USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 51:sc= 0.407 USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0.541 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.0661 X(o=0.52,f=0.87) USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 89 THR OG1 : rot -173:sc= 0.59 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -8:sc= 1.2 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.147 K(o=-0.15,f=-4.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 15:sc= 0.639 USER MOD Single : A 40 THR OG1 : rot 6:sc= 1.01 USER MOD Single : A 57 SER OG : rot -51:sc= 1.2 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.0491 USER MOD Single : A 76 SER OG : rot 180:sc= -0.104 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.071) USER MOD Single : A 86 SER OG : rot 79:sc= 0.0705 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 92 THR OG1 : rot -142:sc= 1.26 USER MOD Single : A 93 GLN : amide:sc= 1.24 K(o=1.2,f=0) USER MOD Single : A 94 GLN : amide:sc= 0.399 K(o=0.4,f=-0.19) USER MOD Single : A 95 THR OG1 : rot -4:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.410 15.544 -2.632 1.00 0.00 N ATOM 2 CA MET A 1 -26.841 14.855 -1.409 1.00 0.00 C ATOM 3 C MET A 1 -26.284 13.434 -1.380 1.00 0.00 C ATOM 4 O MET A 1 -27.018 12.495 -1.696 1.00 0.00 O ATOM 5 CB MET A 1 -28.368 14.876 -1.247 1.00 0.00 C ATOM 6 CG MET A 1 -28.923 16.254 -0.880 1.00 0.00 C ATOM 7 SD MET A 1 -30.720 16.236 -0.644 1.00 0.00 S ATOM 8 CE MET A 1 -30.972 17.913 -0.005 1.00 0.00 C ATOM 0 H1 MET A 1 -26.795 16.510 -2.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.371 15.585 -2.659 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.758 15.025 -3.464 1.00 0.00 H new ATOM 0 HA MET A 1 -26.435 15.396 -0.554 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.829 14.543 -2.177 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.654 14.161 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.443 16.604 0.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.670 16.966 -1.666 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.032 18.071 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.406 18.040 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.630 18.639 -0.743 1.00 0.00 H new ATOM 20 N ARG A 2 -25.005 13.282 -0.990 1.00 0.00 N ATOM 21 CA ARG A 2 -24.247 12.062 -0.650 1.00 0.00 C ATOM 22 C ARG A 2 -22.744 12.259 -0.870 1.00 0.00 C ATOM 23 O ARG A 2 -22.310 13.063 -1.707 1.00 0.00 O ATOM 24 CB ARG A 2 -24.719 10.773 -1.358 1.00 0.00 C ATOM 25 CG ARG A 2 -24.616 10.880 -2.886 1.00 0.00 C ATOM 26 CD ARG A 2 -25.684 10.053 -3.613 1.00 0.00 C ATOM 27 NE ARG A 2 -26.205 10.796 -4.766 1.00 0.00 N ATOM 28 CZ ARG A 2 -25.507 11.168 -5.839 1.00 0.00 C ATOM 29 NH1 ARG A 2 -24.329 10.633 -6.139 1.00 0.00 N ATOM 30 NH2 ARG A 2 -25.992 12.122 -6.611 1.00 0.00 N ATOM 0 H ARG A 2 -24.410 14.105 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 2 -24.453 11.909 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -24.119 9.931 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -25.752 10.564 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -24.710 11.925 -3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -23.627 10.548 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -25.258 9.106 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -26.497 9.814 -2.928 1.00 0.00 H new ATOM 0 HE ARG A 2 -27.192 11.051 -4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -23.929 9.911 -5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -23.824 10.944 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -26.885 12.559 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -25.474 12.422 -7.437 1.00 0.00 H new ATOM 44 N GLY A 3 -21.951 11.430 -0.203 1.00 0.00 N ATOM 45 CA GLY A 3 -20.579 11.105 -0.551 1.00 0.00 C ATOM 46 C GLY A 3 -20.300 9.693 -0.051 1.00 0.00 C ATOM 47 O GLY A 3 -21.066 9.170 0.766 1.00 0.00 O ATOM 0 H GLY A 3 -22.266 10.943 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.433 11.165 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.890 11.816 -0.096 1.00 0.00 H new ATOM 51 N SER A 4 -19.212 9.083 -0.518 1.00 0.00 N ATOM 52 CA SER A 4 -18.660 7.893 0.112 1.00 0.00 C ATOM 53 C SER A 4 -17.981 8.279 1.429 1.00 0.00 C ATOM 54 O SER A 4 -17.873 9.460 1.773 1.00 0.00 O ATOM 55 CB SER A 4 -17.662 7.222 -0.823 1.00 0.00 C ATOM 56 OG SER A 4 -17.620 5.821 -0.637 1.00 0.00 O ATOM 0 H SER A 4 -18.694 9.400 -1.338 1.00 0.00 H new ATOM 0 HA SER A 4 -19.465 7.189 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.929 7.442 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.670 7.640 -0.654 1.00 0.00 H new ATOM 0 HG SER A 4 -16.970 5.428 -1.256 1.00 0.00 H new ATOM 62 N GLU A 5 -17.477 7.264 2.122 1.00 0.00 N ATOM 63 CA GLU A 5 -16.783 7.368 3.390 1.00 0.00 C ATOM 64 C GLU A 5 -15.522 8.236 3.249 1.00 0.00 C ATOM 65 O GLU A 5 -15.491 9.375 3.722 1.00 0.00 O ATOM 66 CB GLU A 5 -16.497 5.934 3.853 1.00 0.00 C ATOM 67 CG GLU A 5 -16.131 5.819 5.338 1.00 0.00 C ATOM 68 CD GLU A 5 -17.069 4.813 6.001 1.00 0.00 C ATOM 69 OE1 GLU A 5 -18.181 5.225 6.395 1.00 0.00 O ATOM 70 OE2 GLU A 5 -16.768 3.595 6.005 1.00 0.00 O ATOM 0 H GLU A 5 -17.548 6.301 1.794 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.384 7.871 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.375 5.318 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.681 5.526 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.095 5.498 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.216 6.791 5.824 1.00 0.00 H new ATOM 77 N VAL A 6 -14.488 7.708 2.592 1.00 0.00 N ATOM 78 CA VAL A 6 -13.187 8.336 2.383 1.00 0.00 C ATOM 79 C VAL A 6 -12.725 7.910 0.975 1.00 0.00 C ATOM 80 O VAL A 6 -13.059 6.794 0.550 1.00 0.00 O ATOM 81 CB VAL A 6 -12.212 7.871 3.502 1.00 0.00 C ATOM 82 CG1 VAL A 6 -10.809 8.486 3.384 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.727 8.216 4.912 1.00 0.00 C ATOM 0 H VAL A 6 -14.541 6.781 2.170 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.225 9.424 2.438 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.156 6.791 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.181 8.119 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.368 8.204 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.881 9.572 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.010 7.870 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.850 9.295 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.687 7.727 5.078 1.00 0.00 H new ATOM 93 N PRO A 7 -11.987 8.749 0.224 1.00 0.00 N ATOM 94 CA PRO A 7 -11.356 8.341 -1.026 1.00 0.00 C ATOM 95 C PRO A 7 -10.199 7.381 -0.726 1.00 0.00 C ATOM 96 O PRO A 7 -9.231 7.757 -0.058 1.00 0.00 O ATOM 97 CB PRO A 7 -10.886 9.635 -1.695 1.00 0.00 C ATOM 98 CG PRO A 7 -10.640 10.572 -0.515 1.00 0.00 C ATOM 99 CD PRO A 7 -11.713 10.156 0.489 1.00 0.00 C ATOM 0 HA PRO A 7 -12.034 7.804 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.980 9.479 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.640 10.033 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.637 10.450 -0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.742 11.618 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.367 10.300 1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.614 10.758 0.370 1.00 0.00 H new ATOM 107 N GLN A 8 -10.296 6.140 -1.204 1.00 0.00 N ATOM 108 CA GLN A 8 -9.208 5.176 -1.116 1.00 0.00 C ATOM 109 C GLN A 8 -8.312 5.304 -2.355 1.00 0.00 C ATOM 110 O GLN A 8 -8.671 5.988 -3.317 1.00 0.00 O ATOM 111 CB GLN A 8 -9.775 3.774 -0.855 1.00 0.00 C ATOM 112 CG GLN A 8 -10.432 3.119 -2.073 1.00 0.00 C ATOM 113 CD GLN A 8 -9.699 1.912 -2.657 1.00 0.00 C ATOM 114 OE1 GLN A 8 -9.690 1.716 -3.864 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.152 1.020 -1.845 1.00 0.00 N ATOM 0 H GLN A 8 -11.132 5.779 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.559 5.381 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.970 3.130 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.509 3.836 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.439 2.809 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.534 3.871 -2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.156 1.178 -0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.727 0.176 -2.227 1.00 0.00 H new ATOM 124 N LEU A 9 -7.146 4.651 -2.346 1.00 0.00 N ATOM 125 CA LEU A 9 -6.234 4.675 -3.486 1.00 0.00 C ATOM 126 C LEU A 9 -6.736 3.712 -4.553 1.00 0.00 C ATOM 127 O LEU A 9 -6.336 2.545 -4.598 1.00 0.00 O ATOM 128 CB LEU A 9 -4.788 4.352 -3.081 1.00 0.00 C ATOM 129 CG LEU A 9 -4.092 5.455 -2.269 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.667 4.987 -1.975 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.095 6.809 -2.990 1.00 0.00 C ATOM 0 H LEU A 9 -6.813 4.098 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.219 5.687 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.785 3.432 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.206 4.160 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.641 5.618 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.145 5.750 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.699 4.059 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.139 4.817 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.591 7.552 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.573 6.715 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.123 7.124 -3.169 1.00 0.00 H new ATOM 143 N THR A 10 -7.617 4.216 -5.406 1.00 0.00 N ATOM 144 CA THR A 10 -8.143 3.509 -6.559 1.00 0.00 C ATOM 145 C THR A 10 -7.110 3.458 -7.707 1.00 0.00 C ATOM 146 O THR A 10 -7.103 2.498 -8.481 1.00 0.00 O ATOM 147 CB THR A 10 -9.449 4.203 -6.986 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.253 4.513 -5.860 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.286 3.293 -7.885 1.00 0.00 C ATOM 0 H THR A 10 -7.995 5.158 -5.309 1.00 0.00 H new ATOM 0 HA THR A 10 -8.352 2.471 -6.300 1.00 0.00 H new ATOM 0 HB THR A 10 -9.157 5.110 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.076 4.955 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.203 3.808 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.716 3.041 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.537 2.380 -7.346 1.00 0.00 H new ATOM 157 N ASP A 11 -6.214 4.447 -7.832 1.00 0.00 N ATOM 158 CA ASP A 11 -5.177 4.520 -8.886 1.00 0.00 C ATOM 159 C ASP A 11 -3.939 3.667 -8.558 1.00 0.00 C ATOM 160 O ASP A 11 -2.926 3.718 -9.253 1.00 0.00 O ATOM 161 CB ASP A 11 -4.759 5.982 -9.134 1.00 0.00 C ATOM 162 CG ASP A 11 -4.677 6.323 -10.623 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.768 5.862 -11.341 1.00 0.00 O ATOM 164 OD2 ASP A 11 -5.558 7.090 -11.082 1.00 0.00 O ATOM 0 H ASP A 11 -6.185 5.240 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.622 4.110 -9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.474 6.648 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.790 6.163 -8.669 1.00 0.00 H new ATOM 169 N LEU A 12 -3.994 2.916 -7.455 1.00 0.00 N ATOM 170 CA LEU A 12 -2.924 2.069 -6.947 1.00 0.00 C ATOM 171 C LEU A 12 -2.470 1.100 -8.034 1.00 0.00 C ATOM 172 O LEU A 12 -3.294 0.430 -8.662 1.00 0.00 O ATOM 173 CB LEU A 12 -3.455 1.350 -5.696 1.00 0.00 C ATOM 174 CG LEU A 12 -2.480 0.528 -4.829 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.151 -0.865 -5.381 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.213 1.319 -4.501 1.00 0.00 C ATOM 0 H LEU A 12 -4.827 2.884 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.047 2.653 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.910 2.103 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.253 0.680 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.019 0.341 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.459 -1.370 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.068 -1.449 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.692 -0.767 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.550 0.707 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.704 1.591 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.480 2.223 -3.954 1.00 0.00 H new ATOM 188 N SER A 13 -1.166 1.014 -8.288 1.00 0.00 N ATOM 189 CA SER A 13 -0.562 -0.099 -9.012 1.00 0.00 C ATOM 190 C SER A 13 0.872 -0.318 -8.554 1.00 0.00 C ATOM 191 O SER A 13 1.453 0.554 -7.910 1.00 0.00 O ATOM 192 CB SER A 13 -0.595 0.139 -10.525 1.00 0.00 C ATOM 193 OG SER A 13 -1.895 0.463 -11.002 1.00 0.00 O ATOM 0 H SER A 13 -0.494 1.722 -7.994 1.00 0.00 H new ATOM 0 HA SER A 13 -1.147 -0.992 -8.793 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.092 0.947 -10.776 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.237 -0.754 -11.037 1.00 0.00 H new ATOM 0 HG SER A 13 -2.547 0.347 -10.280 1.00 0.00 H new ATOM 199 N PHE A 14 1.446 -1.468 -8.896 1.00 0.00 N ATOM 200 CA PHE A 14 2.849 -1.774 -8.726 1.00 0.00 C ATOM 201 C PHE A 14 3.561 -1.577 -10.067 1.00 0.00 C ATOM 202 O PHE A 14 2.946 -1.697 -11.133 1.00 0.00 O ATOM 203 CB PHE A 14 2.990 -3.225 -8.258 1.00 0.00 C ATOM 204 CG PHE A 14 2.088 -3.668 -7.118 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.743 -2.787 -6.074 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.626 -4.998 -7.085 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.965 -3.234 -4.992 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.825 -5.437 -6.019 1.00 0.00 C ATOM 209 CZ PHE A 14 0.493 -4.553 -4.979 1.00 0.00 C ATOM 0 H PHE A 14 0.921 -2.236 -9.314 1.00 0.00 H new ATOM 0 HA PHE A 14 3.296 -1.116 -7.981 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.804 -3.877 -9.112 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.025 -3.385 -7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.079 -1.761 -6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.888 -5.680 -7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.733 -2.565 -4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.464 -6.455 -5.998 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.130 -4.892 -4.165 1.00 0.00 H new ATOM 219 N VAL A 15 4.860 -1.326 -10.023 1.00 0.00 N ATOM 220 CA VAL A 15 5.753 -1.160 -11.161 1.00 0.00 C ATOM 221 C VAL A 15 7.109 -1.750 -10.756 1.00 0.00 C ATOM 222 O VAL A 15 7.327 -2.009 -9.576 1.00 0.00 O ATOM 223 CB VAL A 15 5.868 0.337 -11.537 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.717 0.776 -12.455 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.952 1.299 -10.339 1.00 0.00 C ATOM 0 H VAL A 15 5.351 -1.226 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 15 5.373 -1.675 -12.044 1.00 0.00 H new ATOM 0 HB VAL A 15 6.821 0.407 -12.062 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.829 1.832 -12.699 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.738 0.187 -13.372 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.766 0.620 -11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.030 2.324 -10.700 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.056 1.197 -9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.830 1.058 -9.740 1.00 0.00 H new ATOM 235 N ASP A 16 8.017 -1.935 -11.717 1.00 0.00 N ATOM 236 CA ASP A 16 9.404 -2.365 -11.579 1.00 0.00 C ATOM 237 C ASP A 16 9.511 -3.471 -10.540 1.00 0.00 C ATOM 238 O ASP A 16 10.226 -3.350 -9.546 1.00 0.00 O ATOM 239 CB ASP A 16 10.344 -1.173 -11.344 1.00 0.00 C ATOM 240 CG ASP A 16 10.699 -0.469 -12.650 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.949 0.445 -13.067 1.00 0.00 O ATOM 242 OD2 ASP A 16 11.738 -0.810 -13.254 1.00 0.00 O ATOM 0 H ASP A 16 7.776 -1.773 -12.695 1.00 0.00 H new ATOM 0 HA ASP A 16 9.744 -2.801 -12.518 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.870 -0.464 -10.665 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.256 -1.519 -10.857 1.00 0.00 H new ATOM 247 N ILE A 17 8.742 -4.535 -10.778 1.00 0.00 N ATOM 248 CA ILE A 17 8.659 -5.756 -9.988 1.00 0.00 C ATOM 249 C ILE A 17 9.892 -6.590 -10.357 1.00 0.00 C ATOM 250 O ILE A 17 9.810 -7.600 -11.060 1.00 0.00 O ATOM 251 CB ILE A 17 7.300 -6.450 -10.272 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.091 -5.489 -10.100 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.090 -7.664 -9.353 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.371 -5.230 -11.424 1.00 0.00 C ATOM 0 H ILE A 17 8.119 -4.564 -11.585 1.00 0.00 H new ATOM 0 HA ILE A 17 8.675 -5.586 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 17 7.346 -6.772 -11.312 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.389 -5.915 -9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.437 -4.543 -9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.129 -8.128 -9.577 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.889 -8.387 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.102 -7.339 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.533 -4.553 -11.256 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.065 -4.779 -12.133 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.001 -6.173 -11.827 1.00 0.00 H new ATOM 266 N THR A 18 11.058 -6.058 -10.012 1.00 0.00 N ATOM 267 CA THR A 18 12.346 -6.724 -10.164 1.00 0.00 C ATOM 268 C THR A 18 12.686 -7.576 -8.924 1.00 0.00 C ATOM 269 O THR A 18 12.089 -7.420 -7.862 1.00 0.00 O ATOM 270 CB THR A 18 13.396 -5.653 -10.505 1.00 0.00 C ATOM 271 OG1 THR A 18 14.590 -6.263 -10.945 1.00 0.00 O ATOM 272 CG2 THR A 18 13.708 -4.675 -9.365 1.00 0.00 C ATOM 0 H THR A 18 11.136 -5.125 -9.607 1.00 0.00 H new ATOM 0 HA THR A 18 12.323 -7.442 -10.984 1.00 0.00 H new ATOM 0 HB THR A 18 12.950 -5.055 -11.300 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.250 -5.572 -11.161 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.458 -3.957 -9.697 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.799 -4.145 -9.081 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.089 -5.227 -8.506 1.00 0.00 H new ATOM 280 N ASP A 19 13.712 -8.428 -9.022 1.00 0.00 N ATOM 281 CA ASP A 19 14.148 -9.418 -8.018 1.00 0.00 C ATOM 282 C ASP A 19 14.870 -8.765 -6.821 1.00 0.00 C ATOM 283 O ASP A 19 15.582 -9.443 -6.067 1.00 0.00 O ATOM 284 CB ASP A 19 15.131 -10.433 -8.652 1.00 0.00 C ATOM 285 CG ASP A 19 14.641 -11.110 -9.927 1.00 0.00 C ATOM 286 OD1 ASP A 19 14.560 -10.408 -10.965 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.415 -12.343 -9.954 1.00 0.00 O ATOM 0 H ASP A 19 14.300 -8.450 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 19 13.242 -9.910 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.067 -9.919 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.356 -11.204 -7.915 1.00 0.00 H new ATOM 292 N SER A 20 14.788 -7.438 -6.691 1.00 0.00 N ATOM 293 CA SER A 20 15.350 -6.667 -5.591 1.00 0.00 C ATOM 294 C SER A 20 14.397 -5.758 -4.848 1.00 0.00 C ATOM 295 O SER A 20 14.721 -5.294 -3.753 1.00 0.00 O ATOM 296 CB SER A 20 16.586 -5.919 -6.098 1.00 0.00 C ATOM 297 OG SER A 20 16.260 -4.820 -6.942 1.00 0.00 O ATOM 0 H SER A 20 14.310 -6.854 -7.377 1.00 0.00 H new ATOM 0 HA SER A 20 15.620 -7.391 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.161 -5.558 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.226 -6.612 -6.644 1.00 0.00 H new ATOM 0 HG SER A 20 15.595 -4.253 -6.498 1.00 0.00 H new ATOM 303 N SER A 21 13.244 -5.485 -5.431 1.00 0.00 N ATOM 304 CA SER A 21 12.424 -4.374 -5.045 1.00 0.00 C ATOM 305 C SER A 21 11.163 -4.368 -5.883 1.00 0.00 C ATOM 306 O SER A 21 11.216 -4.682 -7.070 1.00 0.00 O ATOM 307 CB SER A 21 13.199 -3.039 -5.162 1.00 0.00 C ATOM 308 OG SER A 21 14.135 -2.943 -6.226 1.00 0.00 O ATOM 0 H SER A 21 12.855 -6.040 -6.193 1.00 0.00 H new ATOM 0 HA SER A 21 12.144 -4.481 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.475 -2.232 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.729 -2.868 -4.225 1.00 0.00 H new ATOM 0 HG SER A 21 14.563 -2.062 -6.206 1.00 0.00 H new ATOM 314 N ILE A 22 10.063 -3.915 -5.287 1.00 0.00 N ATOM 315 CA ILE A 22 8.837 -3.638 -6.016 1.00 0.00 C ATOM 316 C ILE A 22 8.611 -2.135 -5.891 1.00 0.00 C ATOM 317 O ILE A 22 8.872 -1.536 -4.843 1.00 0.00 O ATOM 318 CB ILE A 22 7.670 -4.543 -5.532 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.583 -4.595 -6.621 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.073 -4.082 -4.198 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.367 -5.501 -6.335 1.00 0.00 C ATOM 0 H ILE A 22 10.001 -3.731 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 22 8.902 -3.889 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 22 8.075 -5.540 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.221 -3.581 -6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.046 -4.928 -7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.263 -4.752 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.846 -4.097 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.686 -3.069 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.673 -5.454 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.703 -6.529 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.865 -5.161 -5.429 1.00 0.00 H new ATOM 333 N GLY A 23 8.163 -1.509 -6.968 1.00 0.00 N ATOM 334 CA GLY A 23 7.737 -0.129 -6.977 1.00 0.00 C ATOM 335 C GLY A 23 6.221 -0.061 -6.929 1.00 0.00 C ATOM 336 O GLY A 23 5.531 -1.029 -7.253 1.00 0.00 O ATOM 0 H GLY A 23 8.086 -1.962 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.161 0.398 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.105 0.369 -7.874 1.00 0.00 H new ATOM 340 N LEU A 24 5.688 1.100 -6.570 1.00 0.00 N ATOM 341 CA LEU A 24 4.267 1.392 -6.500 1.00 0.00 C ATOM 342 C LEU A 24 4.022 2.785 -7.047 1.00 0.00 C ATOM 343 O LEU A 24 4.867 3.677 -6.927 1.00 0.00 O ATOM 344 CB LEU A 24 3.740 1.356 -5.064 1.00 0.00 C ATOM 345 CG LEU A 24 3.789 -0.027 -4.399 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.927 -0.119 -3.382 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.461 -0.300 -3.684 1.00 0.00 C ATOM 0 H LEU A 24 6.264 1.900 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 24 3.748 0.630 -7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.319 2.055 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.709 1.710 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 24 3.961 -0.768 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.932 -1.111 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.879 0.056 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.783 0.632 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.497 -1.282 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.294 