5.533 1.00 0.00 C ATOM 400 CG ASN A 24 -1.833 -2.401 5.709 1.00 0.00 C ATOM 401 OD1 ASN A 24 -1.425 -2.033 6.793 1.00 0.00 O ATOM 402 ND2 ASN A 24 -1.029 -2.418 4.682 1.00 0.00 N ATOM 0 H ASN A 24 -4.409 -2.479 3.296 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.367 -4.346 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.906 -1.996 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.678 -3.226 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.059 -2.123 4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.371 -2.727 3.772 1.00 0.00 H new ATOM 409 N LYS A 25 -5.563 -4.736 5.082 1.00 0.00 N ATOM 410 CA LYS A 25 -6.532 -5.776 5.532 1.00 0.00 C ATOM 411 C LYS A 25 -6.821 -6.737 4.378 1.00 0.00 C ATOM 412 O LYS A 25 -6.820 -7.941 4.544 1.00 0.00 O ATOM 413 CB LYS A 25 -7.833 -5.103 5.974 1.00 0.00 C ATOM 414 CG LYS A 25 -7.960 -5.188 7.496 1.00 0.00 C ATOM 415 CD LYS A 25 -6.799 -4.434 8.149 1.00 0.00 C ATOM 416 CE LYS A 25 -6.901 -4.557 9.670 1.00 0.00 C ATOM 417 NZ LYS A 25 -6.417 -3.298 10.304 1.00 0.00 N ATOM 0 H LYS A 25 -5.961 -3.811 4.923 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.108 -6.331 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.842 -4.061 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.686 -5.589 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.910 -4.761 7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.955 -6.231 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.848 -4.840 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.823 -3.384 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.933 -4.750 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.308 -5.403 10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.486 -3.381 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.426 -3.133 10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.001 -2.500 9.981 1.00 0.00 H new ATOM 431 N GLU A 26 -7.069 -6.217 3.207 1.00 0.00 N ATOM 432 CA GLU A 26 -7.358 -7.102 2.044 1.00 0.00 C ATOM 433 C GLU A 26 -6.368 -8.268 2.032 1.00 0.00 C ATOM 434 O GLU A 26 -6.704 -9.376 1.665 1.00 0.00 O ATOM 435 CB GLU A 26 -7.221 -6.301 0.746 1.00 0.00 C ATOM 436 CG GLU A 26 -8.363 -6.667 -0.203 1.00 0.00 C ATOM 437 CD GLU A 26 -8.519 -5.574 -1.261 1.00 0.00 C ATOM 438 OE1 GLU A 26 -8.468 -4.410 -0.895 1.00 0.00 O ATOM 439 OE2 GLU A 26 -8.683 -5.917 -2.419 1.00 0.00 O ATOM 0 H GLU A 26 -7.084 -5.217 3.006 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.374 -7.489 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.242 -5.233 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.261 -6.513 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.159 -7.625 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.292 -6.782 0.356 1.00 0.00 H new ATOM 446 N GLY A 27 -5.149 -8.027 2.430 1.00 0.00 N ATOM 447 CA GLY A 27 -4.138 -9.123 2.441 1.00 0.00 C ATOM 448 C GLY A 27 -3.037 -8.816 1.425 1.00 0.00 C ATOM 449 O GLY A 27 -2.747 -9.607 0.551 1.00 0.00 O ATOM 0 H GLY A 27 -4.809 -7.119 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.709 -9.225 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.614 -10.073 2.200 1.00 0.00 H new ATOM 453 N TYR A 28 -2.421 -7.671 1.533 1.00 0.00 N ATOM 454 CA TYR A 28 -1.338 -7.314 0.572 1.00 0.00 C ATOM 455 C TYR A 28 -0.238 -6.544 1.306 1.00 0.00 C ATOM 456 O TYR A 28 -0.506 -5.649 2.083 1.00 0.00 O ATOM 457 CB TYR A 28 -1.914 -6.440 -0.544 1.00 0.00 C ATOM 458 CG TYR A 28 -3.025 -7.185 -1.245 1.00 0.00 C ATOM 459 CD1 TYR A 28 -4.269 -7.334 -0.623 1.00 0.00 C ATOM 460 CD2 TYR A 28 -2.810 -7.725 -2.519 1.00 0.00 C ATOM 461 CE1 TYR A 28 -5.299 -8.023 -1.274 1.00 0.00 C ATOM 462 CE2 TYR A 28 -3.839 -8.415 -3.169 1.00 0.00 C ATOM 463 CZ TYR A 28 -5.084 -8.564 -2.546 1.00 0.00 C ATOM 464 OH TYR A 28 -6.099 -9.244 -3.187 1.00 0.00 O ATOM 0 H TYR A 28 -2.620 -6.967 2.244 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.920 -8.224 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.293 -5.506 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.131 -6.178 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.435 -6.917 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.850 -7.609 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.260 -8.137 -0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.673 -8.833 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.877 -9.344 -4.136 1.00 0.00 H new ATOM 474 N GLN A 29 0.998 -6.883 1.064 1.00 0.00 N ATOM 475 CA GLN A 29 2.114 -6.169 1.746 1.00 0.00 C ATOM 476 C GLN A 29 2.618 -5.038 0.847 1.00 0.00 C ATOM 477 O GLN A 29 3.608 -5.174 0.157 1.00 0.00 O ATOM 478 CB GLN A 29 3.256 -7.150 2.021 1.00 0.00 C ATOM 479 CG GLN A 29 2.695 -8.422 2.659 1.00 0.00 C ATOM 480 CD GLN A 29 2.454 -8.182 4.150 1.00 0.00 C ATOM 481 OE1 GLN A 29 2.533 -7.063 4.619 1.00 0.00 O ATOM 482 NE2 GLN A 29 2.160 -9.193 4.923 1.00 0.00 N ATOM 0 H GLN A 29 1.284 -7.624 0.423 1.00 0.00 H new ATOM 0 HA GLN A 29 1.758 -5.754 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.772 -7.394 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.991 -6.692 2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.763 -8.706 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.392 -9.249 2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.093 -10.132 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.997 -9.043 5.919 1.00 0.00 H new ATOM 491 N THR A 30 1.942 -3.922 0.849 1.00 0.00 N ATOM 492 CA THR A 30 2.382 -2.784 -0.007 1.00 0.00 C ATOM 493 C THR A 30 3.353 -1.899 0.777 1.00 0.00 C ATOM 494 O THR A 30 3.327 -1.856 1.991 1.00 0.00 O ATOM 495 CB THR A 30 1.162 -1.958 -0.423 1.00 0.00 C ATOM 496 OG1 THR A 30 0.792 -1.095 0.643 1.00 0.00 O ATOM 497 CG2 THR A 30 -0.001 -2.893 -0.753 1.00 0.00 C ATOM 0 H THR A 30 1.105 -3.749 1.406 1.00 0.00 H new ATOM 0 HA THR A 30 2.881 -3.171 -0.896 1.00 0.00 H new ATOM 0 HB THR A 30 1.407 -1.364 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.137 -0.808 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.869 -2.304 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.285 -3.554 -1.571 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.249 -3.489 0.125 1.00 0.00 H new ATOM 505 N PHE A 31 4.210 -1.193 0.092 1.00 0.00 N ATOM 506 CA PHE A 31 5.183 -0.312 0.798 1.00 0.00 C ATOM 507 C PHE A 31 4.939 1.143 0.389 1.00 0.00 C ATOM 508 O PHE A 31 3.972 1.458 -0.275 1.00 0.00 O ATOM 509 CB PHE A 31 6.608 -0.716 0.416 1.00 0.00 C ATOM 510 CG PHE A 31 7.021 -1.924 1.223 1.00 0.00 C ATOM 511 CD1 PHE A 31 6.242 -3.087 1.192 1.00 0.00 C ATOM 512 CD2 PHE A 31 8.184 -1.881 2.001 1.00 0.00 C ATOM 513 CE1 PHE A 31 6.626 -4.206 1.939 1.00 0.00 C ATOM 514 CE2 PHE A 31 8.568 -3.001 2.749 1.00 0.00 C ATOM 515 CZ PHE A 31 7.788 -4.164 2.718 1.00 0.00 C ATOM 0 H PHE A 31 4.279 -1.188 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 31 5.053 -0.415 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.661 -0.941 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.294 0.111 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.345 -3.120 0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.785 -0.984 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.025 -5.103 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.465 -2.968 3.349 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.083 -5.028 3.295 1.00 0.00 H new ATOM 525 N GLN A 32 5.810 2.032 0.781 1.00 0.00 N ATOM 526 CA GLN A 32 5.628 3.465 0.415 1.00 0.00 C ATOM 527 C GLN A 32 6.931 4.012 -0.171 1.00 0.00 C ATOM 528 O GLN A 32 8.012 3.613 0.214 1.00 0.00 O ATOM 529 CB GLN A 32 5.255 4.267 1.664 1.00 0.00 C ATOM 530 CG GLN A 32 3.732 4.310 1.807 1.00 0.00 C ATOM 531 CD GLN A 32 3.364 4.812 3.204 1.00 0.00 C ATOM 532 OE1 GLN A 32 4.213 4.923 4.066 1.00 0.00 O ATOM 533 NE2 GLN A 32 2.125 5.125 3.466 1.00 0.00 N ATOM 0 H GLN A 32 6.639 1.828 1.339 1.00 0.00 H new ATOM 0 HA GLN A 32 4.832 3.552 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.701 3.812 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.653 5.279 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.303 4.966 1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.313 3.317 1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.412 5.032 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.870 5.463 4.394 1.00 0.00 H new ATOM 542 N ALA A 33 6.838 4.923 -1.101 1.00 0.00 N ATOM 543 CA ALA A 33 8.071 5.495 -1.712 1.00 0.00 C ATOM 544 C ALA A 33 7.775 6.900 -2.237 1.00 0.00 C ATOM 545 O ALA A 33 6.713 7.447 -2.012 1.00 0.00 O ATOM 546 CB ALA A 33 8.528 4.603 -2.867 1.00 0.00 C ATOM 0 H ALA A 33 5.961 5.296 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 33 8.859 5.547 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.430 5.021 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.739 3.602 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.741 4.550 -3.619 1.00 0.00 H new ATOM 552 N ALA A 34 8.706 7.491 -2.937 1.00 0.00 N ATOM 553 CA ALA A 34 8.477 8.861 -3.475 1.00 0.00 C ATOM 554 C ALA A 34 9.198 9.010 -4.816 1.00 0.00 C ATOM 555 O ALA A 34 8.635 8.768 -5.865 1.00 0.00 O ATOM 556 CB ALA A 34 9.020 9.895 -2.487 1.00 0.00 C ATOM 0 H ALA A 34 9.614 7.084 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 34 7.408 9.021 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.852 10.897 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.506 9.790 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.089 9.735 -2.344 1.00 0.00 H new ATOM 562 N ASN A 35 10.441 9.405 -4.790 1.00 0.00 N ATOM 563 CA ASN A 35 11.197 9.568 -6.063 1.00 0.00 C ATOM 564 C ASN A 35 11.379 8.201 -6.727 1.00 0.00 C ATOM 565 O ASN A 35 11.647 7.214 -6.073 1.00 0.00 O ATOM 566 CB ASN A 35 12.570 10.178 -5.768 1.00 0.00 C ATOM 567 CG ASN A 35 13.326 9.280 -4.787 1.00 0.00 C ATOM 568 OD1 ASN A 35 12.725 8.588 -3.990 1.00 0.00 O ATOM 569 ND2 ASN A 35 14.631 9.262 -4.811 1.00 0.00 N ATOM 0 H ASN A 35 10.965 9.622 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 35 10.643 10.227 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.138 10.285 -6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.453 11.177 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.145 8.667 -4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.137 9.843 -5.480 1.00 0.00 H new ATOM 576 N GLY A 36 11.234 8.138 -8.023 1.00 0.00 N ATOM 577 CA GLY A 36 11.398 6.834 -8.728 1.00 0.00 C ATOM 578 C GLY A 36 12.628 6.109 -8.180 1.00 0.00 C ATOM 579 O GLY A 36 12.656 4.898 -8.085 1.00 0.00 O ATOM 0 H GLY A 36 11.009 8.931 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.509 6.219 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.508 6.999 -9.800 1.00 0.00 H new ATOM 583 N LEU A 37 13.647 6.839 -7.818 1.00 0.00 N ATOM 584 CA LEU A 37 14.874 6.190 -7.277 1.00 0.00 C ATOM 585 C LEU A 37 14.487 5.225 -6.155 1.00 0.00 C ATOM 586 O LEU A 37 14.847 4.065 -6.169 1.00 0.00 O ATOM 587 CB LEU A 37 15.816 7.262 -6.726 1.00 0.00 C ATOM 588 CG LEU A 37 16.993 7.450 -7.685 1.00 0.00 C ATOM 589 CD1 LEU A 37 16.466 7.808 -9.076 1.00 0.00 C ATOM 590 CD2 LEU A 37 17.890 8.580 -7.176 1.00 0.00 C ATOM 0 H LEU A 37 13.683 7.857 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 37 15.376 5.639 -8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.280 8.203 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.179 6.970 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 37 17.567 6.525 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.305 7.942 -9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.826 7.005 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.892 8.733 -9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.729 8.714 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.315 9.504 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.266 8.327 -6.185 1.00 0.00 H new ATOM 602 N GLN A 38 13.755 5.695 -5.182 1.00 0.00 N ATOM 603 CA GLN A 38 13.346 4.805 -4.060 1.00 0.00 C ATOM 604 C GLN A 38 12.505 3.650 -4.607 1.00 0.00 C ATOM 605 O GLN A 38 12.768 2.495 -4.336 1.00 0.00 O ATOM 606 CB GLN A 38 12.519 5.603 -3.050 1.00 0.00 C ATOM 607 CG GLN A 38 12.864 5.145 -1.632 1.00 0.00 C ATOM 608 CD GLN A 38 14.336 5.444 -1.343 1.00 0.00 C ATOM 609 OE1 GLN A 38 14.669 6.507 -0.858 1.00 0.00 O ATOM 610 NE2 GLN A 38 15.239 4.544 -1.623 1.00 0.00 N ATOM 0 H GLN A 38 13.423 6.657 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 38 14.235 4.408 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.722 6.668 -3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.455 5.460 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.229 5.657 -0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.671 4.077 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.960 3.651 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.223 4.733 -1.435 1.00 0.00 H new ATOM 619 N ALA A 39 11.494 3.952 -5.376 1.00 0.00 N ATOM 620 CA ALA A 39 10.638 2.872 -5.940 1.00 0.00 C ATOM 621 C ALA A 39 11.522 1.734 -6.455 1.00 0.00 C ATOM 622 O ALA A 39 11.209 0.572 -6.298 1.00 0.00 O ATOM 623 CB ALA A 39 9.806 3.432 -7.095 1.00 0.00 C ATOM 0 H ALA A 39 11.225 4.900 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 39 9.974 2.493 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.179 2.642 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.175 4.242 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.470 3.812 -7.871 1.00 0.00 H new ATOM 629 N LEU A 40 12.626 2.062 -7.070 1.00 0.00 N ATOM 630 CA LEU A 40 13.530 0.998 -7.594 1.00 0.00 C ATOM 631 C LEU A 40 14.231 0.302 -6.426 1.00 0.00 C ATOM 632 O LEU A 40 14.360 -0.905 -6.398 1.00 0.00 O ATOM 633 CB LEU A 40 14.576 1.629 -8.516 1.00 0.00 C ATOM 634 CG LEU A 40 13.873 2.388 -9.642 1.00 0.00 C ATOM 635 CD1 LEU A 40 14.906 3.176 -10.450 1.00 0.00 C ATOM 636 CD2 LEU A 40 13.162 1.392 -10.561 1.00 0.00 C ATOM 0 H LEU A 40 12.941 3.019 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 40 12.946 0.267 -8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.214 2.307 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.222 0.856 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 40 13.143 3.076 -9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.405 3.717 -11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.415 3.885 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.636 2.488 -10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.660 1.932 -11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.893 0.704 -10.987 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.426 0.829 -9.987 1.00 0.00 H new ATOM 648 N ASP A 41 14.685 1.054 -5.461 1.00 0.00 N ATOM 649 CA ASP A 41 15.378 0.435 -4.297 1.00 0.00 C ATOM 650 C ASP A 41 14.485 -0.648 -3.688 1.00 0.00 C ATOM 651 O ASP A 41 14.865 -1.798 -3.588 1.00 0.00 O ATOM 652 CB ASP A 41 15.668 1.508 -3.246 1.00 0.00 C ATOM 653 CG ASP A 41 16.277 0.854 -2.003 1.00 0.00 C ATOM 654 OD1 ASP A 41 16.917 -0.173 -2.152 1.00 0.00 O ATOM 655 OD2 ASP A 41 16.091 1.392 -0.925 1.00 0.00 O ATOM 0 H ASP A 41 14.606 2.070 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 41 16.316 -0.012 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.353 2.253 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.749 2.031 -2.982 1.00 0.00 H new ATOM 660 N ILE A 42 13.298 -0.291 -3.278 1.00 0.00 N ATOM 661 CA ILE A 42 12.383 -1.299 -2.675 1.00 0.00 C ATOM 662 C ILE A 42 12.062 -2.381 -3.710 1.00 0.00 C ATOM 663 O ILE A 42 11.876 -3.534 -3.377 1.00 0.00 O ATOM 664 CB ILE A 42 11.087 -0.613 -2.236 1.00 0.00 C ATOM 665 CG1 ILE A 42 11.362 0.249 -1.003 1.00 0.00 C ATOM 666 CG2 ILE A 42 10.039 -1.673 -1.892 1.00 0.00 C ATOM 667 CD1 ILE A 42 11.107 1.719 -1.339 1.00 0.00 C ATOM 0 H ILE A 42 12.923 0.656 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 42 12.864 -1.755 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 42 10.716 0.015 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.721 -0.063 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 42 12.392 0.114 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.116 -1.184 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.844 -2.290 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.409 -2.301 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.303 2.333 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.767 2.026 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.069 1.847 -1.647 1.00 0.00 H new ATOM 679 N VAL A 43 11.996 -2.017 -4.962 1.00 0.00 N ATOM 680 CA VAL A 43 11.688 -3.026 -6.014 1.00 0.00 C ATOM 681 C VAL A 43 12.838 -4.031 -6.109 1.00 0.00 C ATOM 682 O VAL A 43 12.663 -5.149 -6.551 1.00 0.00 O ATOM 683 CB VAL A 43 11.512 -2.321 -7.360 1.00 0.00 C ATOM 684 CG1 VAL A 43 11.487 -3.361 -8.482 1.00 0.00 C ATOM 685 CG2 VAL A 43 10.195 -1.543 -7.359 1.00 0.00 C ATOM 0 H VAL A 43 12.142 -1.066 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 43 10.768 -3.551 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 43 12.342 -1.633 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.362 -2.859 -9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.424 -3.917 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.657 -4.049 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.069 -1.040 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.366 -2.232 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.211 -0.802 -6.560 1.00 0.00 H new ATOM 695 N THR A 44 14.014 -3.641 -5.700 1.00 0.00 N ATOM 696 CA THR A 44 15.173 -4.574 -5.768 1.00 0.00 C ATOM 697 C THR A 44 15.268 -5.368 -4.463 1.00 0.00 C ATOM 698 O THR A 44 15.712 -6.499 -4.445 1.00 0.00 O ATOM 699 CB THR A 44 16.462 -3.772 -5.971 1.00 0.00 C ATOM 700 OG1 THR A 44 16.223 -2.724 -6.899 1.00 0.00 O ATOM 701 CG2 THR A 44 17.559 -4.692 -6.507 1.00 0.00 C ATOM 0 H THR A 44 14.222 -2.717 -5.322 1.00 0.00 H new ATOM 0 HA THR A 44 15.036 -5.262 -6.602 1.00 0.00 H new ATOM 0 HB THR A 44 16.781 -3.349 -5.019 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.733 -2.000 -6.456 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.476 -4.120 -6.651 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.741 -5.495 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.244 -5.118 -7.460 1.00 0.00 H new ATOM 709 N LYS A 45 14.853 -4.785 -3.372 1.00 0.00 N ATOM 710 CA LYS A 45 14.921 -5.508 -2.070 1.00 0.00 C ATOM 711 C LYS A 45 13.619 -6.281 -1.845 1.00 0.00 C ATOM 712 O LYS A 45 13.500 -7.057 -0.918 1.00 0.00 O ATOM 713 CB LYS A 45 15.119 -4.500 -0.936 1.00 0.00 C ATOM 714 CG LYS A 45 13.824 -3.713 -0.719 1.00 0.00 C ATOM 715 CD LYS A 45 13.181 -4.143 0.602 1.00 0.00 C ATOM 716 CE LYS A 45 14.002 -3.597 1.771 1.00 0.00 C ATOM 717 NZ LYS A 45 14.659 -4.727 2.488 1.00 0.00 N ATOM 0 H LYS A 45 14.470 -3.841 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 45 15.758 -6.206 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.400 -5.019 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.934 -3.819 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.034 -2.644 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.136 -3.890 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.158 -3.772 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.129 -5.230 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.754 -2.898 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.358 -3.044 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.757 -4.489 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.079 -5.585 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.600 -4.897 2.079 1.00 0.00 H new ATOM 731 N GLU A 46 12.642 -6.076 -2.685 1.00 0.00 N ATOM 732 CA GLU A 46 11.350 -6.799 -2.516 1.00 0.00 C ATOM 733 C GLU A 46 10.915 -7.387 -3.860 1.00 0.00 C ATOM 734 O GLU A 46 10.365 -8.467 -3.927 1.00 0.00 O ATOM 735 CB GLU A 46 10.281 -5.825 -2.016 1.00 0.00 C ATOM 736 CG GLU A 46 10.746 -5.182 -0.709 1.00 0.00 C ATOM 737 CD GLU A 46 9.530 -4.774 0.122 1.00 0.00 C ATOM 738 OE1 GLU A 46 8.844 -5.660 0.607 1.00 0.00 O ATOM 739 OE2 GLU A 46 9.303 -3.583 0.260 1.00 0.00 O ATOM 0 H GLU A 46 12.682 -5.439 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 46 11.476 -7.603 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.096 -5.056 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.339 -6.351 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.365 -5.882 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.364 -4.309 -0.921 1.00 0.00 H new ATOM 746 N ARG A 47 11.159 -6.683 -4.932 1.00 0.00 N ATOM 747 CA ARG A 47 10.760 -7.203 -6.271 1.00 0.00 C ATOM 748 C ARG A 47 9.260 -7.514 -6.271 1.00 0.00 C ATOM 749 O ARG A 47 8.867 -8.656 -6.402 1.00 0.00 O ATOM 750 CB ARG A 47 11.547 -8.479 -6.578 1.00 0.00 C ATOM 751 CG ARG A 47 13.046 -8.184 -6.507 1.00 0.00 C ATOM 752 CD ARG A 47 13.704 -9.121 -5.493 1.00 0.00 C ATOM 753 NE ARG A 47 15.180 -9.113 -5.692 1.00 0.00 N ATOM 754 CZ ARG A 47 15.714 -9.790 -6.673 1.00 0.00 C ATOM 755 NH1 ARG A 47 14.957 -10.479 -7.485 1.00 0.00 N ATOM 756 NH2 ARG A 47 17.008 -9.779 -6.844 1.00 0.00 N ATOM 0 H ARG A 47 11.617 -5.772 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 47 10.975 -6.453 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.285 -9.261 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.285 -8.851 -7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.500 -8.317 -7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.210 -7.146 -6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.462 -8.804 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.316 -10.133 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 47 15.775 -8.577 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.946 -10.489 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.378 -11.007 -8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.601 -9.242 -6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.426 -10.307 -7.610 1.00 0.00 H new ATOM 770 N PRO A 48 8.468 -6.484 -6.122 1.00 0.00 N ATOM 771 CA PRO A 48 7.000 -6.606 -6.099 1.00 0.00 C ATOM 772 C PRO A 48 6.456 -6.774 -7.521 1.00 0.00 C ATOM 773 O PRO A 48 7.064 -6.349 -8.483 1.00 0.00 O ATOM 774 CB PRO A 48 6.539 -5.279 -5.491 1.00 0.00 C ATOM 775 CG PRO A 48 7.687 -4.269 -5.724 1.00 0.00 C ATOM 776 CD PRO A 48 8.963 -5.100 -5.962 1.00 0.00 C ATOM 0 HA PRO A 48 6.650 -7.471 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.618 -4.935 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.330 -5.391 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.474 -3.632 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.807 -3.613 -4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.498 -4.763 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.654 -5.018 -5.123 1.00 0.00 H new ATOM 784 N ASP A 49 5.315 -7.392 -7.660 1.00 0.00 N ATOM 785 CA ASP A 49 4.734 -7.587 -9.018 1.00 0.00 C ATOM 786 C ASP A 49 3.788 -6.428 -9.339 1.00 0.00 C ATOM 787 O ASP A 49 3.383 -6.238 -10.469 1.00 0.00 O ATOM 788 CB ASP A 49 3.959 -8.905 -9.057 1.00 0.00 C ATOM 789 CG ASP A 49 4.936 -10.068 -9.223 1.00 0.00 C ATOM 790 OD1 ASP A 49 6.032 -9.977 -8.694 1.00 0.00 O ATOM 791 OD2 ASP A 49 4.574 -11.033 -9.877 1.00 0.00 O ATOM 0 H ASP A 49 4.760 -7.770 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 49 5.536 -7.616 -9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.384 -9.028 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.246 -8.895 -9.881 1.00 0.00 H new ATOM 796 N LEU A 50 3.432 -5.650 -8.353 1.00 0.00 N ATOM 797 CA LEU A 50 2.512 -4.505 -8.602 1.00 0.00 C ATOM 798 C LEU A 50 3.202 -3.200 -8.200 1.00 0.00 C ATOM 799 O LEU A 50 3.531 -2.990 -7.050 1.00 0.00 O ATOM 800 CB LEU A 50 1.238 -4.684 -7.776 1.00 0.00 C ATOM 801 CG LEU A 50 0.017 -4.388 -8.648 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.287 -5.600 -9.532 1.00 0.00 C ATOM 803 CD2 LEU A 50 -1.190 -4.096 -7.753 1.00 0.00 C ATOM 0 H LEU A 50 3.739 -5.758 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 50 2.255 -4.469 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.183 -5.701 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.254 -4.016 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 50 0.223 -3.522 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.157 -5.388 -10.153 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.572 -5.810 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.492 -6.467 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.061 -3.885 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.394 -4.962 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.976 -3.233 -7.123 1.00 0.00 H new ATOM 815 N VAL A 51 3.425 -2.322 -9.140 1.00 0.00 N ATOM 816 CA VAL A 51 4.094 -1.032 -8.809 1.00 0.00 C ATOM 817 C VAL A 51 3.186 0.132 -9.211 1.00 0.00 C ATOM 818 O VAL A 51 2.787 0.255 -10.353 1.00 0.00 O ATOM 819 CB VAL A 51 5.417 -0.935 -9.571 1.00 0.00 C ATOM 820 CG1 VAL A 51 6.153 0.340 -9.157 1.00 0.00 C ATOM 821 CG2 VAL A 51 6.284 -2.152 -9.243 1.00 0.00 C ATOM 0 H VAL A 51 3.173 -2.442 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 51 4.288 -0.987 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 51 5.217 -0.908 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.096 0.409 -9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.536 1.208 -9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.353 0.313 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.227 -2.084 -9.786 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.483 -2.179 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.761 -3.062 -9.538 1.00 0.00 H new ATOM 831 N LEU A 52 2.858 0.988 -8.284 1.00 0.00 N ATOM 832 CA LEU A 52 1.977 2.144 -8.614 1.00 0.00 C ATOM 833 C LEU A 52 2.835 3.392 -8.833 1.00 0.00 C ATOM 834 O LEU A 52 3.563 3.818 -7.957 1.00 0.00 O ATOM 835 CB LEU A 52 1.004 2.390 -7.459 1.00 0.00 C ATOM 836 CG LEU A 52 0.340 1.071 -7.062 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.747 0.703 -5.634 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.181 1.225 -7.133 1.00 0.00 C ATOM 0 H LEU A 52 3.162 0.938 -7.312 1.00 0.00 H new ATOM 0 HA LEU A 52 1.415 1.925 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.535 2.813 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.247 3.116 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 52 0.660 0.284 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.273 -0.237 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.830 0.594 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.428 1.490 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.655 0.285 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.499 2.012 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.473 1.487 -8.150 1.00 0.00 H new ATOM 850 N LEU A 53 2.757 3.981 -9.994 1.00 0.00 N ATOM 851 CA LEU A 53 3.570 5.200 -10.266 1.00 0.00 C ATOM 852 C LEU A 53 2.653 6.425 -10.318 1.00 0.00 C ATOM 853 O LEU A 53 1.726 6.485 -11.102 1.00 0.00 O ATOM 854 CB LEU A 53 4.288 5.045 -11.608 1.00 0.00 C ATOM 855 CG LEU A 53 5.798 4.988 -11.375 1.00 0.00 C ATOM 856 CD1 LEU A 53 6.128 3.825 -10.438 1.00 0.00 C ATOM 857 CD2 LEU A 53 6.511 4.782 -12.713 1.00 0.00 C ATOM 0 H LEU A 53 2.166 3.672 -10.766 1.00 0.00 H new ATOM 0 HA LEU A 53 4.306 5.330 -9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.952 4.137 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.042 5.881 -12.263 1.00 0.00 H new ATOM 0 HG LEU A 53 6.131 5.923 -10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.205 3.785 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.620 3.970 -9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.795 2.890 -10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.588 4.741 -12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.177 3.847 -13.163 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.277 5.611 -13.381 1.00 0.00 H new ATOM 869 N ASP A 54 2.904 7.399 -9.488 1.00 0.00 N ATOM 870 CA ASP A 54 2.047 8.619 -9.491 1.00 0.00 C ATOM 871 C ASP A 54 2.718 9.710 -10.327 1.00 0.00 C ATOM 872 O ASP A 54 3.740 10.250 -9.955 1.00 0.00 O ATOM 873 CB ASP A 54 1.863 9.116 -8.056 1.00 0.00 C ATOM 874 CG ASP A 54 0.658 10.056 -7.991 1.00 0.00 C ATOM 875 OD1 ASP A 54 0.064 10.298 -9.030 1.00 0.00 O ATOM 876 OD2 ASP A 54 0.349 10.518 -6.906 1.00 0.00 O ATOM 0 H ASP A 54 3.664 7.404 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 54 1.074 8.379 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.715 8.271 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.761 9.636 -7.722 1.00 0.00 H new ATOM 881 N MET A 55 2.151 10.039 -11.455 1.00 0.00 N ATOM 882 CA MET A 55 2.756 11.096 -12.315 1.00 0.00 C ATOM 883 C MET A 55 2.486 12.473 -11.702 1.00 0.00 C ATOM 884 O MET A 55 2.898 13.487 -12.230 1.00 0.00 O ATOM 885 CB MET A 55 2.141 11.029 -13.714 1.00 0.00 C ATOM 886 CG MET A 55 2.319 9.621 -14.285 1.00 0.00 C ATOM 887 SD MET A 55 4.054 9.127 -14.140 1.00 0.00 S ATOM 888 CE MET A 55 3.894 7.504 -14.926 1.00 0.00 C ATOM 0 H MET A 55 1.294 9.622 -11.819 1.00 0.00 H new ATOM 0 HA MET A 55 3.832 10.936 -12.383 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.082 11.283 -13.669 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.617 11.760 -14.367 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.683 8.916 -13.749 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.009 9.599 -15.330 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.193 6.728 -14.222 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.858 7.344 -15.223 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.535 7.461 -15.807 1.00 0.00 H new ATOM 898 N LYS A 56 1.798 12.519 -10.594 1.00 0.00 N ATOM 899 CA LYS A 56 1.505 13.831 -9.955 1.00 0.00 C ATOM 900 C LYS A 56 2.624 14.183 -8.973 1.00 0.00 C ATOM 901 O LYS A 56 2.480 15.053 -8.138 1.00 0.00 O ATOM 902 CB LYS A 56 0.175 13.746 -9.202 1.00 0.00 C ATOM 903 CG LYS A 56 -0.933 13.319 -10.167 1.00 0.00 C ATOM 904 CD LYS A 56 -1.879 14.497 -10.411 1.00 0.00 C ATOM 905 CE LYS A 56 -2.392 15.026 -9.071 1.00 0.00 C ATOM 906 NZ LYS A 56 -3.747 15.618 -9.257 1.00 0.00 N ATOM 0 H LYS A 56 1.427 11.705 -10.105 1.00 0.00 H new ATOM 0 HA LYS A 56 1.440 14.602 -10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.254 13.031 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.067 14.712 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.500 12.985 -11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.485 12.475 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.360 15.288 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.716 14.182 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.434 14.218 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.706 15.776 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.097 15.978 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.693 16.400 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.398 14.890 -9.614 1.00 0.00 H new ATOM 920 N ILE A 57 3.741 13.513 -9.066 1.00 0.00 N ATOM 921 CA ILE A 57 4.867 13.812 -8.137 1.00 0.00 C ATOM 922 C ILE A 57 5.561 15.106 -8.580 1.00 0.00 C ATOM 923 O ILE A 57 5.864 15.272 -9.745 1.00 0.00 O ATOM 924 CB ILE A 57 5.872 12.659 -8.171 1.00 0.00 C ATOM 925 CG1 ILE A 57 5.273 11.442 -7.461 1.00 0.00 C ATOM 926 CG2 ILE A 57 7.158 13.081 -7.459 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.267 10.281 -7.514 1.00 0.00 C ATOM 0 H ILE A 57 3.922 12.773 -9.744 1.00 0.00 H new ATOM 0 HA ILE A 57 4.483 13.932 -7.124 1.00 0.00 H new ATOM 0 HB ILE A 57 6.098 12.404 -9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.041 11.689 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.336 11.154 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.874 12.259 -7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.584 13.949 -7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.934 13.336 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.841 9.414 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.476 10.028 -8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.193 10.572 -7.018 1.00 0.00 H new ATOM 939 N PRO A 58 5.795 15.988 -7.638 1.00 0.00 N ATOM 940 CA PRO A 58 6.453 17.278 -7.908 1.00 0.00 C ATOM 941 C PRO A 58 7.968 17.089 -8.032 1.00 0.00 C ATOM 942 O PRO A 58 8.720 17.435 -7.144 1.00 0.00 O ATOM 943 CB PRO A 58 6.110 18.121 -6.676 1.00 0.00 C ATOM 944 CG PRO A 58 5.779 17.121 -5.543 1.00 0.00 C ATOM 945 CD PRO A 58 5.425 15.785 -6.222 1.00 0.00 C ATOM 0 HA PRO A 58 6.126 17.739 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.947 18.761 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.262 18.776 -6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.630 17.001 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.946 17.481 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.978 14.956 -5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.365 15.553 -6.117 1.00 0.00 H new ATOM 953 N GLY A 59 8.421 16.543 -9.128 1.00 0.00 N ATOM 954 CA GLY A 59 9.886 16.334 -9.304 1.00 0.00 C ATOM 955 C GLY A 59 10.174 15.901 -10.741 1.00 0.00 C ATOM 956 O GLY A 59 10.836 16.593 -11.488 1.00 0.00 O ATOM 0 H GLY A 59 7.841 16.233 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.425 17.254 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.242 15.575 -8.607 1.00 0.00 H new ATOM 960 N MET A 60 9.682 14.758 -11.136 1.00 0.00 N ATOM 961 CA MET A 60 9.931 14.281 -12.526 1.00 0.00 C ATOM 962 C MET A 60 8.797 13.350 -12.959 1.00 0.00 C ATOM 963 O MET A 60 7.907 13.040 -12.191 1.00 0.00 O ATOM 964 CB MET A 60 11.262 13.527 -12.578 1.00 0.00 C ATOM 965 CG MET A 60 11.118 12.176 -11.870 1.00 0.00 C ATOM 966 SD MET A 60 10.945 12.442 -10.088 1.00 0.00 S ATOM 967 CE MET A 60 9.558 11.311 -9.823 1.00 0.00 C ATOM 0 H MET A 60 9.119 14.135 -10.557 1.00 0.00 H new ATOM 0 HA MET A 60 9.973 15.136 -13.200 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.565 13.375 -13.614 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.044 14.117 -12.101 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.249 11.643 -12.255 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.989 11.553 -12.072 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.538 10.999 -8.779 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.624 11.817 -10.069 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.676 10.435 -10.461 1.00 0.00 H new ATOM 977 N ASP A 61 8.821 12.899 -14.183 1.00 0.00 N ATOM 978 CA ASP A 61 7.746 11.988 -14.664 1.00 0.00 C ATOM 979 C ASP