USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 870 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: B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: B 35 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Set 2.1: B 8 ASN : amide:sc= -2.13 K(o=-3.1,f=-11!) USER MOD Set 2.2: B 10 ASN : amide:sc= -0.95 K(o=-3.1,f=-11!) USER MOD Set 3.1: B 1 MET CE :methyl -97:sc= -2.82 (180deg=-6.07!) USER MOD Set 3.2: B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 35 ASN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Set 5.1: A 8 ASN : amide:sc= -1.99 K(o=-3,f=-11!) USER MOD Set 5.2: A 10 ASN : amide:sc= -0.989 K(o=-3,f=-10!) USER MOD Set 6.1: A 1 MET CE :methyl 136:sc= -2.92 (180deg=-6.28!) USER MOD Set 6.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0.208 (180deg=0.176) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -1.96 F(o=-3!,f=-2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.041) USER MOD Single : A 32 LYS NZ :NH3+ -112:sc= 0.542 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0.522 (180deg=0.52) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= -0.352 (180deg=-0.406) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -170:sc= 0.214 (180deg=0.174) USER MOD Single : B 9 HIS :FLIP no HD1:sc= -2.02 F(o=-3.1!,f=-2) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.032) USER MOD Single : B 32 LYS NZ :NH3+ 173:sc= 0.955 (180deg=0.911) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 178:sc= 0.524 (180deg=0.522) USER MOD Single : B 45 LYS NZ :NH3+ -176:sc= -0.384 (180deg=-0.439) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.208 16.893 7.981 1.00 0.00 N ATOM 2 CA MET A 1 -9.608 15.488 7.669 1.00 0.00 C ATOM 3 C MET A 1 -10.045 15.388 6.205 1.00 0.00 C ATOM 4 O MET A 1 -10.969 16.055 5.778 1.00 0.00 O ATOM 5 CB MET A 1 -10.775 15.068 8.573 1.00 0.00 C ATOM 6 CG MET A 1 -10.236 14.514 9.894 1.00 0.00 C ATOM 7 SD MET A 1 -11.527 14.607 11.161 1.00 0.00 S ATOM 8 CE MET A 1 -12.308 13.009 10.820 1.00 0.00 C ATOM 0 H1 MET A 1 -8.912 16.957 8.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.418 17.174 7.366 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.015 17.528 7.819 1.00 0.00 H new ATOM 0 HA MET A 1 -8.757 14.830 7.842 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.424 15.922 8.765 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.381 14.313 8.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.914 13.481 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.361 15.083 10.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.517 12.498 11.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.240 13.168 10.278 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.637 12.398 10.216 1.00 0.00 H new ATOM 20 N LYS A 2 -9.391 14.553 5.435 1.00 0.00 N ATOM 21 CA LYS A 2 -9.757 14.384 4.004 1.00 0.00 C ATOM 22 C LYS A 2 -9.432 12.955 3.563 1.00 0.00 C ATOM 23 O LYS A 2 -8.515 12.332 4.067 1.00 0.00 O ATOM 24 CB LYS A 2 -8.981 15.372 3.138 1.00 0.00 C ATOM 25 CG LYS A 2 -7.505 15.390 3.544 1.00 0.00 C ATOM 26 CD LYS A 2 -7.132 16.777 4.078 1.00 0.00 C ATOM 27 CE LYS A 2 -7.211 17.806 2.944 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.928 17.817 2.185 1.00 0.00 N ATOM 0 H LYS A 2 -8.610 13.976 5.746 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.824 14.574 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.073 15.095 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.406 16.370 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.319 14.634 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.879 15.139 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.807 17.060 4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.125 16.758 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.038 17.563 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.412 18.797 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.985 18.516 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.148 18.069 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.755 16.874 1.783 1.00 0.00 H new ATOM 42 N ILE A 3 -10.183 12.438 2.629 1.00 0.00 N ATOM 43 CA ILE A 3 -9.945 11.044 2.142 1.00 0.00 C ATOM 44 C ILE A 3 -8.796 11.035 1.129 1.00 0.00 C ATOM 45 O ILE A 3 -8.942 11.470 0.001 1.00 0.00 O ATOM 46 CB ILE A 3 -11.226 10.500 1.493 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.332 10.398 2.552 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.960 9.111 0.905 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.568 11.169 2.083 1.00 0.00 C ATOM 0 H ILE A 3 -10.958 12.924 2.177 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.675 10.408 2.985 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.540 11.176 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.588 9.353 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.978 10.801 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.872 8.730 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.175 9.179 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.643 8.434 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.351 11.094 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.308 12.217 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.926 10.746 1.145 1.00 0.00 H new ATOM 61 N LYS A 4 -7.658 10.530 1.535 1.00 0.00 N ATOM 62 CA LYS A 4 -6.483 10.465 0.621 1.00 0.00 C ATOM 63 C LYS A 4 -6.526 9.152 -0.168 1.00 0.00 C ATOM 64 O LYS A 4 -6.149 9.105 -1.325 1.00 0.00 O ATOM 65 CB LYS A 4 -5.193 10.529 1.447 1.00 0.00 C ATOM 66 CG LYS A 4 -4.079 11.174 0.617 1.00 0.00 C ATOM 67 CD LYS A 4 -3.260 10.086 -0.082 1.00 0.00 C ATOM 68 CE LYS A 4 -3.187 10.378 -1.583 1.00 0.00 C ATOM 69 NZ LYS A 4 -3.286 9.101 -2.347 1.00 0.00 N ATOM 0 H LYS A 4 -7.494 10.157 2.470 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.510 11.305 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.361 11.105 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.896 9.526 1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.508 11.851 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.433 11.772 1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.256 10.046 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.715 9.110 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.995 11.050 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.251 10.884 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.084 9.281 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.597 8.418 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.246 8.712 -2.251 1.00 0.00 H new ATOM 83 N ARG A 5 -6.988 8.088 0.452 1.00 0.00 N ATOM 84 CA ARG A 5 -7.065 6.771 -0.249 1.00 0.00 C ATOM 85 C ARG A 5 -8.354 6.039 0.140 1.00 0.00 C ATOM 86 O ARG A 5 -9.058 6.432 1.056 1.00 0.00 O ATOM 87 CB ARG A 5 -5.867 5.906 0.151 1.00 0.00 C ATOM 88 CG ARG A 5 -4.611 6.362 -0.596 1.00 0.00 C ATOM 89 CD ARG A 5 -3.422 5.493 -0.172 1.00 0.00 C ATOM 90 NE ARG A 5 -3.155 5.676 1.285 1.00 0.00 N ATOM 91 CZ ARG A 5 -2.557 6.756 1.713 1.00 0.00 C ATOM 92 NH1 ARG A 5 -1.251 6.828 1.707 1.00 0.00 N ATOM 93 NH2 ARG A 5 -3.268 7.764 2.148 1.00 0.00 N ATOM 0 H ARG A 5 -7.315 8.080 1.418 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.057 6.947 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.704 5.974 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.073 4.860 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.766 6.285 -1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.405 7.410 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.633 4.445 -0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.538 5.763 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.440 4.956 1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.698 6.041 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.785 7.672 2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.286 7.706 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.804 8.608 2.483 1.00 0.00 H new ATOM 107 N ILE A 6 -8.655 4.965 -0.549 1.00 0.00 N ATOM 108 CA ILE A 6 -9.881 4.170 -0.241 1.00 0.00 C ATOM 109 C ILE A 6 -9.492 2.699 -0.077 1.00 0.00 C ATOM 110 O ILE A 6 -8.894 2.100 -0.956 1.00 0.00 O ATOM 111 CB ILE A 6 -10.899 4.310 -1.381 1.00 0.00 C ATOM 112 CG1 ILE A 6 -11.192 5.794 -1.636 1.00 0.00 C ATOM 113 CG2 ILE A 6 -12.199 3.598 -0.997 1.00 0.00 C ATOM 114 CD1 ILE A 6 -10.419 6.266 -2.869 1.00 0.00 C ATOM 0 H ILE A 6 -8.095 4.603 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.332 4.539 0.680 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.487 3.861 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.261 5.943 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.906 6.386 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.921 3.698 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.997 2.542 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.606 4.047 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.629 7.321 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.350 6.132 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.727 5.682 -3.737 1.00 0.00 H new ATOM 126 N LEU A 7 -9.829 2.122 1.045 1.00 0.00 N ATOM 127 CA LEU A 7 -9.498 0.694 1.301 1.00 0.00 C ATOM 128 C LEU A 7 -10.649 -0.178 0.798 1.00 0.00 C ATOM 129 O LEU A 7 -10.444 -1.148 0.092 1.00 0.00 O ATOM 130 CB LEU A 7 -9.297 0.493 2.801 1.00 0.00 C ATOM 131 CG LEU A 7 -8.119 1.352 3.264 1.00 0.00 C ATOM 132 CD1 LEU A 7 -8.303 1.737 4.733 1.00 0.00 C ATOM 133 CD2 LEU A 7 -6.817 0.568 3.102 1.00 0.00 C ATOM 0 H LEU A 7 -10.326 2.588 1.804 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.583 0.414 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.201 0.770 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.105 -0.558 3.018 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.077 2.257 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.461 2.349 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.228 2.302 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.352 0.835 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.979 1.182 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.861 -0.340 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.681 0.302 2.054 1.00 0.00 H new ATOM 145 N ASN A 8 -11.860 0.191 1.136 1.00 0.00 N ATOM 146 CA ASN A 8 -13.056 -0.573 0.667 1.00 0.00 C ATOM 147 C ASN A 8 -14.332 0.242 0.952 1.00 0.00 C ATOM 148 O ASN A 8 -14.267 1.425 1.238 1.00 0.00 O ATOM 149 CB ASN A 8 -13.108 -1.969 1.328 1.00 0.00 C ATOM 150 CG ASN A 8 -13.545 -1.883 2.791 1.00 0.00 C ATOM 151 OD1 ASN A 8 -14.705 -1.691 3.083 1.00 0.00 O ATOM 152 ND2 ASN A 8 -12.666 -2.056 3.734 1.00 0.00 N ATOM 0 H ASN A 8 -12.072 0.998 1.723 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.984 -0.732 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.800 -2.607 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.126 -2.437 1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.955 -2.030 4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.688 -2.218 3.496 1.00 0.00 H new ATOM 159 N HIS A 9 -15.486 -0.374 0.846 1.00 0.00 N ATOM 160 CA HIS A 9 -16.781 0.356 1.077 1.00 0.00 C ATOM 161 C HIS A 9 -16.833 1.002 2.476 1.00 0.00 C ATOM 162 O HIS A 9 -17.550 1.965 2.685 1.00 0.00 O ATOM 163 CB HIS A 9 -17.939 -0.638 0.940 1.00 0.00 C ATOM 164 CG HIS A 9 -19.224 0.107 0.694 1.00 0.00 C ATOM 165 ND1 HIS A 9 -20.293 0.384 1.510 1.00 0.00 N flip ATOM 166 CD2 HIS A 9 -19.529 0.671 -0.535 1.00 0.00 C flip ATOM 167 CE1 HIS A 9 -21.247 1.108 0.801 1.00 0.00 C flip ATOM 168 NE2 HIS A 9 -20.736 1.252 -0.425 1.00 0.00 N flip ATOM 0 H HIS A 9 -15.590 -1.360 0.607 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.860 1.152 0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.744 -1.327 0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.024 -1.239 1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.910 0.648 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -22.196 1.474 1.164 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -21.205 1.744 -1.186 1.00 0.00 H new ATOM 176 N ASN A 10 -16.114 0.469 3.435 1.00 0.00 N ATOM 177 CA ASN A 10 -16.154 1.030 4.818 1.00 0.00 C ATOM 178 C ASN A 10 -14.781 1.557 5.254 1.00 0.00 C ATOM 179 O ASN A 10 -14.699 2.453 6.072 1.00 0.00 O ATOM 180 CB ASN A 10 -16.584 -0.071 5.791 1.00 0.00 C ATOM 181 CG ASN A 10 -17.578 -1.025 5.115 1.00 0.00 C ATOM 182 OD1 ASN A 10 -18.686 -0.641 4.792 1.00 0.00 O ATOM 183 ND2 ASN A 10 -17.225 -2.259 4.880 1.00 0.00 N ATOM 0 H ASN A 10 -15.498 -0.335 3.316 1.00 0.00 H new ATOM 0 HA ASN A 10 -16.861 1.859 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.710 -0.627 6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.041 0.374 