0.462 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.646 -0.275 -4.408 1.00 0.00 H new ATOM 359 N ARG A 25 2.813 3.001 -7.560 1.00 0.00 N ATOM 360 CA ARG A 25 2.309 4.320 -7.913 1.00 0.00 C ATOM 361 C ARG A 25 0.888 4.438 -7.387 1.00 0.00 C ATOM 362 O ARG A 25 0.209 3.418 -7.242 1.00 0.00 O ATOM 363 CB ARG A 25 2.369 4.520 -9.436 1.00 0.00 C ATOM 364 CG ARG A 25 1.506 3.478 -10.162 1.00 0.00 C ATOM 365 CD ARG A 25 1.359 3.765 -11.647 1.00 0.00 C ATOM 366 NE ARG A 25 0.182 3.042 -12.133 1.00 0.00 N ATOM 367 CZ ARG A 25 0.003 2.478 -13.322 1.00 0.00 C ATOM 368 NH1 ARG A 25 0.859 2.692 -14.317 1.00 0.00 N ATOM 369 NH2 ARG A 25 -1.058 1.698 -13.482 1.00 0.00 N ATOM 0 H ARG A 25 2.147 2.250 -7.744 1.00 0.00 H new ATOM 0 HA ARG A 25 2.923 5.100 -7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.024 5.523 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.402 4.443 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.949 2.491 -10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.518 3.448 -9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.247 4.835 -11.819 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.251 3.447 -12.187 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.596 2.962 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.668 3.297 -14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.707 2.251 -15.224 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.703 1.549 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.229 1.247 -14.381 1.00 0.00 H new ATOM 383 N TRP A 26 0.425 5.656 -7.145 1.00 0.00 N ATOM 384 CA TRP A 26 -0.971 5.997 -6.912 1.00 0.00 C ATOM 385 C TRP A 26 -1.138 7.518 -7.038 1.00 0.00 C ATOM 386 O TRP A 26 -0.221 8.226 -7.455 1.00 0.00 O ATOM 387 CB TRP A 26 -1.405 5.461 -5.543 1.00 0.00 C ATOM 388 CG TRP A 26 -0.600 5.926 -4.376 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.775 7.079 -3.691 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.453 5.194 -3.677 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.109 7.118 -2.644 1.00 0.00 N ATOM 392 CE2 TRP A 26 0.861 5.970 -2.560 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.065 3.930 -3.822 1.00 0.00 C ATOM 394 CZ2 TRP A 26 1.824 5.517 -1.654 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.051 3.486 -2.924 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.437 4.278 -1.841 1.00 0.00 C ATOM 0 H TRP A 26 1.039 6.469 -7.104 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.619 5.532 -7.656 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.445 5.742 -5.377 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.370 4.372 -5.573 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.496 7.846 -3.931 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.198 7.906 -2.003 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.769 3.290 -4.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.095 6.129 -0.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.515 2.522 -3.073 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.200 3.936 -1.157 1.00 0.00 H new ATOM 407 N THR A 27 -2.309 8.039 -6.674 1.00 0.00 N ATOM 408 CA THR A 27 -2.666 9.445 -6.799 1.00 0.00 C ATOM 409 C THR A 27 -2.626 10.085 -5.402 1.00 0.00 C ATOM 410 O THR A 27 -3.475 9.741 -4.573 1.00 0.00 O ATOM 411 CB THR A 27 -4.021 9.546 -7.514 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.825 9.242 -8.880 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.643 10.936 -7.413 1.00 0.00 C ATOM 0 H THR A 27 -3.056 7.473 -6.272 1.00 0.00 H new ATOM 0 HA THR A 27 -1.959 10.005 -7.411 1.00 0.00 H new ATOM 0 HB THR A 27 -4.703 8.846 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.681 9.300 -9.354 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.599 10.946 -7.937 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.801 11.188 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.974 11.668 -7.865 1.00 0.00 H new ATOM 421 N PRO A 28 -1.617 10.916 -5.073 1.00 0.00 N ATOM 422 CA PRO A 28 -1.566 11.612 -3.797 1.00 0.00 C ATOM 423 C PRO A 28 -2.766 12.563 -3.650 1.00 0.00 C ATOM 424 O PRO A 28 -3.011 13.410 -4.517 1.00 0.00 O ATOM 425 CB PRO A 28 -0.236 12.364 -3.737 1.00 0.00 C ATOM 426 CG PRO A 28 0.353 12.289 -5.139 1.00 0.00 C ATOM 427 CD PRO A 28 -0.529 11.332 -5.938 1.00 0.00 C ATOM 0 HA PRO A 28 -1.627 10.907 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.387 13.400 -3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.435 11.912 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.373 13.275 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.382 11.931 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.916 11.822 -6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.047 10.469 -6.272 1.00 0.00 H new ATOM 435 N LEU A 29 -3.516 12.393 -2.563 1.00 0.00 N ATOM 436 CA LEU A 29 -4.645 13.189 -2.104 1.00 0.00 C ATOM 437 C LEU A 29 -4.120 14.235 -1.133 1.00 0.00 C ATOM 438 O LEU A 29 -3.950 13.938 0.050 1.00 0.00 O ATOM 439 CB LEU A 29 -5.732 12.315 -1.427 1.00 0.00 C ATOM 440 CG LEU A 29 -6.114 11.041 -2.200 1.00 0.00 C ATOM 441 CD1 LEU A 29 -6.319 9.818 -1.305 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.368 11.297 -3.045 1.00 0.00 C ATOM 0 H LEU A 29 -3.328 11.621 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.119 13.666 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.382 12.029 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.628 12.920 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.268 10.806 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.586 8.958 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.397 9.605 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.120 10.018 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.632 10.390 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.194 11.582 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.171 12.101 -3.754 1.00 0.00 H new ATOM 454 N ASN A 30 -3.868 15.459 -1.607 1.00 0.00 N ATOM 455 CA ASN A 30 -3.341 16.570 -0.802 1.00 0.00 C ATOM 456 C ASN A 30 -4.412 17.165 0.126 1.00 0.00 C ATOM 457 O ASN A 30 -4.446 18.376 0.377 1.00 0.00 O ATOM 458 CB ASN A 30 -2.664 17.617 -1.709 1.00 0.00 C ATOM 459 CG ASN A 30 -1.329 17.112 -2.238 1.00 0.00 C ATOM 460 OD1 ASN A 30 -0.572 16.488 -1.502 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.990 17.350 -3.492 1.00 0.00 N ATOM 0 H ASN A 30 -4.028 15.713 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.570 16.182 -0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.321 17.856 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.510 18.540 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.096 17.015 -3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.622 17.869 -4.101 1.00 0.00 H new ATOM 468 N SER A 31 -5.304 16.306 0.617 1.00 0.00 N ATOM 469 CA SER A 31 -6.317 16.555 1.621 1.00 0.00 C ATOM 470 C SER A 31 -5.650 17.090 2.886 1.00 0.00 C ATOM 471 O SER A 31 -4.849 16.377 3.484 1.00 0.00 O ATOM 472 CB SER A 31 -6.998 15.212 1.902 1.00 0.00 C ATOM 473 OG SER A 31 -7.838 14.862 0.817 1.00 0.00 O ATOM 0 H SER A 31 -5.332 15.340 0.290 1.00 0.00 H new ATOM 0 HA SER A 31 -7.047 17.292 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.246 14.438 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.582 15.275 2.820 1.00 0.00 H new ATOM 0 HG SER A 31 -8.269 14.002 1.002 1.00 0.00 H new ATOM 479 N SER A 32 -6.008 18.304 3.316 1.00 0.00 N ATOM 480 CA SER A 32 -5.497 19.030 4.486 1.00 0.00 C ATOM 481 C SER A 