USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 TYR OH : rot 30:sc= 0.19 USER MOD Set 1.2: A 87 SER OG : rot -55:sc= 0.192 USER MOD Set 2.1: A 49 HIS :FLIP no HE2:sc= 0.107 F(o=-0.41,f=0.12) USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0.00829 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.182) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.274 (180deg=-0.393) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -4.64 K(o=-4.6,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0529 (180deg=-0.473) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.059) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.415 K(o=-0.41,f=-2.1!) USER MOD Single : A 32 MET CE :methyl 167:sc= -0.411 (180deg=-0.92) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.056) USER MOD Single : A 39 THR OG1 : rot 174:sc= 1.58 USER MOD Single : A 42 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 1.89 (180deg=1.1) USER MOD Single : A 52 GLN : amide:sc= -4.06! C(o=-4.1!,f=-8.1!) USER MOD Single : A 53 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.51) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 0.148 (180deg=0.0954) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 130:sc= -0.37 USER MOD Single : A 69 THR OG1 : rot -88:sc= 0.276 USER MOD Single : A 71 SER OG : rot 69:sc= -4.49! USER MOD Single : A 75 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.3) USER MOD Single : A 80 MET CE :methyl 152:sc= -0.75 (180deg=-1.52!) USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0.0118 (180deg=0.00524) USER MOD Single : A 90 ASN : amide:sc= -0.13 K(o=-0.13,f=-0.77) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0736) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.644 9.104 0.972 1.00 0.00 N ATOM 2 CA MET A 1 -7.844 7.683 0.558 1.00 0.00 C ATOM 3 C MET A 1 -8.540 7.620 -0.797 1.00 0.00 C ATOM 4 O MET A 1 -8.809 8.630 -1.417 1.00 0.00 O ATOM 5 CB MET A 1 -8.758 7.077 1.617 1.00 0.00 C ATOM 6 CG MET A 1 -7.993 6.903 2.932 1.00 0.00 C ATOM 7 SD MET A 1 -9.020 7.481 4.305 1.00 0.00 S ATOM 8 CE MET A 1 -8.713 9.252 4.092 1.00 0.00 C ATOM 0 H1 MET A 1 -7.066 9.136 1.836 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.159 9.622 0.212 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.568 9.545 1.157 1.00 0.00 H new ATOM 0 HA MET A 1 -6.894 7.155 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.624 7.720 1.773 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.135 6.113 1.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.729 5.855 3.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.060 7.465 2.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.128 9.798 4.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.639 9.431 4.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.187 9.595 3.173 1.00 0.00 H new ATOM 20 N LEU A 2 -8.852 6.440 -1.251 1.00 0.00 N ATOM 21 CA LEU A 2 -9.552 6.315 -2.555 1.00 0.00 C ATOM 22 C LEU A 2 -10.918 5.685 -2.377 1.00 0.00 C ATOM 23 O LEU A 2 -11.159 4.901 -1.482 1.00 0.00 O ATOM 24 CB LEU A 2 -8.655 5.462 -3.437 1.00 0.00 C ATOM 25 CG LEU A 2 -9.202 5.498 -4.858 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.047 5.441 -5.860 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.111 4.297 -5.053 1.00 0.00 C ATOM 0 H LEU A 2 -8.653 5.560 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.726 7.291 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.632 5.839 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.625 4.437 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.760 6.420 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.444 5.467 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.389 6.296 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.484 4.519 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.513 4.306 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.542 3.381 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.932 4.342 -4.337 1.00 0.00 H new ATOM 39 N THR A 3 -11.820 6.067 -3.223 1.00 0.00 N ATOM 40 CA THR A 3 -13.205 5.554 -3.134 1.00 0.00 C ATOM 41 C THR A 3 -13.614 4.888 -4.457 1.00 0.00 C ATOM 42 O THR A 3 -12.946 5.013 -5.463 1.00 0.00 O ATOM 43 CB THR A 3 -14.009 6.818 -2.787 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.730 6.596 -1.583 1.00 0.00 O ATOM 45 CG2 THR A 3 -14.996 7.218 -3.896 1.00 0.00 C ATOM 0 H THR A 3 -11.654 6.724 -3.985 1.00 0.00 H new ATOM 0 HA THR A 3 -13.362 4.770 -2.393 1.00 0.00 H new ATOM 0 HB THR A 3 -13.296 7.635 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.243 7.399 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.536 8.116 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.448 7.414 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.705 6.407 -4.062 1.00 0.00 H new ATOM 53 N GLY A 4 -14.706 4.181 -4.451 1.00 0.00 N ATOM 54 CA GLY A 4 -15.171 3.493 -5.696 1.00 0.00 C ATOM 55 C GLY A 4 -15.142 4.460 -6.884 1.00 0.00 C ATOM 56 O GLY A 4 -14.608 4.157 -7.931 1.00 0.00 O ATOM 0 H GLY A 4 -15.304 4.046 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.534 2.633 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.183 3.113 -5.553 1.00 0.00 H new ATOM 60 N LYS A 5 -15.717 5.621 -6.732 1.00 0.00 N ATOM 61 CA LYS A 5 -15.725 6.605 -7.855 1.00 0.00 C ATOM 62 C LYS A 5 -14.301 6.878 -8.344 1.00 0.00 C ATOM 63 O LYS A 5 -14.028 6.856 -9.528 1.00 0.00 O ATOM 64 CB LYS A 5 -16.337 7.870 -7.263 1.00 0.00 C ATOM 65 CG LYS A 5 -16.668 8.857 -8.383 1.00 0.00 C ATOM 66 CD LYS A 5 -18.139 9.267 -8.280 1.00 0.00 C ATOM 67 CE LYS A 5 -18.439 10.360 -9.309 1.00 0.00 C ATOM 68 NZ LYS A 5 -19.628 9.867 -10.059 1.00 0.00 N ATOM 0 H LYS A 5 -16.182 5.932 -5.879 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.285 6.239 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.240 7.622 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.642 8.326 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.028 9.736 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.473 8.401 -9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.781 8.403 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.357 9.629 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.646 11.313 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.591 10.519 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.895 10.564 -10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.399 8.962 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -20.422 9.731 -9.401 1.00 0.00 H new ATOM 82 N GLN A 6 -13.388 7.131 -7.447 1.00 0.00 N ATOM 83 CA GLN A 6 -11.990 7.394 -7.870 1.00 0.00 C ATOM 84 C GLN A 6 -11.402 6.110 -8.442 1.00 0.00 C ATOM 85 O GLN A 6 -10.708 6.113 -9.441 1.00 0.00 O ATOM 86 CB GLN A 6 -11.282 7.803 -6.584 1.00 0.00 C ATOM 87 CG GLN A 6 -11.959 9.051 -6.007 1.00 0.00 C ATOM 88 CD GLN A 6 -11.497 9.260 -4.565 1.00 0.00 C ATOM 89 OE1 GLN A 6 -10.340 9.058 -4.251 1.00 0.00 O ATOM 90 NE2 GLN A 6 -12.355 9.660 -3.666 1.00 0.00 N ATOM 0 H GLN A 6 -13.553 7.166 -6.441 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.897 8.161 -8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.318 6.988 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.230 8.006 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.711 9.924 -6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.043 8.938 -6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.326 9.830 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.054 9.803 -2.702 1.00 0.00 H new ATOM 99 N LYS A 7 -11.703 5.008 -7.821 1.00 0.00 N ATOM 100 CA LYS A 7 -11.203 3.699 -8.315 1.00 0.00 C ATOM 101 C LYS A 7 -11.647 3.509 -9.764 1.00 0.00 C ATOM 102 O LYS A 7 -10.915 3.009 -10.582 1.00 0.00 O ATOM 103 CB LYS A 7 -11.877 2.671 -7.402 1.00 0.00 C ATOM 104 CG LYS A 7 -11.706 1.266 -7.980 1.00 0.00 C ATOM 105 CD LYS A 7 -12.361 0.245 -7.048 1.00 0.00 C ATOM 106 CE LYS A 7 -11.690 0.298 -5.674 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.761 0.745 -4.741 1.00 0.00 N ATOM 0 H LYS A 7 -12.281 4.958 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.117 3.612 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.441 2.718 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.937 2.904 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.158 1.212 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.647 1.037 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.426 0.456 -6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.271 -0.756 -7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.299 -0.678 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.849 0.992 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.472 0.550 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.920 1.766 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.641 0.231 -4.951 1.00 0.00 H new ATOM 121 N ARG A 8 -12.846 3.901 -10.085 1.00 0.00 N ATOM 122 CA ARG A 8 -13.325 3.732 -11.485 1.00 0.00 C ATOM 123 C ARG A 8 -12.377 4.451 -12.453 1.00 0.00 C ATOM 124 O ARG A 8 -11.843 3.860 -13.377 1.00 0.00 O ATOM 125 CB ARG A 8 -14.711 4.382 -11.498 1.00 0.00 C ATOM 126 CG ARG A 8 -15.552 3.771 -12.622 1.00 0.00 C ATOM 127 CD ARG A 8 -17.038 3.984 -12.325 1.00 0.00 C ATOM 128 NE ARG A 8 -17.673 2.658 -12.568 1.00 0.00 N ATOM 129 CZ ARG A 8 -18.171 2.377 -13.742 1.00 0.00 C ATOM 130 NH1 ARG A 8 -19.408 2.687 -14.020 1.00 0.00 N ATOM 131 NH2 ARG A 8 -17.430 1.784 -14.639 1.00 0.00 N ATOM 0 H ARG A 8 -13.513 4.329 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.361 2.688 -11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.204 4.231 -10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.618 5.458 -11.643 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.292 4.231 -13.576 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.338 2.706 -12.712 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.192 4.313 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.464 4.750 -12.972 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.719 1.969 -11.817 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.988 3.150 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.795 2.467 -14.938 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.463 1.541 -14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.818 1.564 -15.556 1.00 0.00 H new ATOM 145 N TYR A 9 -12.158 5.717 -12.238 1.00 0.00 N ATOM 146 CA TYR A 9 -11.246 6.488 -13.134 1.00 0.00 C ATOM 147 C TYR A 9 -9.829 5.935 -13.073 1.00 0.00 C ATOM 148 O TYR A 9 -9.143 5.823 -14.071 1.00 0.00 O ATOM 149 CB TYR A 9 -11.238 7.903 -12.562 1.00 0.00 C ATOM 150 CG TYR A 9 -12.613 8.513 -12.691 1.00 0.00 C ATOM 151 CD1 TYR A 9 -13.222 8.609 -13.948 1.00 0.00 C ATOM 152 CD2 TYR A 9 -13.280 8.981 -11.552 1.00 0.00 C ATOM 153 CE1 TYR A 9 -14.496 9.175 -14.067 1.00 0.00 C ATOM 154 CE2 TYR A 9 -14.555 9.548 -11.671 1.00 0.00 C ATOM 155 CZ TYR A 9 -15.163 9.644 -12.929 1.00 0.00 C ATOM 156 OH TYR A 9 -16.420 10.201 -13.048 1.00 0.00 O ATOM 0 H TYR A 9 -12.572 6.256 -11.477 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.578 6.440 -14.171 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.937 7.880 -11.515 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.507 8.515 -13.091 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.708 8.246 -14.826 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.811 8.905 -10.582 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.965 9.250 -15.037 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -15.069 9.911 -10.793 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.742 10.474 -12.164 1.00 0.00 H new ATOM 166 N LEU A 10 -9.372 5.643 -11.896 1.00 0.00 N ATOM 167 CA LEU A 10 -7.982 5.158 -11.740 1.00 0.00 C ATOM 168 C LEU A 10 -7.825 3.687 -12.107 1.00 0.00 C ATOM 169 O LEU A 10 -6.918 3.323 -12.830 1.00 0.00 O ATOM 170 CB LEU A 10 -7.667 5.384 -10.267 1.00 0.00 C ATOM 171 CG LEU A 10 -6.390 6.198 -10.185 1.00 0.00 C ATOM 172 CD1 LEU A 10 -6.089 6.559 -8.737 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.246 5.354 -10.742 1.00 0.00 C ATOM 0 H LEU A 10 -9.905 5.720 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.303 5.686 -12.410 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.487 5.909 