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.878 -2.899 4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.297 -2.584 5.150 1.00 0.00 H new ATOM 190 N ALA A 11 -13.712 1.000 4.749 1.00 0.00 N ATOM 191 CA ALA A 11 -12.361 1.459 5.176 1.00 0.00 C ATOM 192 C ALA A 11 -11.780 2.460 4.176 1.00 0.00 C ATOM 193 O ALA A 11 -11.916 2.311 2.976 1.00 0.00 O ATOM 194 CB ALA A 11 -11.429 0.252 5.293 1.00 0.00 C ATOM 0 H ALA A 11 -13.718 0.248 4.060 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.453 1.954 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.439 0.585 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.827 -0.445 6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.356 -0.246 4.326 1.00 0.00 H new ATOM 200 N ILE A 12 -11.124 3.477 4.681 1.00 0.00 N ATOM 201 CA ILE A 12 -10.502 4.511 3.805 1.00 0.00 C ATOM 202 C ILE A 12 -9.302 5.136 4.529 1.00 0.00 C ATOM 203 O ILE A 12 -9.266 5.193 5.745 1.00 0.00 O ATOM 204 CB ILE A 12 -11.524 5.610 3.489 1.00 0.00 C ATOM 205 CG1 ILE A 12 -12.307 5.968 4.759 1.00 0.00 C ATOM 206 CG2 ILE A 12 -12.494 5.125 2.408 1.00 0.00 C ATOM 207 CD1 ILE A 12 -12.790 7.416 4.675 1.00 0.00 C ATOM 0 H ILE A 12 -10.993 3.634 5.680 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.174 4.043 2.877 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.997 6.493 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.158 5.297 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.675 5.836 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.217 5.911 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.938 4.881 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -13.019 4.238 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.346 7.667 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.932 8.081 4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.438 7.534 3.806 1.00 0.00 H new ATOM 219 N VAL A 13 -8.327 5.612 3.793 1.00 0.00 N ATOM 220 CA VAL A 13 -7.137 6.245 4.436 1.00 0.00 C ATOM 221 C VAL A 13 -7.283 7.765 4.350 1.00 0.00 C ATOM 222 O VAL A 13 -7.372 8.327 3.274 1.00 0.00 O ATOM 223 CB VAL A 13 -5.852 5.812 3.720 1.00 0.00 C ATOM 224 CG1 VAL A 13 -4.643 6.141 4.598 1.00 0.00 C ATOM 225 CG2 VAL A 13 -5.886 4.303 3.448 1.00 0.00 C ATOM 0 H VAL A 13 -8.306 5.589 2.773 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.078 5.931 5.478 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.775 6.346 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.729 5.833 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.610 7.214 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.727 5.610 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.969 4.004 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.969 3.765 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.744 4.066 2.819 1.00 0.00 H new ATOM 235 N VAL A 14 -7.315 8.432 5.477 1.00 0.00 N ATOM 236 CA VAL A 14 -7.464 9.919 5.473 1.00 0.00 C ATOM 237 C VAL A 14 -6.290 10.556 6.231 1.00 0.00 C ATOM 238 O VAL A 14 -5.834 10.042 7.233 1.00 0.00 O ATOM 239 CB VAL A 14 -8.820 10.328 6.109 1.00 0.00 C ATOM 240 CG1 VAL A 14 -9.447 9.149 6.860 1.00 0.00 C ATOM 241 CG2 VAL A 14 -8.632 11.497 7.087 1.00 0.00 C ATOM 0 H VAL A 14 -7.244 8.009 6.402 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.453 10.279 4.444 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.482 10.635 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.396 9.459 7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.619 8.326 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.773 8.822 7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.595 11.767 7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.947 11.200 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.221 12.355 6.554 1.00 0.00 H new ATOM 251 N LYS A 15 -5.811 11.678 5.756 1.00 0.00 N ATOM 252 CA LYS A 15 -4.674 12.371 6.437 1.00 0.00 C ATOM 253 C LYS A 15 -5.220 13.307 7.518 1.00 0.00 C ATOM 254 O LYS A 15 -6.326 13.810 7.423 1.00 0.00 O ATOM 255 CB LYS A 15 -3.854 13.176 5.419 1.00 0.00 C ATOM 256 CG LYS A 15 -4.740 14.218 4.727 1.00 0.00 C ATOM 257 CD LYS A 15 -3.955 14.893 3.599 1.00 0.00 C ATOM 258 CE LYS A 15 -4.334 14.258 2.258 1.00 0.00 C ATOM 259 NZ LYS A 15 -3.329 14.634 1.224 1.00 0.00 N ATOM 0 H LYS A 15 -6.161 12.147 4.920 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.026 11.624 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.023 13.671 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.423 12.504 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.634 13.741 4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.073 14.964 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.171 15.961 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.884 14.787 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.379 13.174 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.326 14.592 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.588 14.202 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.307 15.669 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.390 14.294 1.513 1.00 0.00 H new ATOM 273 N ASP A 16 -4.446 13.530 8.548 1.00 0.00 N ATOM 274 CA ASP A 16 -4.897 14.420 9.660 1.00 0.00 C ATOM 275 C ASP A 16 -3.731 15.285 10.160 1.00 0.00 C ATOM 276 O ASP A 16 -2.642 15.262 9.611 1.00 0.00 O ATOM 277 CB ASP A 16 -5.425 13.554 10.810 1.00 0.00 C ATOM 278 CG ASP A 16 -6.958 13.565 10.802 1.00 0.00 C ATOM 279 OD1 ASP A 16 -7.533 12.927 9.935 1.00 0.00 O ATOM 280 OD2 ASP A 16 -7.530 14.209 11.666 1.00 0.00 O ATOM 0 H ASP A 16 -3.515 13.131 8.668 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.686 15.077 9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.058 12.533 10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.054 13.932 11.763 1.00 0.00 H new ATOM 285 N GLN A 17 -3.966 16.051 11.203 1.00 0.00 N ATOM 286 CA GLN A 17 -2.902 16.935 11.772 1.00 0.00 C ATOM 287 C GLN A 17 -1.665 16.111 12.115 1.00 0.00 C ATOM 288 O GLN A 17 -0.553 16.488 11.792 1.00 0.00 O ATOM 289 CB GLN A 17 -3.427 17.608 13.043 1.00 0.00 C ATOM 290 CG GLN A 17 -3.710 19.086 12.764 1.00 0.00 C ATOM 291 CD GLN A 17 -4.379 19.720 13.987 1.00 0.00 C ATOM 292 OE1 GLN A 17 -3.721 20.332 14.803 1.00 0.00 O ATOM 293 NE2 GLN A 17 -5.669 19.598 14.148 1.00 0.00 N ATOM 0 H GLN A 17 -4.862 16.099 11.688 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.636 17.692 11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.336 17.111 13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.695 17.513 13.845 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.781 19.608 12.534 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.356 19.185 11.891 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.222 19.084 13.462 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.124 20.017 14.959 1.00 0.00 H new ATOM 302 N ASN A 18 -1.855 14.995 12.769 1.00 0.00 N ATOM 303 CA ASN A 18 -0.697 14.136 13.142 1.00 0.00 C ATOM 304 C ASN A 18 0.027 13.673 11.873 1.00 0.00 C ATOM 305 O ASN A 18 1.218 13.879 11.725 1.00 0.00 O ATOM 306 CB ASN A 18 -1.186 12.919 13.931 1.00 0.00 C ATOM 307 CG ASN A 18 -1.477 13.325 15.378 1.00 0.00 C ATOM 308 OD1 ASN A 18 -0.597 13.306 16.216 1.00 0.00 O ATOM 309 ND2 ASN A 18 -2.685 13.694 15.710 1.00 0.00 N ATOM 0 H ASN A 18 -2.766 14.642 13.061 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.009 14.710 13.763 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.086 12.512 13.469 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.432 12.132 13.909 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.889 13.966 16.672 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.424 13.710 15.008 1.00 0.00 H new ATOM 316 N GLU A 19 -0.691 13.065 10.950 1.00 0.00 N ATOM 317 CA GLU A 19 -0.060 12.593 9.677 1.00 0.00 C ATOM 318 C GLU A 19 -1.101 11.859 8.830 1.00 0.00 C ATOM 319 O GLU A 19 -1.589 12.381 7.844 1.00 0.00 O ATOM 320 CB GLU A 19 1.117 11.652 9.981 1.00 0.00 C ATOM 321 CG GLU A 19 2.244 11.900 8.971 1.00 0.00 C ATOM 322 CD GLU A 19 2.234 10.802 7.901 1.00 0.00 C ATOM 323 OE1 GLU A 19 1.359 10.834 7.050 1.00 0.00 O ATOM 324 OE2 GLU A 19 3.104 9.948 7.950 1.00 0.00 O ATOM 0 H GLU A 19 -1.690 12.877 11.028 1.00 0.00 H new ATOM 0 HA GLU A 19 0.314 13.457 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.479 11.821 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.789 10.614 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.118 12.877 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.207 11.913 9.482 1.00 0.00 H new ATOM 331 N GLU A 20 -1.429 10.650 9.204 1.00 0.00 N ATOM 332 CA GLU A 20 -2.422 9.857 8.432 1.00 0.00 C ATOM 333 C GLU A 20 -3.193 8.916 9.364 1.00 0.00 C ATOM 334 O GLU A 20 -2.662 8.417 10.340 1.00 0.00 O ATOM 335 CB GLU A 20 -1.676 9.032 7.390 1.00 0.00 C ATOM 336 CG GLU A 20 -2.591 8.752 6.196 1.00 0.00 C ATOM 337 CD GLU A 20 -1.763 8.190 5.037 1.00 0.00 C ATOM 338 OE1 GLU A 20 -1.589 6.983 4.988 1.00 0.00 O ATOM 339 OE2 GLU A 20 -1.316 8.976 4.216 1.00 0.00 O ATOM 0 H GLU A 20 -1.045 10.176 10.021 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.131 10.531 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.785 9.567 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.339 8.093 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.368 8.042 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.093 9.669 5.887 1.00 0.00 H new ATOM 346 N LYS A 21 -4.441 8.665 9.050 1.00 0.00 N ATOM 347 CA LYS A 21 -5.273 7.749 9.884 1.00 0.00 C ATOM 348 C LYS A 21 -6.316 7.059 8.998 1.00 0.00 C ATOM 349 O LYS A 21 -6.909 7.671 8.130 1.00 0.00 O ATOM 350 CB LYS A 21 -5.986 8.525 10.997 1.00 0.00 C ATOM 351 CG LYS A 21 -6.545 9.848 10.456 1.00 0.00 C ATOM 352 CD LYS A 21 -8.035 9.948 10.790 1.00 0.00 C ATOM 353 CE LYS A 21 -8.216 10.685 12.119 1.00 0.00 C ATOM 354 NZ LYS A 21 -9.560 11.331 12.153 1.00 0.00 N ATOM 0 H LYS A 21 -4.921 9.061 8.242 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.620 7.005 10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.796 7.922 11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.291 8.723 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.006 10.689 10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.399 9.903 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.561 10.476 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.471 8.951 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.116 9.987 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.436 11.437 12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.682 11.831 13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.639 12.009 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.297 10.604 12.058 1.00 0.00 H new ATOM 368 N ILE A 22 -6.546 5.791 9.222 1.00 0.00 N ATOM 369 CA ILE A 22 -7.552 5.048 8.409 1.00 0.00 C ATOM 370 C ILE A 22 -8.907 5.099 9.123 1.00 0.00 C ATOM 371 O ILE A 22 -9.014 4.794 10.299 1.00 0.00 O ATOM 372 CB ILE A 22 -7.095 3.590 8.218 1.00 0.00 C ATOM 373 CG1 ILE A 22 -6.237 3.490 6.953 1.00 0.00 C ATOM 374 CG2 ILE A 22 -8.309 2.667 8.064 1.00 0.00 C ATOM 375 CD1 ILE A 22 -4.846 4.061 7.225 1.00 0.00 C ATOM 0 H ILE A 22 -6.077 5.236 9.938 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.648 5.509 7.426 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.519 3.286 9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.158 2.450 6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.711 4.035 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.970 1.640 7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.930 2.731 8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.891 2.974 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.240 3.988 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.933 5.107 7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.372 3.496 8.028 1.00 0.00 H new ATOM 387 N LEU A 23 -9.936 5.489 8.414 1.00 0.00 N ATOM 388 CA LEU A 23 -11.292 5.576 9.028 1.00 0.00 C ATOM 389 C LEU A 23 -12.134 4.367 8.601 1.00 0.00 C ATOM 390 O LEU A 23 -12.479 4.216 7.442 1.00 0.00 O ATOM 391 CB LEU A 23 -11.982 6.870 8.568 1.00 0.00 C ATOM 392 CG LEU A 23 -12.798 7.516 9.708 1.00 0.00 C ATOM 393 CD1 LEU A 23 -12.990 6.548 10.883 1.00 0.00 C ATOM 394 CD2 LEU A 23 -12.071 8.772 10.199 1.00 0.00 C ATOM 0 H LEU A 23 -9.893 5.752 7.430 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.195 5.581 10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.232 7.576 8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.640 6.653 7.727 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.783 7.773 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.569 7.037 11.667 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.521 