32 -5.891 18.381 5.833 1.00 0.00 C ATOM 482 O SER A 32 -6.331 19.048 6.775 1.00 0.00 O ATOM 483 CB SER A 32 -5.989 20.480 4.349 1.00 0.00 C ATOM 484 OG SER A 32 -7.394 20.549 4.124 1.00 0.00 O ATOM 0 H SER A 32 -6.715 18.846 2.819 1.00 0.00 H new ATOM 0 HA SER A 32 -4.408 18.996 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.739 21.034 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.466 20.964 3.524 1.00 0.00 H new ATOM 0 HG SER A 32 -7.667 21.487 4.044 1.00 0.00 H new ATOM 490 N THR A 33 -5.831 17.056 5.912 1.00 0.00 N ATOM 491 CA THR A 33 -6.397 16.243 6.974 1.00 0.00 C ATOM 492 C THR A 33 -5.884 14.802 6.925 1.00 0.00 C ATOM 493 O THR A 33 -5.997 14.098 7.934 1.00 0.00 O ATOM 494 CB THR A 33 -7.937 16.316 6.866 1.00 0.00 C ATOM 495 OG1 THR A 33 -8.457 16.849 8.063 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.682 15.016 6.542 1.00 0.00 C ATOM 0 H THR A 33 -5.362 16.496 5.200 1.00 0.00 H new ATOM 0 HA THR A 33 -6.081 16.632 7.942 1.00 0.00 H new ATOM 0 HB THR A 33 -8.111 16.951 5.997 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.434 16.900 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.753 15.212 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.342 14.632 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.481 14.278 7.319 1.00 0.00 H new ATOM 504 N ILE A 34 -5.357 14.351 5.778 1.00 0.00 N ATOM 505 CA ILE A 34 -4.685 13.069 5.672 1.00 0.00 C ATOM 506 C ILE A 34 -3.567 13.037 6.720 1.00 0.00 C ATOM 507 O ILE A 34 -2.939 14.066 6.988 1.00 0.00 O ATOM 508 CB ILE A 34 -4.202 12.841 4.222 1.00 0.00 C ATOM 509 CG1 ILE A 34 -3.905 11.347 4.027 1.00 0.00 C ATOM 510 CG2 ILE A 34 -2.982 13.704 3.898 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.381 10.961 2.647 1.00 0.00 C ATOM 0 H ILE A 34 -5.390 14.873 4.902 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.358 12.238 5.883 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.987 13.143 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.174 11.038 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.818 10.784 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.668 13.519 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.240 14.757 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.167 13.452 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.203 9.886 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.117 11.231 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.448 11.490 2.451 1.00 0.00 H new ATOM 523 N ILE A 35 -3.307 11.880 7.317 1.00 0.00 N ATOM 524 CA ILE A 35 -2.097 11.688 8.106 1.00 0.00 C ATOM 525 C ILE A 35 -1.023 11.191 7.142 1.00 0.00 C ATOM 526 O ILE A 35 0.045 11.796 7.031 1.00 0.00 O ATOM 527 CB ILE A 35 -2.379 10.743 9.280 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.388 11.394 10.257 1.00 0.00 C ATOM 529 CG2 ILE A 35 -1.107 10.369 10.049 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.578 10.473 10.482 1.00 0.00 C ATOM 0 H ILE A 35 -3.916 11.063 7.270 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.744 12.609 8.569 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.796 9.829 8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.899 11.605 11.208 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.729 12.348 9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.362 9.699 10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.409 9.870 9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.644 11.272 10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.278 10.945 11.171 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.076 10.284 9.531 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.233 9.530 10.905 1.00 0.00 H new ATOM 542 N GLY A 36 -1.338 10.131 6.393 1.00 0.00 N ATOM 543 CA GLY A 36 -0.473 9.559 5.387 1.00 0.00 C ATOM 544 C GLY A 36 -1.107 8.293 4.836 1.00 0.00 C ATOM 545 O GLY A 36 -2.337 8.162 4.840 1.00 0.00 O ATOM 0 H GLY A 36 -2.229 9.642 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.309 10.276 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.503 9.333 5.817 1.00 0.00 H new ATOM 549 N TYR A 37 -0.278 7.367 4.357 1.00 0.00 N ATOM 550 CA TYR A 37 -0.720 6.070 3.878 1.00 0.00 C ATOM 551 C TYR A 37 0.226 5.059 4.520 1.00 0.00 C ATOM 552 O TYR A 37 1.437 5.294 4.582 1.00 0.00 O ATOM 553 CB TYR A 37 -0.696 5.975 2.325 1.00 0.00 C ATOM 554 CG TYR A 37 -1.194 7.193 1.574 1.00 0.00 C ATOM 555 CD1 TYR A 37 -0.387 8.340 1.502 1.00 0.00 C ATOM 556 CD2 TYR A 37 -2.408 7.156 0.871 1.00 0.00 C ATOM 557 CE1 TYR A 37 -0.767 9.446 0.727 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.816 8.271 0.121 1.00 0.00 C ATOM 559 CZ TYR A 37 -2.011 9.430 0.059 1.00 0.00 C ATOM 560 OH TYR A 37 -2.435 10.512 -0.645 1.00 0.00 O ATOM 0 H TYR A 37 0.731 7.504 4.292 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.758 5.882 4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.328 5.773 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.298 5.117 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.542 8.371 2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.027 6.272 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.114 10.302 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.754 8.242 -0.413 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.682 11.121 -0.793 1.00 0.00 H new ATOM 570 N ARG A 38 -0.325 3.961 5.024 1.00 0.00 N ATOM 571 CA ARG A 38 0.403 2.860 5.631 1.00 0.00 C ATOM 572 C ARG A 38 0.510 1.801 4.550 1.00 0.00 C ATOM 573 O ARG A 38 -0.530 1.393 4.020 1.00 0.00 O ATOM 574 CB ARG A 38 -0.431 2.344 6.833 1.00 0.00 C ATOM 575 CG ARG A 38 -0.058 0.959 7.411 1.00 0.00 C ATOM 576 CD ARG A 38 -1.114 -0.135 7.183 1.00 0.00 C ATOM 577 NE ARG A 38 -0.864 -1.333 8.019 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.472 -1.659 9.170 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.404 -0.875 9.696 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.151 -2.764 9.831 1.00 0.00 N ATOM 0 H ARG A 38 -1.334 3.810 5.019 1.00 0.00 H new ATOM 0 HA ARG A 38 1.392 3.139 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.354 3.077 7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.477 2.312 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.883 0.636 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.115 1.061 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.103 0.264 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.118 -0.421 6.131 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.152 -1.981 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.668 -0.010 9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.856 -1.137 10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.429 -3.385 9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.626 -2.992 10.704 1.00 0.00 H new ATOM 594 N ILE A 39 1.718 1.336 4.242 1.00 0.00 N ATOM 595 CA ILE A 39 1.899 0.139 3.442 1.00 0.00 C ATOM 596 C ILE A 39 2.197 -0.989 4.428 1.00 0.00 C ATOM 597 O ILE A 39 2.626 -0.775 5.568 1.00 0.00 O ATOM 598 CB ILE A 39 2.953 0.347 2.317 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.426 1.349 1.262 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.254 -0.967 1.568 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.674 2.824 1.592 1.00 0.00 C ATOM 0 H ILE A 39 2.588 1.777 4.539 1.00 0.00 H new ATOM 0 HA ILE A 39 1.005 -0.124 2.876 1.00 0.00 H new ATOM 0 HB ILE A 39 3.855 0.718 2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.892 1.123 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.354 