A 61 8.149 10.537 -14.396 1.00 0.00 C ATOM 980 O ASP A 61 9.271 10.139 -14.637 1.00 0.00 O ATOM 981 CB ASP A 61 7.541 12.191 -16.167 1.00 0.00 C ATOM 982 CG ASP A 61 6.681 13.434 -16.403 1.00 0.00 C ATOM 983 OD1 ASP A 61 6.018 13.857 -15.469 1.00 0.00 O ATOM 984 OD2 ASP A 61 6.699 13.942 -17.512 1.00 0.00 O ATOM 0 H ASP A 61 9.540 13.123 -14.871 1.00 0.00 H new ATOM 0 HA ASP A 61 6.818 12.210 -14.137 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.505 12.303 -16.664 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.059 11.315 -16.600 1.00 0.00 H new ATOM 989 N GLY A 62 7.242 9.742 -13.898 1.00 0.00 N ATOM 990 CA GLY A 62 7.574 8.317 -13.615 1.00 0.00 C ATOM 991 C GLY A 62 7.698 7.548 -14.931 1.00 0.00 C ATOM 992 O GLY A 62 8.115 6.407 -14.957 1.00 0.00 O ATOM 0 H GLY A 62 6.286 10.018 -13.675 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.508 8.255 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.800 7.869 -12.992 1.00 0.00 H new ATOM 996 N ILE A 63 7.338 8.162 -16.025 1.00 0.00 N ATOM 997 CA ILE A 63 7.436 7.464 -17.339 1.00 0.00 C ATOM 998 C ILE A 63 8.773 6.727 -17.425 1.00 0.00 C ATOM 999 O ILE A 63 8.829 5.557 -17.749 1.00 0.00 O ATOM 1000 CB ILE A 63 7.344 8.490 -18.469 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.911 9.018 -18.563 1.00 0.00 C ATOM 1002 CG2 ILE A 63 7.730 7.828 -19.793 1.00 0.00 C ATOM 1003 CD1 ILE A 63 4.950 7.848 -18.780 1.00 0.00 C ATOM 0 H ILE A 63 6.980 9.116 -16.066 1.00 0.00 H new ATOM 0 HA ILE A 63 6.620 6.748 -17.433 1.00 0.00 H new ATOM 0 HB ILE A 63 8.024 9.317 -18.264 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.649 9.554 -17.651 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.827 9.729 -19.385 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.664 8.560 -20.598 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.751 7.451 -19.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.050 7.001 -19.998 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.929 8.223 -18.847 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.208 7.332 -19.705 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.027 7.154 -17.943 1.00 0.00 H new ATOM 1015 N GLU A 64 9.853 7.402 -17.138 1.00 0.00 N ATOM 1016 CA GLU A 64 11.186 6.739 -17.204 1.00 0.00 C ATOM 1017 C GLU A 64 11.250 5.621 -16.161 1.00 0.00 C ATOM 1018 O GLU A 64 11.717 4.533 -16.433 1.00 0.00 O ATOM 1019 CB GLU A 64 12.282 7.768 -16.917 1.00 0.00 C ATOM 1020 CG GLU A 64 12.055 9.010 -17.781 1.00 0.00 C ATOM 1021 CD GLU A 64 11.960 8.599 -19.252 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.979 8.227 -19.810 1.00 0.00 O ATOM 1023 OE2 GLU A 64 10.871 8.665 -19.797 1.00 0.00 O ATOM 0 H GLU A 64 9.870 8.383 -16.861 1.00 0.00 H new ATOM 0 HA GLU A 64 11.335 6.318 -18.198 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.273 8.040 -15.861 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.262 7.340 -17.128 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.140 9.517 -17.474 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.873 9.717 -17.642 1.00 0.00 H new ATOM 1030 N ILE A 65 10.783 5.880 -14.971 1.00 0.00 N ATOM 1031 CA ILE A 65 10.818 4.832 -13.913 1.00 0.00 C ATOM 1032 C ILE A 65 10.297 3.512 -14.486 1.00 0.00 C ATOM 1033 O ILE A 65 10.927 2.480 -14.365 1.00 0.00 O ATOM 1034 CB ILE A 65 9.934 5.262 -12.740 1.00 0.00 C ATOM 1035 CG1 ILE A 65 10.437 6.598 -12.187 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.995 4.202 -11.639 1.00 0.00 C ATOM 1037 CD1 ILE A 65 9.473 7.099 -11.110 1.00 0.00 C ATOM 0 H ILE A 65 10.379 6.772 -14.686 1.00 0.00 H new ATOM 0 HA ILE A 65 11.843 4.699 -13.567 1.00 0.00 H new ATOM 0 HB ILE A 65 8.905 5.372 -13.082 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.436 6.478 -11.768 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.514 7.331 -12.990 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.365 4.508 -10.804 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.639 3.249 -12.031 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.024 4.092 -11.297 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.830 8.050 -10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.482 7.235 -11.543 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.419 6.369 -10.302 1.00 0.00 H new ATOM 1049 N LEU A 66 9.152 3.537 -15.110 1.00 0.00 N ATOM 1050 CA LEU A 66 8.592 2.284 -15.691 1.00 0.00 C ATOM 1051 C LEU A 66 9.610 1.671 -16.655 1.00 0.00 C ATOM 1052 O LEU A 66 9.968 0.516 -16.542 1.00 0.00 O ATOM 1053 CB LEU A 66 7.301 2.605 -16.447 1.00 0.00 C ATOM 1054 CG LEU A 66 6.304 3.269 -15.497 1.00 0.00 C ATOM 1055 CD1 LEU A 66 5.110 3.795 -16.296 1.00 0.00 C ATOM 1056 CD2 LEU A 66 5.817 2.243 -14.471 1.00 0.00 C ATOM 0 H LEU A 66 8.580 4.371 -15.243 1.00 0.00 H new ATOM 0 HA LEU A 66 8.377 1.576 -14.891 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.514 3.266 -17.287 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.873 1.692 -16.860 1.00 0.00 H new ATOM 0 HG LEU A 66 6.790 4.097 -14.982 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.399 4.268 -15.619 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.455 4.525 -17.028 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.624 2.967 -16.811 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.106 2.716 -13.793 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.331 1.415 -14.987 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.667 1.867 -13.901 1.00 0.00 H new ATOM 1068 N LYS A 67 10.078 2.435 -17.603 1.00 0.00 N ATOM 1069 CA LYS A 67 11.072 1.896 -18.573 1.00 0.00 C ATOM 1070 C LYS A 67 12.130 1.086 -17.821 1.00 0.00 C ATOM 1071 O LYS A 67 12.581 0.057 -18.282 1.00 0.00 O ATOM 1072 CB LYS A 67 11.745 3.054 -19.312 1.00 0.00 C ATOM 1073 CG LYS A 67 11.183 3.151 -20.732 1.00 0.00 C ATOM 1074 CD LYS A 67 12.319 3.443 -21.712 1.00 0.00 C ATOM 1075 CE LYS A 67 11.925 2.962 -23.110 1.00 0.00 C ATOM 1076 NZ LYS A 67 13.035 2.155 -23.689 1.00 0.00 N ATOM 0 H LYS A 67 9.815 3.410 -17.748 1.00 0.00 H new ATOM 0 HA LYS A 67 10.565 1.253 -19.293 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.574 3.988 -18.778 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.823 2.899 -19.346 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.686 2.219 -21.002 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.432 3.939 -20.784 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.532 4.512 -21.730 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.231 2.942 -21.387 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.015 2.364 -23.057 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.708 3.816 -23.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.767 1.828 -24.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.893 2.740 -23.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.221 1.333 -23.080 1.00 0.00 H new ATOM 1090 N ARG A 68 12.529 1.544 -16.666 1.00 0.00 N ATOM 1091 CA ARG A 68 13.558 0.799 -15.886 1.00 0.00 C ATOM 1092 C ARG A 68 12.940 -0.478 -15.315 1.00 0.00 C ATOM 1093 O ARG A 68 13.552 -1.528 -15.312 1.00 0.00 O ATOM 1094 CB ARG A 68 14.063 1.677 -14.739 1.00 0.00 C ATOM 1095 CG ARG A 68 14.239 3.115 -15.234 1.00 0.00 C ATOM 1096 CD ARG A 68 15.013 3.110 -16.553 1.00 0.00 C ATOM 1097 NE ARG A 68 16.142 4.081 -16.472 1.00 0.00 N ATOM 1098 CZ ARG A 68 17.222 3.777 -15.804 1.00 0.00 C ATOM 1099 NH1 ARG A 68 17.322 2.620 -15.207 1.00 0.00 N ATOM 1100 NH2 ARG A 68 18.206 4.631 -15.736 1.00 0.00 N ATOM 0 H ARG A 68 12.188 2.400 -16.229 1.00 0.00 H new ATOM 0 HA ARG A 68 14.391 0.539 -16.539 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.357 1.651 -13.909 1.00 0.00 H new ATOM 0 HB3 ARG A 68 15.011 1.292 -14.363 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.265 3.584 -15.373 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.773 3.704 -14.489 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.394 2.110 -16.759 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.350 3.375 -17.377 1.00 0.00 H new ATOM 0 HE ARG A 68 16.070 4.985 -16.940 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.555 1.950 -15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.167 2.386 -14.686 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.131 5.534 -16.204 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.051 4.396 -15.215 1.00 0.00 H new ATOM 1114 N MET A 69 11.731 -0.399 -14.832 1.00 0.00 N ATOM 1115 CA MET A 69 11.075 -1.610 -14.262 1.00 0.00 C ATOM 1116 C MET A 69 11.005 -2.703 -15.331 1.00 0.00 C ATOM 1117 O MET A 69 11.573 -3.766 -15.184 1.00 0.00 O ATOM 1118 CB MET A 69 9.659 -1.255 -13.802 1.00 0.00 C ATOM 1119 CG MET A 69 9.715 -0.051 -12.860 1.00 0.00 C ATOM 1120 SD MET A 69 8.918 -0.475 -11.291 1.00 0.00 S ATOM 1121 CE MET A 69 9.187 1.112 -10.464 1.00 0.00 C ATOM 0 H MET A 69 11.169 0.452 -14.807 1.00 0.00 H new ATOM 0 HA MET A 69 11.654 -1.970 -13.411 1.00 0.00 H new ATOM 0 HB2 MET A 69 9.032 -1.027 -14.664 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.206 -2.107 -13.294 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.751 0.241 -12.687 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.215 0.804 -13.315 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.137 0.973 -9.384 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.168 1.502 -10.735 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.418 1.819 -10.775 1.00 0.00 H new ATOM 1131 N LYS A 70 10.310 -2.450 -16.406 1.00 0.00 N ATOM 1132 CA LYS A 70 10.204 -3.475 -17.482 1.00 0.00 C ATOM 1133 C LYS A 70 11.604 -3.947 -17.877 1.00 0.00 C ATOM 1134 O LYS A 70 11.866 -5.129 -17.978 1.00 0.00 O ATOM 1135 CB LYS A 70 9.509 -2.864 -18.702 1.00 0.00 C ATOM 1136 CG LYS A 70 10.276 -1.621 -19.158 1.00 0.00 C ATOM 1137 CD LYS A 70 9.335 -0.696 -19.932 1.00 0.00 C ATOM 1138 CE LYS A 70 8.451 0.074 -18.949 1.00 0.00 C ATOM 1139 NZ LYS A 70 7.019 -0.123 -19.310 1.00 0.00 N ATOM 0 H LYS A 70 9.811 -1.578 -16.585 1.00 0.00 H new ATOM 0 HA LYS A 70 9.623 -4.323 -17.119 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.464 -3.593 -19.511 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.481 -2.599 -18.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.688 -1.098 -18.295 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.118 -1.910 -19.787 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.912 0.000 -20.540 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.716 -1.278 -20.614 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.632 -0.273 -17.932 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.701 1.135 -18.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.453 -0.222 -18.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.681 0.698 -19.