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.546 4.431 -9.752 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.503 7.118 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.170 7.143 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.912 7.145 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.969 5.647 -8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.317 5.922 -10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.146 4.442 -10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.457 5.094 -11.779 1.00 0.00 H new ATOM 185 N ARG A 11 -8.674 2.829 -11.614 1.00 0.00 N ATOM 186 CA ARG A 11 -8.525 1.385 -11.947 1.00 0.00 C ATOM 187 C ARG A 11 -8.404 1.214 -13.471 1.00 0.00 C ATOM 188 O ARG A 11 -7.811 0.273 -13.959 1.00 0.00 O ATOM 189 CB ARG A 11 -9.786 0.692 -11.398 1.00 0.00 C ATOM 190 CG ARG A 11 -11.004 0.986 -12.286 1.00 0.00 C ATOM 191 CD ARG A 11 -11.282 -0.222 -13.183 1.00 0.00 C ATOM 192 NE ARG A 11 -12.329 0.239 -14.136 1.00 0.00 N ATOM 193 CZ ARG A 11 -12.531 -0.412 -15.250 1.00 0.00 C ATOM 194 NH1 ARG A 11 -12.609 -1.714 -15.238 1.00 0.00 N ATOM 195 NH2 ARG A 11 -12.653 0.241 -16.373 1.00 0.00 N ATOM 0 H ARG A 11 -9.456 3.061 -11.002 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.628 0.949 -11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.621 -0.384 -11.345 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.981 1.035 -10.382 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.875 1.202 -11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.819 1.871 -12.895 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.381 -0.539 -13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.627 -1.076 -12.600 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.889 1.064 -13.919 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.512 -2.223 -14.359 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.767 -2.223 -16.107 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.591 1.259 -16.380 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.811 -0.267 -17.244 1.00 0.00 H new ATOM 209 N SER A 12 -8.968 2.130 -14.217 1.00 0.00 N ATOM 210 CA SER A 12 -8.896 2.039 -15.705 1.00 0.00 C ATOM 211 C SER A 12 -7.551 2.573 -16.222 1.00 0.00 C ATOM 212 O SER A 12 -6.969 2.020 -17.134 1.00 0.00 O ATOM 213 CB SER A 12 -10.045 2.911 -16.206 1.00 0.00 C ATOM 214 OG SER A 12 -10.120 2.818 -17.623 1.00 0.00 O ATOM 0 H SER A 12 -9.476 2.938 -13.858 1.00 0.00 H new ATOM 0 HA SER A 12 -8.974 1.009 -16.054 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.985 2.587 -15.758 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.889 3.947 -15.905 1.00 0.00 H new ATOM 0 HG SER A 12 -10.857 3.375 -17.949 1.00 0.00 H new ATOM 220 N LEU A 13 -7.055 3.643 -15.656 1.00 0.00 N ATOM 221 CA LEU A 13 -5.755 4.202 -16.133 1.00 0.00 C ATOM 222 C LEU A 13 -4.670 3.133 -16.073 1.00 0.00 C ATOM 223 O LEU A 13 -3.940 2.925 -17.020 1.00 0.00 O ATOM 224 CB LEU A 13 -5.427 5.336 -15.146 1.00 0.00 C ATOM 225 CG LEU A 13 -6.222 6.636 -15.432 1.00 0.00 C ATOM 226 CD1 LEU A 13 -5.262 7.710 -15.946 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.336 6.431 -16.473 1.00 0.00 C ATOM 0 H LEU A 13 -7.492 4.152 -14.887 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.811 4.551 -17.164 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.642 5.001 -14.131 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.360 5.552 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.692 6.940 -14.497 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.816 8.626 -16.149 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.499 7.906 -15.193 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.786 7.364 -16.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.860 7.373 -16.635 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.898 6.093 -17.412 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.040 5.682 -16.110 1.00 0.00 H new ATOM 239 N ALA A 14 -4.563 2.454 -14.968 1.00 0.00 N ATOM 240 CA ALA A 14 -3.523 1.397 -14.834 1.00 0.00 C ATOM 241 C ALA A 14 -3.572 0.442 -16.033 1.00 0.00 C ATOM 242 O ALA A 14 -2.586 -0.146 -16.413 1.00 0.00 O ATOM 243 CB ALA A 14 -3.900 0.648 -13.569 1.00 0.00 C ATOM 0 H ALA A 14 -5.154 2.586 -14.147 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.517 1.815 -14.795 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.182 -0.153 -13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.891 1.335 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.898 0.223 -13.681 1.00 0.00 H new ATOM 249 N HIS A 15 -4.723 0.273 -16.620 1.00 0.00 N ATOM 250 CA HIS A 15 -4.843 -0.656 -17.781 1.00 0.00 C ATOM 251 C HIS A 15 -3.831 -0.300 -18.875 1.00 0.00 C ATOM 252 O HIS A 15 -3.518 -1.108 -19.726 1.00 0.00 O ATOM 253 CB HIS A 15 -6.271 -0.464 -18.292 1.00 0.00 C ATOM 254 CG HIS A 15 -6.775 -1.756 -18.877 1.00 0.00 C ATOM 255 ND1 HIS A 15 -7.121 -1.875 -20.214 1.00 0.00 N ATOM 256 CD2 HIS A 15 -6.997 -2.990 -18.320 1.00 0.00 C ATOM 257 CE1 HIS A 15 -7.528 -3.142 -20.415 1.00 0.00 C ATOM 258 NE2 HIS A 15 -7.473 -3.865 -19.294 1.00 0.00 N ATOM 0 H HIS A 15 -5.588 0.738 -16.347 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.640 -1.688 -17.497 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.920 -0.144 -17.477 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.296 0.323 -19.046 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.828 -3.244 -17.284 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.859 -3.527 -21.368 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.725 -4.846 -19.176 1.00 0.00 H new ATOM 266 N ASN A 16 -3.322 0.903 -18.871 1.00 0.00 N ATOM 267 CA ASN A 16 -2.342 1.296 -19.926 1.00 0.00 C ATOM 268 C ASN A 16 -0.968 1.591 -19.317 1.00 0.00 C ATOM 269 O ASN A 16 0.022 1.672 -20.018 1.00 0.00 O ATOM 270 CB ASN A 16 -2.929 2.562 -20.550 1.00 0.00 C ATOM 271 CG ASN A 16 -2.419 2.713 -21.985 1.00 0.00 C ATOM 272 OD1 ASN A 16 -2.789 1.951 -22.856 1.00 0.00 O ATOM 273 ND2 ASN A 16 -1.581 3.671 -22.268 1.00 0.00 N ATOM 0 H ASN A 16 -3.541 1.627 -18.187 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.191 0.501 -20.657 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.018 2.511 -20.544 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.648 3.434 -19.960 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.235 3.781 -23.221 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.271 4.310 -21.536 1.00 0.00 H new ATOM 280 N ILE A 17 -0.890 1.763 -18.026 1.00 0.00 N ATOM 281 CA ILE A 17 0.419 2.060 -17.394 1.00 0.00 C ATOM 282 C ILE A 17 1.249 0.775 -17.309 1.00 0.00 C ATOM 283 O ILE A 17 0.813 -0.285 -17.712 1.00 0.00 O ATOM 284 CB ILE A 17 0.083 2.618 -16.001 1.00 0.00 C ATOM 285 CG1 ILE A 17 -1.097 3.620 -16.124 1.00 0.00 C ATOM 286 CG2 ILE A 17 1.323 3.294 -15.437 1.00 0.00 C ATOM 287 CD1 ILE A 17 -1.134 4.626 -14.964 1.00 0.00 C ATOM 0 H ILE A 17 -1.680 1.710 -17.383 1.00 0.00 H new ATOM 0 HA ILE A 17 1.012 2.777 -17.962 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.219 1.818 -15.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.015 4.160 -17.067 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.037 3.069 -16.153 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.101 3.695 -14.448 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.131 2.566 -15.360 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.627 4.106 -16.098 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.977 5.304 -15.097 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.245 4.090 -14.021 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.207 5.199 -14.949 1.00 0.00 H new ATOM 299 N ASP A 18 2.448 0.868 -16.818 1.00 0.00 N ATOM 300 CA ASP A 18 3.325 -0.336 -16.731 1.00 0.00 C ATOM 301 C ASP A 18 3.483 -0.815 -15.280 1.00 0.00 C ATOM 302 O ASP A 18 3.422 -0.023 -14.360 1.00 0.00 O ATOM 303 CB ASP A 18 4.670 0.112 -17.301 1.00 0.00 C ATOM 304 CG ASP A 18 4.532 0.350 -18.805 1.00 0.00 C ATOM 305 OD1 ASP A 18 3.509 0.881 -19.209 1.00 0.00 O ATOM 306 OD2 ASP A 18 5.450 -0.001 -19.528 1.00 0.00 O ATOM 0 H ASP A 18 2.865 1.731 -16.469 1.00 0.00 H new ATOM 0 HA ASP A 18 2.903 -1.178 -17.279 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.001 1.025 -16.806 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.429 -0.647 -17.110 1.00 0.00 H new ATOM 311 N PRO A 19 3.689 -2.104 -15.122 1.00 0.00 N ATOM 312 CA PRO A 19 3.862 -2.694 -13.767 1.00 0.00 C ATOM 313 C PRO A 19 5.100 -2.108 -13.086 1.00 0.00 C ATOM 314 O PRO A 19 6.221 -2.382 -13.466 1.00 0.00 O ATOM 315 CB PRO A 19 4.010 -4.190 -14.040 1.00 0.00 C ATOM 316 CG PRO A 19 4.476 -4.269 -15.454 1.00 0.00 C ATOM 317 CD PRO A 19 3.803 -3.127 -16.170 1.00 0.00 C ATOM 0 HA PRO A 19 3.033 -2.485 -13.091 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.728 -4.648 -13.360 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.064 -4.713 -13.905 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.561 -4.184 -15.514 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.206 -5.225 -15.902 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.395 -2.775 -17.015 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.827 -3.415 -16.562 1.00 0.00 H new ATOM 325 N ILE A 20 4.890 -1.291 -12.083 1.00 0.00 N ATOM 326 CA ILE A 20 6.031 -0.660 -11.354 1.00 0.00 C ATOM 327 C ILE A 20 7.133 -1.698 -11.069 1.00 0.00 C ATOM 328 O ILE A 20 8.295 -1.458 -11.326 1.00 0.00 O ATOM 329 CB ILE A 20 5.392 -0.096 -10.078 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.335 0.937 -9.438 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.071 -1.227 -9.098 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.916 1.216 -7.993 1.00 0.00 C ATOM 0 H ILE A 20 3.966 -1.033 -11.736 1.00 0.00 H new ATOM 0 HA ILE A 20 6.531 0.124 -11.923 1.00 0.00 H new ATOM 0 HB ILE A 20 4.456 0.400 -10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.360 0.567 -9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.317 1.862 -10.014 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.618 -0.811 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.376 -1.926 -9.564 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.990 -1.751 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.592 1.949 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.898 1.607 -7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.958 0.292 -7.417 1.00 0.00 H new ATOM 344 N PHE A 21 6.772 -2.853 -10.567 1.00 0.00 N ATOM 345 CA PHE A 21 7.787 -3.910 -10.287 1.00 0.00 C ATOM 346 C PHE A 21 7.114 -5.284 -10.240 1.00 0.00 C ATOM 347 O PHE A 21 5.913 -5.389 -10.089 1.00 0.00 O ATOM 348 CB PHE A 21 8.359 -3.549 -8.926 1.00 0.00 C ATOM 349 CG PHE A 21 9.323 -2.408 -9.090 1.00 0.00 C ATOM 350 CD1 PHE A 21 10.445 -2.531 -9.921 1.00 0.00 C ATOM 351 CD2 PHE A 21 9.078 -1.218 -8.424 1.00 0.00 C ATOM 352 CE1 PHE A 21 11.320 -1.445 -10.072 1.00 0.00 C ATOM 353 CE2 PHE A 21 9.941 -0.136 -8.573 1.00 0.00 C ATOM 354 CZ PHE A 21 11.063 -0.244 -9.398 1.00 0.00 C ATOM 0 H PHE A 21 5.811 -3.109 -10.338 1.00 0.00 H new ATOM 0 HA PHE A 21 8.560 -3.960 -11.054 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.557 -3.270 -8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.865 -4.410 -8.489 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.635 -3.457 -10.443 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.212 -1.129 -7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.190 -1.535 -10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.743 0.788 -8.050 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.731 0.596 -9.516 1.00 0.00 H new ATOM 364 N GLN A 22 7.871 -6.338 -10.373 1.00 0.00 N ATOM 365 CA GLN A 22 7.259 -7.696 -10.338 1.00 0.00 C ATOM 366 C GLN A 22 7.475 -8.355 -8.970 1.00 0.00 C ATOM 367 O GLN A 22 8.575 -8.414 -8.458 1.00 0.00 O ATOM 368 CB GLN A 22 7.967 -8.484 -11.442 1.00 0.00 C ATOM 369 CG GLN A 22 9.469 -8.549 -11.154 1.00 0.00 C ATOM 370 CD GLN A 22 10.241 -7.958 -12.335 1.00 0.00 C ATOM 371 OE1 GLN A 22 11.211 -8.531 -12.790 1.00 0.00 O ATOM 372 NE2 GLN A 22 9.850 -6.827 -12.852 1.00 0.00 N ATOM 0 H GLN A 22 8.882 -6.318 -10.504 1.00 0.00 H new ATOM 0 HA GLN A 22 6.181 -7.661 -10.494 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.556 -9.492 -11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.793 -8.010 -12.408 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.700 -7.997 -10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.774 -9.582 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.036 -6.346 -12.470 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.358 -6.423 -13.639 1.00 0.00 H new ATOM 381 N ILE A 23 6.425 -8.854 -8.378 1.00 0.00 N ATOM 382 CA ILE A 23 6.547 -9.517 -7.046 1.00 0.00 C ATOM 383 C ILE A 23 6.992 -10.970 -7.244 1.00 0.00 C ATOM 384 O ILE A 23 6.578 -11.623 -8.176 1.00 0.00 O ATOM 385 CB ILE A 23 5.121 -9.407 -6.445 1.00 0.00 C ATOM 386 CG1 ILE A 23 5.100 -8.267 -5.426 1.00 0.00 C ATOM 387 CG2 ILE A 23 4.662 -10.711 -5.748 1.00 0.00 C ATOM 388 CD1 ILE A 23 6.112 -8.555 -4.320 1.00 0.00 C ATOM 0 H ILE A 23 5.480 -8.831 -8.762 1.00 0.00 H new ATOM 0 HA ILE A 23 7.287 -9.066 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 23 4.433 -9.218 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.339 -7.323 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.101 -8.162 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.658 -10.575 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.657 -11.527 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.348 -10.950 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.098 -7.743 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.853 -9.490 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.109 -8.638 -4.752 1.00 0.00 H new ATOM 400 N GLY A 24 7.807 -11.486 -6.360 1.00 0.00 N ATOM 401 CA GLY A 24 8.248 -12.904 -6.492 1.00 0.00 C ATOM 402 C GLY A 24 7.109 -13.827 -6.056 1.00 0.00 C ATOM 403 O GLY A 24 6.139 -13.392 -5.470 1.00 0.00 O ATOM 0 H GLY A 24 8.185 -10.987 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.529 -13.116 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.131 -13.081 -5.878 1.00 0.00 H new ATOM 407 N LYS A 25 7.207 -15.095 -6.345 1.00 0.00 N ATOM 408 CA LYS A 25 6.111 -16.027 -5.951 1.00 0.00 C ATOM 409 C LYS A 25 6.220 -16.403 -4.472 1.00 0.00 C ATOM 410 O LYS A 25 5.229 -16.648 -3.813 1.00 0.00 O ATOM 411 CB LYS A 25 6.293 -17.259 -6.834 1.00 0.00 C ATOM 412 CG LYS A 25 5.232 -18.301 -6.476 1.00 0.00 C ATOM 413 CD LYS A 25 5.560 -19.619 -7.175 1.00 0.00 C ATOM 414 CE LYS A 25 4.520 -20.676 -6.791 1.00 0.00 C ATOM 415 NZ LYS A 25 5.058 -21.958 -7.329 1.00 0.00 N ATOM 0 H LYS A 25 7.992 -15.525 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 25 5.129 -15.573 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.207 -16.983 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.290 -17.676 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.200 -18.447 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.245 -17.951 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.568 -19.477 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.557 -19.955 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.388 -20.726 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.545 -20.445 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.400 -22.732 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.167 -21.883 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.983 -22.155 -6.897 1.00 0.00 H new ATOM 429 N GLY A 26 7.413 -16.452 -3.941 1.00 0.00 N ATOM 430 CA GLY A 26 7.573 -16.816 -2.502 1.00 0.00 C ATOM 431 C GLY A 26 6.651 -15.947 -1.643 1.00 0.00 C ATOM 432 O GLY A 26 6.113 -16.389 -0.647 1.00 0.00 O ATOM 0 H GLY A 26 8.281 -16.256 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.336 -17.870 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.610 -16.677 -2.195 1.00 0.00 H new ATOM 436 N GLY A 27 6.472 -14.712 -2.020 1.00 0.00 N ATOM 437 CA GLY A 27 5.595 -13.805 -1.236 1.00 0.00 C ATOM 438 C GLY A 27 6.103 -12.383 -1.430 1.00 0.00 C ATOM 439 O GLY A 27 7.211 -12.178 -1.888 1.00 0.00 O ATOM 0 H GLY A 27 6.900 -14.291 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.561 -13.890 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.612 -14.076 -0.180 1.00 0.00 H new ATOM 443 N ILE A 28 5.321 -11.396 -1.101 1.00 0.00 N ATOM 444 CA ILE A 28 5.808 -10.007 -1.296 1.00 0.00 C ATOM 445 C ILE A 28 7.010 -9.757 -0.378 1.00 0.00 C ATOM 446 O ILE A 28 6.899 -9.781 0.832 1.00 0.00 O ATOM 447 CB ILE A 28 4.613 -9.108 -0.934 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.682 -9.017 -2.138 1.00 0.00 C ATOM 449 CG2 ILE A 28 5.079 -7.691 -0.571 1.00 0.00 C ATOM 450 CD1 ILE A 28 2.231 -9.022 -1.663 1.00 0.00 C ATOM 0 H ILE A 28 4.382 -11.488 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 28 6.146 -9.809 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 28 4.101 -9.542 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.888 -8.107 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.858 -9.856 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.214 -7.077 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.752 -7.738 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.602 -7.251 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.566 -8.957 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.030 -9.944 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.060 -8.168 -1.007 1.00 0.00 H new ATOM 462 N ASN A 29 8.154 -9.510 -0.951 1.00 0.00 N ATOM 463 CA ASN A 29 9.366 -9.249 -0.122 1.00 0.00 C ATOM 464 C ASN A 29 9.665 -7.746 -0.092 1.00 0.00 C ATOM 465 O ASN A 29 9.507 -7.057 -1.080 1.00 0.00 O ATOM 466 CB ASN A 29 10.493 -10.005 -0.828 1.00 0.00 C ATOM 467 CG ASN A 29 11.344 -10.742 0.208 1.00 0.00 C ATOM 468 OD1 ASN A 29 11.261 -11.949 0.331 1.00 0.00 O ATOM 469 ND2 ASN A 29 12.163 -10.063 0.963 1.00 0.00 N ATOM 0 H ASN A 29 8.304 -9.477 -1.959 1.00 0.00 H new ATOM 0 HA ASN A 29 9.243 -9.572 0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.076 -10.715 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.113 -9.309 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.734 -10.544 1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.232 -9.051 0.859 1.00 0.00 H new ATOM 476 N GLU A 30 10.099 -7.228 1.029 1.00 0.00 N ATOM 477 CA GLU A 30 10.406 -5.767 1.102 1.00 0.00 C ATOM 478 C GLU A 30 11.326 -5.367 -0.050 1.00 0.00 C ATOM 479 O GLU A 30 11.277 -4.258 -0.535 1.00 0.00 O ATOM 480 CB GLU A 30 11.111 -5.555 2.440 1.00 0.00 C ATOM 481 CG GLU A 30 11.484 -4.076 2.581 1.00 0.00 C ATOM 482 CD GLU A 30 11.781 -3.759 4.047 1.00 0.00 C ATOM 483 OE1 GLU A 30 12.844 -4.138 4.512 1.00 0.00 O ATOM 484 OE2 GLU A 30 10.939 -3.144 4.682 1.00 0.00 O ATOM 0 H GLU A 30 10.253 -7.750 1.892 1.00 0.00 H new ATOM 0 HA GLU A 30 9.503 -5.161 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.460 -5.859 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.005 -6.175 2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.355 -3.850 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.668 -3.449 2.221 1.00 0.00 H new ATOM 491 N ASN A 31 12.158 -6.268 -0.505 1.00 0.00 N ATOM 492 CA ASN A 31 13.062 -5.927 -1.641 1.00 0.00 C ATOM 493 C ASN A 31 12.219 -5.400 -2.804 1.00 0.00 C ATOM 494 O ASN A 31 12.503 -4.368 -3.382 1.00 0.00 O ATOM 495 CB ASN A 31 13.744 -7.241 -2.022 1.00 0.00 C ATOM 496 CG ASN A 31 14.423 -7.846 -0.792 1.00 0.00 C ATOM 497 OD1 ASN A 31 14.570 -7.190 0.220 1.00 0.00 O ATOM 498 ND2 ASN A 31 14.847 -9.079 -0.838 1.00 0.00 N ATOM 0 H ASN A 31 12.250 -7.217 -0.142 1.00 0.00 H new ATOM 0 HA ASN A 31 13.794 -5.161 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.010 -7.939 -2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.480 -7.065 -2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.302 -9.493 -0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.723 -9.629 -1.688 1.00 0.00 H new ATOM 505 N MET A 32 11.164 -6.098 -3.128 1.00 0.00 N ATOM 506 CA MET A 32 10.280 -5.638 -4.230 1.00 0.00 C ATOM 507 C MET A 32 9.607 -4.327 -3.824 1.00 0.00 C ATOM 508 O MET A 32 9.461 -3.424 -4.624 1.00 0.00 O ATOM 509 CB MET A 32 9.241 -6.746 -4.399 1.00 0.00 C ATOM 510 CG MET A 32 9.610 -7.608 -5.607 1.00 0.00 C ATOM 511 SD MET A 32 10.223 -9.215 -5.041 1.00 0.00 S ATOM 512 CE MET A 32 10.690 -9.861 -6.665 1.00 0.00 C ATOM 0 H MET A 32 10.879 -6.966 -2.676 1.00 0.00 H new ATOM 0 HA MET A 32 10.823 -5.455 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.198 -7.360 -3.499 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.250 -6.313 -4.536 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.739 -7.745 -6.249 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.371 -7.107 -6.205 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.305 -10.752 -6.539 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.792 -10.116 -7.227 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.255 -9.104 -7.209 1.00 0.00 H new ATOM 522 N ILE A 33 9.205 -4.207 -2.585 1.00 0.00 N ATOM 523 CA ILE A 33 8.559 -2.939 -2.150 1.00 0.00 C ATOM 524 C ILE A 33 9.595 -1.823 -2.102 1.00 0.00 C ATOM 525 O ILE A 33 9.295 -0.683 -2.363 1.00 0.00 O ATOM 526 CB ILE A 33 7.992 -3.186 -0.757 1.00 0.00 C ATOM 527 CG1 ILE A 33 6.907 -4.260 -0.835 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.384 -1.876 -0.237 1.00 0.00 C ATOM 529 CD1 ILE A 33 6.339 -4.509 0.559 1.00 0.00 C ATOM 0 H ILE A 33 9.296 -4.924 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 33 7.772 -2.640 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 33 8.781 -3.522 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.114 -3.942 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.322 -5.183 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.973 -2.036 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.157 -1.109 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.589 -1.552 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.565 -5.275 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.136 -4.845 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.909 -3.586 0.947 1.00 0.00 H new ATOM 541 N LYS A 34 10.821 -2.133 -1.774 1.00 0.00 N ATOM 542 CA LYS A 34 11.861 -1.065 -1.732 1.00 0.00 C ATOM 543 C LYS A 34 11.855 -0.334 -3.075 1.00 0.00 C ATOM 544 O LYS A 34 11.912 0.879 -3.150 1.00 0.00 O ATOM 545 CB LYS A 34 13.186 -1.794 -1.517 1.00 0.00 C ATOM 546 CG LYS A 34 13.381 -2.067 -0.025 1.00 0.00 C ATOM 547 CD LYS A 34 14.572 -1.257 0.491 1.00 0.00 C ATOM 548 CE LYS A 34 14.515 -1.182 2.019 1.00 0.00 C ATOM 549 NZ LYS A 34 14.322 0.263 2.326 1.00 0.00 N ATOM 0 H LYS A 34 11.145 -3.070 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 34 11.690 -0.330 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.192 -2.731 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.011 -1.192 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.479 -1.799 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.551 -3.131 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.506 -1.721 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.554 -0.253 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.695 -1.782 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.433 -1.562 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.273 0.395 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.121 0.809 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.437 0.595 1.892 1.00 0.00 H new ATOM 563 N GLN A 35 11.752 -1.085 -4.136 1.00 0.00 N ATOM 564 CA GLN A 35 11.701 -0.474 -5.488 1.00 0.00 C ATOM 565 C GLN A 35 10.323 0.163 -5.697 1.00 0.00 C ATOM 566 O GLN A 35 10.208 1.334 -5.998 1.00 0.00 O ATOM 567 CB GLN A 35 11.917 -1.645 -6.448 1.00 0.00 C ATOM 568 CG GLN A 35 13.246 -1.468 -7.184 1.00 0.00 C ATOM 569 CD GLN A 35 14.035 -2.778 -7.137 1.00 0.00 C ATOM 570 OE1 GLN A 35 15.237 -2.771 -6.961 1.00 0.00 O ATOM 571 NE2 GLN A 35 13.404 -3.912 -7.289 1.00 0.00 N ATOM 0 H GLN A 35 11.701 -2.104 -4.121 1.00 0.00 H new ATOM 0 HA GLN A 35 12.445 0.309 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.918 -2.585 -5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.097 -1.697 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.065 -1.177 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.824 -0.666 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.395 -3.918 -7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.921 -4.791 -7.260 1.00 0.00 H new ATOM 580 N ILE A 36 