5.660 10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.016 6.258 11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.643 9.232 11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.082 8.499 10.567 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.970 9.479 9.376 1.00 0.00 H new ATOM 406 N LEU A 24 -12.475 3.514 9.538 1.00 0.00 N ATOM 407 CA LEU A 24 -13.306 2.319 9.210 1.00 0.00 C ATOM 408 C LEU A 24 -14.762 2.619 9.580 1.00 0.00 C ATOM 409 O LEU A 24 -15.129 2.613 10.740 1.00 0.00 O ATOM 410 CB LEU A 24 -12.820 1.098 10.007 1.00 0.00 C ATOM 411 CG LEU A 24 -11.308 0.912 9.833 1.00 0.00 C ATOM 412 CD1 LEU A 24 -10.855 -0.319 10.622 1.00 0.00 C ATOM 413 CD2 LEU A 24 -10.980 0.714 8.351 1.00 0.00 C ATOM 0 H LEU A 24 -12.211 3.597 10.520 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.222 2.099 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.058 1.227 11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.344 0.204 9.670 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.790 1.797 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.780 -0.454 10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.086 -0.179 11.678 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.376 -1.201 10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.905 0.582 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.498 -0.170 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.304 1.589 7.787 1.00 0.00 H new ATOM 425 N GLY A 25 -15.589 2.888 8.598 1.00 0.00 N ATOM 426 CA GLY A 25 -17.023 3.196 8.874 1.00 0.00 C ATOM 427 C GLY A 25 -17.896 2.468 7.855 1.00 0.00 C ATOM 428 O GLY A 25 -17.724 2.629 6.665 1.00 0.00 O ATOM 0 H GLY A 25 -15.328 2.907 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.286 2.885 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.195 4.271 8.816 1.00 0.00 H new ATOM 432 N ALA A 26 -18.818 1.662 8.319 1.00 0.00 N ATOM 433 CA ALA A 26 -19.711 0.897 7.395 1.00 0.00 C ATOM 434 C ALA A 26 -20.404 1.846 6.409 1.00 0.00 C ATOM 435 O ALA A 26 -21.369 2.515 6.736 1.00 0.00 O ATOM 436 CB ALA A 26 -20.766 0.142 8.202 1.00 0.00 C ATOM 0 H ALA A 26 -18.992 1.500 9.311 1.00 0.00 H new ATOM 0 HA ALA A 26 -19.103 0.188 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -21.414 -0.414 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.275 -0.552 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.363 0.852 8.774 1.00 0.00 H new ATOM 442 N GLY A 27 -19.906 1.889 5.203 1.00 0.00 N ATOM 443 CA GLY A 27 -20.500 2.766 4.150 1.00 0.00 C ATOM 444 C GLY A 27 -19.807 4.136 4.114 1.00 0.00 C ATOM 445 O GLY A 27 -20.269 5.039 3.440 1.00 0.00 O ATOM 0 H GLY A 27 -19.099 1.345 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.409 2.283 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.565 2.899 4.341 1.00 0.00 H new ATOM 449 N ILE A 28 -18.709 4.302 4.820 1.00 0.00 N ATOM 450 CA ILE A 28 -17.993 5.603 4.816 1.00 0.00 C ATOM 451 C ILE A 28 -17.517 5.918 3.391 1.00 0.00 C ATOM 452 O ILE A 28 -17.580 7.051 2.950 1.00 0.00 O ATOM 453 CB ILE A 28 -16.811 5.508 5.792 1.00 0.00 C ATOM 454 CG1 ILE A 28 -16.605 6.857 6.461 1.00 0.00 C ATOM 455 CG2 ILE A 28 -15.527 5.097 5.065 1.00 0.00 C ATOM 456 CD1 ILE A 28 -16.116 6.638 7.891 1.00 0.00 C ATOM 0 H ILE A 28 -18.282 3.580 5.401 1.00 0.00 H new ATOM 0 HA ILE A 28 -18.652 6.411 5.136 1.00 0.00 H new ATOM 0 HB ILE A 28 -17.039 4.748 6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.879 7.447 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -17.538 7.421 6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.707 5.038 5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -15.670 4.124 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.289 5.837 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.966 7.603 8.376 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -16.858 6.064 8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.174 6.091 7.873 1.00 0.00 H new ATOM 468 N ALA A 29 -17.064 4.917 2.662 1.00 0.00 N ATOM 469 CA ALA A 29 -16.612 5.146 1.258 1.00 0.00 C ATOM 470 C ALA A 29 -17.807 5.646 0.442 1.00 0.00 C ATOM 471 O ALA A 29 -17.678 6.529 -0.387 1.00 0.00 O ATOM 472 CB ALA A 29 -16.089 3.839 0.660 1.00 0.00 C ATOM 0 H ALA A 29 -16.991 3.953 2.986 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.810 5.883 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.761 4.013 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.249 3.478 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.884 3.093 0.664 1.00 0.00 H new ATOM 478 N PHE A 30 -18.979 5.101 0.700 1.00 0.00 N ATOM 479 CA PHE A 30 -20.200 5.551 -0.023 1.00 0.00 C ATOM 480 C PHE A 30 -20.549 6.964 0.454 1.00 0.00 C ATOM 481 O PHE A 30 -20.352 7.300 1.610 1.00 0.00 O ATOM 482 CB PHE A 30 -21.362 4.600 0.286 1.00 0.00 C ATOM 483 CG PHE A 30 -22.484 4.829 -0.701 1.00 0.00 C ATOM 484 CD1 PHE A 30 -22.437 4.233 -1.967 1.00 0.00 C ATOM 485 CD2 PHE A 30 -23.571 5.639 -0.348 1.00 0.00 C ATOM 486 CE1 PHE A 30 -23.475 4.448 -2.880 1.00 0.00 C ATOM 487 CE2 PHE A 30 -24.610 5.852 -1.263 1.00 0.00 C ATOM 488 CZ PHE A 30 -24.562 5.256 -2.528 1.00 0.00 C ATOM 0 H PHE A 30 -19.134 4.361 1.385 1.00 0.00 H new ATOM 0 HA PHE A 30 -20.022 5.551 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.022 3.566 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -21.719 4.765 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.600 3.607 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -23.608 6.099 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.437 3.990 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -25.448 6.476 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 30 -25.364 5.420 -3.233 1.00 0.00 H new ATOM 498 N ASN A 31 -21.049 7.790 -0.430 1.00 0.00 N ATOM 499 CA ASN A 31 -21.404 9.195 -0.050 1.00 0.00 C ATOM 500 C ASN A 31 -20.125 9.983 0.276 1.00 0.00 C ATOM 501 O ASN A 31 -20.152 10.951 1.016 1.00 0.00 O ATOM 502 CB ASN A 31 -22.335 9.174 1.172 1.00 0.00 C ATOM 503 CG ASN A 31 -23.135 10.478 1.241 1.00 0.00 C ATOM 504 OD1 ASN A 31 -22.866 11.325 2.071 1.00 0.00 O ATOM 505 ND2 ASN A 31 -24.113 10.678 0.399 1.00 0.00 N ATOM 0 H ASN A 31 -21.228 7.551 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 31 -21.915 9.679 -0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -23.014 8.324 1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -21.750 9.047 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -24.650 11.544 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -24.339 9.968 -0.298 1.00 0.00 H new ATOM 512 N LYS A 32 -19.011 9.572 -0.282 1.00 0.00 N ATOM 513 CA LYS A 32 -17.714 10.274 -0.026 1.00 0.00 C ATOM 514 C LYS A 32 -16.801 10.148 -1.257 1.00 0.00 C ATOM 515 O LYS A 32 -17.105 9.438 -2.201 1.00 0.00 O ATOM 516 CB LYS A 32 -17.014 9.632 1.181 1.00 0.00 C ATOM 517 CG LYS A 32 -17.702 10.057 2.482 1.00 0.00 C ATOM 518 CD LYS A 32 -17.302 11.488 2.841 1.00 0.00 C ATOM 519 CE LYS A 32 -18.551 12.310 3.169 1.00 0.00 C ATOM 520 NZ LYS A 32 -18.193 13.409 4.110 1.00 0.00 N ATOM 0 H LYS A 32 -18.945 8.771 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 32 -17.913 11.327 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.036 8.546 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.965 9.929 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -18.784 9.990 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.423 9.379 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.625 11.482 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.763 11.944 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.976 12.724 2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.313 11.670 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.634 13.231 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.160 13.449 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.536 14.315 3.732 1.00 0.00 H new ATOM 534 N LYS A 33 -15.676 10.826 -1.242 1.00 0.00 N ATOM 535 CA LYS A 33 -14.718 10.752 -2.392 1.00 0.00 C ATOM 536 C LYS A 33 -13.355 11.327 -1.968 1.00 0.00 C ATOM 537 O LYS A 33 -13.150 11.677 -0.819 1.00 0.00 O ATOM 538 CB LYS A 33 -15.273 11.540 -3.591 1.00 0.00 C ATOM 539 CG LYS A 33 -15.615 12.971 -3.170 1.00 0.00 C ATOM 540 CD LYS A 33 -16.570 13.593 -4.192 1.00 0.00 C ATOM 541 CE LYS A 33 -18.017 13.323 -3.772 1.00 0.00 C ATOM 542 NZ LYS A 33 -18.946 14.028 -4.700 1.00 0.00 N ATOM 0 H LYS A 33 -15.379 11.431 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.591 9.710 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.539 11.556 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.163 11.045 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.075 12.970 -2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.705 13.567 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.395 14.667 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.383 13.175 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.217 12.252 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.179 13.664 -2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.929 13.844 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.761 15.051 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.797 13.682 -5.669 1.00 0.00 H new ATOM 556 N LYS A 34 -12.419 11.415 -2.887 1.00 0.00 N ATOM 557 CA LYS A 34 -11.063 11.949 -2.549 1.00 0.00 C ATOM 558 C LYS A 34 -11.159 13.407 -2.098 1.00 0.00 C ATOM 559 O LYS A 34 -11.767 14.239 -2.749 1.00 0.00 O ATOM 560 CB LYS A 34 -10.149 11.849 -3.775 1.00 0.00 C ATOM 561 CG LYS A 34 -8.716 11.542 -3.325 1.00 0.00 C ATOM 562 CD LYS A 34 -7.920 12.845 -3.214 1.00 0.00 C ATOM 563 CE LYS A 34 -6.897 12.726 -2.081 1.00 0.00 C ATOM 564 NZ LYS A 34 -5.822 13.743 -2.268 1.00 0.00 N ATOM 0 H LYS A 34 -12.540 11.138 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.647 11.357 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.506 11.066 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.172 12.783 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.729 11.029 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.236 10.871 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.412 13.054 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.594 13.680 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.387 12.873 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.466 11.725 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.128 13.661 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.348 13.583 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.240 14.695 -2.257 1.00 0.00 H new ATOM 578 N ASN A 35 -10.545 13.703 -0.977 1.00 0.00 N ATOM 579 CA ASN A 35 -10.548 15.090 -0.419 1.00 0.00 C ATOM 580 C ASN A 35 -11.969 15.515 -0.006 1.00 0.00 C ATOM 581 O ASN A 35 -12.240 16.688 0.185 1.00 0.00 O ATOM 582 CB ASN A 35 -9.996 16.063 -1.466 1.00 0.00 C ATOM 583 CG ASN A 35 -8.772 16.788 -0.899 1.00 0.00 C ATOM 584 OD1 ASN A 35 -8.778 17.996 -0.763 1.00 0.00 O ATOM 585 ND2 ASN A 35 -7.716 16.100 -0.557 1.00 0.00 N ATOM 0 H ASN A 35 -10.031 13.025 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.916 15.109 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.723 15.522 -2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.762 16.786 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.898 16.576 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.709 15.086 -0.670 1.00 0.00 H new ATOM 592 N ASP A 36 -12.871 14.573 0.146 1.00 0.00 N ATOM 593 CA ASP A 36 -14.269 14.917 0.557 1.00 0.00 C ATOM 594 C ASP A 36 -14.402 14.884 2.089 1.00 0.00 C ATOM 595 O ASP A 36 -15.472 15.123 2.619 1.00 0.00 O ATOM 596 CB ASP A 36 -15.234 13.900 -0.055 1.00 0.00 C ATOM 597 CG ASP A 36 -16.588 14.563 -0.329 1.00 0.00 C ATOM 598 OD1 ASP A 36 -16.675 15.326 -1.279 1.00 0.00 O ATOM 599 OD2 ASP A 36 -17.519 14.295 0.414 1.00 0.00 O ATOM 0 H ASP A 36 -12.698 13.578 0.002 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.506 15.921 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.819 13.504 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.363 13.056 0.622 1.00 0.00 H new ATOM 604 N ILE A 37 -13.326 14.588 2.797 1.00 0.00 N ATOM 605 CA ILE A 37 -13.364 14.529 4.292 1.00 0.00 C ATOM 606 C ILE A 37 -14.184 13.315 4.736 1.00 0.00 C ATOM 607 O ILE A 37 -15.213 13.002 4.168 1.00 0.00 O ATOM 608 CB ILE A 37 -13.980 15.810 4.857 1.00 0.00 C ATOM 609 CG1 ILE A 37 -13.319 17.029 4.190 1.00 0.00 C ATOM 610 CG2 ILE A 37 -13.760 15.855 6.373 1.00 0.00 C ATOM 611 CD1 ILE A 37 -13.643 18.303 4.974 1.00 0.00 C ATOM 0 H ILE A 37 -12.414 14.383 2.389 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.346 14.436 4.670 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.051 15.827 