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.922 -0.982 -19.887 1.00 0.00 H new ATOM 1153 N VAL A 71 12.507 -3.033 -18.103 1.00 0.00 N ATOM 1154 CA VAL A 71 13.890 -3.431 -18.491 1.00 0.00 C ATOM 1155 C VAL A 71 14.396 -4.513 -17.536 1.00 0.00 C ATOM 1156 O VAL A 71 15.057 -5.449 -17.937 1.00 0.00 O ATOM 1157 CB VAL A 71 14.811 -2.212 -18.416 1.00 0.00 C ATOM 1158 CG1 VAL A 71 16.267 -2.663 -18.548 1.00 0.00 C ATOM 1159 CG2 VAL A 71 14.473 -1.247 -19.554 1.00 0.00 C ATOM 0 H VAL A 71 12.347 -2.028 -18.036 1.00 0.00 H new ATOM 0 HA VAL A 71 13.884 -3.820 -19.509 1.00 0.00 H new ATOM 0 HB VAL A 71 14.671 -1.710 -17.459 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.923 -1.794 -18.495 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.510 -3.351 -17.738 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.407 -3.165 -19.505 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.129 -0.378 -19.501 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.613 -1.750 -20.511 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.436 -0.925 -19.462 1.00 0.00 H new ATOM 1169 N ILE A 72 14.092 -4.392 -16.272 1.00 0.00 N ATOM 1170 CA ILE A 72 14.557 -5.413 -15.292 1.00 0.00 C ATOM 1171 C ILE A 72 13.796 -6.721 -15.520 1.00 0.00 C ATOM 1172 O ILE A 72 14.380 -7.784 -15.603 1.00 0.00 O ATOM 1173 CB ILE A 72 14.296 -4.913 -13.870 1.00 0.00 C ATOM 1174 CG1 ILE A 72 15.135 -3.661 -13.610 1.00 0.00 C ATOM 1175 CG2 ILE A 72 14.681 -6.001 -12.867 1.00 0.00 C ATOM 1176 CD1 ILE A 72 14.737 -3.050 -12.265 1.00 0.00 C ATOM 0 H ILE A 72 13.542 -3.630 -15.876 1.00 0.00 H new ATOM 0 HA ILE A 72 15.625 -5.585 -15.426 1.00 0.00 H new ATOM 0 HB ILE A 72 13.239 -4.674 -13.757 1.00 0.00 H new ATOM 0 HG12 ILE A 72 16.195 -3.915 -13.607 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.983 -2.936 -14.410 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.495 -5.644 -11.854 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.085 -6.894 -13.052 1.00 0.00 H new ATOM 0 HG23 ILE A 72 15.738 -6.241 -12.979 1.00 0.00 H new ATOM 0 HD11 ILE A 72 15.335 -2.158 -12.080 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.681 -2.781 -12.286 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.911 -3.775 -11.470 1.00 0.00 H new ATOM 1188 N ASP A 73 12.497 -6.653 -15.624 1.00 0.00 N ATOM 1189 CA ASP A 73 11.700 -7.892 -15.846 1.00 0.00 C ATOM 1190 C ASP A 73 10.404 -7.541 -16.577 1.00 0.00 C ATOM 1191 O ASP A 73 9.532 -6.889 -16.038 1.00 0.00 O ATOM 1192 CB ASP A 73 11.368 -8.534 -14.497 1.00 0.00 C ATOM 1193 CG ASP A 73 11.976 -9.936 -14.435 1.00 0.00 C ATOM 1194 OD1 ASP A 73 12.881 -10.203 -15.207 1.00 0.00 O ATOM 1195 OD2 ASP A 73 11.524 -10.720 -13.615 1.00 0.00 O ATOM 0 H ASP A 73 11.953 -5.792 -15.565 1.00 0.00 H new ATOM 0 HA ASP A 73 12.278 -8.592 -16.449 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.758 -7.921 -13.685 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.287 -8.589 -14.364 1.00 0.00 H new ATOM 1200 N GLU A 74 10.269 -7.968 -17.804 1.00 0.00 N ATOM 1201 CA GLU A 74 9.028 -7.658 -18.568 1.00 0.00 C ATOM 1202 C GLU A 74 7.823 -8.278 -17.857 1.00 0.00 C ATOM 1203 O GLU A 74 6.688 -7.940 -18.131 1.00 0.00 O ATOM 1204 CB GLU A 74 9.140 -8.236 -19.979 1.00 0.00 C ATOM 1205 CG GLU A 74 9.081 -7.101 -21.003 1.00 0.00 C ATOM 1206 CD GLU A 74 10.152 -7.323 -22.075 1.00 0.00 C ATOM 1207 OE1 GLU A 74 11.316 -7.383 -21.717 1.00 0.00 O ATOM 1208 OE2 GLU A 74 9.788 -7.428 -23.234 1.00 0.00 O ATOM 0 H GLU A 74 10.964 -8.517 -18.309 1.00 0.00 H new ATOM 0 HA GLU A 74 8.899 -6.577 -18.627 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.075 -8.787 -20.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.331 -8.944 -20.158 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.094 -7.063 -21.463 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.239 -6.143 -20.509 1.00 0.00 H new ATOM 1215 N ASN A 75 8.060 -9.181 -16.947 1.00 0.00 N ATOM 1216 CA ASN A 75 6.927 -9.821 -16.220 1.00 0.00 C ATOM 1217 C ASN A 75 6.635 -9.037 -14.939 1.00 0.00 C ATOM 1218 O ASN A 75 6.381 -9.605 -13.895 1.00 0.00 O ATOM 1219 CB ASN A 75 7.299 -11.262 -15.863 1.00 0.00 C ATOM 1220 CG ASN A 75 8.713 -11.295 -15.278 1.00 0.00 C ATOM 1221 OD1 ASN A 75 8.983 -10.663 -14.276 1.00 0.00 O ATOM 1222 ND2 ASN A 75 9.632 -12.009 -15.868 1.00 0.00 N ATOM 0 H ASN A 75 8.989 -9.504 -16.675 1.00 0.00 H new ATOM 0 HA ASN A 75 6.041 -9.821 -16.855 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.587 -11.665 -15.143 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.246 -11.893 -16.750 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.578 -12.037 -15.488 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.404 -12.539 -16.709 1.00 0.00 H new ATOM 1229 N ILE A 76 6.670 -7.734 -15.008 1.00 0.00 N ATOM 1230 CA ILE A 76 6.394 -6.916 -13.795 1.00 0.00 C ATOM 1231 C ILE A 76 5.154 -6.050 -14.034 1.00 0.00 C ATOM 1232 O ILE A 76 5.163 -5.150 -14.851 1.00 0.00 O ATOM 1233 CB ILE A 76 7.595 -6.015 -13.502 1.00 0.00 C ATOM 1234 CG1 ILE A 76 7.284 -5.126 -12.296 1.00 0.00 C ATOM 1235 CG2 ILE A 76 7.885 -5.137 -14.721 1.00 0.00 C ATOM 1236 CD1 ILE A 76 8.549 -4.945 -11.455 1.00 0.00 C ATOM 0 H ILE A 76 6.878 -7.201 -15.853 1.00 0.00 H new ATOM 0 HA ILE A 76 6.219 -7.576 -12.945 1.00 0.00 H new ATOM 0 HB ILE A 76 8.466 -6.632 -13.284 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.916 -4.156 -12.631 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.495 -5.576 -11.693 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.741 -4.495 -14.512 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.107 -5.770 -15.580 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.014 -4.520 -14.940 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.327 -4.312 -10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.898 -5.918 -11.108 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.325 -4.476 -12.061 1.00 0.00 H new ATOM 1248 N ARG A 77 4.089 -6.314 -13.328 1.00 0.00 N ATOM 1249 CA ARG A 77 2.852 -5.506 -13.517 1.00 0.00 C ATOM 1250 C ARG A 77 3.013 -4.155 -12.816 1.00 0.00 C ATOM 1251 O ARG A 77 3.081 -4.078 -11.605 1.00 0.00 O ATOM 1252 CB ARG A 77 1.658 -6.253 -12.918 1.00 0.00 C ATOM 1253 CG ARG A 77 1.296 -7.438 -13.815 1.00 0.00 C ATOM 1254 CD ARG A 77 1.031 -8.672 -12.950 1.00 0.00 C ATOM 1255 NE ARG A 77 1.854 -9.811 -13.445 1.00 0.00 N ATOM 1256 CZ ARG A 77 1.566 -11.033 -13.084 1.00 0.00 C ATOM 1257 NH1 ARG A 77 0.557 -11.264 -12.288 1.00 0.00 N ATOM 1258 NH2 ARG A 77 2.291 -12.027 -13.520 1.00 0.00 N ATOM 0 H ARG A 77 4.022 -7.054 -12.629 1.00 0.00 H new ATOM 0 HA ARG A 77 2.682 -5.345 -14.582 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.901 -6.603 -11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.805 -5.581 -12.823 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.413 -7.201 -14.409 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.107 -7.639 -14.515 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.274 -8.459 -11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.027 -8.932 -12.983 1.00 0.00 H new ATOM 0 HE ARG A 77 2.644 -9.636 -14.067 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.010 -10.489 -11.945 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.336 -12.220 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.080 -11.849 -14.141 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.068 -12.982 -13.240 1.00 0.00 H new ATOM 1272 N VAL A 78 3.073 -3.090 -13.566 1.00 0.00 N ATOM 1273 CA VAL A 78 3.229 -1.746 -12.942 1.00 0.00 C ATOM 1274 C VAL A 78 2.068 -0.846 -13.371 1.00 0.00 C ATOM 1275 O VAL A 78 1.941 -0.487 -14.525 1.00 0.00 O ATOM 1276 CB VAL A 78 4.552 -1.124 -13.396 1.00 0.00 C ATOM 1277 CG1 VAL A 78 4.685 0.280 -12.804 1.00 0.00 C ATOM 1278 CG2 VAL A 78 5.714 -1.993 -12.912 1.00 0.00 C ATOM 0 H VAL A 78 3.021 -3.092 -14.585 1.00 0.00 H new ATOM 0 HA VAL A 78 3.228 -1.847 -11.857 1.00 0.00 H new ATOM 0 HB VAL A 78 4.571 -1.063 -14.484 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.627 0.723 -13.127 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.856 0.899 -13.147 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.667 0.219 -11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.657 -1.552 -13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.695 -2.053 -11.824 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.619 -2.994 -13.332 1.00 0.00 H new ATOM 1288 N ILE A 79 1.219 -0.479 -12.451 1.00 0.00 N ATOM 1289 CA ILE A 79 0.068 0.397 -12.806 1.00 0.00 C ATOM 1290 C ILE A 79 0.476 1.864 -12.654 1.00 0.00 C ATOM 1291 O ILE A 79 1.488 2.177 -12.058 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.108 0.097 -11.875 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -1.687 -1.280 -12.215 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -2.190 1.162 -12.057 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -2.772 -1.643 -11.200 1.00 0.00 C ATOM 0 H ILE A 79 1.273 -0.748 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.227 0.207 -13.838 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.763 0.104 -10.841 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.104 -1.272 -13.222 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.897 -2.031 -12.203 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.027 0.947 -11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.779 2.143 -11.817 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.536 1.156 -13.091 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.184 -2.623 -11.442 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.340 -1.668 -10.199 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.566 -0.897 -11.234 1.00 0.00 H new ATOM 1307 N ILE A 80 -0.302 2.765 -13.189 1.00 0.00 N ATOM 1308 CA ILE A 80 0.045 4.211 -13.074 1.00 0.00 C ATOM 1309 C ILE A 80 -1.163 4.985 -12.543 1.00 0.00 C ATOM 1310 O ILE A 80 -2.249 4.453 -12.425 1.00 0.00 O ATOM 1311 CB ILE A 80 0.442 4.772 -14.447 1.00 0.00 C ATOM 1312 CG1 ILE A 80 -0.083 3.860 -15.562 1.00 0.00 C ATOM 1313 CG2 ILE A 80 1.966 4.856 -14.540 1.00 0.00 C ATOM 1314 CD1 ILE A 80 0.469 4.329 -16.909 1.00 0.00 C ATOM 0 H ILE A 80 -1.161 2.563 -13.700 1.00 0.00 H new ATOM 0 HA ILE A 80 0.885 4.319 -12.388 1.00 0.00 H new ATOM 0 HB ILE A 80 0.008 5.765 -14.563 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.216 2.829 -15.374 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.173 3.878 -15.578 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.250 5.254 -15.514 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.343 5.513 -13.756 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.393 3.861 -14.416 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.095 3.680 -17.701 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.148 5.353 -17.097 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.558 4.288 -16.890 1.00 0.00 H new ATOM 1326 N MET A 81 -0.983 6.237 -12.222 1.00 0.00 N ATOM 1327 CA MET A 81 -2.121 7.045 -11.698 1.00 0.00 C ATOM 1328 C MET A 81 -1.970 8.496 -12.160 1.00 0.00 C ATOM 1329 O MET A 81 -1.119 9.223 -11.685 1.00 0.00 O ATOM 1330 CB MET A 81 -2.121 6.993 -10.168 1.00 0.00 C ATOM 1331 CG MET A 81 -1.741 5.586 -9.705 1.00 0.00 C ATOM 1332 SD MET A 81 -1.649 5.551 -7.897 1.00 0.00 S ATOM 1333 CE MET A 81 -0.217 6.644 -7.723 1.00 0.00 C ATOM 0 H MET A 81 -0.097 6.736 -12.300 1.00 0.00 H new ATOM 0 HA MET A 81 -3.060 6.640 -12.075 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.415 7.722 -9.769 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.106 7.260 -9.785 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.478 4.864 -10.056 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.782 5.297 -10.134 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.371 6.339 -6.857 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.399 6.582 -8.620 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.557 7.671 -7.587 1.00 0.00 H new ATOM 1343 N THR A 82 -2.788 8.924 -13.081 1.00 0.00 N ATOM 1344 CA THR A 82 -2.690 10.327 -13.571 1.00 0.00 C ATOM 1345 C THR A 82 -4.076 10.813 -14.009 1.00 0.00 C ATOM 1346 O THR A 82 -5.085 10.242 -13.645 1.00 0.00 O ATOM 1347 CB THR A 82 -1.715 10.385 -14.754 1.00 0.00 C ATOM 