9.275 -0.598 -5.507 1.00 0.00 N ATOM 581 CA ILE A 36 7.898 -0.037 -5.664 1.00 0.00 C ATOM 582 C ILE A 36 7.767 1.215 -4.805 1.00 0.00 C ATOM 583 O ILE A 36 7.124 2.171 -5.168 1.00 0.00 O ATOM 584 CB ILE A 36 6.966 -1.129 -5.142 1.00 0.00 C ATOM 585 CG1 ILE A 36 7.065 -2.350 -6.049 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.517 -0.628 -5.137 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.288 -3.503 -5.427 1.00 0.00 C ATOM 0 H ILE A 36 9.313 -1.584 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 36 7.669 0.237 -6.694 1.00 0.00 H new ATOM 0 HB ILE A 36 7.260 -1.391 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.665 -2.118 -7.036 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.109 -2.632 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.861 -1.414 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.437 0.248 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.221 -0.361 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.356 -4.378 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.708 -3.740 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.242 -3.217 -5.313 1.00 0.00 H new ATOM 599 N ASP A 37 8.378 1.196 -3.660 1.00 0.00 N ATOM 600 CA ASP A 37 8.307 2.355 -2.734 1.00 0.00 C ATOM 601 C ASP A 37 8.768 3.635 -3.438 1.00 0.00 C ATOM 602 O ASP A 37 8.104 4.650 -3.405 1.00 0.00 O ATOM 603 CB ASP A 37 9.266 2.004 -1.597 1.00 0.00 C ATOM 604 CG ASP A 37 9.308 3.157 -0.594 1.00 0.00 C ATOM 605 OD1 ASP A 37 8.352 3.914 -0.550 1.00 0.00 O ATOM 606 OD2 ASP A 37 10.297 3.265 0.111 1.00 0.00 O ATOM 0 H ASP A 37 8.934 0.412 -3.319 1.00 0.00 H new ATOM 0 HA ASP A 37 7.292 2.536 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.941 1.089 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.264 1.816 -1.993 1.00 0.00 H new ATOM 611 N ASP A 38 9.916 3.592 -4.063 1.00 0.00 N ATOM 612 CA ASP A 38 10.440 4.808 -4.757 1.00 0.00 C ATOM 613 C ASP A 38 9.714 5.043 -6.088 1.00 0.00 C ATOM 614 O ASP A 38 9.520 6.167 -6.506 1.00 0.00 O ATOM 615 CB ASP A 38 11.920 4.508 -5.006 1.00 0.00 C ATOM 616 CG ASP A 38 12.759 5.768 -4.764 1.00 0.00 C ATOM 617 OD1 ASP A 38 12.181 6.798 -4.458 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.970 5.680 -4.888 1.00 0.00 O ATOM 0 H ASP A 38 10.514 2.768 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 38 10.289 5.709 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.253 3.707 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.061 4.158 -6.029 1.00 0.00 H new ATOM 623 N THR A 39 9.318 3.997 -6.763 1.00 0.00 N ATOM 624 CA THR A 39 8.618 4.182 -8.072 1.00 0.00 C ATOM 625 C THR A 39 7.128 4.465 -7.850 1.00 0.00 C ATOM 626 O THR A 39 6.476 5.075 -8.676 1.00 0.00 O ATOM 627 CB THR A 39 8.847 2.878 -8.830 1.00 0.00 C ATOM 628 OG1 THR A 39 10.245 2.637 -8.916 1.00 0.00 O ATOM 629 CG2 THR A 39 8.274 2.991 -10.240 1.00 0.00 C ATOM 0 H THR A 39 9.447 3.029 -6.469 1.00 0.00 H new ATOM 0 HA THR A 39 8.998 5.035 -8.634 1.00 0.00 H new ATOM 0 HB THR A 39 8.354 2.060 -8.305 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.401 1.756 -9.316 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.441 2.057 -10.776 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.204 3.191 -10.183 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.768 3.806 -10.769 1.00 0.00 H new ATOM 637 N LEU A 40 6.589 4.055 -6.735 1.00 0.00 N ATOM 638 CA LEU A 40 5.148 4.332 -6.460 1.00 0.00 C ATOM 639 C LEU A 40 5.013 5.726 -5.846 1.00 0.00 C ATOM 640 O LEU A 40 4.194 6.524 -6.256 1.00 0.00 O ATOM 641 CB LEU A 40 4.711 3.263 -5.452 1.00 0.00 C ATOM 642 CG LEU A 40 3.302 3.573 -4.948 1.00 0.00 C ATOM 643 CD1 LEU A 40 2.611 2.277 -4.525 1.00 0.00 C ATOM 644 CD2 LEU A 40 3.397 4.510 -3.743 1.00 0.00 C ATOM 0 H LEU A 40 7.081 3.542 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 40 4.537 4.302 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.732 2.279 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.408 3.233 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 40 2.726 4.047 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.606 2.501 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.549 1.602 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.184 1.803 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.395 4.736 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.972 4.028 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.892 5.435 -4.039 1.00 0.00 H new ATOM 656 N GLU A 41 5.814 6.017 -4.859 1.00 0.00 N ATOM 657 CA GLU A 41 5.746 7.353 -4.205 1.00 0.00 C ATOM 658 C GLU A 41 5.956 8.457 -5.246 1.00 0.00 C ATOM 659 O GLU A 41 5.329 9.496 -5.198 1.00 0.00 O ATOM 660 CB GLU A 41 6.884 7.339 -3.183 1.00 0.00 C ATOM 661 CG GLU A 41 6.992 8.709 -2.509 1.00 0.00 C ATOM 662 CD GLU A 41 8.364 8.844 -1.848 1.00 0.00 C ATOM 663 OE1 GLU A 41 9.353 8.661 -2.539 1.00 0.00 O ATOM 664 OE2 GLU A 41 8.404 9.129 -0.662 1.00 0.00 O ATOM 0 H GLU A 41 6.516 5.384 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 41 4.781 7.546 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.703 6.568 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.824 7.090 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.851 9.501 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.205 8.823 -1.764 1.00 0.00 H new ATOM 671 N ASN A 42 6.833 8.237 -6.189 1.00 0.00 N ATOM 672 CA ASN A 42 7.081 9.273 -7.232 1.00 0.00 C ATOM 673 C ASN A 42 5.862 9.407 -8.153 1.00 0.00 C ATOM 674 O ASN A 42 5.447 10.499 -8.489 1.00 0.00 O ATOM 675 CB ASN A 42 8.291 8.763 -8.016 1.00 0.00 C ATOM 676 CG ASN A 42 9.563 9.432 -7.491 1.00 0.00 C ATOM 677 OD1 ASN A 42 9.538 10.103 -6.479 1.00 0.00 O ATOM 678 ND2 ASN A 42 10.683 9.277 -8.143 1.00 0.00 N ATOM 0 H ASN A 42 7.387 7.386 -6.282 1.00 0.00 H new ATOM 0 HA ASN A 42 7.259 10.258 -6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.371 7.680 -7.918 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.166 8.978 -9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.537 9.719 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.705 8.714 -8.993 1.00 0.00 H new ATOM 685 N ARG A 43 5.288 8.309 -8.569 1.00 0.00 N ATOM 686 CA ARG A 43 4.100 8.389 -9.472 1.00 0.00 C ATOM 687 C ARG A 43 2.802 8.279 -8.663 1.00 0.00 C ATOM 688 O ARG A 43 2.822 8.115 -7.460 1.00 0.00 O ATOM 689 CB ARG A 43 4.244 7.198 -10.420 1.00 0.00 C ATOM 690 CG ARG A 43 4.618 7.699 -11.816 1.00 0.00 C ATOM 691 CD ARG A 43 4.047 6.749 -12.870 1.00 0.00 C ATOM 692 NE ARG A 43 5.009 6.816 -14.004 1.00 0.00 N ATOM 693 CZ ARG A 43 4.595 6.604 -15.222 1.00 0.00 C ATOM 694 NH1 ARG A 43 3.545 7.233 -15.672 1.00 0.00 N ATOM 695 NH2 ARG A 43 5.233 5.765 -15.989 1.00 0.00 N ATOM 0 H ARG A 43 5.587 7.365 -8.325 1.00 0.00 H new ATOM 0 HA ARG A 43 4.055 9.337 -10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.009 6.516 -10.050 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.310 6.638 -10.461 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.228 8.705 -11.969 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.702 7.759 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.962 5.734 -12.483 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.048 7.056 -13.180 1.00 0.00 H new ATOM 0 HE ARG A 43 5.991 7.028 -13.828 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.048 7.891 -15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.221 7.067 -16.625 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.055 5.275 -15.636 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.910 5.598 -16.942 1.00 0.00 H new ATOM 709 N GLU A 44 1.674 8.366 -9.317 1.00 0.00 N ATOM 710 CA GLU A 44 0.375 8.264 -8.587 1.00 0.00 C ATOM 711 C GLU A 44 -0.242 6.880 -8.807 1.00 0.00 C ATOM 712 O GLU A 44 -0.681 6.230 -7.879 1.00 0.00 O ATOM 713 CB GLU A 44 -0.513 9.349 -9.199 1.00 0.00 C ATOM 714 CG GLU A 44 -0.437 10.615 -8.343 1.00 0.00 C ATOM 715 CD GLU A 44 0.339 11.696 -9.098 1.00 0.00 C ATOM 716 OE1 GLU A 44 -0.245 12.319 -9.969 1.00 0.00 O ATOM 717 OE2 GLU A 44 1.506 11.884 -8.792 1.00 0.00 O ATOM 0 H GLU A 44 1.595 8.503 -10.325 1.00 0.00 H new ATOM 0 HA GLU A 44 0.493 8.396 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.190 9.566 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.544 8.999 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.441 10.969 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.053 10.396 -7.394 1.00 0.00 H new ATOM 724 N LEU A 45 -0.271 6.422 -10.028 1.00 0.00 N ATOM 725 CA LEU A 45 -0.853 5.078 -10.311 1.00 0.00 C ATOM 726 C LEU A 45 0.257 4.098 -10.670 1.00 0.00 C ATOM 727 O LEU A 45 1.051 4.342 -11.557 1.00 0.00 O ATOM 728 CB LEU A 45 -1.781 5.284 -11.504 1.00 0.00 C ATOM 729 CG LEU A 45 -2.446 3.955 -11.891 1.00 0.00 C ATOM 730 CD1 LEU A 45 -3.146 3.342 -10.682 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.485 4.226 -12.976 1.00 0.00 C ATOM 0 H LEU A 45 0.084 6.921 -10.844 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.383 4.670 -9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.544 6.023 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.217 5.677 -12.350 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.684 3.264 -12.251 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.613 2.400 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.416 3.158 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.910 4.029 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.966 3.290 -13.261 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.236 4.919 -12.596 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.996 4.663 -13.847 1.00 0.00 H new ATOM 743 N ILE A 46 0.319 2.988 -9.996 1.00 0.00 N ATOM 744 CA ILE A 46 1.380 1.997 -10.312 1.00 0.00 C ATOM 745 C ILE A 46 0.793 0.588 -10.374 1.00 0.00 C ATOM 746 O ILE A 46 0.141 0.128 -9.459 1.00 0.00 O ATOM 747 CB ILE A 46 2.441 2.102 -9.194 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.797 2.277 -7.802 1.00 0.00 C ATOM 749 CG2 ILE A 46 3.353 3.298 -9.475 1.00 0.00 C ATOM 750 CD1 ILE A 46 1.365 0.915 -7.252 1.00 0.00 C ATOM 0 H ILE A 46 -0.316 2.724 -9.243 1.00 0.00 H new ATOM 0 HA ILE A 46 1.827 2.201 -11.285 1.00 0.00 H new ATOM 0 HB ILE A 46 3.011 1.173 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.506 2.746 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.935 2.941 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.103 3.376 -8.688 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.848 3.160 -10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.758 4.211 -9.501 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.912 1.047 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.640 0.463 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.236 0.265 -7.166 1.00 0.00 H new ATOM 762 N LYS A 47 1.030 -0.108 -11.446 1.00 0.00 N ATOM 763 CA LYS A 47 0.505 -1.494 -11.556 1.00 0.00 C ATOM 764 C LYS A 47 1.559 -2.440 -10.976 1.00 0.00 C ATOM 765 O LYS A 47 2.739 -2.234 -11.168 1.00 0.00 O ATOM 766 CB LYS A 47 0.312 -1.789 -13.052 1.00 0.00 C ATOM 767 CG LYS A 47 -0.342 -0.612 -13.778 1.00 0.00 C ATOM 768 CD LYS A 47 -0.151 -0.809 -15.283 1.00 0.00 C ATOM 769 CE LYS A 47 -0.862 -2.091 -15.726 1.00 0.00 C ATOM 770 NZ LYS A 47 -1.032 -1.949 -17.199 1.00 0.00 N ATOM 0 H LYS A 47 1.564 0.222 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.437 -1.620 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.278 -2.007 -13.508 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.305 -2.679 -13.171 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.403 -0.558 -13.534 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.107 0.328 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.551 0.047 -15.826 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.911 -0.869 -15.521 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.272 -2.974 -15.480 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.825 -2.201 -15.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.273 -2.873 -17.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.796 -1.272 -17.