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.239 16.886 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.671 17.126 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.198 16.767 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -14.234 14.989 6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.691 15.841 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.169 19.158 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.723 18.452 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.268 18.208 5.993 1.00 0.00 H new ATOM 623 N VAL A 38 -13.727 12.629 5.751 1.00 0.00 N ATOM 624 CA VAL A 38 -14.460 11.428 6.244 1.00 0.00 C ATOM 625 C VAL A 38 -15.723 11.854 6.995 1.00 0.00 C ATOM 626 O VAL A 38 -15.692 12.728 7.845 1.00 0.00 O ATOM 627 CB VAL A 38 -13.559 10.604 7.177 1.00 0.00 C ATOM 628 CG1 VAL A 38 -13.200 11.418 8.421 1.00 0.00 C ATOM 629 CG2 VAL A 38 -14.304 9.340 7.612 1.00 0.00 C ATOM 0 H VAL A 38 -12.873 12.851 6.262 1.00 0.00 H new ATOM 0 HA VAL A 38 -14.742 10.816 5.387 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.646 10.340 6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.561 10.823 9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.671 12.323 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.111 11.689 8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.668 8.753 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.217 9.619 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.559 8.747 6.733 1.00 0.00 H new ATOM 639 N ASP A 39 -16.827 11.223 6.692 1.00 0.00 N ATOM 640 CA ASP A 39 -18.103 11.551 7.387 1.00 0.00 C ATOM 641 C ASP A 39 -17.987 11.089 8.846 1.00 0.00 C ATOM 642 O ASP A 39 -17.615 9.958 9.099 1.00 0.00 O ATOM 643 CB ASP A 39 -19.263 10.821 6.698 1.00 0.00 C ATOM 644 CG ASP A 39 -20.599 11.370 7.208 1.00 0.00 C ATOM 645 OD1 ASP A 39 -21.034 12.389 6.695 1.00 0.00 O ATOM 646 OD2 ASP A 39 -21.166 10.760 8.099 1.00 0.00 O ATOM 0 H ASP A 39 -16.898 10.489 5.987 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.292 12.624 7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -19.195 10.950 5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -19.200 9.751 6.896 1.00 0.00 H new ATOM 651 N PRO A 40 -18.296 11.978 9.762 1.00 0.00 N ATOM 652 CA PRO A 40 -18.215 11.687 11.208 1.00 0.00 C ATOM 653 C PRO A 40 -19.325 10.720 11.630 1.00 0.00 C ATOM 654 O PRO A 40 -19.100 9.832 12.434 1.00 0.00 O ATOM 655 CB PRO A 40 -18.370 13.058 11.868 1.00 0.00 C ATOM 656 CG PRO A 40 -19.068 13.963 10.827 1.00 0.00 C ATOM 657 CD PRO A 40 -18.773 13.342 9.448 1.00 0.00 C ATOM 0 HA PRO A 40 -17.284 11.199 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.962 12.986 12.780 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.399 13.466 12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -20.141 14.011 11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.690 14.984 10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -19.665 13.318 8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.019 13.913 8.906 1.00 0.00 H new ATOM 665 N SER A 41 -20.508 10.864 11.076 1.00 0.00 N ATOM 666 CA SER A 41 -21.618 9.926 11.424 1.00 0.00 C ATOM 667 C SER A 41 -21.220 8.513 10.976 1.00 0.00 C ATOM 668 O SER A 41 -21.640 7.526 11.554 1.00 0.00 O ATOM 669 CB SER A 41 -22.902 10.354 10.707 1.00 0.00 C ATOM 670 OG SER A 41 -24.027 9.970 11.488 1.00 0.00 O ATOM 0 H SER A 41 -20.749 11.589 10.400 1.00 0.00 H new ATOM 0 HA SER A 41 -21.795 9.941 12.499 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.903 11.433 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 41 -22.954 9.891 9.722 1.00 0.00 H new ATOM 0 HG SER A 41 -24.850 10.244 11.033 1.00 0.00 H new ATOM 676 N LYS A 42 -20.398 8.420 9.951 1.00 0.00 N ATOM 677 CA LYS A 42 -19.939 7.094 9.447 1.00 0.00 C ATOM 678 C LYS A 42 -18.690 6.640 10.223 1.00 0.00 C ATOM 679 O LYS A 42 -18.401 5.460 10.284 1.00 0.00 O ATOM 680 CB LYS A 42 -19.600 7.204 7.957 1.00 0.00 C ATOM 681 CG LYS A 42 -20.866 7.544 7.163 1.00 0.00 C ATOM 682 CD LYS A 42 -21.310 6.322 6.355 1.00 0.00 C ATOM 683 CE LYS A 42 -22.464 6.710 5.427 1.00 0.00 C ATOM 684 NZ LYS A 42 -21.926 7.392 4.213 1.00 0.00 N ATOM 0 H LYS A 42 -20.025 9.221 9.441 1.00 0.00 H new ATOM 0 HA LYS A 42 -20.735 6.363 9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.844 7.974 7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -19.176 6.265 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -21.661 7.852 7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.674 8.384 6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.474 5.937 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -21.624 5.524 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -23.025 5.822 5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -23.157 7.369 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -22.711 7.639 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.423 8.258 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.268 6.755 3.720 1.00 0.00 H new ATOM 698 N ILE A 43 -17.951 7.565 10.811 1.00 0.00 N ATOM 699 CA ILE A 43 -16.719 7.187 11.583 1.00 0.00 C ATOM 700 C ILE A 43 -17.075 6.131 12.636 1.00 0.00 C ATOM 701 O ILE A 43 -17.744 6.410 13.617 1.00 0.00 O ATOM 702 CB ILE A 43 -16.130 8.428 12.274 1.00 0.00 C ATOM 703 CG1 ILE A 43 -15.392 9.286 11.241 1.00 0.00 C ATOM 704 CG2 ILE A 43 -15.145 7.995 13.368 1.00 0.00 C ATOM 705 CD1 ILE A 43 -14.993 10.624 11.867 1.00 0.00 C ATOM 0 H ILE A 43 -18.152 8.565 10.787 1.00 0.00 H new ATOM 0 HA ILE A 43 -15.979 6.778 10.895 1.00 0.00 H new ATOM 0 HB ILE A 43 -16.938 9.006 12.722 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.505 8.761 10.886 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -16.030 9.456 10.374 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -14.730 8.878 13.855 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -15.666 7.385 14.106 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -14.338 7.414 12.922 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -14.469 11.230 11.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.887 11.151 12.200 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.338 10.446 12.720 1.00 0.00 H new ATOM 717 N GLU A 44 -16.623 4.923 12.429 1.00 0.00 N ATOM 718 CA GLU A 44 -16.904 3.820 13.393 1.00 0.00 C ATOM 719 C GLU A 44 -15.595 3.367 14.052 1.00 0.00 C ATOM 720 O GLU A 44 -15.593 2.886 15.170 1.00 0.00 O ATOM 721 CB GLU A 44 -17.534 2.642 12.646 1.00 0.00 C ATOM 722 CG GLU A 44 -19.015 2.929 12.396 1.00 0.00 C ATOM 723 CD GLU A 44 -19.791 1.610 12.317 1.00 0.00 C ATOM 724 OE1 GLU A 44 -20.253 1.154 13.351 1.00 0.00 O ATOM 725 OE2 GLU A 44 -19.910 1.079 11.225 1.00 0.00 O ATOM 0 H GLU A 44 -16.063 4.650 11.621 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.591 4.175 14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -17.019 2.481 11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.423 1.727 13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.415 3.550 13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.135 3.489 11.469 1.00 0.00 H new ATOM 732 N LYS A 45 -14.484 3.516 13.363 1.00 0.00 N ATOM 733 CA LYS A 45 -13.169 3.095 13.935 1.00 0.00 C ATOM 734 C LYS A 45 -12.052 3.986 13.373 1.00 0.00 C ATOM 735 O LYS A 45 -11.769 3.967 12.188 1.00 0.00 O ATOM 736 CB LYS A 45 -12.897 1.633 13.563 1.00 0.00 C ATOM 737 CG LYS A 45 -13.150 0.735 14.777 1.00 0.00 C ATOM 738 CD LYS A 45 -13.690 -0.620 14.308 1.00 0.00 C ATOM 739 CE LYS A 45 -12.677 -1.722 14.636 1.00 0.00 C ATOM 740 NZ LYS A 45 -11.640 -1.787 13.565 1.00 0.00 N ATOM 0 H LYS A 45 -14.436 3.914 12.425 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.196 3.195 15.020 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.540 1.333 12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.868 1.520 13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.226 0.596 15.338 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.864 1.209 15.451 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.642 -0.831 14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.880 -0.595 13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.207 -1.522 15.599 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.185 -2.682 14.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.984 -2.569 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.100 -1.947 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.113 -0.891 13.537 1.00 0.00 H new ATOM 754 N THR A 46 -11.418 4.766 14.219 1.00 0.00 N ATOM 755 CA THR A 46 -10.319 5.663 13.748 1.00 0.00 C ATOM 756 C THR A 46 -8.961 5.046 14.109 1.00 0.00 C ATOM 757 O THR A 46 -8.642 4.860 15.270 1.00 0.00 O ATOM 758 CB THR A 46 -10.459 7.042 14.411 1.00 0.00 C ATOM 759 OG1 THR A 46 -11.737 7.591 14.107 1.00 0.00 O ATOM 760 CG2 THR A 46 -9.363 7.979 13.895 1.00 0.00 C ATOM 0 H THR A 46 -11.617 4.818 15.218 1.00 0.00 H new ATOM 0 HA THR A 46 -10.383 5.778 12.666 1.00 0.00 H new ATOM 0 HB THR A 46 -10.359 6.932 15.491 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.825 8.470 14.532 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.467 8.955 14.368 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.385 7.562 14.135 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.456 8.088 12.814 1.00 0.00 H new ATOM 768 N PHE A 47 -8.164 4.729 13.115 1.00 0.00 N ATOM 769 CA PHE A 47 -6.823 4.122 13.367 1.00 0.00 C ATOM 770 C PHE A 47 -5.728 5.049 12.836 1.00 0.00 C ATOM 771 O PHE A 47 -5.861 5.638 11.783 1.00 0.00 O ATOM 772 CB PHE A 47 -6.726 2.778 12.646 1.00 0.00 C ATOM 773 CG PHE A 47 -7.334 1.688 13.498 1.00 0.00 C ATOM 774 CD1 PHE A 47 -8.695 1.720 13.825 1.00 0.00 C ATOM 775 CD2 PHE A 47 -6.530 0.640 13.957 1.00 0.00 C ATOM 776 CE1 PHE A 47 -9.249 0.705 14.614 1.00 0.00 C ATOM 777 CE2 PHE A 47 -7.083 -0.373 14.744 1.00 0.00 C ATOM 778 CZ PHE A 47 -8.440 -0.342 15.072 1.00 0.00 C ATOM 0 H PHE A 47 -8.391 4.868 12.130 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.694 3.978 14.440 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.242 2.832 11.688 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.683 2.545 12.433 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.317 2.528 13.469 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.481 0.614 13.703 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.298 0.729 14.869 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.460 -1.181 15.099 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.866 -1.127 15.680 1.00 0.00 H new ATOM 788 N ILE A 48 -4.650 5.181 13.566 1.00 0.00 N ATOM 789 CA ILE A 48 -3.529 6.067 13.130 1.00 0.00 C ATOM 790 C ILE A 48 -2.212 5.282 13.152 1.00 0.00 C ATOM 791 O ILE A 48 -2.001 4.429 13.996 1.00 0.00 O ATOM 792 CB ILE A 48 -3.423 7.266 14.080 1.00 0.00 C ATOM 793 CG1 ILE A 48 -4.806 7.560 14.685 1.00 0.00 C ATOM 794 CG2 ILE A 48 -2.916 8.487 13.305 1.00 0.00 C ATOM 795 CD1 ILE A 48 -4.851 8.982 15.239 1.00 0.00 C ATOM 0 H ILE A 48 -4.497 4.707 14.456 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.723 6.420 12.117 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.723 7.040 14.884 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.577 7.434 13.925 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.022 6.846 15.480 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.840 9.340 13.979 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.935 8.269 12.884 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.612 8.722 12.500 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.836 9.176 15.664 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.093 9.095 16.014 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.657 9.692 14.435 1.00 0.00 H new ATOM 807 N ARG A 49 -1.329 5.570 12.226 1.00 0.00 N ATOM 808 CA ARG A 49 -0.019 4.855 12.166 1.00 0.00 C ATOM 809 C ARG A 49 0.773 5.098 13.457 1.00 0.00 C ATOM 810 O ARG A 49 0.862 6.212 13.947 1.00 0.00 O ATOM 811 CB ARG A 49 0.792 5.359 10.962 1.00 0.00 C ATOM 812 CG ARG A 49 0.990 6.878 11.055 1.00 0.00 C ATOM 813 CD ARG A 49 0.513 7.542 9.761 1.00 0.00 C ATOM 814 NE ARG A 49 1.610 7.510 8.752 1.00 0.00 N ATOM 815 CZ ARG A 49 1.435 6.894 7.614 1.00 0.00 C ATOM 816 NH1 ARG A 49 1.566 5.595 7.548 1.00 0.00 N ATOM 817 NH2 ARG A 49 1.133 7.578 6.540 1.00 0.00 N ATOM 0 H ARG A 49 -1.463 6.277 11.503 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.204 3.786 12.057 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.761 4.860 10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.275 5.108 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.435 7.275 11.905 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.042 7.107 11.226 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.365 7.023 