1348 OG1 THR A 82 -1.305 11.728 -14.965 1.00 0.00 O ATOM 1349 CG2 THR A 82 -2.397 9.853 -16.018 1.00 0.00 C ATOM 0 H THR A 82 -3.520 8.363 -13.516 1.00 0.00 H new ATOM 0 HA THR A 82 -2.323 10.971 -12.772 1.00 0.00 H new ATOM 0 HB THR A 82 -0.844 9.769 -14.531 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.681 11.765 -15.720 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.699 9.897 -16.854 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.706 8.820 -15.857 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.272 10.463 -16.243 1.00 0.00 H new ATOM 1357 N ALA A 83 -4.134 11.859 -14.788 1.00 0.00 N ATOM 1358 CA ALA A 83 -5.454 12.376 -15.245 1.00 0.00 C ATOM 1359 C ALA A 83 -6.342 11.205 -15.670 1.00 0.00 C ATOM 1360 O ALA A 83 -5.897 10.278 -16.318 1.00 0.00 O ATOM 1361 CB ALA A 83 -5.250 13.318 -16.433 1.00 0.00 C ATOM 0 H ALA A 83 -3.324 12.377 -15.127 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.933 12.918 -14.430 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.216 13.696 -16.767 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.618 14.153 -16.131 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.770 12.777 -17.248 1.00 0.00 H new ATOM 1458 N ILE A 90 -0.392 7.635 -21.674 1.00 0.00 N ATOM 1459 CA ILE A 90 -0.993 6.550 -20.848 1.00 0.00 C ATOM 1460 C ILE A 90 -1.320 5.351 -21.740 1.00 0.00 C ATOM 1461 O ILE A 90 -1.108 4.214 -21.370 1.00 0.00 O ATOM 1462 CB ILE A 90 -2.277 7.062 -20.191 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -1.964 8.316 -19.371 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -2.846 5.981 -19.271 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -3.182 8.689 -18.524 1.00 0.00 C ATOM 0 HA ILE A 90 -0.285 6.246 -20.077 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.008 7.304 -20.962 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.102 8.137 -18.728 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.702 9.141 -20.034 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.760 6.346 -18.803 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.068 5.087 -19.854 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.115 5.739 -18.499 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.959 9.582 -17.940 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.033 8.885 -19.177 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.423 7.866 -17.851 1.00 0.00 H new ATOM 1477 N GLN A 91 -1.838 5.596 -22.913 1.00 0.00 N ATOM 1478 CA GLN A 91 -2.178 4.469 -23.827 1.00 0.00 C ATOM 1479 C GLN A 91 -0.901 3.717 -24.207 1.00 0.00 C ATOM 1480 O GLN A 91 -0.867 2.503 -24.224 1.00 0.00 O ATOM 1481 CB GLN A 91 -2.841 5.021 -25.092 1.00 0.00 C ATOM 1482 CG GLN A 91 -4.116 4.229 -25.386 1.00 0.00 C ATOM 1483 CD GLN A 91 -4.560 4.494 -26.827 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -4.182 3.777 -27.732 1.00 0.00 O ATOM 1485 NE2 GLN A 91 -5.352 5.500 -27.079 1.00 0.00 N ATOM 0 H GLN A 91 -2.040 6.527 -23.277 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.864 3.788 -23.324 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.078 6.077 -24.960 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.154 4.951 -25.936 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.937 3.164 -25.239 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -4.905 4.518 -24.692 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.669 6.102 -26.319 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.654 5.684 -28.036 1.00 0.00 H new ATOM 1494 N GLU A 92 0.149 4.428 -24.513 1.00 0.00 N ATOM 1495 CA GLU A 92 1.422 3.752 -24.892 1.00 0.00 C ATOM 1496 C GLU A 92 2.103 3.207 -23.635 1.00 0.00 C ATOM 1497 O GLU A 92 2.703 2.150 -23.651 1.00 0.00 O ATOM 1498 CB GLU A 92 2.348 4.758 -25.578 1.00 0.00 C ATOM 1499 CG GLU A 92 2.033 4.803 -27.075 1.00 0.00 C ATOM 1500 CD GLU A 92 3.321 5.056 -27.860 1.00 0.00 C ATOM 1501 OE1 GLU A 92 4.332 4.473 -27.505 1.00 0.00 O ATOM 1502 OE2 GLU A 92 3.275 5.828 -28.804 1.00 0.00 O ATOM 0 H GLU A 92 0.181 5.447 -24.517 1.00 0.00 H new ATOM 0 HA GLU A 92 1.208 2.930 -25.575 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.218 5.747 -25.138 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.389 4.475 -25.423 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.581 3.863 -27.391 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.308 5.590 -27.281 1.00 0.00 H new ATOM 1509 N SER A 93 2.017 3.919 -22.546 1.00 0.00 N ATOM 1510 CA SER A 93 2.660 3.441 -21.289 1.00 0.00 C ATOM 1511 C SER A 93 2.373 1.948 -21.106 1.00 0.00 C ATOM 1512 O SER A 93 3.273 1.132 -21.080 1.00 0.00 O ATOM 1513 CB SER A 93 2.095 4.218 -20.099 1.00 0.00 C ATOM 1514 OG SER A 93 2.479 3.572 -18.893 1.00 0.00 O ATOM 0 H SER A 93 1.529 4.812 -22.472 1.00 0.00 H new ATOM 0 HA SER A 93 3.737 3.600 -21.348 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.465 5.243 -20.110 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.008 4.271 -20.167 1.00 0.00 H new ATOM 0 HG SER A 93 3.137 4.124 -18.421 1.00 0.00 H new ATOM 1520 N LYS A 94 1.126 1.586 -20.978 1.00 0.00 N ATOM 1521 CA LYS A 94 0.784 0.147 -20.798 1.00 0.00 C ATOM 1522 C LYS A 94 1.467 -0.681 -21.887 1.00 0.00 C ATOM 1523 O LYS A 94 2.096 -1.685 -21.615 1.00 0.00 O ATOM 1524 CB LYS A 94 -0.732 -0.032 -20.897 1.00 0.00 C ATOM 1525 CG LYS A 94 -1.252 0.683 -22.145 1.00 0.00 C ATOM 1526 CD LYS A 94 -2.652 1.238 -21.871 1.00 0.00 C ATOM 1527 CE LYS A 94 -3.700 0.269 -22.421 1.00 0.00 C ATOM 1528 NZ LYS A 94 -4.231 0.792 -23.712 1.00 0.00 N ATOM 0 H LYS A 94 0.330 2.224 -20.990 1.00 0.00 H new ATOM 0 HA LYS A 94 1.127 -0.188 -19.819 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.981 -1.092 -20.943 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.215 0.371 -20.007 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.576 1.492 -22.421 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.282 -0.008 -22.987 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.797 1.377 -20.800 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.765 2.216 -22.338 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.258 -0.716 -22.570 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.512 0.149 -21.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.944 0.134 -24.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.668 1.723 -23.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.453 0.885 -24.395 1.00 0.00 H new ATOM 1542 N GLU A 95 1.350 -0.269 -23.120 1.00 0.00 N ATOM 1543 CA GLU A 95 1.993 -1.033 -24.226 1.00 0.00 C ATOM 1544 C GLU A 95 3.412 -1.429 -23.813 1.00 0.00 C ATOM 1545 O GLU A 95 3.848 -2.540 -24.042 1.00 0.00 O ATOM 1546 CB GLU A 95 2.052 -0.161 -25.481 1.00 0.00 C ATOM 1547 CG GLU A 95 1.292 -0.848 -26.618 1.00 0.00 C ATOM 1548 CD GLU A 95 2.262 -1.190 -27.750 1.00 0.00 C ATOM 1549 OE1 GLU A 95 3.288 -0.534 -27.842 1.00 0.00 O ATOM 1550 OE2 GLU A 95 1.964 -2.100 -28.505 1.00 0.00 O ATOM 0 H GLU A 95 0.837 0.564 -23.409 1.00 0.00 H new ATOM 0 HA GLU A 95 1.411 -1.931 -24.435 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.616 0.817 -25.277 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.089 0.006 -25.772 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.811 -1.755 -26.252 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.502 -0.195 -26.988 1.00 0.00 H new ATOM 1557 N LEU A 96 4.138 -0.529 -23.207 1.00 0.00 N ATOM 1558 CA LEU A 96 5.527 -0.855 -22.780 1.00 0.00 C ATOM 1559 C LEU A 96 5.484 -1.836 -21.607 1.00 0.00 C ATOM 1560 O LEU A 96 6.089 -2.889 -21.642 1.00 0.00 O ATOM 1561 CB LEU A 96 6.242 0.427 -22.349 1.00 0.00 C ATOM 1562 CG LEU A 96 6.726 1.183 -23.586 1.00 0.00 C ATOM 1563 CD1 LEU A 96 7.893 0.426 -24.224 1.00 0.00 C ATOM 1564 CD2 LEU A 96 5.581 1.297 -24.594 1.00 0.00 C ATOM 0 H LEU A 96 3.828 0.418 -22.989 1.00 0.00 H new ATOM 0 HA LEU A 96 6.066 -1.309 -23.612 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.566 1.055 -21.768 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.087 0.185 -21.704 1.00 0.00 H new ATOM 0 HG LEU A 96 7.056 2.180 -23.295 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.238 0.965 -25.106 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.709 0.344 -23.506 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.564 -0.572 -24.514 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.925 1.836 -25.476 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.251 0.299 -24.884 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.750 1.837 -24.141 1.00 0.00 H new ATOM 1576 N GLY A 97 4.772 -1.499 -20.567 1.00 0.00 N ATOM 1577 CA GLY A 97 4.691 -2.413 -19.392 1.00 0.00 C ATOM 1578 C GLY A 97 3.856 -1.758 -18.290 1.00 0.00 C ATOM 1579 O GLY A 97 4.345 -1.470 -17.215 1.00 0.00 O ATOM 0 H GLY A 97 4.243 -0.631 -20.480 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.243 -3.362 -19.687 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.692 -2.635 -19.021 1.00 0.00 H new ATOM 1583 N ALA A 98 2.600 -1.518 -18.548 1.00 0.00 N ATOM 1584 CA ALA A 98 1.736 -0.881 -17.514 1.00 0.00 C ATOM 1585 C ALA A 98 0.308 -1.416 -17.644 1.00 0.00 C ATOM 1586 O ALA A 98 -0.407 -1.085 -18.570 1.00 0.00 O ATOM 1587 CB ALA A 98 1.733 0.636 -17.715 1.00 0.00 C ATOM 0 H ALA A 98 2.135 -1.735 -19.429 1.00 0.00 H new ATOM 0 HA ALA A 98 2.123 -1.115 -16.522 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.101 1.102 -16.959 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.750 1.017 -17.623 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.346 0.871 -18.706 1.00 0.00 H new ATOM 1593 N LEU A 99 -0.114 -2.239 -16.724 1.00 0.00 N ATOM 1594 CA LEU A 99 -1.496 -2.793 -16.796 1.00 0.00 C ATOM 1595 C LEU A 99 -2.475 -1.673 -17.155 1.00 0.00 C ATOM 1596 O LEU A 99 -2.816 -1.479 -18.305 1.00 0.00 O ATOM 1597 CB LEU A 99 -1.877 -3.389 -15.439 1.00 0.00 C ATOM 1598 CG LEU A 99 -0.984 -4.594 -15.141 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -1.312 -5.142 -13.750 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.233 -5.682 -16.188 1.00 0.00 C ATOM 0 H LEU A 99 0.438 -2.552 -15.925 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.538 -3.571 -17.559 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.766 -2.638 -14.656 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.924 -3.692 -15.444 1.00 0.00 H new ATOM 0 HG LEU A 99 0.062 -4.288 -15.173 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.675 -6.001 -13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.137 -4.367 -13.003 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.358 -5.448 -13.717 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.597 -6.542 -15.977 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.279 -5.987 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.000 -5.293 -17.179 1.00 0.00 H new ATOM 1612 N THR A 100 -2.932 -0.936 -16.180 1.00 0.00 N ATOM 1613 CA THR A 100 -3.888 0.170 -16.467 1.00 0.00 C ATOM 1614 C THR A 100 -3.372 1.466 -15.838 1.00 0.00 C ATOM 1615 O THR A 100 -2.339 1.488 -15.198 1.00 0.00 O ATOM 1616 CB THR A 100 -5.257 -0.173 -15.875 1.00 0.00 C ATOM 1617 OG1 THR A 100 -6.229 0.734 -16.376 1.00 0.00 O ATOM 1618 CG2 THR A 100 -5.198 -0.069 -14.350 1.00 0.00 C ATOM 0 H THR A 100 -2.685 -1.052 -15.197 1.00 0.00 H new ATOM 0 HA THR A 100 -3.980 0.300 -17.545 1.00 0.00 H new ATOM 0 HB THR A 100 -5.529 -1.190 -16.156 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.106 0.514 -15.999 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.174 -0.314 -13.931 