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.146 -1.603 -17.619 1.00 0.00 H new ATOM 784 N VAL A 48 1.179 -3.446 -10.243 1.00 0.00 N ATOM 785 CA VAL A 48 2.207 -4.341 -9.673 1.00 0.00 C ATOM 786 C VAL A 48 1.921 -5.798 -10.071 1.00 0.00 C ATOM 787 O VAL A 48 0.833 -6.297 -9.884 1.00 0.00 O ATOM 788 CB VAL A 48 2.076 -4.118 -8.168 1.00 0.00 C ATOM 789 CG1 VAL A 48 2.802 -5.222 -7.418 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.685 -2.762 -7.801 1.00 0.00 C ATOM 0 H VAL A 48 0.212 -3.682 -10.018 1.00 0.00 H new ATOM 0 HA VAL A 48 3.217 -4.136 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 48 1.022 -4.132 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.705 -5.057 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.366 -6.186 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.857 -5.215 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.593 -2.600 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.738 -2.749 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.158 -1.970 -8.334 1.00 0.00 H new ATOM 800 N HIS A 49 2.893 -6.477 -10.620 1.00 0.00 N ATOM 801 CA HIS A 49 2.676 -7.896 -11.039 1.00 0.00 C ATOM 802 C HIS A 49 2.980 -8.854 -9.882 1.00 0.00 C ATOM 803 O HIS A 49 4.067 -8.862 -9.342 1.00 0.00 O ATOM 804 CB HIS A 49 3.661 -8.117 -12.188 1.00 0.00 C ATOM 805 CG HIS A 49 3.472 -9.496 -12.758 1.00 0.00 C ATOM 806 ND1 HIS A 49 2.346 -10.203 -13.096 1.00 0.00 N flip ATOM 807 CD2 HIS A 49 4.542 -10.326 -13.051 1.00 0.00 C flip ATOM 808 CE1 HIS A 49 2.707 -11.453 -13.589 1.00 0.00 C flip ATOM 809 NE2 HIS A 49 4.041 -11.476 -13.540 1.00 0.00 N flip ATOM 0 H HIS A 49 3.829 -6.112 -10.797 1.00 0.00 H new ATOM 0 HA HIS A 49 1.644 -8.083 -11.336 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.504 -7.368 -12.964 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.684 -7.997 -11.831 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.389 -9.864 -13.000 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.587 -10.093 -12.912 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.050 -12.236 -13.937 1.00 0.00 H new ATOM 817 N VAL A 50 2.023 -9.662 -9.503 1.00 0.00 N ATOM 818 CA VAL A 50 2.246 -10.625 -8.380 1.00 0.00 C ATOM 819 C VAL A 50 2.477 -12.029 -8.920 1.00 0.00 C ATOM 820 O VAL A 50 1.793 -12.500 -9.806 1.00 0.00 O ATOM 821 CB VAL A 50 0.969 -10.546 -7.537 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.934 -11.686 -6.517 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.939 -9.207 -6.796 1.00 0.00 C ATOM 0 H VAL A 50 1.094 -9.697 -9.923 1.00 0.00 H new ATOM 0 HA VAL A 50 3.130 -10.383 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 50 0.104 -10.632 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.021 -11.617 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.956 -12.642 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.800 -11.612 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.032 -9.144 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.811 -9.131 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.952 -8.391 -7.519 1.00 0.00 H new ATOM 833 N LEU A 51 3.472 -12.683 -8.396 1.00 0.00 N ATOM 834 CA LEU A 51 3.807 -14.042 -8.870 1.00 0.00 C ATOM 835 C LEU A 51 3.003 -15.132 -8.150 1.00 0.00 C ATOM 836 O LEU A 51 3.496 -16.221 -7.925 1.00 0.00 O ATOM 837 CB LEU A 51 5.283 -14.188 -8.555 1.00 0.00 C ATOM 838 CG LEU A 51 6.098 -14.073 -9.844 1.00 0.00 C ATOM 839 CD1 LEU A 51 5.671 -15.175 -10.816 1.00 0.00 C ATOM 840 CD2 LEU A 51 5.847 -12.706 -10.488 1.00 0.00 C ATOM 0 H LEU A 51 4.071 -12.326 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 51 3.571 -14.161 -9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.592 -13.418 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.470 -15.151 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 51 7.158 -14.178 -9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.251 -15.094 -11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.846 -16.150 -10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.611 -15.067 -11.045 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.428 -12.624 -11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.787 -12.602 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.147 -11.918 -9.798 1.00 0.00 H new ATOM 852 N GLN A 52 1.777 -14.870 -7.796 1.00 0.00 N ATOM 853 CA GLN A 52 0.968 -15.918 -7.107 1.00 0.00 C ATOM 854 C GLN A 52 0.099 -16.660 -8.128 1.00 0.00 C ATOM 855 O GLN A 52 -0.255 -17.808 -7.943 1.00 0.00 O ATOM 856 CB GLN A 52 0.100 -15.163 -6.099 1.00 0.00 C ATOM 857 CG GLN A 52 0.115 -15.900 -4.757 1.00 0.00 C ATOM 858 CD GLN A 52 1.537 -15.913 -4.196 1.00 0.00 C ATOM 859 OE1 GLN A 52 2.451 -15.396 -4.809 1.00 0.00 O ATOM 860 NE2 GLN A 52 1.767 -16.489 -3.047 1.00 0.00 N ATOM 0 H GLN A 52 1.300 -13.982 -7.952 1.00 0.00 H new ATOM 0 HA GLN A 52 1.590 -16.665 -6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.473 -14.147 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.922 -15.084 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.560 -15.411 -4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.245 -16.921 -4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.001 -16.923 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.713 -16.505 -2.665 1.00 0.00 H new ATOM 869 N ASN A 53 -0.239 -16.012 -9.209 1.00 0.00 N ATOM 870 CA ASN A 53 -1.078 -16.669 -10.256 1.00 0.00 C ATOM 871 C ASN A 53 -2.316 -17.321 -9.632 1.00 0.00 C ATOM 872 O ASN A 53 -2.822 -18.310 -10.125 1.00 0.00 O ATOM 873 CB ASN A 53 -0.172 -17.727 -10.885 1.00 0.00 C ATOM 874 CG ASN A 53 0.091 -17.366 -12.349 1.00 0.00 C ATOM 875 OD1 ASN A 53 -0.801 -16.930 -13.048 1.00 0.00 O ATOM 876 ND2 ASN A 53 1.286 -17.533 -12.845 1.00 0.00 N ATOM 0 H ASN A 53 0.031 -15.050 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.444 -15.953 -10.992 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.769 -17.787 -10.339 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.641 -18.709 -10.820 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.471 -17.297 -13.820 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.035 -17.899 -12.258 1.00 0.00 H new ATOM 883 N ASN A 54 -2.811 -16.776 -8.554 1.00 0.00 N ATOM 884 CA ASN A 54 -4.021 -17.364 -7.909 1.00 0.00 C ATOM 885 C ASN A 54 -5.117 -16.302 -7.785 1.00 0.00 C ATOM 886 O ASN A 54 -4.861 -15.120 -7.880 1.00 0.00 O ATOM 887 CB ASN A 54 -3.564 -17.815 -6.526 1.00 0.00 C ATOM 888 CG ASN A 54 -3.764 -19.325 -6.387 1.00 0.00 C ATOM 889 OD1 ASN A 54 -2.819 -20.086 -6.464 1.00 0.00 O ATOM 890 ND2 ASN A 54 -4.965 -19.794 -6.184 1.00 0.00 N ATOM 0 H ASN A 54 -2.431 -15.950 -8.092 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.433 -18.190 -8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.514 -17.562 -6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.130 -17.291 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.111 -20.799 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.758 -19.155 -6.119 1.00 0.00 H new ATOM 897 N PHE A 55 -6.338 -16.709 -7.583 1.00 0.00 N ATOM 898 CA PHE A 55 -7.440 -15.711 -7.464 1.00 0.00 C ATOM 899 C PHE A 55 -7.472 -15.093 -6.060 1.00 0.00 C ATOM 900 O PHE A 55 -7.225 -13.914 -5.889 1.00 0.00 O ATOM 901 CB PHE A 55 -8.723 -16.498 -7.737 1.00 0.00 C ATOM 902 CG PHE A 55 -9.423 -15.912 -8.940 1.00 0.00 C ATOM 903 CD1 PHE A 55 -8.788 -15.909 -10.187 1.00 0.00 C ATOM 904 CD2 PHE A 55 -10.706 -15.367 -8.808 1.00 0.00 C ATOM 905 CE1 PHE A 55 -9.435 -15.362 -11.303 1.00 0.00 C ATOM 906 CE2 PHE A 55 -11.354 -14.821 -9.923 1.00 0.00 C ATOM 907 CZ PHE A 55 -10.718 -14.818 -11.171 1.00 0.00 C ATOM 0 H PHE A 55 -6.622 -17.685 -7.495 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.312 -14.883 -8.161 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.488 -17.548 -7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.378 -16.460 -6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.798 -16.329 -10.289 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.196 -15.368 -7.846 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.944 -15.360 -12.265 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.344 -14.402 -9.821 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.217 -14.396 -12.031 1.00 0.00 H new ATOM 917 N ASP A 56 -7.788 -15.867 -5.054 1.00 0.00 N ATOM 918 CA ASP A 56 -7.849 -15.295 -3.673 1.00 0.00 C ATOM 919 C ASP A 56 -6.461 -15.186 -3.047 1.00 0.00 C ATOM 920 O ASP A 56 -6.269 -14.526 -2.045 1.00 0.00 O ATOM 921 CB ASP A 56 -8.730 -16.256 -2.875 1.00 0.00 C ATOM 922 CG ASP A 56 -8.076 -17.638 -2.836 1.00 0.00 C ATOM 923 OD1 ASP A 56 -8.157 -18.339 -3.832 1.00 0.00 O ATOM 924 OD2 ASP A 56 -7.506 -17.974 -1.811 1.00 0.00 O ATOM 0 H ASP A 56 -8.005 -16.861 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.252 -14.282 -3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.871 -15.880 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.718 -16.323 -3.330 1.00 0.00 H new ATOM 929 N ASP A 57 -5.498 -15.808 -3.636 1.00 0.00 N ATOM 930 CA ASP A 57 -4.115 -15.729 -3.083 1.00 0.00 C ATOM 931 C ASP A 57 -3.406 -14.502 -3.657 1.00 0.00 C ATOM 932 O ASP A 57 -2.697 -13.799 -2.964 1.00 0.00 O ATOM 933 CB ASP A 57 -3.422 -17.016 -3.530 1.00 0.00 C ATOM 934 CG ASP A 57 -2.613 -17.595 -2.370 1.00 0.00 C ATOM 935 OD1 ASP A 57 -3.138 -17.638 -1.270 1.00 0.00 O ATOM 936 OD2 ASP A 57 -1.482 -17.988 -2.602 1.00 0.00 O ATOM 0 H ASP A 57 -5.598 -16.372 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.104 -15.632 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.163 -17.741 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.767 -16.812 -4.377 1.00 0.00 H new ATOM 941 N LYS A 58 -3.607 -14.230 -4.918 1.00 0.00 N ATOM 942 CA LYS A 58 -2.960 -13.039 -5.534 1.00 0.00 C ATOM 943 C LYS A 58 -3.497 -11.773 -4.864 1.00 0.00 C ATOM 944 O LYS A 58 -2.749 -10.903 -4.461 1.00 0.00 O ATOM 945 CB LYS A 58 -3.370 -13.098 -7.004 1.00 0.00 C ATOM 946 CG LYS A 58 -2.735 -11.937 -7.774 1.00 0.00 C ATOM 947 CD LYS A 58 -3.515 -11.691 -9.073 1.00 0.00 C ATOM 948 CE LYS A 58 -3.591 -12.985 -9.895 1.00 0.00 C ATOM 949 NZ LYS A 58 -5.041 -13.181 -10.170 1.00 0.00 N ATOM 0 H LYS A 58 -4.191 -14.781 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.876 -13.028 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.057 -14.047 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.456 -13.050 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.738 -11.036 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.694 -12.165 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.520 -11.338 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.029 -10.909 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.022 -12.899 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.176 -13.828 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.157 -13.779 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.490 -13.643 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.491 -12.258 -10.336 1.00 0.00 H new ATOM 963 N LYS A 59 -4.792 -11.673 -4.724 1.00 0.00 N ATOM 964 CA LYS A 59 -5.372 -10.473 -4.060 1.00 0.00 C ATOM 965 C LYS A 59 -4.831 -10.372 -2.631 1.00 0.00 C ATOM 966 O LYS A 59 -4.481 -9.306 -2.165 1.00 0.00 O ATOM 967 CB LYS A 59 -6.882 -10.711 -4.060 1.00 0.00 C ATOM 968 CG LYS A 59 -7.595 -9.510 -3.432 1.00 0.00 C ATOM 969 CD LYS A 59 -9.108 -9.678 -3.586 1.00 0.00 C ATOM 970 CE LYS A 59 -9.815 -8.394 -3.147 1.00 0.00 C ATOM 971 NZ LYS A 59 -11.178 -8.481 -3.742 1.00 0.00 N ATOM 0 H LYS A 59 -5.469 -12.367 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.117 -9.542 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.236 -10.863 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.117 -11.618 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.333 -9.429 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.270 -8.588 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.355 -9.905 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.454 -10.519 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.863 -8.322 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.285 -7.510 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.724 -7.634 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.102 -8.542 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.661 -9.328 -3.380 1.00 0.00 H new ATOM 985 N GLU A 60 -4.739 -11.478 -1.934 1.00 0.00 N ATOM 986 CA GLU A 60 -4.200 -11.437 -0.543 