1.195 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.994 -0.781 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.643 -1.705 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.338 -1.345 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.270 3.448 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.183 3.074 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.746 3.001 1.683 1.00 0.00 H new ATOM 613 N THR A 40 1.897 -2.207 4.013 1.00 0.00 N ATOM 614 CA THR A 40 2.310 -3.444 4.642 1.00 0.00 C ATOM 615 C THR A 40 2.604 -4.442 3.524 1.00 0.00 C ATOM 616 O THR A 40 2.056 -4.353 2.425 1.00 0.00 O ATOM 617 CB THR A 40 1.188 -3.881 5.597 1.00 0.00 C ATOM 618 OG1 THR A 40 1.130 -2.922 6.636 1.00 0.00 O ATOM 619 CG2 THR A 40 1.400 -5.278 6.190 1.00 0.00 C ATOM 0 H THR A 40 1.327 -2.365 3.182 1.00 0.00 H new ATOM 0 HA THR A 40 3.215 -3.352 5.242 1.00 0.00 H new ATOM 0 HB THR A 40 0.256 -3.938 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.741 -2.183 6.434 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.571 -5.521 6.854 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.447 -6.012 5.385 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.333 -5.296 6.753 1.00 0.00 H new ATOM 627 N VAL A 41 3.476 -5.396 3.814 1.00 0.00 N ATOM 628 CA VAL A 41 3.726 -6.588 3.023 1.00 0.00 C ATOM 629 C VAL A 41 3.677 -7.800 3.929 1.00 0.00 C ATOM 630 O VAL A 41 4.204 -7.760 5.045 1.00 0.00 O ATOM 631 CB VAL A 41 4.991 -6.501 2.130 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.626 -6.642 0.658 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.658 -5.102 2.150 1.00 0.00 C ATOM 0 H VAL A 41 4.057 -5.356 4.651 1.00 0.00 H new ATOM 0 HA VAL A 41 2.930 -6.687 2.285 1.00 0.00 H new ATOM 0 HB VAL A 41 5.640 -7.284 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.529 -6.578 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.146 -7.607 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.941 -5.843 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.537 -5.109 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.950 -4.356 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.957 -4.856 3.169 1.00 0.00 H new ATOM 643 N VAL A 42 2.996 -8.844 3.463 1.00 0.00 N ATOM 644 CA VAL A 42 2.983 -10.149 4.120 1.00 0.00 C ATOM 645 C VAL A 42 3.262 -11.213 3.048 1.00 0.00 C ATOM 646 O VAL A 42 3.110 -10.932 1.859 1.00 0.00 O ATOM 647 CB VAL A 42 1.701 -10.346 4.965 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.272 -9.094 5.748 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.513 -10.774 4.126 1.00 0.00 C ATOM 0 H VAL A 42 2.434 -8.808 2.613 1.00 0.00 H new ATOM 0 HA VAL A 42 3.773 -10.240 4.866 1.00 0.00 H new ATOM 0 HB VAL A 42 1.980 -11.131 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.367 -9.312 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.068 -8.803 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.077 -8.279 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.360 -10.898 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.305 -10.013 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.738 -11.719 3.632 1.00 0.00 H new ATOM 659 N ALA A 43 3.617 -12.435 3.441 1.00 0.00 N ATOM 660 CA ALA A 43 3.951 -13.515 2.519 1.00 0.00 C ATOM 661 C ALA A 43 2.653 -14.227 2.156 1.00 0.00 C ATOM 662 O ALA A 43 2.052 -14.845 3.031 1.00 0.00 O ATOM 663 CB ALA A 43 4.951 -14.476 3.172 1.00 0.00 C ATOM 0 H ALA A 43 3.681 -12.705 4.423 1.00 0.00 H new ATOM 0 HA ALA A 43 4.422 -13.126 1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.193 -15.278 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.860 -13.934 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.512 -14.900 4.075 1.00 0.00 H new ATOM 669 N ALA A 44 2.188 -14.089 0.911 1.00 0.00 N ATOM 670 CA ALA A 44 1.010 -14.717 0.297 1.00 0.00 C ATOM 671 C ALA A 44 -0.309 -14.571 1.080 1.00 0.00 C ATOM 672 O ALA A 44 -1.300 -15.240 0.764 1.00 0.00 O ATOM 673 CB ALA A 44 1.331 -16.187 -0.012 1.00 0.00 C ATOM 0 H ALA A 44 2.668 -13.481 0.247 1.00 0.00 H new ATOM 0 HA ALA A 44 0.814 -14.165 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.462 -16.661 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.175 -16.238 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.584 -16.706 0.912 1.00 0.00 H new ATOM 679 N GLY A 45 -0.343 -13.748 2.128 1.00 0.00 N ATOM 680 CA GLY A 45 -1.424 -13.735 3.102 1.00 0.00 C ATOM 681 C GLY A 45 -1.438 -14.987 3.989 1.00 0.00 C ATOM 682 O GLY A 45 -2.409 -15.201 4.709 1.00 0.00 O ATOM 0 H GLY A 45 0.390 -13.066 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.330 -12.850 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.377 -13.654 2.580 1.00 0.00 H new ATOM 686 N GLU A 46 -0.389 -15.812 3.980 1.00 0.00 N ATOM 687 CA GLU A 46 -0.252 -17.047 4.749 1.00 0.00 C ATOM 688 C GLU A 46 0.124 -16.723 6.207 1.00 0.00 C ATOM 689 O GLU A 46 1.012 -17.335 6.795 1.00 0.00 O ATOM 690 CB GLU A 46 0.781 -17.937 4.022 1.00 0.00 C ATOM 691 CG GLU A 46 0.924 -19.373 4.560 1.00 0.00 C ATOM 692 CD GLU A 46 -0.421 -20.077 4.704 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.988 -20.502 3.671 1.00 0.00 O ATOM 694 OE2 GLU A 46 -0.918 -20.234 5.845 1.00 0.00 O ATOM 0 H GLU A 46 0.432 -15.625 3.404 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.191 -17.597 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.509 -17.989 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.755 -17.450 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.562 -19.948 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.423 -19.347 5.529 1.00 0.00 H new ATOM 701 N GLY A 47 -0.504 -15.705 6.799 1.00 0.00 N ATOM 702 CA GLY A 47 -0.280 -15.267 8.167 1.00 0.00 C ATOM 703 C GLY A 47 1.009 -14.470 8.332 1.00 0.00 C ATOM 704 O GLY A 47 0.976 -13.344 8.836 1.00 0.00 O ATOM 0 H GLY A 47 -1.207 -15.146 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.123 -14.656 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.249 -16.138 8.821 1.00 0.00 H new ATOM 708 N ILE A 48 2.121 -15.074 7.919 1.00 0.00 N ATOM 709 CA ILE A 48 3.498 -14.621 7.986 1.00 0.00 C ATOM 710 C ILE A 48 3.600 -13.157 7.528 1.00 0.00 C ATOM 711 O ILE A 48 3.487 -12.893 6.329 1.00 0.00 O ATOM 712 CB ILE A 48 4.371 -15.623 7.190 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.431 -16.954 7.973 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.786 -15.082 6.937 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.147 -18.110 7.270 1.00 0.00 C ATOM 0 H ILE A 48 2.066 -15.994 7.482 1.00 0.00 H new ATOM 0 HA ILE A 48 3.878 -14.613 9.008 1.00 0.00 H new ATOM 0 HB ILE A 48 3.918 -15.781 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.927 -16.771 8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.412 -17.267 8.199 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.362 -15.818 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.725 -14.156 6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.277 -14.887 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.129 -18.992 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.642 -18.333 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.181 -17.829 7.069 1.00 0.00 H new ATOM 727 N PRO A 49 3.782 -12.196 8.455 1.00 0.00 N ATOM 728 CA PRO A 49 3.999 -10.805 8.100 1.00 0.00 C ATOM 729 C PRO A 49 5.421 -10.628 7.557 1.00 0.00 C ATOM 730 O PRO A 49 6.262 -11.523 7.682 1.00 0.00 O ATOM 731 CB PRO A 49 3.788 -10.039 9.410 1.00 0.00 C ATOM 732 CG PRO A 49 4.329 -11.012 