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.215 8.572 9.957 1.00 0.00 H new ATOM 0 HE ARG A 49 2.498 7.970 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.805 5.063 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.429 5.113 6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.034 8.592 6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.996 7.097 5.651 1.00 0.00 H new ATOM 928 N MET B 1 -0.055 -11.300 17.020 1.00 0.00 N ATOM 929 CA MET B 1 -0.572 -10.698 15.754 1.00 0.00 C ATOM 930 C MET B 1 -1.423 -11.727 15.002 1.00 0.00 C ATOM 931 O MET B 1 -0.953 -12.791 14.647 1.00 0.00 O ATOM 932 CB MET B 1 0.604 -10.272 14.864 1.00 0.00 C ATOM 933 CG MET B 1 1.051 -8.857 15.238 1.00 0.00 C ATOM 934 SD MET B 1 2.753 -8.591 14.674 1.00 0.00 S ATOM 935 CE MET B 1 2.361 -8.022 13.000 1.00 0.00 C ATOM 0 H1 MET B 1 0.522 -10.599 17.527 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.855 -11.589 17.619 1.00 0.00 H new ATOM 0 H3 MET B 1 0.528 -12.131 16.796 1.00 0.00 H new ATOM 0 HA MET B 1 -1.180 -9.827 15.998 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.434 -10.969 14.984 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.309 -10.305 13.815 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.387 -8.122 14.783 1.00 0.00 H new ATOM 0 HG3 MET B 1 0.988 -8.718 16.317 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.443 -8.856 12.303 1.00 0.00 H new ATOM 0 HE2 MET B 1 1.344 -7.630 12.978 1.00 0.00 H new ATOM 0 HE3 MET B 1 3.059 -7.237 12.710 1.00 0.00 H new ATOM 947 N LYS B 2 -2.670 -11.411 14.755 1.00 0.00 N ATOM 948 CA LYS B 2 -3.565 -12.345 14.019 1.00 0.00 C ATOM 949 C LYS B 2 -4.606 -11.540 13.238 1.00 0.00 C ATOM 950 O LYS B 2 -4.997 -10.458 13.637 1.00 0.00 O ATOM 951 CB LYS B 2 -4.272 -13.278 14.998 1.00 0.00 C ATOM 952 CG LYS B 2 -4.822 -12.487 16.186 1.00 0.00 C ATOM 953 CD LYS B 2 -4.130 -12.942 17.476 1.00 0.00 C ATOM 954 CE LYS B 2 -4.526 -14.388 17.793 1.00 0.00 C ATOM 955 NZ LYS B 2 -5.814 -14.402 18.546 1.00 0.00 N ATOM 0 H LYS B 2 -3.108 -10.534 15.037 1.00 0.00 H new ATOM 0 HA LYS B 2 -2.968 -12.942 13.330 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -5.085 -13.798 14.492 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -3.577 -14.040 15.351 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -4.659 -11.420 16.032 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -5.899 -12.637 16.267 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -3.048 -12.867 17.366 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -4.412 -12.288 18.301 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -4.627 -14.959 16.870 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -3.744 -14.869 18.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -6.080 -15.384 18.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -5.703 -13.872 19.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -6.558 -13.959 17.970 1.00 0.00 H new ATOM 969 N ILE B 3 -5.050 -12.065 12.129 1.00 0.00 N ATOM 970 CA ILE B 3 -6.061 -11.345 11.295 1.00 0.00 C ATOM 971 C ILE B 3 -7.461 -11.557 11.876 1.00 0.00 C ATOM 972 O ILE B 3 -8.036 -12.626 11.772 1.00 0.00 O ATOM 973 CB ILE B 3 -6.007 -11.867 9.851 1.00 0.00 C ATOM 974 CG1 ILE B 3 -4.641 -11.534 9.240 1.00 0.00 C ATOM 975 CG2 ILE B 3 -7.108 -11.202 9.017 1.00 0.00 C ATOM 976 CD1 ILE B 3 -3.952 -12.824 8.794 1.00 0.00 C ATOM 0 H ILE B 3 -4.755 -12.969 11.760 1.00 0.00 H new ATOM 0 HA ILE B 3 -5.835 -10.279 11.298 1.00 0.00 H new ATOM 0 HB ILE B 3 -6.157 -12.947 9.854 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -4.765 -10.863 8.390 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -4.022 -11.012 9.970 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -7.065 -11.576 7.994 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -8.082 -11.435 9.448 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -6.961 -10.122 9.015 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -2.981 -12.586 8.360 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -3.814 -13.479 9.654 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -4.569 -13.327 8.050 1.00 0.00 H new ATOM 988 N LYS B 4 -8.009 -10.533 12.481 1.00 0.00 N ATOM 989 CA LYS B 4 -9.374 -10.635 13.068 1.00 0.00 C ATOM 990 C LYS B 4 -10.412 -10.269 11.999 1.00 0.00 C ATOM 991 O LYS B 4 -11.489 -10.835 11.954 1.00 0.00 O ATOM 992 CB LYS B 4 -9.491 -9.671 14.252 1.00 0.00 C ATOM 993 CG LYS B 4 -10.495 -10.221 15.270 1.00 0.00 C ATOM 994 CD LYS B 4 -11.882 -9.633 14.995 1.00 0.00 C ATOM 995 CE LYS B 4 -12.904 -10.765 14.853 1.00 0.00 C ATOM 996 NZ LYS B 4 -13.880 -10.426 13.777 1.00 0.00 N ATOM 0 H LYS B 4 -7.562 -9.623 12.593 1.00 0.00 H new ATOM 0 HA LYS B 4 -9.552 -11.653 13.413 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.517 -9.539 14.723 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -9.813 -8.690 13.904 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -10.532 -11.309 15.208 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.177 -9.970 16.282 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.173 -8.967 15.808 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.860 -9.034 14.085 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -12.396 -11.700 14.616 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -13.427 -10.917 15.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -14.666 -11.107 13.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -14.249 -9.466 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.406 -10.468 12.852 1.00 0.00 H new ATOM 1010 N ARG B 5 -10.088 -9.329 11.137 1.00 0.00 N ATOM 1011 CA ARG B 5 -11.043 -8.918 10.065 1.00 0.00 C ATOM 1012 C ARG B 5 -10.285 -8.654 8.757 1.00 0.00 C ATOM 1013 O ARG B 5 -9.068 -8.597 8.727 1.00 0.00 O ATOM 1014 CB ARG B 5 -11.764 -7.634 10.483 1.00 0.00 C ATOM 1015 CG ARG B 5 -12.860 -7.951 11.502 1.00 0.00 C ATOM 1016 CD ARG B 5 -13.560 -6.653 11.922 1.00 0.00 C ATOM 1017 NE ARG B 5 -12.583 -5.748 12.597 1.00 0.00 N ATOM 1018 CZ ARG B 5 -12.213 -5.982 13.828 1.00 0.00 C ATOM 1019 NH1 ARG B 5 -12.941 -5.547 14.823 1.00 0.00 N ATOM 1020 NH2 ARG B 5 -11.114 -6.650 14.062 1.00 0.00 N ATOM 0 H ARG B 5 -9.198 -8.830 11.134 1.00 0.00 H new ATOM 0 HA ARG B 5 -11.765 -9.720 9.914 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.050 -6.931 10.913 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.199 -7.152 9.608 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.583 -8.643 11.071 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.429 -8.443 12.374 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -13.984 -6.158 11.048 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.388 -6.877 12.595 1.00 0.00 H new ATOM 0 HE ARG B 5 -12.203 -4.945 12.096 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -13.798 -5.025 14.638 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -12.652 -5.730 15.784 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -10.547 -6.988 13.284 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -10.823 -6.834 15.022 1.00 0.00 H new ATOM 1034 N ILE B 6 -11.012 -8.482 7.680 1.00 0.00 N ATOM 1035 CA ILE B 6 -10.375 -8.204 6.358 1.00 0.00 C ATOM 1036 C ILE B 6 -11.025 -6.963 5.744 1.00 0.00 C ATOM 1037 O ILE B 6 -12.231 -6.896 5.576 1.00 0.00 O ATOM 1038 CB ILE B 6 -10.567 -9.403 5.420 1.00 0.00 C ATOM 1039 CG1 ILE B 6 -10.033 -10.676 6.089 1.00 0.00 C ATOM 1040 CG2 ILE B 6 -9.802 -9.161 4.115 1.00 0.00 C ATOM 1041 CD1 ILE B 6 -11.200 -11.497 6.643 1.00 0.00 C ATOM 0 H ILE B 6 -12.031 -8.523 7.662 1.00 0.00 H new ATOM 0 HA ILE B 6 -9.308 -8.033 6.497 1.00 0.00 H new ATOM 0 HB ILE B 6 -11.629 -9.523 5.206 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -9.469 -11.268 5.368 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -9.346 -10.415 6.894 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -9.939 -10.013 3.449 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -10.181 -8.260 3.633 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -8.741 -9.038 4.333 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -10.817 -12.400 7.117 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -11.745 -10.905 7.378 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -11.871 -11.771 5.829 1.00 0.00 H new ATOM 1053 N LEU B 7 -10.227 -5.983 5.409 1.00 0.00 N ATOM 1054 CA LEU B 7 -10.761 -4.733 4.803 1.00 0.00 C ATOM 1055 C LEU B 7 -10.787 -4.894 3.283 1.00 0.00 C ATOM 1056 O LEU B 7 -11.779 -4.614 2.636 1.00 0.00 O ATOM 1057 CB LEU B 7 -9.857 -3.568 5.198 1.00 0.00 C ATOM 1058 CG LEU B 7 -9.881 -3.414 6.719 1.00 0.00 C ATOM 1059 CD1 LEU B 7 -8.562 -2.806 7.201 1.00 0.00 C ATOM 1060 CD2 LEU B 7 -11.040 -2.504 7.126 1.00 0.00 C ATOM 0 H LEU B 7 -9.215 -5.999 5.532 1.00 0.00 H new ATOM 0 HA LEU B 7 -11.772 -4.536 5.159 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -8.839 -3.748 4.854 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -10.197 -2.649 4.721 1.00 0.00 H new ATOM 0 HG LEU B 7 -10.013 -4.396 7.174 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -8.586 -2.699 8.285 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.736 -3.459 6.919 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -8.424 -1.827 6.743 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -11.054 -2.396 8.211 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -10.912 -1.524 6.666 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -11.981 -2.942 6.792 1.00 0.00 H new ATOM 1072 N ASN B 8 -9.706 -5.378 2.722 1.00 0.00 N ATOM 1073 CA ASN B 8 -9.643 -5.607 1.246 1.00 0.00 C ATOM 1074 C ASN B 8 -8.397 -6.450 0.909 1.00 0.00 C ATOM 1075 O ASN B 8 -7.787 -7.041 1.783 1.00 0.00 O ATOM 1076 CB ASN B 8 -9.650 -4.263 0.483 1.00 0.00 C ATOM 1077 CG ASN B 8 -8.300 -3.549 0.587 1.00 0.00 C ATOM 1078 OD1 ASN B 8 -7.348 -3.924 -0.061 1.00 0.00 O ATOM 1079 ND2 ASN B 8 -8.185 -2.505 1.354 1.00 0.00 N ATOM 0 H ASN B 8 -8.857 -5.626 3.229 1.00 0.00 H new ATOM 0 HA ASN B 8 -10.527 -6.159 0.927 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -9.889 -4.441 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -10.434 -3.620 0.884 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -7.297 -2.007 1.407 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -8.983 -2.184 1.902 1.00 0.00 H new ATOM 1086 N HIS B 9 -8.038 -6.530 -0.350 1.00 0.00 N ATOM 1087 CA HIS B 9 -6.854 -7.356 -0.770 1.00 0.00 C ATOM 1088 C HIS B 9 -5.565 -6.920 -0.044 1.00 0.00 C ATOM 1089 O HIS B 9 -4.643 -7.704 0.101 1.00 0.00 O ATOM 1090 CB HIS B 9 -6.655 -7.202 -2.282 1.00 0.00 C ATOM 1091 CG HIS B 9 -5.818 -8.339 -2.804 1.00 0.00 C ATOM 1092 ND1 HIS B 9 -4.505 -8.404 -3.199 1.00 0.00 N flip ATOM 1093 CD2 HIS B 9 -6.330 -9.615 -2.978 1.00 0.00 C flip ATOM 1094 CE1 HIS B 9 -4.204 -9.698 -3.613 1.00 0.00 C flip ATOM 1095 NE2 HIS B 9 -5.339 -10.387 -3.458 1.00 0.00 N flip ATOM 0 H HIS B 9 -8.518 -6.055 -1.114 1.00 0.00 H new ATOM 0 HA HIS B 9 -7.052 -8.395 -0.507 1.00 0.00 H new ATOM 0 HB2 HIS B 9 -7.621 -7.189 -2.786 1.00 0.00 H new ATOM 0 HB3 HIS B 9 -6.169 -6.251 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS B 9 -7.341 -9.932 -2.767 1.00 0.00 H new ATOM 0 HE1 HIS B 9 -3.257 -10.066 -3.980 1.00 0.00 H new ATOM 0 HE2 HIS B 9 -5.441 -11.378 -3.677 1.00 0.00 H new ATOM 1103 N ASN B 10 -5.478 -5.681 0.379 1.00 0.00 N ATOM 1104 CA ASN B 10 -4.241 -5.192 1.055 1.00 0.00 C ATOM 1105 C ASN B 10 -4.517 -4.761 2.498 1.00 0.00 C ATOM 1106 O ASN B 10 -3.638 -4.813 3.337 1.00 0.00 O ATOM 1107 CB ASN B 10 -3.691 -3.989 0.283 1.00 0.00 C ATOM 1108 CG ASN B 10 -3.966 -4.146 -1.219 1.00 0.00 C ATOM 1109 OD1 ASN B 10 -3.420 -5.021 -1.862 1.00 0.00 O ATOM 1110 ND2 ASN B 10 -4.798 -3.331 -1.807 1.00 0.00 N ATOM 0 H ASN B 10 -6.218 -4.985 0.283 1.00 0.00 H new ATOM 0 HA ASN B 10 -3.521 -6.010 1.071 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.152 -3.072 0.650 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.619 -3.898 0.455 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -4.989 -3.429 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -5.257 -2.596 -1.270 1.00 0.00 H new ATOM 1117 N ALA B 11 -5.709 -4.308 2.796 1.00 0.00 N ATOM 1118 CA ALA B 11 -6.004 -3.843 4.179 1.00 0.00 C ATOM 1119 C ALA B 11 -6.696 -4.941 4.991 1.00 0.00 C ATOM 1120 O ALA B 11 -7.549 -5.656 4.495 1.00 0.00 O ATOM 1121 CB ALA B 11 -6.903 -2.608 4.117 1.00 0.00 C ATOM 0 H ALA B 11 -6.487 -4.241 2.140 1.00 0.00 H new ATOM 0 HA ALA B 11 -5.063 -3.595 4.670 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -7.121 -2.265 5.129 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.395 -1.816 3.567 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -7.835 -2.861 3.611 1.00 0.00 H new ATOM 1127 N ILE B 12 -6.329 -5.061 