1.00 0.00 C ATOM 987 C GLU A 60 -2.822 -10.767 -0.551 1.00 0.00 C ATOM 988 O GLU A 60 -2.494 -9.977 0.315 1.00 0.00 O ATOM 989 CB GLU A 60 -4.085 -12.901 -0.109 1.00 0.00 C ATOM 990 CG GLU A 60 -3.757 -12.965 1.386 1.00 0.00 C ATOM 991 CD GLU A 60 -2.720 -14.062 1.650 1.00 0.00 C ATOM 992 OE1 GLU A 60 -2.058 -14.470 0.711 1.00 0.00 O ATOM 993 OE2 GLU A 60 -2.605 -14.475 2.793 1.00 0.00 O ATOM 0 H GLU A 60 -5.013 -12.402 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.837 -10.870 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.019 -13.426 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.307 -13.402 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.374 -12.002 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.664 -13.165 1.957 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.013 -11.058 -1.536 1.00 0.00 N ATOM 1001 CA LEU A 61 -0.673 -10.411 -1.593 1.00 0.00 C ATOM 1002 C LEU A 61 -0.863 -8.893 -1.572 1.00 0.00 C ATOM 1003 O LEU A 61 -0.160 -8.177 -0.885 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.048 -10.871 -2.912 1.00 0.00 C ATOM 1005 CG LEU A 61 1.027 -11.924 -2.627 1.00 0.00 C ATOM 1006 CD1 LEU A 61 0.517 -13.303 -3.045 1.00 0.00 C ATOM 1007 CD2 LEU A 61 2.298 -11.595 -3.415 1.00 0.00 C ATOM 0 H LEU A 61 -2.220 -11.708 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.033 -10.678 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.815 -11.287 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.390 -10.021 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 61 1.252 -11.924 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.283 -14.051 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.384 -13.544 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.288 -13.299 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.059 -12.347 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.074 -11.589 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.667 -10.614 -3.117 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.829 -8.396 -2.298 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.067 -6.927 -2.286 1.00 0.00 C ATOM 1021 C ALA A 62 -2.370 -6.474 -0.863 1.00 0.00 C ATOM 1022 O ALA A 62 -1.916 -5.441 -0.430 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.275 -6.683 -3.178 1.00 0.00 C ATOM 0 H ALA A 62 -2.456 -8.938 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.197 -6.374 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.497 -5.616 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.060 -7.036 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.135 -7.222 -2.781 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.124 -7.245 -0.119 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.429 -6.843 1.288 1.00 0.00 C ATOM 1031 C GLU A 63 -2.132 -6.481 1.996 1.00 0.00 C ATOM 1032 O GLU A 63 -2.071 -5.608 2.841 1.00 0.00 O ATOM 1033 CB GLU A 63 -4.085 -8.068 1.931 1.00 0.00 C ATOM 1034 CG GLU A 63 -5.520 -7.733 2.335 1.00 0.00 C ATOM 1035 CD GLU A 63 -6.434 -7.843 1.114 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -6.205 -8.729 0.307 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -7.345 -7.040 1.007 1.00 0.00 O ATOM 0 H GLU A 63 -3.538 -8.127 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.085 -5.975 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.080 -8.904 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.515 -8.381 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.857 -8.414 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.567 -6.725 2.748 1.00 0.00 H new ATOM 1044 N THR A 64 -1.097 -7.141 1.609 1.00 0.00 N ATOM 1045 CA THR A 64 0.245 -6.867 2.191 1.00 0.00 C ATOM 1046 C THR A 64 0.878 -5.667 1.479 1.00 0.00 C ATOM 1047 O THR A 64 1.582 -4.878 2.077 1.00 0.00 O ATOM 1048 CB THR A 64 1.059 -8.138 1.935 1.00 0.00 C ATOM 1049 OG1 THR A 64 0.418 -9.241 2.560 1.00 0.00 O ATOM 1050 CG2 THR A 64 2.466 -7.971 2.509 1.00 0.00 C ATOM 0 H THR A 64 -1.114 -7.875 0.901 1.00 0.00 H new ATOM 0 HA THR A 64 0.200 -6.627 3.253 1.00 0.00 H new ATOM 0 HB THR A 64 1.127 -8.316 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.936 -10.056 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.044 -8.877 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.957 -7.124 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.402 -7.792 3.582 1.00 0.00 H new ATOM 1058 N LEU A 65 0.625 -5.517 0.203 1.00 0.00 N ATOM 1059 CA LEU A 65 1.208 -4.362 -0.541 1.00 0.00 C ATOM 1060 C LEU A 65 0.371 -3.106 -0.294 1.00 0.00 C ATOM 1061 O LEU A 65 0.881 -2.075 0.096 1.00 0.00 O ATOM 1062 CB LEU A 65 1.135 -4.756 -2.012 1.00 0.00 C ATOM 1063 CG LEU A 65 2.249 -5.750 -2.331 1.00 0.00 C ATOM 1064 CD1 LEU A 65 1.955 -6.425 -3.667 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.581 -5.007 -2.420 1.00 0.00 C ATOM 0 H LEU A 65 0.042 -6.143 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 65 2.228 -4.144 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.164 -5.199 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.232 -3.871 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 65 2.304 -6.503 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.749 -7.136 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.003 -6.952 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.903 -5.671 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.378 -5.715 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.527 -4.256 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.790 -4.519 -1.468 1.00 0.00 H new ATOM 1077 N SER A 66 -0.915 -3.188 -0.507 1.00 0.00 N ATOM 1078 CA SER A 66 -1.781 -1.999 -0.270 1.00 0.00 C ATOM 1079 C SER A 66 -1.574 -1.476 1.154 1.00 0.00 C ATOM 1080 O SER A 66 -1.580 -0.285 1.394 1.00 0.00 O ATOM 1081 CB SER A 66 -3.210 -2.510 -0.456 1.00 0.00 C ATOM 1082 OG SER A 66 -3.343 -3.071 -1.754 1.00 0.00 O ATOM 0 H SER A 66 -1.401 -4.023 -0.833 1.00 0.00 H new ATOM 0 HA SER A 66 -1.554 -1.175 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.442 -3.258 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.920 -1.693 -0.326 1.00 0.00 H new ATOM 0 HG SER A 66 -3.748 -3.961 -1.686 1.00 0.00 H new ATOM 1088 N GLU A 67 -1.390 -2.357 2.104 1.00 0.00 N ATOM 1089 CA GLU A 67 -1.184 -1.903 3.510 1.00 0.00 C ATOM 1090 C GLU A 67 0.239 -1.368 3.702 1.00 0.00 C ATOM 1091 O GLU A 67 0.474 -0.481 4.498 1.00 0.00 O ATOM 1092 CB GLU A 67 -1.403 -3.154 4.362 1.00 0.00 C ATOM 1093 CG GLU A 67 -2.902 -3.391 4.546 1.00 0.00 C ATOM 1094 CD GLU A 67 -3.409 -2.555 5.721 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -2.723 -2.509 6.729 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -4.474 -1.972 5.594 1.00 0.00 O ATOM 0 H GLU A 67 -1.374 -3.368 1.966 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.862 -1.094 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.944 -4.018 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.921 -3.035 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.438 -3.122 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.094 -4.448 4.728 1.00 0.00 H new ATOM 1103 N ALA A 68 1.191 -1.901 2.985 1.00 0.00 N ATOM 1104 CA ALA A 68 2.596 -1.423 3.136 1.00 0.00 C ATOM 1105 C ALA A 68 2.860 -0.222 2.222 1.00 0.00 C ATOM 1106 O ALA A 68 3.686 0.620 2.511 1.00 0.00 O ATOM 1107 CB ALA A 68 3.465 -2.613 2.723 1.00 0.00 C ATOM 0 H ALA A 68 1.057 -2.646 2.302 1.00 0.00 H new ATOM 0 HA ALA A 68 2.808 -1.093 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.517 -2.341 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.256 -3.460 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.242 -2.886 1.692 1.00 0.00 H new ATOM 1113 N THR A 69 2.170 -0.138 1.118 1.00 0.00 N ATOM 1114 CA THR A 69 2.389 1.007 0.189 1.00 0.00 C ATOM 1115 C THR A 69 1.683 2.272 0.699 1.00 0.00 C ATOM 1116 O THR A 69 1.797 3.330 0.113 1.00 0.00 O ATOM 1117 CB THR A 69 1.781 0.554 -1.140 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.442 0.132 -0.924 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.600 -0.606 -1.711 1.00 0.00 C ATOM 0 H THR A 69 1.465 -0.812 0.819 1.00 0.00 H new ATOM 0 HA THR A 69 3.445 1.260 0.098 1.00 0.00 H new ATOM 0 HB THR A 69 1.792 1.383 -1.847 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.432 -0.820 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.165 -0.927 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.627 -0.280 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.592 -1.438 -1.007 1.00 0.00 H new ATOM 1127 N ARG A 70 0.952 2.178 1.781 1.00 0.00 N ATOM 1128 CA ARG A 70 0.243 3.384 2.306 1.00 0.00 C ATOM 1129 C ARG A 70 -0.598 4.017 1.195 1.00 0.00 C ATOM 1130 O ARG A 70 -0.860 5.203 1.193 1.00 0.00 O ATOM 1131 CB ARG A 70 1.349 4.340 2.752 1.00 0.00 C ATOM 1132 CG ARG A 70 1.008 4.907 4.132 1.00 0.00 C ATOM 1133 CD ARG A 70 2.302 5.225 4.884 1.00 0.00 C ATOM 1134 NE ARG A 70 2.127 6.617 5.385 1.00 0.00 N ATOM 1135 CZ ARG A 70 3.056 7.169 6.116 1.00 0.00 C ATOM 1136 NH1 ARG A 70 3.781 6.433 6.913 1.00 0.00 N ATOM 1137 NH2 ARG A 70 3.260 8.457 6.050 1.00 0.00 N ATOM 0 H ARG A 70 0.816 1.323 2.321 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.434 3.142 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.304 3.816 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.457 5.150 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.404 5.808 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.414 4.188 4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.462 4.527 5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.169 5.148 4.227 1.00 0.00 H new ATOM 0 HE ARG A 70 1.281 7.139 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.621 5.427 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.508 6.864 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.693 9.032 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.986 8.888 6.622 1.00 0.00 H new ATOM 1151 N SER A 71 -1.016 3.224 0.251 1.00 0.00 N ATOM 1152 CA SER A 71 -1.837 3.752 -0.876 1.00 0.00 C ATOM 1153 C SER A 71 -3.222 3.092 -0.859 1.00 0.00 C ATOM 1154 O SER A 71 -3.596 2.451 0.102 1.00 0.00 O ATOM 1155 CB SER A 71 -1.061 3.344 -2.122 1.00 0.00 C ATOM 1156 OG SER A 71 0.308 3.676 -1.946 1.00 0.00 O ATOM 0 H SER A 71 -0.823 2.223 0.210 1.00 0.00 H new ATOM 0 HA SER A 71 -1.998 4.829 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.169 2.274 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.462 3.853 -2.998 1.00 0.00 H new ATOM 0 HG SER A 71 0.699 3.098 -1.258 1.00 0.00 H new ATOM 1162 N GLU A 72 -3.986 3.239 -1.908 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.339 2.607 -1.922 1.00 0.00 C ATOM 1164 C GLU A 72 -5.558 1.809 -3.212 1.00 0.00 C ATOM 1165 O GLU A 72 -5.608 2.359 -4.294 1.00 0.00 O ATOM 1166 CB GLU A 72 -6.330 3.774 -1.832 1.00 0.00 C ATOM 1167 CG GLU A 72 -6.423 4.254 -0.382 1.00 0.00 C ATOM 1168 CD GLU A 72 -7.576 3.535 0.320 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -7.389 2.393 0.704 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -8.626 4.140 0.463 1.00 0.00 O ATOM 0 H GLU A 72 -3.737 3.763 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.463 1.902 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.006 4.591 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.312 3.459 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.486 4.056 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.582 5.332 -0.354 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.678 0.511 -3.105 1.00 0.00 N ATOM 1178 CA LEU A 73 -5.879 -0.332 -4.308 1.00 0.00 C ATOM 1179 C LEU A 73 -7.164 0.009 -5.052 1.00 0.00 C ATOM 1180 O LEU A 73 -8.247 -0.294 -4.586 1.00 0.00 O ATOM 1181 CB LEU A 73 -6.042 -1.751 -3.754 1.00 0.00 C ATOM 1182 CG LEU A 73 -5.025 -2.695 -4.369 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -5.474 -4.131 -4.096 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -4.943 -2.505 -5.891 1.00 0.00 C ATOM 0 H LEU A 73 -5.644 -0.001 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.051 -0.196 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.923 -1.738 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.050 -2.112 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.048 -2.487 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.755 -4.826 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.533 -4.296 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.454 -4.297 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.207 -3.194 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.918 -2.706 -6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.646 -1.480 -6.114 1.00 0.00 H new ATOM 1196 N VAL A 74 -7.070 0.552 -6.233 1.00 0.00 N ATOM 1197 CA VAL A 74 -8.317 0.787 -6.996 1.00 0.00 C ATOM 1198 C VAL A 74 -8.809 -0.597 -7.437 1.00 0.00 C ATOM 1199 O VAL A 74 -9.990 -0.861 -7.523 1.00 0.00 O ATOM 1200 CB VAL A 74 -7.952 1.700 -8.181 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.324 2.984 -7.658 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -6.947 1.026 -9.104 1.00 0.00 C ATOM 0 H VAL A 74 -6.204 0.836 -6.691 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.110 1.276 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.867 1.910 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.066 3.630 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.033 3.498 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.423 2.745 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.708 1.694 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.038 0.798 -8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.374 0.103 -9.495 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.890 -1.512 -7.667 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.277 -2.909 -8.049 1.00 0.00 C ATOM 1214 C GLN A 75 -7.067 -3.720 -8.456 1.00 0.00 C ATOM 1215 O GLN A 75 -5.939 -3.270 -8.439 1.00 0.00 O ATOM 1216 CB GLN A 75 -9.255 -2.788 -9.223 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.617 -3.349 -8.812 1.00 0.00 C ATOM 1218 CD GLN A 75 -11.651 -3.023 -9.890 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -11.706 -1.912 -10.381 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -12.481 -3.951 -10.280 1.00 0.00 N ATOM 0 H GLN A 75 -6.885 -1.348 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.733 -3.424 -7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.355 -1.744 -9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.872 -3.331 -10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.550 -4.428 -8.672 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.925 -2.922 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.434 -4.883 -9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.176 -3.745 -10.997 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.322 -4.942 -8.780 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.248 -5.877 -9.154 1.00 0.00 C ATOM 1231 C VAL A 76 -6.533 -6.428 -10.561 1.00 0.00 C ATOM 1232 O VAL A 76 -7.411 -7.245 -10.753 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.360 -6.933 -8.038 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.182 -8.357 -8.580 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.285 -6.673 -6.982 1.00 0.00 C ATOM 0 H VAL A 76 -8.259 -5.344 -8.802 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.243 -5.461 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.357 -6.852 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.268 -9.071 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.952 -8.562 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.199 -8.450 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.363 -7.420 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.299 -6.735 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.425 -5.679 -6.557 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.806 -5.970 -11.540 1.00 0.00 N ATOM 1246 CA ILE A 77 -6.030 -6.437 -12.927 1.00 0.00 C ATOM 1247 C ILE A 77 -5.355 -7.795 -13.161 1.00 0.00 C ATOM 1248 O ILE A 77 -4.158 -7.879 -13.352 1.00 0.00 O ATOM 1249 CB ILE A 77 -5.382 -5.347 -13.773 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -6.191 -4.055 -13.627 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -5.363 -5.776 -15.232 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -5.580 -2.966 -14.506 1.00 0.00 C ATOM 0 H ILE A 77 -5.059 -5.284 -11.433 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.083 -6.588 -13.165 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.359 -5.180 -13.437 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.228 -4.229 -13.914 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.198 -3.734 -12.585 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.899 -4.995 -15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.792 -6.699 -15.332 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.384 -5.942 -15.576 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.157 -2.047 -14.401 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.550 -2.785 -14.198 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.596 -3.287 -15.547 1.00 0.00 H new ATOM 1264 N GLY A 78 -6.117 -8.855 -13.156 1.00 0.00 N ATOM 1265 CA GLY A 78 -5.529 -10.209 -13.388 1.00 0.00 C ATOM 1266 C GLY A 78 -4.301 -10.413 -12.498 1.00 0.00 C ATOM 1267 O GLY A 78 -4.399 -10.463 -11.288 1.00 0.00 O ATOM 0 H GLY A 78 -7.125 -8.843 -13.001 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.272 -10.977 -13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.249 -10.317 -14.436 1.00 0.00 H new ATOM 1271 N SER A 79 -3.144 -10.536 -13.090 1.00 0.00 N ATOM 1272 CA SER A 79 -1.908 -10.742 -12.283 1.00 0.00 C ATOM 1273 C SER A 79 -1.255 -9.400 -11.940 1.00 0.00 C ATOM 1274 O SER A 79 -0.137 -9.351 -11.470 1.00 0.00 O ATOM 1275 CB SER A 79 -0.988 -11.573 -13.179 1.00 0.00 C ATOM 1276 OG SER A 79 -0.711 -10.848 -14.370 1.00 0.00 O ATOM 0 H SER A 79 -3.001 -10.503 -14.099 1.00 0.00 H new ATOM 0 HA SER A 79 -2.117 -11.237 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.060 -11.801 -12.655 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.460 -12.525 -13.421 1.00 0.00 H new ATOM 0 HG SER A 79 -0.120 -11.377 -14.945 1.00 0.00 H new ATOM 1282 N MET A 80 -1.940 -8.312 -12.164 1.00 0.00 N ATOM 1283 CA MET A 80 -1.344 -6.986 -11.841 1.00 0.00 C ATOM 1284 C MET A 80 -2.200 -6.258 -10.802 1.00 0.00 C ATOM 1285 O MET A 80 -3.409 -6.257 -10.876 1.00 0.00 O ATOM 1286 CB MET A 80 -1.345 -6.220 -13.164 1.00 0.00 C ATOM 1287 CG MET A 80 -0.310 -6.831 -14.108 1.00 0.00 C ATOM 1288 SD MET A 80 -0.407 -6.009 -15.718 1.00 0.00 S ATOM 1289 CE MET A 80 1.373 -5.898 -16.021 1.00 0.00 C ATOM 0 H MET A 80 -2.882 -8.284 -12.555 1.00 0.00 H new ATOM 0 HA MET A 80 -0.343 -7.076 -11.420 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.335 -6.259 -13.618 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.116 -5.169 -12.988 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.690 -6.720 -13.690 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.491 -7.900 -14.221 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.560 -5.897 -17.095 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.760 -4.977 -15.585 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.873 -6.753 -15.566 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.583 -5.633 -9.837 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.369 -4.903 -8.807 1.00 0.00 C ATOM 1301 C ILE A 81 -2.246 -3.396 -9.039 1.00 0.00 C ATOM 1302 O ILE A 81 -1.163 -2.845 -9.033 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.737 -5.289 -7.471 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -1.780 -6.809 -7.301 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -2.512 -4.630 -6.330 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -1.095 -7.197 -5.990 1.00 0.00 C ATOM 0 H ILE A 81 -0.571 -5.597 -9.719 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.429 -5.153 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.701 -4.951 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.813 -7.156 -7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.282 -7.293 -8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.061 -4.906 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.480 -3.547 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.548 -4.967 -6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.126 -8.280 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.057 -6.864 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.613 -6.724 -5.155 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.342 -2.725 -9.251 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.279 -1.256 -9.490 1.00 0.00 C ATOM 1320 C VAL A 82 -3.519 -0.491 -8.190 1.00 0.00 C ATOM 1321 O VAL A 82 -4.594 -0.534 -7.629 1.00 0.00 O ATOM 1322 CB VAL A 82 -4.405 -0.972 -10.478 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -4.508 0.537 -10.708 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.110 -1.681 -11.803 1.00 0.00 C ATOM 0 H VAL A 82 -4.278 -3.129 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.305 -0.945 -9.868 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.349 -1.340 -10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.312 0.743 -11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.719 1.036 -9.762 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.566 0.909 -11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.914 -1.479 -12.511 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.168 -1.314 -12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.038 -2.755 -11.633 1.00 0.00 H new ATOM 1334 N ILE A 83 -2.536 0.214 -7.707 1.00 0.00 N ATOM 1335 CA ILE A 83 -2.737 0.976 -6.444 1.00 0.00 C ATOM 1336 C ILE A 83 -2.456 2.462 -6.662 1.00 0.00 C ATOM 1337 O ILE A 83 -1.604 2.839 -7.442 1.00 0.00 O ATOM 1338 CB ILE A 83 -1.735 0.383 -5.451 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -1.915 -1.138 -5.379 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -1.983 0.984 -4.074 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -0.716 -1.781 -4.681 1.00 0.00 C ATOM 0 H ILE A 83 -1.610 0.296 -8.127 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.763 0.899 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.721 0.611 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.831 -1.378 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.022 -1.547 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.272 0.566 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.856 2.066 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.998 0.751 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.857 -2.861 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.193 -1.556 -5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.628 -1.385 -3.669 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.167 3.308 -5.969 1.00 0.00 N ATOM 1354 CA TYR A 84 -2.945 4.770 -6.123 1.00 0.00 C ATOM 1355 C TYR A 84 -2.408 5.347 -4.804 1.00 0.00 C ATOM 1356 O TYR A 84 -3.114 5.409 -3.817 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.335 5.340 -6.439 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.337 6.848 -6.278 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.509 7.646 -7.079 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -5.170 7.444 -5.324 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.518 9.037 -6.926 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -5.178 8.837 -5.171 1.00 0.00 C ATOM 1363 CZ TYR A 84 -4.352 9.633 -5.973 1.00 0.00 C ATOM 1364 OH TYR A 84 -4.360 11.005 -5.823 1.00 0.00 O ATOM 0 H TYR A 84 -3.893 3.048 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.220 5.013 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.620 5.076 -7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.077 4.896 -5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.864 7.188 -7.814 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.807 6.830 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.880 9.652 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.821 9.296 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.150 11.429 -6.681 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.176 5.773 -4.774 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.629 6.344 -3.508 1.00 0.00 C ATOM 1376 C ARG A 85 -0.696 7.872 -3.529 1.00 0.00 C ATOM 1377 O ARG A 85 0.086 8.523 -4.194 1.00 0.00 O ATOM 1378 CB ARG A 85 0.825 5.881 -3.447 1.00 0.00 C ATOM 1379 CG ARG A 85 1.375 6.133 -2.039 1.00 0.00 C ATOM 1380 CD ARG A 85 2.457 7.213 -2.097 1.00 0.00 C ATOM 1381 NE ARG A 85 2.489 7.790 -0.726 1.00 0.00 N ATOM 1382 CZ ARG A 85 3.418 7.425 0.114 1.00 0.00 C ATOM 1383 NH1 ARG A 85 4.652 7.299 -0.292 1.00 0.00 N ATOM 1384 NH2 ARG A 85 3.112 7.185 1.360 1.00 0.00 N ATOM 0 H ARG A 85 -0.528 5.752 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.201 6.014 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.892 4.821 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.421 6.418 -4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.570 6.446 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.788 5.212 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.424 6.791 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.218 7.973 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 85 1.784 8.471 -0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.890 7.486 -1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.378 7.014 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.147 7.283 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.838 6.900 2.017 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.614 8.435 -2.778 1.00 0.00 N ATOM 1399 CA GLU A 86 -1.772 9.932 -2.692 1.00 0.00 C ATOM 1400 C GLU A 86 -1.377 10.647 -4.000 1.00 0.00 C ATOM 1401 O GLU A 86 -1.519 10.112 -5.083 1.00 0.00 O ATOM 1402 CB GLU A 86 -0.848 10.348 -1.542 1.00 0.00 C ATOM 1403 CG GLU A 86 0.616 10.150 -1.946 1.00 0.00 C ATOM 1404 CD GLU A 86 1.524 10.810 -0.909 1.00 0.00 C ATOM 1405 OE1 GLU A 86 1.226 10.699 0.268 1.00 0.00 O ATOM 1406 OE2 GLU A 86 2.504 11.417 -1.311 1.00 0.00 O ATOM 0 H GLU A 86 -2.277 7.911 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.813 10.210 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.024 11.392 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.071 9.757 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.843 9.087 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.795 10.583 -2.930 1.00 0.00 H new ATOM 1413 N SER A 87 -0.880 11.854 -3.897 1.00 0.00 N ATOM 1414 CA SER A 87 -0.469 12.621 -5.111 1.00 0.00 C ATOM 1415 C SER A 87 0.958 13.142 -4.939 1.00 0.00 C ATOM 1416 O SER A 87 1.376 13.475 -3.848 1.00 0.00 O ATOM 1417 CB SER A 87 -1.436 13.794 -5.209 1.00 0.00 C ATOM 1418 OG SER A 87 -2.723 13.385 -4.763 1.00 0.00 O ATOM 0 H SER A 87 -0.740 12.345 -3.014 1.00 0.00 H new ATOM 0 HA SER A 87 -0.493 12.000 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.077 14.627 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.492 14.149 -6.238 1.00 0.00 H new ATOM 0 HG SER A 87 -3.011 12.599 -5.273 1.00 0.00 H new ATOM 1424 N LYS A 88 1.706 13.233 -6.002 1.00 0.00 N ATOM 1425 CA LYS A 88 3.092 13.749 -5.884 1.00 0.00 C ATOM 1426 C LYS A 88 3.383 14.612 -7.101 1.00 0.00 C ATOM 1427 O LYS A 88 3.657 15.791 -6.996 1.00 0.00 O ATOM 1428 CB LYS A 88 3.990 12.512 -5.860 1.00 0.00 C ATOM 1429 CG LYS A 88 4.259 12.102 -4.410 1.00 0.00 C ATOM 1430 CD LYS A 88 5.735 12.329 -4.076 1.00 0.00 C ATOM 1431 CE LYS A 88 5.850 13.351 -2.943 1.00 0.00 C ATOM 1432 NZ LYS A 88 5.659 12.563 -1.693 1.00 0.00 N ATOM 0 H LYS A 88 1.416 12.972 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 88 3.252 14.356 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.513 11.693 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.930 12.723 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.630 12.682 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.000 11.053 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.201 11.389 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.268 12.686 -4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.822 13.845 -2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.095 14.131 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.825 13.175 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.687 12.194 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.331 11.770 -1.676 1.00 0.00 H new ATOM 1446 N GLU A 89 3.279 14.036 -8.263 1.00 0.00 N ATOM 1447 CA GLU A 89 3.499 14.826 -9.496 1.00 0.00 C ATOM 1448 C GLU A 89 2.156 14.999 -10.204 1.00 0.00 C ATOM 1449 O GLU A 89 1.472 14.044 -10.502 1.00 0.00 O ATOM 1450 CB GLU A 89 4.482 14.009 -10.345 1.00 0.00 C ATOM 1451 CG GLU A 89 3.830 12.700 -10.805 1.00 0.00 C ATOM 1452 CD GLU A 89 4.875 11.832 -11.508 1.00 0.00 C ATOM 1453 OE1 GLU A 89 5.627 11.167 -10.816 1.00 0.00 O ATOM 1454 OE2 GLU A 89 4.907 11.850 -12.728 1.00 0.00 O ATOM 0 H GLU A 89 3.051 13.053 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 89 3.903 15.820 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.795 14.591 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.380 13.792 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.415 12.167 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.002 12.911 -11.482 1.00 0.00 H new ATOM 1461 N ASN A 90 1.773 16.216 -10.444 1.00 0.00 N ATOM 1462 CA ASN A 90 0.468 16.493 -11.114 1.00 0.00 C ATOM 1463 C ASN A 90 0.394 15.798 -12.476 1.00 0.00 C ATOM 1464 O ASN A 90 0.623 16.399 -13.507 1.00 0.00 O ATOM 1465 CB ASN A 90 0.424 18.012 -11.288 1.00 0.00 C ATOM 1466 CG ASN A 90 0.517 18.689 -9.919 1.00 0.00 C ATOM 1467 OD1 ASN A 90 0.027 18.171 -8.936 1.00 0.00 O ATOM 1468 ND2 ASN A 90 1.131 19.836 -9.814 1.00 0.00 N ATOM 0 H ASN A 90 2.313 17.047 -10.203 1.00 0.00 H new ATOM 0 HA ASN A 90 -0.373 16.120 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.247 18.339 -11.923 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.500 18.304 -11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.199 20.297 -8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.543 20.271 -10.639 1.00 0.00 H new ATOM 1475 N LYS A 91 0.067 14.538 -12.484 1.00 0.00 N ATOM 1476 CA LYS A 91 -0.037 13.795 -13.774 1.00 0.00 C ATOM 1477 C LYS A 91 -1.507 13.690 -14.184 1.00 0.00 C ATOM 1478 O LYS A 91 -2.360 14.354 -13.629 1.00 0.00 O ATOM 1479 CB LYS A 91 0.539 12.408 -13.479 1.00 0.00 C ATOM 1480 CG LYS A 91 1.490 11.996 -14.605 1.00 0.00 C ATOM 1481 CD LYS A 91 1.745 10.489 -14.530 1.00 0.00 C ATOM 1482 CE LYS A 91 0.594 9.742 -15.206 1.00 0.00 C ATOM 1483 NZ LYS A 91 0.922 9.761 -16.659 1.00 0.00 N ATOM 0 H LYS A 91 -0.134 13.986 -11.650 1.00 0.00 H new ATOM 0 HA LYS A 91 0.494 14.287 -14.588 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.070 12.419 -12.527 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.267 11.681 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.060 12.255 -15.572 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.431 12.540 -14.518 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.688 10.244 -15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.834 10.176 -13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.513 8.721 -14.833 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.361 10.229 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.045 9.841 -17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.537 10.574 -16.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.414 8.881 -16.915 1.00 0.00 H new ATOM 1497 N GLU A 92 -1.819 12.858 -15.140 1.00 0.00 N ATOM 1498 CA GLU A 92 -3.245 12.725 -15.555 1.00 0.00 C ATOM 1499 C GLU A 92 -3.984 11.825 -14.564 1.00 0.00 C ATOM 1500 O GLU A 92 -4.330 10.701 -14.866 1.00 0.00 O ATOM 1501 CB GLU A 92 -3.199 12.077 -16.939 1.00 0.00 C ATOM 1502 CG GLU A 92 -3.529 13.123 -18.006 1.00 0.00 C ATOM 1503 CD GLU A 92 -3.634 12.443 -19.373 1.00 0.00 C ATOM 1504 OE1 GLU A 92 -4.712 11.975 -19.699 1.00 0.00 O ATOM 1505 OE2 GLU A 92 -2.633 12.402 -20.071 1.00 0.00 O ATOM 0 H GLU A 92 -1.157 12.271 -15.647 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.766 13.682 -15.577 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.211 11.656 -17.122 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.911 11.253 -16.990 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.467 13.622 -17.763 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.756 13.891 -18.029 1.00 0.00 H new ATOM 1512 N ILE A 93 -4.227 12.317 -13.380 1.00 0.00 N ATOM 1513 CA ILE A 93 -4.942 11.499 -12.360 1.00 0.00 C ATOM 1514 C ILE A 93 -6.343 12.069 -12.117 1.00 0.00 C ATOM 1515 O ILE A 93 -6.534 13.266 -12.040 1.00 0.00 O ATOM 1516 CB ILE A 93 -4.079 11.604 -11.094 1.00 0.00 C ATOM 1517 CG1 ILE A 93 -2.784 10.803 -11.292 1.00 0.00 C ATOM 1518 CG2 ILE A 93 -4.845 11.057 -9.882 1.00 0.00 C ATOM 1519 CD1 ILE A 93 -3.089 9.300 -11.341 1.00 0.00 C ATOM 0 H ILE A 93 -3.960 13.253 -13.074 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.075 10.463 -12.672 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.838 12.652 -10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.295 11.112 -12.216 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.090 11.014 -10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.222 11.137 -8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.759 11.633 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.099 10.011 -10.054 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.162 8.745 -11.482 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.557 8.993 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.765 9.093 -12.170 1.00 0.00 H new ATOM 1531 N GLU A 94 -7.318 11.218 -11.976 1.00 0.00 N ATOM 1532 CA GLU A 94 -8.699 11.707 -11.714 1.00 0.00 C ATOM 1533 C GLU A 94 -9.195 11.119 -10.394 1.00 0.00 C ATOM 1534 O GLU A 94 -9.393 9.928 -10.270 1.00 0.00 O ATOM 1535 CB GLU A 94 -9.534 11.197 -12.889 1.00 0.00 C ATOM 1536 CG GLU A 94 -10.994 11.618 -12.703 1.00 0.00 C ATOM 1537 CD GLU A 94 -11.646 11.844 -14.069 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -11.034 11.494 -15.065 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -12.749 12.366 -14.097 1.00 0.00 O ATOM 0 H GLU A 94 -7.219 10.204 -12.031 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.758 12.792 -11.631 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.146 11.598 -13.825 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.464 10.111 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.537 10.849 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.046 12.531 -12.109 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.386 11.944 -9.405 1.00 0.00 N ATOM 1547 CA LEU A 95 -9.856 11.428 -8.090 1.00 0.00 C ATOM 1548 C LEU A 95 -10.837 12.420 -7.455 1.00 0.00 C ATOM 1549 O LEU A 95 -10.486 13.133 -6.538 1.00 0.00 O ATOM 1550 CB LEU A 95 -8.588 11.298 -7.243 1.00 0.00 C ATOM 1551 CG LEU A 95 -8.669 10.026 -6.401 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -7.985 8.878 -7.145 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -7.973 10.250 -5.057 1.00 0.00 C ATOM 0 H LEU A 95 -9.237 12.952 -9.449 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.383 10.478 -8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.709 11.266 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.478 12.169 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.715 9.776 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.042 7.970 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.485 8.714 -8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.939 9.131 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.033 9.340 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.927 10.504 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.462 11.066 -4.525 1.00 0.00 H new ATOM 1565 N PRO A 96 -12.042 12.435 -7.970 1.00 0.00 N ATOM 1566 CA PRO A 96 -13.083 13.353 -7.444 1.00 0.00 C ATOM 1567 C PRO A 96 -13.523 12.916 -6.044 1.00 0.00 C ATOM 1568 O PRO A 96 -14.711 12.713 -5.853 1.00 0.00 O ATOM 1569 CB PRO A 96 -14.227 13.212 -8.443 1.00 0.00 C ATOM 1570 CG PRO A 96 -14.032 11.866 -9.053 1.00 0.00 C ATOM 1571 CD PRO A 96 -12.549 11.612 -9.075 1.00 0.00 C ATOM 0 HA PRO A 96 -12.736 14.382 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.196 13.286 -7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.193 13.998 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.547 11.100 -8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.445 11.834 -10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.321 10.557 -8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.106 11.903 -10.028 1.00 0.00 H new TER 1579 PRO A 96