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.453 -0.766 -13.966 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.925 0.947 -14.065 1.00 0.00 H new ATOM 1626 N HIS A 101 -4.081 2.546 -16.016 1.00 0.00 N ATOM 1627 CA HIS A 101 -3.628 3.838 -15.427 1.00 0.00 C ATOM 1628 C HIS A 101 -4.787 4.492 -14.674 1.00 0.00 C ATOM 1629 O HIS A 101 -5.620 5.160 -15.255 1.00 0.00 O ATOM 1630 CB HIS A 101 -3.154 4.771 -16.544 1.00 0.00 C ATOM 1631 CG HIS A 101 -2.341 5.889 -15.951 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -1.397 6.587 -16.688 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -2.317 6.438 -14.694 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -0.850 7.510 -15.875 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -1.375 7.462 -14.647 1.00 0.00 N ATOM 0 H HIS A 101 -4.953 2.590 -16.543 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.806 3.652 -14.736 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.556 4.216 -17.267 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.011 5.176 -17.083 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -1.160 6.430 -17.668 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -2.935 6.123 -13.866 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.081 8.205 -16.178 1.00 0.00 H new ATOM 1643 N PHE A 102 -4.848 4.306 -13.384 1.00 0.00 N ATOM 1644 CA PHE A 102 -5.953 4.917 -12.594 1.00 0.00 C ATOM 1645 C PHE A 102 -5.831 6.442 -12.648 1.00 0.00 C ATOM 1646 O PHE A 102 -5.094 6.988 -13.445 1.00 0.00 O ATOM 1647 CB PHE A 102 -5.860 4.446 -11.141 1.00 0.00 C ATOM 1648 CG PHE A 102 -6.248 2.990 -11.058 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -7.600 2.628 -11.017 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -5.258 2.002 -11.022 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -7.961 1.277 -10.940 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -5.618 0.650 -10.945 1.00 0.00 C ATOM 1653 CZ PHE A 102 -6.969 0.289 -10.904 1.00 0.00 C ATOM 0 H PHE A 102 -4.180 3.757 -12.843 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.913 4.614 -13.012 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.846 4.585 -10.767 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.517 5.045 -10.511 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.364 3.391 -11.045 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.215 2.282 -11.054 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.004 0.997 -10.908 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -4.854 -0.112 -10.917 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.247 -0.753 -10.845 1.00 0.00 H new ATOM 1663 N ALA A 103 -6.548 7.133 -11.806 1.00 0.00 N ATOM 1664 CA ALA A 103 -6.474 8.621 -11.808 1.00 0.00 C ATOM 1665 C ALA A 103 -7.008 9.158 -10.478 1.00 0.00 C ATOM 1666 O ALA A 103 -7.185 8.423 -9.527 1.00 0.00 O ATOM 1667 CB ALA A 103 -7.320 9.172 -12.957 1.00 0.00 C ATOM 0 H ALA A 103 -7.183 6.731 -11.116 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.438 8.934 -11.938 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.266 10.261 -12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.941 8.788 -13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.356 8.860 -12.828 1.00 0.00 H new ATOM 1673 N LYS A 104 -7.266 10.435 -10.403 1.00 0.00 N ATOM 1674 CA LYS A 104 -7.789 11.015 -9.134 1.00 0.00 C ATOM 1675 C LYS A 104 -8.882 12.041 -9.456 1.00 0.00 C ATOM 1676 O LYS A 104 -8.771 12.779 -10.414 1.00 0.00 O ATOM 1677 CB LYS A 104 -6.648 11.705 -8.382 1.00 0.00 C ATOM 1678 CG LYS A 104 -7.208 12.446 -7.167 1.00 0.00 C ATOM 1679 CD LYS A 104 -6.171 13.449 -6.658 1.00 0.00 C ATOM 1680 CE LYS A 104 -6.136 13.416 -5.129 1.00 0.00 C ATOM 1681 NZ LYS A 104 -7.121 14.395 -4.589 1.00 0.00 N ATOM 0 H LYS A 104 -7.137 11.101 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.206 10.221 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.911 10.968 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.134 12.404 -9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.129 12.964 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.460 11.736 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.187 13.207 -7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.419 14.452 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.370 12.413 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.135 13.657 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.098 14.373 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.879 15.350 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.075 14.146 -4.919 1.00 0.00 H new ATOM 1695 N PRO A 105 -9.909 12.056 -8.642 1.00 0.00 N ATOM 1696 CA PRO A 105 -10.038 11.156 -7.480 1.00 0.00 C ATOM 1697 C PRO A 105 -10.473 9.759 -7.932 1.00 0.00 C ATOM 1698 O PRO A 105 -11.303 9.610 -8.807 1.00 0.00 O ATOM 1699 CB PRO A 105 -11.125 11.820 -6.631 1.00 0.00 C ATOM 1700 CG PRO A 105 -11.943 12.716 -7.593 1.00 0.00 C ATOM 1701 CD PRO A 105 -11.044 12.984 -8.816 1.00 0.00 C ATOM 0 HA PRO A 105 -9.103 11.020 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.763 11.071 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.684 12.412 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.867 12.221 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -12.225 13.650 -7.107 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.574 12.794 -9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.710 14.021 -8.845 1.00 0.00 H new ATOM 1709 N PHE A 106 -9.918 8.736 -7.343 1.00 0.00 N ATOM 1710 CA PHE A 106 -10.300 7.351 -7.739 1.00 0.00 C ATOM 1711 C PHE A 106 -11.173 6.730 -6.648 1.00 0.00 C ATOM 1712 O PHE A 106 -11.401 7.320 -5.610 1.00 0.00 O ATOM 1713 CB PHE A 106 -9.037 6.506 -7.923 1.00 0.00 C ATOM 1714 CG PHE A 106 -8.195 6.580 -6.671 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -8.601 5.906 -5.515 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -7.009 7.324 -6.669 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -7.820 5.975 -4.354 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -6.228 7.393 -5.510 1.00 0.00 C ATOM 1719 CZ PHE A 106 -6.634 6.717 -4.353 1.00 0.00 C ATOM 0 H PHE A 106 -9.217 8.799 -6.605 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.857 7.382 -8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.306 5.471 -8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.467 6.866 -8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.516 5.333 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.697 7.845 -7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.133 5.456 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.313 7.967 -5.508 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.031 6.768 -3.459 1.00 0.00 H new ATOM 1729 N ASP A 107 -11.665 5.542 -6.872 1.00 0.00 N ATOM 1730 CA ASP A 107 -12.524 4.884 -5.847 1.00 0.00 C ATOM 1731 C ASP A 107 -11.801 3.657 -5.289 1.00 0.00 C ATOM 1732 O ASP A 107 -11.350 2.802 -6.025 1.00 0.00 O ATOM 1733 CB ASP A 107 -13.844 4.451 -6.489 1.00 0.00 C ATOM 1734 CG ASP A 107 -14.862 4.128 -5.394 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -14.601 4.466 -4.252 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -15.885 3.548 -5.717 1.00 0.00 O ATOM 0 H ASP A 107 -11.509 4.998 -7.721 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.727 5.585 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.225 5.244 -7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.684 3.577 -7.121 1.00 0.00 H new ATOM 1741 N ILE A 108 -11.688 3.563 -3.992 1.00 0.00 N ATOM 1742 CA ILE A 108 -10.995 2.390 -3.388 1.00 0.00 C ATOM 1743 C ILE A 108 -11.647 1.099 -3.886 1.00 0.00 C ATOM 1744 O ILE A 108 -11.071 0.032 -3.812 1.00 0.00 O ATOM 1745 CB ILE A 108 -11.105 2.463 -1.864 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -10.254 3.624 -1.347 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -10.604 1.153 -1.253 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -8.849 3.536 -1.948 1.00 0.00 C ATOM 0 H ILE A 108 -12.045 4.247 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.944 2.400 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.146 2.621 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.716 4.574 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.198 3.591 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.682 1.205 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.209 0.325 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.563 0.995 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.243 4.364 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.388 2.592 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.914 3.590 -3.035 1.00 0.00 H new ATOM 1760 N ASP A 109 -12.847 1.186 -4.394 1.00 0.00 N ATOM 1761 CA ASP A 109 -13.535 -0.037 -4.895 1.00 0.00 C ATOM 1762 C ASP A 109 -12.945 -0.433 -6.251 1.00 0.00 C ATOM 1763 O ASP A 109 -12.630 -1.582 -6.489 1.00 0.00 O ATOM 1764 CB ASP A 109 -15.029 0.247 -5.053 1.00 0.00 C ATOM 1765 CG ASP A 109 -15.555 0.929 -3.789 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -15.472 0.324 -2.734 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -16.034 2.046 -3.898 1.00 0.00 O ATOM 0 H ASP A 109 -13.380 2.051 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.393 -0.851 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -15.199 0.884 -5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.570 -0.683 -5.230 1.00 0.00 H new ATOM 1772 N GLU A 110 -12.793 0.509 -7.141 1.00 0.00 N ATOM 1773 CA GLU A 110 -12.225 0.185 -8.479 1.00 0.00 C ATOM 1774 C GLU A 110 -10.749 -0.191 -8.328 1.00 0.00 C ATOM 1775 O GLU A 110 -10.203 -0.932 -9.122 1.00 0.00 O ATOM 1776 CB GLU A 110 -12.349 1.404 -9.395 1.00 0.00 C ATOM 1777 CG GLU A 110 -12.759 0.950 -10.797 1.00 0.00 C ATOM 1778 CD GLU A 110 -13.816 1.905 -11.354 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -14.433 2.602 -10.565 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -13.991 1.925 -12.561 1.00 0.00 O ATOM 0 H GLU A 110 -13.038 1.489 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.772 -0.652 -8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -13.088 2.098 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.400 1.938 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.889 0.931 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.154 -0.065 -10.761 1.00 0.00 H new ATOM 1787 N ILE A 111 -10.098 0.314 -7.316 1.00 0.00 N ATOM 1788 CA ILE A 111 -8.659 -0.015 -7.115 1.00 0.00 C ATOM 1789 C ILE A 111 -8.532 -1.440 -6.572 1.00 0.00 C ATOM 1790 O ILE A 111 -7.809 -2.256 -7.107 1.00 0.00 O ATOM 1791 CB ILE A 111 -8.046 0.968 -6.116 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -8.359 2.401 -6.554 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -6.530 0.770 -6.070 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -7.536 2.747 -7.797 1.00 0.00 C ATOM 0 H ILE A 111 -10.501 0.941 -6.619 1.00 0.00 H new ATOM 0 HA ILE A 111 -8.133 0.059 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 111 -8.466 0.789 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.423 2.502 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.129 3.097 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.093 1.470 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -6.306 -0.250 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.110 0.949 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.759 3.767 -8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.474 