6.243 1.00 0.00 N ATOM 1128 CA ILE B 12 -6.942 -6.087 7.136 1.00 0.00 C ATOM 1129 C ILE B 12 -6.874 -5.599 8.590 1.00 0.00 C ATOM 1130 O ILE B 12 -5.988 -4.850 8.958 1.00 0.00 O ATOM 1131 CB ILE B 12 -6.177 -7.410 7.014 1.00 0.00 C ATOM 1132 CG1 ILE B 12 -4.667 -7.133 6.992 1.00 0.00 C ATOM 1133 CG2 ILE B 12 -6.584 -8.131 5.727 1.00 0.00 C ATOM 1134 CD1 ILE B 12 -3.914 -8.345 7.542 1.00 0.00 C ATOM 0 H ILE B 12 -5.619 -4.481 6.689 1.00 0.00 H new ATOM 0 HA ILE B 12 -7.980 -6.242 6.843 1.00 0.00 H new ATOM 0 HB ILE B 12 -6.418 -8.041 7.869 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -4.341 -6.921 5.974 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -4.440 -6.250 7.589 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -6.036 -9.070 5.647 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -7.654 -8.336 5.748 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -6.352 -7.501 4.868 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -2.842 -8.146 7.525 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -4.232 -8.536 8.567 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -4.130 -9.218 6.926 1.00 0.00 H new ATOM 1146 N VAL B 13 -7.795 -6.029 9.419 1.00 0.00 N ATOM 1147 CA VAL B 13 -7.778 -5.604 10.850 1.00 0.00 C ATOM 1148 C VAL B 13 -7.193 -6.739 11.693 1.00 0.00 C ATOM 1149 O VAL B 13 -7.718 -7.837 11.716 1.00 0.00 O ATOM 1150 CB VAL B 13 -9.202 -5.291 11.329 1.00 0.00 C ATOM 1151 CG1 VAL B 13 -9.136 -4.507 12.641 1.00 0.00 C ATOM 1152 CG2 VAL B 13 -9.939 -4.455 10.275 1.00 0.00 C ATOM 0 H VAL B 13 -8.558 -6.657 9.164 1.00 0.00 H new ATOM 0 HA VAL B 13 -7.170 -4.706 10.954 1.00 0.00 H new ATOM 0 HB VAL B 13 -9.740 -6.226 11.484 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.147 -4.284 12.983 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -8.621 -5.102 13.395 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -8.593 -3.575 12.481 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -10.949 -4.238 10.624 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.403 -3.520 10.112 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -9.990 -5.012 9.339 1.00 0.00 H new ATOM 1162 N VAL B 14 -6.105 -6.483 12.376 1.00 0.00 N ATOM 1163 CA VAL B 14 -5.472 -7.544 13.216 1.00 0.00 C ATOM 1164 C VAL B 14 -5.359 -7.054 14.667 1.00 0.00 C ATOM 1165 O VAL B 14 -5.083 -5.899 14.923 1.00 0.00 O ATOM 1166 CB VAL B 14 -4.077 -7.919 12.649 1.00 0.00 C ATOM 1167 CG1 VAL B 14 -3.605 -6.877 11.629 1.00 0.00 C ATOM 1168 CG2 VAL B 14 -3.037 -8.013 13.776 1.00 0.00 C ATOM 0 H VAL B 14 -5.627 -5.582 12.387 1.00 0.00 H new ATOM 0 HA VAL B 14 -6.095 -8.438 13.196 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.174 -8.889 12.161 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -2.625 -7.161 11.245 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -4.317 -6.826 10.805 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -3.537 -5.901 12.110 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.067 -8.277 13.355 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -2.963 -7.051 14.284 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -3.343 -8.778 14.490 1.00 0.00 H new ATOM 1178 N LYS B 15 -5.565 -7.938 15.612 1.00 0.00 N ATOM 1179 CA LYS B 15 -5.466 -7.549 17.052 1.00 0.00 C ATOM 1180 C LYS B 15 -4.016 -7.692 17.524 1.00 0.00 C ATOM 1181 O LYS B 15 -3.261 -8.503 17.016 1.00 0.00 O ATOM 1182 CB LYS B 15 -6.381 -8.436 17.908 1.00 0.00 C ATOM 1183 CG LYS B 15 -5.986 -9.910 17.755 1.00 0.00 C ATOM 1184 CD LYS B 15 -7.010 -10.794 18.473 1.00 0.00 C ATOM 1185 CE LYS B 15 -8.003 -11.359 17.455 1.00 0.00 C ATOM 1186 NZ LYS B 15 -9.196 -11.901 18.167 1.00 0.00 N ATOM 0 H LYS B 15 -5.799 -8.917 15.446 1.00 0.00 H new ATOM 0 HA LYS B 15 -5.783 -6.512 17.161 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.311 -8.140 18.955 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -7.419 -8.297 17.607 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.938 -10.176 16.699 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -4.992 -10.076 18.171 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.503 -11.608 18.992 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.539 -10.214 19.229 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.307 -10.579 16.757 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -7.529 -12.145 16.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.870 -12.284 17.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -8.899 -12.657 18.816 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -9.653 -11.140 18.709 1.00 0.00 H new ATOM 1200 N ASP B 16 -3.629 -6.899 18.489 1.00 0.00 N ATOM 1201 CA ASP B 16 -2.229 -6.959 19.006 1.00 0.00 C ATOM 1202 C ASP B 16 -2.216 -6.790 20.532 1.00 0.00 C ATOM 1203 O ASP B 16 -3.252 -6.718 21.172 1.00 0.00 O ATOM 1204 CB ASP B 16 -1.410 -5.837 18.357 1.00 0.00 C ATOM 1205 CG ASP B 16 -0.529 -6.418 17.247 1.00 0.00 C ATOM 1206 OD1 ASP B 16 -1.066 -6.754 16.204 1.00 0.00 O ATOM 1207 OD2 ASP B 16 0.670 -6.515 17.458 1.00 0.00 O ATOM 0 H ASP B 16 -4.226 -6.208 18.944 1.00 0.00 H new ATOM 0 HA ASP B 16 -1.795 -7.928 18.759 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -2.076 -5.078 17.946 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -0.790 -5.345 19.107 1.00 0.00 H new ATOM 1212 N GLN B 17 -1.037 -6.729 21.111 1.00 0.00 N ATOM 1213 CA GLN B 17 -0.907 -6.567 22.592 1.00 0.00 C ATOM 1214 C GLN B 17 -1.675 -5.334 23.054 1.00 0.00 C ATOM 1215 O GLN B 17 -2.412 -5.381 24.023 1.00 0.00 O ATOM 1216 CB GLN B 17 0.571 -6.406 22.959 1.00 0.00 C ATOM 1217 CG GLN B 17 1.079 -7.686 23.625 1.00 0.00 C ATOM 1218 CD GLN B 17 2.590 -7.583 23.850 1.00 0.00 C ATOM 1219 OE1 GLN B 17 3.033 -7.232 24.925 1.00 0.00 O ATOM 1220 NE2 GLN B 17 3.405 -7.876 22.872 1.00 0.00 N ATOM 0 H GLN B 17 -0.150 -6.786 20.611 1.00 0.00 H new ATOM 0 HA GLN B 17 -1.317 -7.450 23.082 1.00 0.00 H new ATOM 0 HB2 GLN B 17 1.157 -6.193 22.065 1.00 0.00 H new ATOM 0 HB3 GLN B 17 0.698 -5.559 23.633 1.00 0.00 H new ATOM 0 HG2 GLN B 17 0.569 -7.840 24.576 1.00 0.00 H new ATOM 0 HG3 GLN B 17 0.852 -8.549 22.998 1.00 0.00 H new ATOM 0 HE21 GLN B 17 3.033 -8.171 21.969 1.00 0.00 H new ATOM 0 HE22 GLN B 17 4.413 -7.810 23.011 1.00 0.00 H new ATOM 1229 N ASN B 18 -1.505 -4.234 22.368 1.00 0.00 N ATOM 1230 CA ASN B 18 -2.219 -2.986 22.758 1.00 0.00 C ATOM 1231 C ASN B 18 -3.733 -3.215 22.671 1.00 0.00 C ATOM 1232 O ASN B 18 -4.450 -3.004 23.632 1.00 0.00 O ATOM 1233 CB ASN B 18 -1.815 -1.843 21.823 1.00 0.00 C ATOM 1234 CG ASN B 18 -0.441 -1.303 22.233 1.00 0.00 C ATOM 1235 OD1 ASN B 18 -0.344 -0.430 23.072 1.00 0.00 O ATOM 1236 ND2 ASN B 18 0.633 -1.789 21.672 1.00 0.00 N ATOM 0 H ASN B 18 -0.900 -4.148 21.552 1.00 0.00 H new ATOM 0 HA ASN B 18 -1.950 -2.721 23.781 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -1.785 -2.196 20.792 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -2.557 -1.046 21.865 1.00 0.00 H new ATOM 0 HD21 ASN B 18 1.552 -1.436 21.938 1.00 0.00 H new ATOM 0 HD22 ASN B 18 0.553 -2.522 20.967 1.00 0.00 H new ATOM 1243 N GLU B 19 -4.216 -3.659 21.529 1.00 0.00 N ATOM 1244 CA GLU B 19 -5.682 -3.919 21.367 1.00 0.00 C ATOM 1245 C GLU B 19 -5.971 -4.350 19.929 1.00 0.00 C ATOM 1246 O GLU B 19 -6.214 -5.512 19.659 1.00 0.00 O ATOM 1247 CB GLU B 19 -6.488 -2.651 21.701 1.00 0.00 C ATOM 1248 CG GLU B 19 -7.781 -3.045 22.426 1.00 0.00 C ATOM 1249 CD GLU B 19 -8.962 -2.989 21.450 1.00 0.00 C ATOM 1250 OE1 GLU B 19 -9.066 -3.878 20.619 1.00 0.00 O ATOM 1251 OE2 GLU B 19 -9.745 -2.057 21.551 1.00 0.00 O ATOM 0 H GLU B 19 -3.653 -3.852 20.701 1.00 0.00 H new ATOM 0 HA GLU B 19 -5.978 -4.714 22.051 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.895 -1.985 22.328 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.722 -2.105 20.787 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.686 -4.049 22.839 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.958 -2.372 23.265 1.00 0.00 H new ATOM 1258 N GLU B 20 -5.958 -3.417 19.013 1.00 0.00 N ATOM 1259 CA GLU B 20 -6.243 -3.742 17.590 1.00 0.00 C ATOM 1260 C GLU B 20 -5.469 -2.800 16.663 1.00 0.00 C ATOM 1261 O GLU B 20 -5.249 -1.644 16.975 1.00 0.00 O ATOM 1262 CB GLU B 20 -7.738 -3.573 17.346 1.00 0.00 C ATOM 1263 CG GLU B 20 -8.183 -4.486 16.201 1.00 0.00 C ATOM 1264 CD GLU B 20 -9.713 -4.540 16.154 1.00 0.00 C ATOM 1265 OE1 GLU B 20 -10.297 -3.691 15.499 1.00 0.00 O ATOM 1266 OE2 GLU B 20 -10.275 -5.429 16.774 1.00 0.00 O ATOM 0 H GLU B 20 -5.759 -2.433 19.196 1.00 0.00 H new ATOM 0 HA GLU B 20 -5.935 -4.767 17.382 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -8.293 -3.814 18.252 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -7.961 -2.534 17.103 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -7.793 -4.115 15.253 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -7.778 -5.488 16.342 1.00 0.00 H new ATOM 1273 N LYS B 21 -5.072 -3.295 15.516 1.00 0.00 N ATOM 1274 CA LYS B 21 -4.325 -2.454 14.534 1.00 0.00 C ATOM 1275 C LYS B 21 -4.624 -2.941 13.113 1.00 0.00 C ATOM 1276 O LYS B 21 -4.689 -4.128 12.853 1.00 0.00 O ATOM 1277 CB LYS B 21 -2.814 -2.534 14.789 1.00 0.00 C ATOM 1278 CG LYS B 21 -2.397 -3.977 15.091 1.00 0.00 C ATOM 1279 CD LYS B 21 -1.258 -4.387 14.152 1.00 0.00 C ATOM 1280 CE LYS B 21 0.088 -4.104 14.823 1.00 0.00 C ATOM 1281 NZ LYS B 21 1.126 -5.019 14.266 1.00 0.00 N ATOM 0 H LYS B 21 -5.236 -4.256 15.217 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.646 -1.419 14.649 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.272 -2.167 13.917 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -2.546 -1.889 15.626 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.076 -4.064 16.129 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.247 -4.647 14.963 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.338 -5.446 13.908 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.331 -3.837 13.214 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.377 -3.066 14.658 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.005 -4.244 15.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 2.040 -4.826 14.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.851 -6.006 14.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 1.211 -4.864 13.241 1.00 0.00 H new ATOM 1295 N ILE B 22 -4.800 -2.027 12.193 1.00 0.00 N ATOM 1296 CA ILE B 22 -5.088 -2.418 10.782 1.00 0.00 C ATOM 1297 C ILE B 22 -3.769 -2.499 10.007 1.00 0.00 C ATOM 1298 O ILE B 22 -2.964 -1.583 10.029 1.00 0.00 O ATOM 1299 CB ILE B 22 -6.032 -1.385 10.137 1.00 0.00 C ATOM 1300 CG1 ILE B 22 -7.485 -1.806 10.380 1.00 0.00 C ATOM 1301 CG2 ILE B 22 -5.786 -1.310 8.626 1.00 0.00 C ATOM 1302 CD1 ILE B 22 -7.876 -1.506 11.827 1.00 0.00 C ATOM 0 H ILE B 22 -4.756 -1.022 12.361 1.00 0.00 H new ATOM 0 HA ILE B 22 -5.577 -3.392 10.759 1.00 0.00 H new ATOM 0 HB ILE B 22 -5.841 -0.409 10.582 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -8.147 -1.273 9.697 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -7.604 -2.870 10.175 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -6.460 -0.576 8.184 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -4.754 -1.013 8.440 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -5.969 -2.287 8.179 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -8.910 -1.807 11.994 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -7.223 -2.059 12.502 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -7.774 -0.438 12.017 1.00 0.00 H new ATOM 1314 N LEU B 23 -3.547 -3.597 9.330 1.00 0.00 N ATOM 1315 CA LEU B 23 -2.286 -3.766 8.552 1.00 0.00 C ATOM 1316 C LEU B 23 -2.561 -3.537 7.060 1.00 0.00 C ATOM 1317 O LEU B 23 -3.261 -4.305 6.423 1.00 0.00 O ATOM 1318 CB LEU B 23 -1.741 -5.189 8.760 1.00 0.00 C ATOM 1319 CG LEU B 23 -0.201 -5.199 8.869 1.00 0.00 C ATOM 1320 CD1 LEU B 23 0.405 -3.863 8.420 1.00 0.00 C ATOM 1321 CD2 LEU B 23 0.200 -5.477 10.321 1.00 0.00 C ATOM 0 H LEU B 23 -4.190 -4.387 9.284 1.00 0.00 H new ATOM 0 HA LEU B 23 -1.551 -3.039 8.898 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -2.173 -5.616 9.665 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.051 -5.823 7.929 1.00 0.00 H new ATOM 0 HG LEU B 23 0.182 -5.980 8.212 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.490 -3.907 8.510 1.00 0.00 H new ATOM 0 HD12 LEU B 23 0.135 -3.672 7.381 1.00 0.00 H new ATOM 0 HD13 LEU B 23 0.021 -3.060 9.049 1.00 0.00 H new ATOM 0 HD21 LEU B 23 1.287 -5.485 10.403 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.207 -4.698 10.966 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.194 -6.446 10.628 1.00 0.00 H new ATOM 1333 N LEU B 24 -2.000 -2.490 6.502 1.00 0.00 N ATOM 1334 CA LEU B 24 -2.203 -2.203 5.052 1.00 