10.455 1.00 0.00 C ATOM 733 CD PRO A 49 3.966 -12.384 9.887 1.00 0.00 C ATOM 0 HA PRO A 49 3.328 -10.446 7.320 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.329 -9.093 9.418 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.737 -9.806 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.406 -10.904 10.585 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.872 -10.848 11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.755 -13.109 10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.057 -12.768 10.349 1.00 0.00 H new ATOM 741 N ILE A 50 5.696 -9.436 7.028 1.00 0.00 N ATOM 742 CA ILE A 50 7.046 -8.947 6.802 1.00 0.00 C ATOM 743 C ILE A 50 7.133 -7.657 7.625 1.00 0.00 C ATOM 744 O ILE A 50 7.340 -7.728 8.842 1.00 0.00 O ATOM 745 CB ILE A 50 7.372 -8.818 5.289 1.00 0.00 C ATOM 746 CG1 ILE A 50 6.950 -10.025 4.432 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.844 -8.418 5.068 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.898 -11.196 4.576 1.00 0.00 C ATOM 0 H ILE A 50 4.972 -8.777 6.742 1.00 0.00 H new ATOM 0 HA ILE A 50 7.822 -9.637 7.132 1.00 0.00 H new ATOM 0 HB ILE A 50 6.743 -8.006 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.946 -10.337 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.904 -9.725 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.042 -8.336 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.036 -7.458 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.496 -9.177 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.555 -12.021 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.898 -10.895 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.925 -11.517 5.617 1.00 0.00 H new ATOM 760 N PHE A 51 6.896 -6.492 7.016 1.00 0.00 N ATOM 761 CA PHE A 51 7.133 -5.197 7.639 1.00 0.00 C ATOM 762 C PHE A 51 6.106 -4.176 7.151 1.00 0.00 C ATOM 763 O PHE A 51 5.424 -4.389 6.139 1.00 0.00 O ATOM 764 CB PHE A 51 8.586 -4.756 7.372 1.00 0.00 C ATOM 765 CG PHE A 51 8.827 -3.881 6.153 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.579 -4.365 4.853 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.336 -2.578 6.319 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.828 -3.548 3.737 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.600 -1.770 5.202 1.00 0.00 C ATOM 770 CZ PHE A 51 9.336 -2.248 3.910 1.00 0.00 C ATOM 0 H PHE A 51 6.530 -6.426 6.066 1.00 0.00 H new ATOM 0 HA PHE A 51 7.007 -5.273 8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.944 -4.220 8.251 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.199 -5.652 7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.197 -5.366 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.524 -2.198 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.629 -3.920 2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.007 -0.779 5.338 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.522 -1.620 3.051 1.00 0.00 H new ATOM 780 N GLU A 52 6.023 -3.043 7.844 1.00 0.00 N ATOM 781 CA GLU A 52 5.000 -2.025 7.679 1.00 0.00 C ATOM 782 C GLU A 52 5.713 -0.678 7.648 1.00 0.00 C ATOM 783 O GLU A 52 6.176 -0.208 8.690 1.00 0.00 O ATOM 784 CB GLU A 52 3.962 -2.090 8.820 1.00 0.00 C ATOM 785 CG GLU A 52 3.194 -3.416 8.916 1.00 0.00 C ATOM 786 CD GLU A 52 3.645 -4.348 10.043 1.00 0.00 C ATOM 787 OE1 GLU A 52 4.865 -4.478 10.302 1.00 0.00 O ATOM 788 OE2 GLU A 52 2.751 -4.952 10.681 1.00 0.00 O ATOM 0 H GLU A 52 6.700 -2.803 8.568 1.00 0.00 H new ATOM 0 HA GLU A 52 4.445 -2.181 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.472 -1.912 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.245 -1.280 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.135 -3.196 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.292 -3.944 7.968 1.00 0.00 H new ATOM 795 N ASP A 53 5.856 -0.081 6.463 1.00 0.00 N ATOM 796 CA ASP A 53 6.461 1.241 6.298 1.00 0.00 C ATOM 797 C ASP A 53 5.367 2.258 6.008 1.00 0.00 C ATOM 798 O ASP A 53 4.255 1.904 5.597 1.00 0.00 O ATOM 799 CB ASP A 53 7.538 1.252 5.202 1.00 0.00 C ATOM 800 CG ASP A 53 8.749 2.074 5.653 1.00 0.00 C ATOM 801 OD1 ASP A 53 9.407 1.648 6.627 1.00 0.00 O ATOM 802 OD2 ASP A 53 9.054 3.137 5.059 1.00 0.00 O ATOM 0 H ASP A 53 5.553 -0.504 5.586 1.00 0.00 H new ATOM 0 HA ASP A 53 6.967 1.508 7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.847 0.231 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.127 1.671 4.284 1.00 0.00 H new ATOM 807 N PHE A 54 5.653 3.524 6.248 1.00 0.00 N ATOM 808 CA PHE A 54 4.767 4.636 5.960 1.00 0.00 C ATOM 809 C PHE A 54 5.304 5.361 4.738 1.00 0.00 C ATOM 810 O PHE A 54 6.366 5.039 4.204 1.00 0.00 O ATOM 811 CB PHE A 54 4.703 5.573 7.176 1.00 0.00 C ATOM 812 CG PHE A 54 3.308 5.630 7.734 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.855 4.574 8.541 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.439 6.672 7.364 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.530 4.559 8.992 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.110 6.656 7.813 1.00 0.00 C ATOM 817 CZ PHE A 54 0.666 5.601 8.627 1.00 0.00 C ATOM 0 H PHE A 54 6.538 3.816 6.663 1.00 0.00 H new ATOM 0 HA PHE A 54 3.755 4.285 5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.393 5.226 7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.025 6.573 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.528 3.774 8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.792 7.479 6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.176 3.752 9.616 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.433 7.450 7.535 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.356 5.592 8.977 1.00 0.00 H new ATOM 827 N VAL A 55 4.565 6.359 4.288 1.00 0.00 N ATOM 828 CA VAL A 55 5.102 7.374 3.403 1.00 0.00 C ATOM 829 C VAL A 55 4.926 8.745 4.079 1.00 0.00 C ATOM 830 O VAL A 55 4.397 8.817 5.193 1.00 0.00 O ATOM 831 CB VAL A 55 4.418 7.222 2.032 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.360 6.566 1.025 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.071 6.480 2.046 1.00 0.00 C ATOM 0 H VAL A 55 3.581 6.488 4.525 1.00 0.00 H new ATOM 0 HA VAL A 55 6.171 7.268 3.220 1.00 0.00 H new ATOM 0 HB VAL A 55 4.185 8.243 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.855 6.469 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.251 7.182 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.647 5.578 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.674 6.427 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.215 5.471 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.367 7.015 2.684 1.00 0.00 H new ATOM 843 N ASP A 56 5.273 9.837 3.393 1.00 0.00 N ATOM 844 CA ASP A 56 5.188 11.229 3.863 1.00 0.00 C ATOM 845 C ASP A 56 3.750 11.621 4.252 1.00 0.00 C ATOM 846 O ASP A 56 3.334 11.539 5.406 1.00 0.00 O ATOM 847 CB ASP A 56 5.720 12.143 2.738 1.00 0.00 C ATOM 848 CG ASP A 56 5.872 13.610 3.139 1.00 0.00 C ATOM 849 OD1 ASP A 56 4.860 14.247 3.506 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.016 14.114 3.012 1.00 0.00 O ATOM 0 H ASP A 56 5.641 9.774 2.444 1.00 0.00 H new ATOM 0 HA ASP A 56 5.790 11.342 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.688 11.767 2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.045 12.080 1.885 1.00 0.00 H new ATOM 855 N SER A 57 2.944 11.935 3.243 1.00 0.00 N ATOM 856 CA SER A 57 1.571 12.402 3.190 1.00 0.00 C ATOM 857 C SER A 57 1.182 12.798 1.757 1.00 0.00 C ATOM 858 O SER A 57 -0.009 12.796 1.438 1.00 0.00 O ATOM 859 CB SER A 57 1.341 13.539 4.196 