2.662 -7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.788 2.058 -8.603 1.00 0.00 H new ATOM 1806 N ARG A 112 -9.230 -1.745 -5.512 1.00 0.00 N ATOM 1807 CA ARG A 112 -9.149 -3.116 -4.936 1.00 0.00 C ATOM 1808 C ARG A 112 -9.771 -4.118 -5.911 1.00 0.00 C ATOM 1809 O ARG A 112 -9.506 -5.303 -5.853 1.00 0.00 O ATOM 1810 CB ARG A 112 -9.909 -3.158 -3.608 1.00 0.00 C ATOM 1811 CG ARG A 112 -11.400 -2.934 -3.866 1.00 0.00 C ATOM 1812 CD ARG A 112 -12.084 -2.506 -2.567 1.00 0.00 C ATOM 1813 NE ARG A 112 -13.560 -2.665 -2.707 1.00 0.00 N ATOM 1814 CZ ARG A 112 -14.367 -2.053 -1.884 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -13.887 -1.297 -0.932 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -15.658 -2.196 -2.010 1.00 0.00 N ATOM 0 H ARG A 112 -9.853 -1.104 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.104 -3.376 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.754 -4.120 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.527 -2.392 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.537 -2.169 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.856 -3.849 -4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.720 -3.109 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.839 -1.469 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.940 -3.254 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.878 -1.184 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.521 -0.820 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -16.036 -2.786 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.289 -1.718 -1.367 1.00 0.00 H new ATOM 1830 N ASP A 113 -10.596 -3.653 -6.808 1.00 0.00 N ATOM 1831 CA ASP A 113 -11.233 -4.579 -7.786 1.00 0.00 C ATOM 1832 C ASP A 113 -10.222 -4.952 -8.871 1.00 0.00 C ATOM 1833 O ASP A 113 -10.009 -6.111 -9.163 1.00 0.00 O ATOM 1834 CB ASP A 113 -12.440 -3.891 -8.428 1.00 0.00 C ATOM 1835 CG ASP A 113 -13.637 -3.965 -7.479 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -13.465 -4.468 -6.380 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -14.704 -3.519 -7.865 1.00 0.00 O ATOM 0 H ASP A 113 -10.857 -2.672 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.560 -5.482 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.203 -2.851 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.684 -4.372 -9.375 1.00 0.00 H new ATOM 1842 N ALA A 114 -9.596 -3.977 -9.473 1.00 0.00 N ATOM 1843 CA ALA A 114 -8.599 -4.277 -10.538 1.00 0.00 C ATOM 1844 C ALA A 114 -7.429 -5.061 -9.939 1.00 0.00 C ATOM 1845 O ALA A 114 -7.029 -6.087 -10.453 1.00 0.00 O ATOM 1846 CB ALA A 114 -8.081 -2.967 -11.136 1.00 0.00 C ATOM 0 H ALA A 114 -9.733 -2.986 -9.273 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.072 -4.872 -11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.351 -3.186 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -8.913 -2.409 -11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.609 -2.372 -10.354 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.878 -4.587 -8.856 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.734 -5.306 -8.226 1.00 0.00 C ATOM 1854 C VAL A 115 -6.153 -6.739 -7.893 1.00 0.00 C ATOM 1855 O VAL A 115 -5.470 -7.688 -8.224 1.00 0.00 O ATOM 1856 CB VAL A 115 -5.323 -4.583 -6.942 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -4.315 -5.439 -6.175 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.684 -3.239 -7.296 1.00 0.00 C ATOM 0 H VAL A 115 -7.170 -3.733 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.892 -5.326 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.204 -4.415 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.022 -4.924 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.769 -6.397 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.434 -5.607 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.391 -2.723 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.803 -3.407 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.402 -2.628 -7.843 1.00 0.00 H new ATOM 1868 N LYS A 116 -7.271 -6.905 -7.239 1.00 0.00 N ATOM 1869 CA LYS A 116 -7.730 -8.277 -6.886 1.00 0.00 C ATOM 1870 C LYS A 116 -7.967 -9.083 -8.165 1.00 0.00 C ATOM 1871 O LYS A 116 -7.851 -10.292 -8.179 1.00 0.00 O ATOM 1872 CB LYS A 116 -9.035 -8.189 -6.091 1.00 0.00 C ATOM 1873 CG LYS A 116 -8.736 -7.700 -4.672 1.00 0.00 C ATOM 1874 CD LYS A 116 -8.866 -8.866 -3.691 1.00 0.00 C ATOM 1875 CE LYS A 116 -10.343 -9.220 -3.511 1.00 0.00 C ATOM 1876 NZ LYS A 116 -10.631 -10.512 -4.195 1.00 0.00 N ATOM 0 H LYS A 116 -7.885 -6.150 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.968 -8.770 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.728 -7.507 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.519 -9.165 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.731 -7.282 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.426 -6.902 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.317 -9.731 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.426 -8.598 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.583 -9.296 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.970 -8.430 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.413 -10.382 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.783 -10.831 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.898 -11.227 -3.488 1.00 0.00 H new ATOM 1890 N LYS A 117 -8.295 -8.422 -9.242 1.00 0.00 N ATOM 1891 CA LYS A 117 -8.538 -9.150 -10.519 1.00 0.00 C ATOM 1892 C LYS A 117 -7.203 -9.416 -11.215 1.00 0.00 C ATOM 1893 O LYS A 117 -7.102 -10.259 -12.084 1.00 0.00 O ATOM 1894 CB LYS A 117 -9.428 -8.302 -11.429 1.00 0.00 C ATOM 1895 CG LYS A 117 -10.896 -8.519 -11.055 1.00 0.00 C ATOM 1896 CD LYS A 117 -11.631 -9.171 -12.228 1.00 0.00 C ATOM 1897 CE LYS A 117 -11.984 -10.616 -11.871 1.00 0.00 C ATOM 1898 NZ LYS A 117 -13.466 -10.771 -11.839 1.00 0.00 N ATOM 0 H LYS A 117 -8.405 -7.409 -9.292 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.034 -10.098 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.168 -7.248 -11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -9.264 -8.574 -12.472 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.967 -9.152 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.363 -7.567 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -12.537 -8.611 -12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.006 -9.148 -13.120 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.552 -11.299 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.559 -10.877 -10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.707 -11.753 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.867 -10.130 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.860 -10.539 -12.773 1.00 0.00 H new ATOM 1912 N TYR A 118 -6.176 -8.703 -10.841 1.00 0.00 N ATOM 1913 CA TYR A 118 -4.847 -8.915 -11.483 1.00 0.00 C ATOM 1914 C TYR A 118 -4.069 -9.977 -10.704 1.00 0.00 C ATOM 1915 O TYR A 118 -3.875 -11.083 -11.167 1.00 0.00 O ATOM 1916 CB TYR A 118 -4.063 -7.602 -11.478 1.00 0.00 C ATOM 1917 CG TYR A 118 -4.552 -6.718 -12.600 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -4.731 -7.248 -13.883 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -4.830 -5.367 -12.357 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -5.185 -6.429 -14.923 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -5.284 -4.547 -13.397 1.00 0.00 C ATOM 1922 CZ TYR A 118 -5.462 -5.078 -14.680 1.00 0.00 C ATOM 1923 OH TYR A 118 -5.909 -4.270 -15.705 1.00 0.00 O ATOM 0 H TYR A 118 -6.199 -7.983 -10.119 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.989 -9.249 -12.511 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.188 -7.095 -10.521 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.998 -7.802 -11.596 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.519 -8.290 -14.071 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.694 -4.958 -11.367 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.322 -6.839 -15.913 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.497 -3.505 -13.209 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.054 -3.362 -15.366 1.00 0.00 H new ATOM 1933 N LEU A 119 -3.622 -9.650 -9.522 1.00 0.00 N ATOM 1934 CA LEU A 119 -2.856 -10.642 -8.714 1.00 0.00 C ATOM 1935 C LEU A 119 -3.829 -11.446 -7.844 1.00 0.00 C ATOM 1936 O LEU A 119 -4.762 -10.894 -7.294 1.00 0.00 O ATOM 1937 CB LEU A 119 -1.858 -9.903 -7.819 1.00 0.00 C ATOM 1938 CG LEU A 119 -1.150 -10.904 -6.905 1.00 0.00 C ATOM 1939 CD1 LEU A 119 0.122 -11.410 -7.590 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -0.778 -10.216 -5.589 1.00 0.00 C ATOM 0 H LEU A 119 -3.754 -8.740 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.317 -11.319 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.127 -9.374 -8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.376 -9.153 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.814 -11.745 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.627 -12.123 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.140 -11.898 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.786 -10.569 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.273 -10.928 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.114 -9.376 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.682 -9.853 -5.100 1.00 0.00 H new ATOM 1952 N PRO A 120 -3.582 -12.728 -7.741 1.00 0.00 N ATOM 1953 CA PRO A 120 -4.423 -13.636 -6.942 1.00 0.00 C ATOM 1954 C PRO A 120 -4.094 -13.494 -5.452 1.00 0.00 C ATOM 1955 O PRO A 120 -2.947 -13.389 -5.066 1.00 0.00 O ATOM 1956 CB PRO A 120 -4.040 -15.026 -7.455 1.00 0.00 C ATOM 1957 CG PRO A 120 -2.636 -14.887 -8.088 1.00 0.00 C ATOM 1958 CD PRO A 120 -2.445 -13.393 -8.412 1.00 0.00 C ATOM 0 HA PRO A 120 -5.489 -13.431 -7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -4.029 -15.751 -6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -4.763 -15.382 -8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -1.865 -15.236 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -2.556 -15.492 -8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -1.490 -13.023 -8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -2.457 -13.214 -9.487 1.00 0.00 H new ATOM 1966 N LEU A 121 -5.093 -13.492 -4.612 1.00 0.00 N ATOM 1967 CA LEU A 121 -4.838 -13.358 -3.151 1.00 0.00 C ATOM 1968 C LEU A 121 -5.855 -14.199 -2.376 1.00 0.00 C ATOM 1969 O LEU A 121 -6.935 -14.480 -2.855 1.00 0.00 O ATOM 1970 CB LEU A 121 -4.975 -11.889 -2.742 1.00 0.00 C ATOM 1971 CG LEU A 121 -3.668 -11.413 -2.105 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -3.404 -12.208 -0.825 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -2.515 -11.632 -3.087 1.00 0.00 C ATOM 0 H LEU A 121 -6.075 -13.577 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.830 -13.707 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.211 -11.278 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.799 -11.772 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.746 -10.353 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.473 -11.869 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.226 -12.054 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.325 -13.268 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.583 -11.293 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.438 -12.692 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.702 -11.066 -4.000 1.00 0.00 H new