0.00 C ATOM 1335 C LEU B 24 -0.984 -2.712 4.278 1.00 0.00 C ATOM 1336 O LEU B 24 0.070 -2.105 4.299 1.00 0.00 O ATOM 1337 CB LEU B 24 -2.357 -0.691 4.827 1.00 0.00 C ATOM 1338 CG LEU B 24 -3.422 -0.114 5.765 1.00 0.00 C ATOM 1339 CD1 LEU B 24 -3.565 1.389 5.506 1.00 0.00 C ATOM 1340 CD2 LEU B 24 -4.764 -0.803 5.507 1.00 0.00 C ATOM 0 H LEU B 24 -1.408 -1.821 6.994 1.00 0.00 H new ATOM 0 HA LEU B 24 -3.107 -2.702 4.704 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.403 -0.193 5.000 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.634 -0.498 3.791 1.00 0.00 H new ATOM 0 HG LEU B 24 -3.122 -0.282 6.799 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -4.322 1.803 6.172 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.611 1.882 5.691 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.864 1.553 4.471 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.519 -0.390 6.176 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -5.065 -0.637 4.473 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -4.664 -1.873 5.688 1.00 0.00 H new ATOM 1352 N GLY B 25 -1.122 -3.826 3.600 1.00 0.00 N ATOM 1353 CA GLY B 25 0.018 -4.390 2.822 1.00 0.00 C ATOM 1354 C GLY B 25 -0.492 -4.875 1.467 1.00 0.00 C ATOM 1355 O GLY B 25 -1.398 -5.678 1.396 1.00 0.00 O ATOM 0 H GLY B 25 -1.983 -4.370 3.554 1.00 0.00 H new ATOM 0 HA2 GLY B 25 0.790 -3.633 2.684 1.00 0.00 H new ATOM 0 HA3 GLY B 25 0.475 -5.215 3.369 1.00 0.00 H new ATOM 1359 N ALA B 26 0.079 -4.378 0.397 1.00 0.00 N ATOM 1360 CA ALA B 26 -0.364 -4.784 -0.972 1.00 0.00 C ATOM 1361 C ALA B 26 -0.333 -6.310 -1.117 1.00 0.00 C ATOM 1362 O ALA B 26 0.709 -6.913 -1.311 1.00 0.00 O ATOM 1363 CB ALA B 26 0.552 -4.153 -2.020 1.00 0.00 C ATOM 0 H ALA B 26 0.842 -3.701 0.415 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.386 -4.437 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.225 -4.452 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.509 -3.067 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.576 -4.489 -1.858 1.00 0.00 H new ATOM 1369 N GLY B 27 -1.483 -6.923 -1.029 1.00 0.00 N ATOM 1370 CA GLY B 27 -1.584 -8.406 -1.165 1.00 0.00 C ATOM 1371 C GLY B 27 -1.495 -9.096 0.204 1.00 0.00 C ATOM 1372 O GLY B 27 -1.377 -10.306 0.275 1.00 0.00 O ATOM 0 H GLY B 27 -2.372 -6.451 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -2.527 -8.666 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -0.785 -8.770 -1.811 1.00 0.00 H new ATOM 1376 N ILE B 28 -1.557 -8.350 1.287 1.00 0.00 N ATOM 1377 CA ILE B 28 -1.483 -8.965 2.637 1.00 0.00 C ATOM 1378 C ILE B 28 -2.675 -9.915 2.831 1.00 0.00 C ATOM 1379 O ILE B 28 -2.534 -10.982 3.400 1.00 0.00 O ATOM 1380 CB ILE B 28 -1.490 -7.839 3.681 1.00 0.00 C ATOM 1381 CG1 ILE B 28 -0.621 -8.244 4.860 1.00 0.00 C ATOM 1382 CG2 ILE B 28 -2.913 -7.550 4.171 1.00 0.00 C ATOM 1383 CD1 ILE B 28 0.058 -7.002 5.432 1.00 0.00 C ATOM 0 H ILE B 28 -1.656 -7.335 1.283 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.569 -9.548 2.750 1.00 0.00 H new ATOM 0 HB ILE B 28 -1.097 -6.934 3.217 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -1.228 -8.727 5.626 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.128 -8.969 4.543 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -2.888 -6.749 4.909 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -3.534 -7.247 3.328 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -3.331 -8.449 4.625 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.683 -7.286 6.279 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.677 -6.539 4.663 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -0.700 -6.293 5.763 1.00 0.00 H new ATOM 1395 N ALA B 29 -3.838 -9.542 2.337 1.00 0.00 N ATOM 1396 CA ALA B 29 -5.033 -10.430 2.463 1.00 0.00 C ATOM 1397 C ALA B 29 -4.752 -11.725 1.698 1.00 0.00 C ATOM 1398 O ALA B 29 -5.092 -12.806 2.147 1.00 0.00 O ATOM 1399 CB ALA B 29 -6.262 -9.735 1.873 1.00 0.00 C ATOM 0 H ALA B 29 -4.005 -8.660 1.853 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.228 -10.649 3.513 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.130 -10.388 1.968 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.447 -8.805 2.410 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.086 -9.517 0.820 1.00 0.00 H new ATOM 1405 N PHE B 30 -4.101 -11.620 0.558 1.00 0.00 N ATOM 1406 CA PHE B 30 -3.756 -12.834 -0.229 1.00 0.00 C ATOM 1407 C PHE B 30 -2.678 -13.610 0.533 1.00 0.00 C ATOM 1408 O PHE B 30 -1.827 -13.025 1.180 1.00 0.00 O ATOM 1409 CB PHE B 30 -3.219 -12.424 -1.605 1.00 0.00 C ATOM 1410 CG PHE B 30 -3.203 -13.624 -2.524 1.00 0.00 C ATOM 1411 CD1 PHE B 30 -4.374 -14.014 -3.186 1.00 0.00 C ATOM 1412 CD2 PHE B 30 -2.019 -14.347 -2.710 1.00 0.00 C ATOM 1413 CE1 PHE B 30 -4.359 -15.126 -4.036 1.00 0.00 C ATOM 1414 CE2 PHE B 30 -2.005 -15.460 -3.559 1.00 0.00 C ATOM 1415 CZ PHE B 30 -3.175 -15.849 -4.222 1.00 0.00 C ATOM 0 H PHE B 30 -3.797 -10.738 0.145 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.641 -13.455 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -3.842 -11.637 -2.030 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.213 -12.016 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -5.288 -13.457 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -1.116 -14.046 -2.199 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -5.261 -15.426 -4.548 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.092 -16.018 -3.702 1.00 0.00 H new ATOM 0 HZ PHE B 30 -3.164 -16.707 -4.877 1.00 0.00 H new ATOM 1425 N ASN B 31 -2.721 -14.917 0.472 1.00 0.00 N ATOM 1426 CA ASN B 31 -1.713 -15.749 1.203 1.00 0.00 C ATOM 1427 C ASN B 31 -1.912 -15.582 2.717 1.00 0.00 C ATOM 1428 O ASN B 31 -0.979 -15.684 3.494 1.00 0.00 O ATOM 1429 CB ASN B 31 -0.299 -15.304 0.805 1.00 0.00 C ATOM 1430 CG ASN B 31 0.698 -16.433 1.082 1.00 0.00 C ATOM 1431 OD1 ASN B 31 1.459 -16.369 2.027 1.00 0.00 O ATOM 1432 ND2 ASN B 31 0.727 -17.472 0.291 1.00 0.00 N ATOM 0 H ASN B 31 -3.414 -15.448 -0.055 1.00 0.00 H new ATOM 0 HA ASN B 31 -1.844 -16.799 0.941 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -0.276 -15.037 -0.252 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -0.017 -14.412 1.365 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.388 -18.229 0.467 1.00 0.00 H new ATOM 0 HD22 ASN B 31 0.089 -17.527 -0.503 1.00 0.00 H new ATOM 1439 N LYS B 32 -3.129 -15.328 3.134 1.00 0.00 N ATOM 1440 CA LYS B 32 -3.419 -15.147 4.589 1.00 0.00 C ATOM 1441 C LYS B 32 -4.902 -15.446 4.867 1.00 0.00 C ATOM 1442 O LYS B 32 -5.695 -15.610 3.956 1.00 0.00 O ATOM 1443 CB LYS B 32 -3.100 -13.701 4.990 1.00 0.00 C ATOM 1444 CG LYS B 32 -2.153 -13.694 6.192 1.00 0.00 C ATOM 1445 CD LYS B 32 -0.700 -13.612 5.714 1.00 0.00 C ATOM 1446 CE LYS B 32 0.056 -14.878 6.129 1.00 0.00 C ATOM 1447 NZ LYS B 32 0.948 -14.578 7.285 1.00 0.00 N ATOM 0 H LYS B 32 -3.940 -15.238 2.522 1.00 0.00 H new ATOM 0 HA LYS B 32 -2.804 -15.833 5.171 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.643 -13.174 4.152 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -4.020 -13.171 5.237 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.380 -12.847 6.839 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.299 -14.597 6.786 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -0.670 -13.499 4.630 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -0.217 -12.733 6.140 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -0.651 -15.663 6.398 1.00 0.00 H new ATOM 0 HE3 LYS B 32 0.645 -15.252 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 1.368 -15.462 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 1.704 -13.932 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 0.395 -14.131 8.044 1.00 0.00 H new ATOM 1461 N LYS B 33 -5.277 -15.516 6.125 1.00 0.00 N ATOM 1462 CA LYS B 33 -6.702 -15.802 6.484 1.00 0.00 C ATOM 1463 C LYS B 33 -6.963 -15.411 7.950 1.00 0.00 C ATOM 1464 O LYS B 33 -6.115 -14.836 8.608 1.00 0.00 O ATOM 1465 CB LYS B 33 -7.000 -17.297 6.279 1.00 0.00 C ATOM 1466 CG LYS B 33 -5.989 -18.146 7.057 1.00 0.00 C ATOM 1467 CD LYS B 33 -5.952 -19.562 6.476 1.00 0.00 C ATOM 1468 CE LYS B 33 -4.878 -19.641 5.388 1.00 0.00 C ATOM 1469 NZ LYS B 33 -4.739 -21.052 4.925 1.00 0.00 N ATOM 0 H LYS B 33 -4.652 -15.386 6.921 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.357 -15.216 5.840 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.012 -17.524 6.615 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -6.954 -17.543 5.218 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.999 -17.693 7.001 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.264 -18.182 8.111 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -5.740 -20.284 7.264 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -6.926 -19.821 6.060 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.146 -18.997 4.550 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -3.926 -19.279 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.009 -21.105 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -4.464 -21.655 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -5.647 -21.382 4.539 1.00 0.00 H new ATOM 1483 N LYS B 34 -8.138 -15.710 8.458 1.00 0.00 N ATOM 1484 CA LYS B 34 -8.475 -15.352 9.872 1.00 0.00 C ATOM 1485 C LYS B 34 -7.555 -16.087 10.845 1.00 0.00 C ATOM 1486 O LYS B 34 -7.372 -17.291 10.766 1.00 0.00 O ATOM 1487 CB LYS B 34 -9.934 -15.723 10.162 1.00 0.00 C ATOM 1488 CG LYS B 34 -10.545 -14.700 11.127 1.00 0.00 C ATOM 1489 CD LYS B 34 -10.445 -15.221 12.563 1.00 0.00 C ATOM 1490 CE LYS B 34 -10.255 -14.044 13.523 1.00 0.00 C ATOM 1491 NZ LYS B 34 -10.638 -14.456 14.905 1.00 0.00 N ATOM 0 H LYS B 34 -8.881 -16.189 7.949 1.00 0.00 H new ATOM 0 HA LYS B 34 -8.336 -14.279 10.004 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -10.505 -15.748 9.234 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -9.986 -16.722 10.595 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -10.024 -13.746 11.039 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -11.588 -14.519 10.868 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -11.347 -15.774 12.824 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -9.609 -15.915 12.652 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -9.217 -13.713 13.506 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -10.865 -13.199 13.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -10.508 -13.654 15.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -11.635 -14.752 14.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -10.038 -15.249 15.209 1.00 0.00 H new ATOM 1505 N ASN B 35 -6.984 -15.348 11.765 1.00 0.00 N ATOM 1506 CA ASN B 35 -6.065 -15.935 12.788 1.00 0.00 C ATOM 1507 C ASN B 35 -4.788 -16.489 12.129 1.00 0.00 C ATOM 1508 O ASN B 35 -4.058 -17.258 12.731 1.00 0.00 O ATOM 1509 CB ASN B 35 -6.789 -17.052 13.546 1.00 0.00 C ATOM 1510 CG ASN B 35 -6.810 -16.728 15.043 1.00 0.00 C ATOM 1511 OD1 ASN B 35 -6.261 -17.461 15.842 1.00 0.00 O ATOM 1512 ND2 ASN B 35 -7.424 -15.653 15.461 1.00 0.00 N ATOM 0 H ASN B 35 -7.120 -14.341 11.851 1.00 0.00 H new ATOM 0 HA ASN B 35 -5.774 -15.149 13.485 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -7.807 -17.158 13.172 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -6.287 -18.005 13.377 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -7.442 -15.430 16.456 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -7.885 -15.037 14.792 1.00 0.00 H new ATOM 1519 N ASP B 36 -4.508 -16.098 10.908 1.00 0.00 N ATOM 1520 CA ASP B 36 -3.277 -16.590 10.214 1.00 0.00 C ATOM 1521 C ASP B 36 -2.098 -15.637 10.473 1.00 0.00 C ATOM 1522 O ASP B 36 -1.007 -15.858 9.978 1.00 0.00 O ATOM 1523 CB ASP B 36 -3.546 -16.662 8.711 1.00 0.00 C ATOM 1524 CG ASP B 36 -2.736 -17.807 8.091 1.00 0.00 C ATOM 1525 OD1 ASP B 36 -3.121 -18.951 8.277 1.00 0.00 O ATOM 1526 OD2 ASP B 36 -1.747 -17.520 7.435 1.00 0.00 O ATOM 0 H ASP B 36 -5.082 -15.457 10.361 1.00 0.00 H new ATOM 0 HA ASP B 36 -3.023 -17.578 10.599 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.610 -16.817 8.530 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -3.277 -15.717 8.239 1.00 0.00 H new ATOM 1531 N ILE B 37 -2.312 -14.584 11.241 1.00 0.00 N ATOM 1532 CA ILE B 37 -1.226 -13.602 11.544 1.00 0.00 C ATOM 1533 C ILE B 37 -0.884 -12.802 10.284 1.00 0.00 C ATOM 1534 O ILE B 37 -0.834 -13.333 9.187 1.00 0.00 O ATOM 1535 CB ILE B 37 0.019 -14.331 12.056 1.00 0.00 C ATOM 1536 CG1 ILE B 37 -0.392 -15.332 13.149 1.00 0.00 C ATOM 1537 CG2 ILE B 37 1.011 -13.309 12.623 1.00 0.00 C ATOM 1538 CD1 ILE B 37 0.839 -15.805 13.925 1.00 0.00 C ATOM 0 H ILE B 37 -3.210 -14.367 11.674 1.00 0.00 H new ATOM 0 HA ILE B 37 -1.574 -12.918 12.318 1.00 0.00 H new ATOM 0 HB ILE B 37 0.495 -14.871 11.237 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -1.103 -14.865 13.831 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -0.897 -16.186 12.698 1.00 0.00 H new ATOM 0 HG21 ILE B 37 1.898 -13.827 12.988 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.297 -12.607 11.840 1.00 0.00 H new ATOM 0 HG23 ILE B 37 0.544 -12.766 13.445 1.00 0.00 H new ATOM 0 HD11 ILE B 37 0.534 -16.513 14.695 1.00 0.00 H new ATOM 0 HD12 ILE B 37 1.536 -16.291 13.242 1.00 0.00 H new ATOM 0 HD13 ILE B 37 1.326 -14.949 14.392 1.00 0.00 H new ATOM 1550 N VAL B 38 -0.651 -11.526 10.438 1.00 0.00 N ATOM 1551 CA VAL B 38 -0.316 -10.669 9.265 1.00 0.00 C ATOM 1552 C VAL B 38 1.116 -10.947 8.808 1.00 0.00 C ATOM 1553 O VAL B 38 2.041 -10.991 9.602 1.00 0.00 O ATOM 1554 CB VAL B 38 -0.462 -9.184 9.634 1.00 0.00 C ATOM 1555 CG1 VAL B 38 0.536 -8.810 10.730 1.00 0.00 C ATOM 1556 CG2 VAL B 38 -0.182 -8.328 8.398 1.00 0.00 C ATOM 0 H VAL B 38 -0.679 -11.038 11.333 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.004 -10.903 8.453 1.00 0.00 H new ATOM 0 HB VAL B 38 -1.475 -9.008 9.995 1.00 0.00 H new ATOM 0 HG11 VAL B 38 0.422 -7.756 10.982 1.00 0.00 H new ATOM 0 HG12 VAL B 38 0.348 -9.417 11.616 1.00 0.00 H new ATOM 0 HG13 VAL B 38 1.551 -8.990 10.375 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.284 -7.274 8.655 1.00 0.00 H new ATOM 0 HG22 VAL B 38 0.832 -8.519 8.045 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -0.893 -8.581 7.612 1.00 0.00 H new ATOM 1566 N ASP B 39 1.301 -11.116 7.525 1.00 0.00 N ATOM 1567 CA ASP B 39 2.663 -11.368 6.981 1.00 0.00 C ATOM 1568 C ASP B 39 3.488 -10.085 7.142 1.00 0.00 C ATOM 1569 O ASP B 39 3.040 -9.021 6.757 1.00 0.00 O ATOM 1570 CB ASP B 39 2.561 -11.741 5.497 1.00 0.00 C ATOM 1571 CG ASP B 39 3.904 -12.292 5.005 1.00 0.00 C ATOM 1572 OD1 ASP B 39 4.152 -13.469 5.212 1.00 0.00 O ATOM 1573 OD2 ASP B 39 4.659 -11.527 4.428 1.00 0.00 O ATOM 0 H ASP B 39 0.558 -11.089 6.826 1.00 0.00 H new ATOM 0 HA ASP B 39 3.141 -12.189 7.516 1.00 0.00 H new ATOM 0 HB2 ASP B 39 1.778 -12.485 5.353 1.00 0.00 H new ATOM 0 HB3 ASP B 39 2.280 -10.866 4.911 1.00 0.00 H new ATOM 1578 N PRO B 40 4.663 -10.218 7.715 1.00 0.00 N ATOM 1579 CA PRO B 40 5.560 -9.070 7.954 1.00 0.00 C ATOM 1580 C PRO B 40 6.149 -8.560 6.635 1.00 0.00 C ATOM 1581 O PRO B 40 6.276 -7.365 6.435 1.00 0.00 O ATOM 1582 CB PRO B 40 6.638 -9.635 8.880 1.00 0.00 C ATOM 1583 CG PRO B 40 6.617 -11.169 8.686 1.00 0.00 C ATOM 1584 CD PRO B 40 5.213 -11.517 8.157 1.00 0.00 C ATOM 0 HA PRO B 40 5.052 -8.212 8.394 1.00 0.00 H new ATOM 0 HB2 PRO B 40 7.617 -9.225 8.632 1.00 0.00 H new ATOM 0 HB3 PRO B 40 6.436 -9.372 9.918 1.00 0.00 H new ATOM 0 HG2 PRO B 40 7.387 -11.483 7.981 1.00 0.00 H new ATOM 0 HG3 PRO B 40 6.817 -11.683 9.626 1.00 0.00 H new ATOM 0 HD2 PRO B 40 5.262 -12.230 7.334 1.00 0.00 H new ATOM 0 HD3 PRO B 40 4.595 -11.968 8.933 1.00 0.00 H new ATOM 1592 N SER B 41 6.479 -9.450 5.726 1.00 0.00 N ATOM 1593 CA SER B 41 7.024 -9.007 4.407 1.00 0.00 C ATOM 1594 C SER B 41 5.942 -8.192 3.683 1.00 0.00 C ATOM 1595 O SER B 41 6.237 -7.314 2.893 1.00 0.00 O ATOM 1596 CB SER B 41 7.402 -10.229 3.565 1.00 0.00 C ATOM 1597 OG SER B 41 8.474 -9.889 2.696 1.00 0.00 O ATOM 0 H SER B 41 6.394 -10.460 5.843 1.00 0.00 H new ATOM 0 HA SER B 41 7.914 -8.396 4.557 1.00 0.00 H new ATOM 0 HB2 SER B 41 7.693 -11.056 4.213 1.00 0.00 H new ATOM 0 HB3 SER B 41 6.542 -10.566 2.986 1.00 0.00 H new ATOM 0 HG SER B 41 8.719 -10.670 2.157 1.00 0.00 H new ATOM 1603 N LYS B 42 4.688 -8.479 3.966 1.00 0.00 N ATOM 1604 CA LYS B 42 3.564 -7.736 3.328 1.00 0.00 C ATOM 1605 C LYS B 42 3.240 -6.472 4.142 1.00 0.00 C ATOM 1606 O LYS B 42 2.679 -5.529 3.616 1.00 0.00 O ATOM 1607 CB LYS B 42 2.325 -8.636 3.272 1.00 0.00 C ATOM 1608 CG LYS B 42 2.602 -9.841 2.366 1.00 0.00 C ATOM 1609 CD LYS B 42 1.815 -9.695 1.062 1.00 0.00 C ATOM 1610 CE LYS B 42 1.952 -10.975 0.233 1.00 0.00 C ATOM 1611 NZ LYS B 42 1.011 -12.012 0.750 1.00 0.00 N ATOM 0 H LYS B 42 4.400 -9.206 4.621 1.00 0.00 H new ATOM 0 HA LYS B 42 3.855 -7.447 2.318 1.00 0.00 H new ATOM 0 HB2 LYS B 42 2.064 -8.975 4.275 1.00 0.00 H new ATOM 0 HB3 LYS B 42 1.472 -8.073 2.894 1.00 0.00 H new ATOM 0 HG2 LYS B 42 3.669 -9.911 2.153 1.00 0.00 H new ATOM 0 HG3 LYS B 42 2.317 -10.763 2.873 1.00 0.00 H new ATOM 0 HD2 LYS B 42 0.765 -9.501 1.279 1.00 0.00 H new ATOM 0 HD3 LYS B 42 2.186 -8.841 0.495 1.00 0.00 H new ATOM 0 HE2 LYS B 42 1.738 -10.766 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS B 42 2.977 -11.343 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 1.082 -12.868 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 1.257 -12.244 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 0.038 -11.647 0.713 1.00 0.00 H new ATOM 1625 N ILE B 43 3.586 -6.446 5.418 1.00 0.00 N ATOM 1626 CA ILE B 43 3.299 -5.242 6.267 1.00 0.00 C ATOM 1627 C ILE B 43 3.878 -3.989 5.599 1.00 0.00 C ATOM 1628 O ILE B 43 5.081 -3.801 5.535 1.00 0.00 O ATOM 1629 CB ILE B 43 3.923 -5.420 7.661 1.00 0.00 C ATOM 1630 CG1 ILE B 43 3.062 -6.381 8.488 1.00 0.00 C ATOM 1631 CG2 ILE B 43 3.994 -4.063 8.375 1.00 0.00 C ATOM 1632 CD1 ILE B 43 3.786 -6.741 9.788 1.00 0.00 C ATOM 0 H ILE B 43 4.055 -7.211 5.904 1.00 0.00 H new ATOM 0 HA ILE B 43 2.220 -5.130 6.372 1.00 0.00 H new ATOM 0 HB ILE B 43 4.929 -5.827 7.554 1.00 0.00 H new ATOM 0 HG12 ILE B 43 2.100 -5.920 8.713 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.856 -7.284 7.914 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.437 -4.194 9.362 1.00 0.00 H new ATOM 0 HG22 ILE B 43 4.606 -3.376 7.791 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.989 -3.654 8.479 1.00 0.00 H new ATOM 0 HD11 ILE B 43 3.169 -7.424 10.371 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.737 -7.220 9.554 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.969 -5.835 10.365 1.00 0.00 H new ATOM 1644 N GLU B 44 3.018 -3.138 5.105 1.00 0.00 N ATOM 1645 CA GLU B 44 3.473 -1.884 4.440 1.00 0.00 C ATOM 1646 C GLU B 44 3.031 -0.672 5.268 1.00 0.00 C ATOM 1647 O GLU B 44 3.665 0.367 5.245 1.00 0.00 O ATOM 1648 CB GLU B 44 2.855 -1.799 3.042 1.00 0.00 C ATOM 1649 CG GLU B 44 3.632 -2.702 2.083 1.00 0.00 C ATOM 1650 CD GLU B 44 3.532 -2.151 0.657 1.00 0.00 C ATOM 1651 OE1 GLU B 44 4.382 -1.357 0.288 1.00 0.00 O ATOM 1652 OE2 GLU B 44 2.608 -2.535 -0.042 1.00 0.00 O ATOM 0 H GLU B 44 2.006 -3.261 5.135 1.00 0.00 H new ATOM 0 HA GLU B 44 4.560 -1.889 4.360 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.809 -2.103 3.077 1.00 0.00 H new ATOM 0 HB3 GLU B 44 2.876 -0.769 2.686 1.00 0.00 H new ATOM 0 HG2 GLU B 44 4.677 -2.759 2.388 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.233 -3.716 2.120 1.00 0.00 H new ATOM 1659 N LYS B 45 1.944 -0.799 5.999 1.00 0.00 N ATOM 1660 CA LYS B 45 1.446 0.338 6.832 1.00 0.00 C ATOM 1661 C LYS B 45 0.723 -0.207 8.071 1.00 0.00 C ATOM 1662 O LYS B 45 -0.311 -0.842 7.966 1.00 0.00 O ATOM 1663 CB LYS B 45 0.477 1.190 6.003 1.00 0.00 C ATOM 1664 CG LYS B 45 1.175 2.476 5.552 1.00 0.00 C ATOM 1665 CD LYS B 45 0.643 2.892 4.175 1.00 0.00 C ATOM 1666 CE LYS B 45 -0.115 4.218 4.294 1.00 0.00 C ATOM 1667 NZ LYS B 45 -1.516 3.960 4.735 1.00 0.00 N ATOM 0 H LYS B 45 1.381 -1.648 6.052 1.00 0.00 H new ATOM 0 HA LYS B 45 2.289 0.951 7.150 1.00 0.00 H new ATOM 0 HB2 LYS B 45 0.135 0.627 5.135 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -0.406 1.432 6.594 1.00 0.00 H new ATOM 0 HG2 LYS B 45 0.999 3.271 6.277 1.00 0.00 H new ATOM 0 HG3 LYS B 45 2.253 2.320 5.505 1.00 0.00 H new ATOM 0 HD2 LYS B 45 1.469 2.996 3.471 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -0.016 2.119 3.780 1.00 0.00 H new ATOM 0 HE2 LYS B 45 0.386 4.871 5.008 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -0.115 4.735 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -2.046 4.855 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -1.972 3.298 4.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -1.509 3.547 5.689 1.00 0.00 H new ATOM 1681 N THR B 46 1.261 0.040 9.243 1.00 0.00 N ATOM 1682 CA THR B 46 0.618 -0.458 10.496 1.00 0.00 C ATOM 1683 C THR B 46 -0.128 0.694 11.184 1.00 0.00 C ATOM 1684 O THR B 46 0.468 1.676 11.591 1.00 0.00 O ATOM 1685 CB THR B 46 1.691 -1.022 11.438 1.00 0.00 C ATOM 1686 OG1 THR B 46 2.395 -2.070 10.781 1.00 0.00 O ATOM 1687 CG2 THR B 46 1.032 -1.570 12.706 1.00 0.00 C ATOM 0 H THR B 46 2.122 0.568 9.383 1.00 0.00 H new ATOM 0 HA THR B 46 -0.092 -1.248 10.250 1.00 0.00 H new ATOM 0 HB THR B 46 2.386 -0.227 11.708 1.00 0.00 H new ATOM 0 HG1 THR B 46 3.081 -2.429 11.381 1.00 0.00 H new ATOM 0 HG21 THR B 46 1.798 -1.969 13.371 1.00 0.00 H new ATOM 0 HG22 THR B 46 0.494 -0.768 13.212 1.00 0.00 H new ATOM 0 HG23 THR B 46 0.334 -2.364 12.439 1.00 0.00 H new ATOM 1695 N PHE B 47 -1.429 0.572 11.311 1.00 0.00 N ATOM 1696 CA PHE B 47 -2.243 1.641 11.966 1.00 0.00 C ATOM 1697 C PHE B 47 -2.916 1.083 13.221 1.00 0.00 C ATOM 1698 O PHE B 47 -3.386 -0.036 13.236 1.00 0.00 O ATOM 1699 CB PHE B 47 -3.321 2.126 10.999 1.00 0.00 C ATOM 1700 CG PHE B 47 -2.756 3.177 10.075 1.00 0.00 C ATOM 1701 CD1 PHE B 47 -1.721 2.857 9.186 1.00 0.00 C ATOM 1702 CD2 PHE B 47 -3.272 4.476 10.106 1.00 0.00 C ATOM 1703 CE1 PHE B 47 -1.205 3.838 8.332 1.00 0.00 C ATOM 1704 CE2 PHE B 47 -2.755 5.455 9.253 1.00 0.00 C ATOM 1705 CZ PHE B 47 -1.723 5.138 8.367 1.00 0.00 C ATOM 0 H PHE B 47 -1.965 -0.232 10.985 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.589 2.470 12.239 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.703 1.287 10.417 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -4.163 2.536 11.557 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.322 1.854 9.160 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -4.071 4.723 10.790 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -0.408 3.592 7.646 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -3.154 6.458 9.279 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.325 5.896 7.709 1.00 0.00 H new ATOM 1715 N ILE B 48 -2.956 1.860 14.273 1.00 0.00 N ATOM 1716 CA ILE B 48 -3.591 1.400 15.545 1.00 0.00 C ATOM 1717 C ILE B 48 -4.625 2.433 16.009 1.00 0.00 C ATOM 1718 O ILE B 48 -4.450 3.625 15.831 1.00 0.00 O ATOM 1719 CB ILE B 48 -2.515 1.236 16.627 1.00 0.00 C ATOM 1720 CG1 ILE B 48 -1.168 0.909 15.958 1.00 0.00 C ATOM 1721 CG2 ILE B 48 -2.919 0.105 17.579 1.00 0.00 C ATOM 1722 CD1 ILE B 48 -0.211 0.287 16.971 1.00 0.00 C ATOM 0 H ILE B 48 -2.571 2.804 14.305 1.00 0.00 H new ATOM 0 HA ILE B 48 -4.085 0.444 15.374 1.00 0.00 H new ATOM 0 HB ILE B 48 -2.417 2.161 17.195 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -1.325 0.222 15.126 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.730 1.817 15.544 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -2.156 -0.013 18.348 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -3.873 0.347 18.048 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -3.016 -0.825 17.019 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.738 0.061 16.484 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.041 0.987 17.789 1.00 0.00 H new ATOM 0 HD13 ILE B 48 -0.645 -0.632 17.365 1.00 0.00 H new ATOM 1734 N ARG B 49 -5.701 1.975 16.603 1.00 0.00 N ATOM 1735 CA ARG B 49 -6.766 2.907 17.086 1.00 0.00 C ATOM 1736 C ARG B 49 -6.190 3.861 18.142 1.00 0.00 C ATOM 1737 O ARG B 49 -5.473 3.453 19.040 1.00 0.00 O ATOM 1738 CB ARG B 49 -7.923 2.100 17.695 1.00 0.00 C ATOM 1739 CG ARG B 49 -7.405 1.208 18.832 1.00 0.00 C ATOM 1740 CD ARG B 49 -7.826 -0.242 18.582 1.00 0.00 C ATOM 1741 NE ARG B 49 -9.203 -0.460 19.108 1.00 0.00 N ATOM 1742 CZ ARG B 49 -10.161 -0.835 18.303 1.00 0.00 C ATOM 1743 NH1 ARG B 49 -10.766 0.050 17.553 1.00 0.00 N ATOM 1744 NH2 ARG B 49 -10.516 -2.091 18.249 1.00 0.00 N ATOM 0 H ARG B 49 -5.887 0.987 16.775 1.00 0.00 H new ATOM 0 HA ARG B 49 -7.136 3.491 16.243 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.689 2.777 18.074 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -8.392 1.486 16.926 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -6.319 1.276 18.895 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -7.802 1.553 19.787 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -7.794 -0.462 17.515 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -7.128 -0.923 19.069 1.00 0.00 H new ATOM 0 HE ARG B 49 -9.398 -0.316 20.099 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -10.489 1.031 17.597 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -11.514 -0.241 16.924 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -10.045 -2.780 18.836 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -11.264 -2.383 17.620 1.00 0.00 H new