1.00 0.00 C ATOM 860 OG SER A 57 2.256 14.603 3.992 1.00 0.00 O ATOM 0 H SER A 57 3.305 11.851 2.293 1.00 0.00 H new ATOM 0 HA SER A 57 0.913 11.583 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.321 13.911 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.447 13.156 5.211 1.00 0.00 H new ATOM 0 HG SER A 57 3.169 14.248 3.960 1.00 0.00 H new ATOM 866 N SER A 58 2.158 13.041 0.870 1.00 0.00 N ATOM 867 CA SER A 58 1.920 13.379 -0.532 1.00 0.00 C ATOM 868 C SER A 58 2.787 12.632 -1.531 1.00 0.00 C ATOM 869 O SER A 58 3.008 13.078 -2.661 1.00 0.00 O ATOM 870 CB SER A 58 1.876 14.894 -0.708 1.00 0.00 C ATOM 871 OG SER A 58 3.108 15.514 -0.386 1.00 0.00 O ATOM 0 H SER A 58 3.148 13.007 1.115 1.00 0.00 H new ATOM 0 HA SER A 58 0.932 13.000 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.613 15.129 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.089 15.307 -0.077 1.00 0.00 H new ATOM 0 HG SER A 58 3.031 16.482 -0.516 1.00 0.00 H new ATOM 877 N VAL A 59 3.222 11.435 -1.152 1.00 0.00 N ATOM 878 CA VAL A 59 3.925 10.585 -2.099 1.00 0.00 C ATOM 879 C VAL A 59 2.889 10.026 -3.083 1.00 0.00 C ATOM 880 O VAL A 59 1.782 9.653 -2.688 1.00 0.00 O ATOM 881 CB VAL A 59 4.748 9.531 -1.336 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.412 8.530 -2.276 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.855 10.203 -0.518 1.00 0.00 C ATOM 0 H VAL A 59 3.103 11.041 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 59 4.658 11.130 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 59 4.047 9.006 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.981 7.806 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.647 8.010 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.083 9.057 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.426 9.443 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.518 10.754 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.410 10.892 0.200 1.00 0.00 H new ATOM 893 N GLY A 60 3.233 9.978 -4.370 1.00 0.00 N ATOM 894 CA GLY A 60 2.441 9.313 -5.403 1.00 0.00 C ATOM 895 C GLY A 60 3.189 8.146 -6.044 1.00 0.00 C ATOM 896 O GLY A 60 2.666 7.478 -6.929 1.00 0.00 O ATOM 0 H GLY A 60 4.085 10.408 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.510 8.950 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.171 10.036 -6.173 1.00 0.00 H new ATOM 900 N TYR A 61 4.431 7.917 -5.628 1.00 0.00 N ATOM 901 CA TYR A 61 5.330 6.926 -6.188 1.00 0.00 C ATOM 902 C TYR A 61 6.233 6.472 -5.045 1.00 0.00 C ATOM 903 O TYR A 61 6.988 7.284 -4.512 1.00 0.00 O ATOM 904 CB TYR A 61 6.129 7.584 -7.324 1.00 0.00 C ATOM 905 CG TYR A 61 6.922 6.595 -8.140 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.216 6.211 -7.742 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.326 6.012 -9.271 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.893 5.206 -8.454 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.002 5.009 -9.979 1.00 0.00 C ATOM 910 CZ TYR A 61 8.276 4.570 -9.557 1.00 0.00 C ATOM 911 OH TYR A 61 8.872 3.510 -10.172 1.00 0.00 O ATOM 0 H TYR A 61 4.851 8.441 -4.860 1.00 0.00 H new ATOM 0 HA TYR A 61 4.809 6.065 -6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.443 8.119 -7.980 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.808 8.324 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.686 6.686 -6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.348 6.336 -9.594 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.891 4.917 -8.157 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.545 4.569 -10.853 1.00 0.00 H new ATOM 0 HH TYR A 61 8.306 3.199 -10.909 1.00 0.00 H new ATOM 921 N TYR A 62 6.149 5.216 -4.617 1.00 0.00 N ATOM 922 CA TYR A 62 6.798 4.711 -3.406 1.00 0.00 C ATOM 923 C TYR A 62 7.383 3.338 -3.732 1.00 0.00 C ATOM 924 O TYR A 62 6.748 2.580 -4.455 1.00 0.00 O ATOM 925 CB TYR A 62 5.780 4.651 -2.256 1.00 0.00 C ATOM 926 CG TYR A 62 6.217 3.760 -1.103 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.367 4.066 -0.350 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.535 2.556 -0.855 1.00 0.00 C ATOM 929 CE1 TYR A 62 7.862 3.145 0.592 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.020 1.633 0.085 1.00 0.00 C ATOM 931 CZ TYR A 62 7.204 1.914 0.798 1.00 0.00 C ATOM 932 OH TYR A 62 7.723 0.998 1.660 1.00 0.00 O ATOM 0 H TYR A 62 5.615 4.502 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 62 7.602 5.371 -3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.609 5.660 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.828 4.289 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.871 5.010 -0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.625 2.338 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.750 3.382 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.488 0.710 0.262 1.00 0.00 H new ATOM 0 HH TYR A 62 7.145 0.207 1.684 1.00 0.00 H new ATOM 942 N THR A 63 8.566 3.010 -3.218 1.00 0.00 N ATOM 943 CA THR A 63 9.313 1.811 -3.592 1.00 0.00 C ATOM 944 C THR A 63 9.682 1.026 -2.326 1.00 0.00 C ATOM 945 O THR A 63 9.842 1.608 -1.249 1.00 0.00 O ATOM 946 CB THR A 63 10.553 2.220 -4.421 1.00 0.00 C ATOM 947 OG1 THR A 63 10.244 3.265 -5.338 1.00 0.00 O ATOM 948 CG2 THR A 63 11.131 1.064 -5.245 1.00 0.00 C ATOM 0 H THR A 63 9.041 3.580 -2.518 1.00 0.00 H new ATOM 0 HA THR A 63 8.705 1.155 -4.215 1.00 0.00 H new ATOM 0 HB THR A 63 11.286 2.546 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.048 3.503 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.999 1.414 -5.804 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.431 0.256 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.375 0.699 -5.940 1.00 0.00 H new ATOM 956 N VAL A 64 9.830 -0.290 -2.456 1.00 0.00 N ATOM 957 CA VAL A 64 10.100 -1.242 -1.386 1.00 0.00 C ATOM 958 C VAL A 64 11.324 -2.055 -1.811 1.00 0.00 C ATOM 959 O VAL A 64 11.562 -2.192 -3.007 1.00 0.00 O ATOM 960 CB VAL A 64 8.883 -2.171 -1.184 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.866 -2.762 0.226 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.517 -1.508 -1.435 1.00 0.00 C ATOM 0 H VAL A 64 9.760 -0.746 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 64 10.285 -0.728 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 64 9.016 -2.946 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.998 -3.411 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.775 -3.340 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.813 -1.956 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.723 -2.236 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.389 -0.669 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.470 -1.149 -2.463 1.00 0.00 H new ATOM 972 N THR A 65 12.055 -2.640 -0.869 1.00 0.00 N ATOM 973 CA THR A 65 13.186 -3.538 -1.089 1.00 0.00 C ATOM 974 C THR A 65 12.935 -4.782 -0.201 1.00 0.00 C ATOM 975 O THR A 65 11.798 -5.013 0.228 1.00 0.00 O ATOM 976 CB THR A 65 14.494 -2.766 -0.773 1.00 0.00 C ATOM 977 OG1 THR A 65 14.457 -1.422 -1.242 1.00 0.00 O ATOM 978 CG2 THR A 65 15.751 -3.349 -1.426 1.00 0.00 C ATOM 0 H THR A 65 11.865 -2.494 0.122 1.00 0.00 H new ATOM 0 HA THR A 65 13.289 -3.881 -2.118 1.00 0.00 H new ATOM 0 HB THR A 65 14.549 -2.840 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.300 -0.975 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.617 -2.747 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.898 -4.373 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.634 -3.343 -2.510 1.00 0.00 H new ATOM 986 N GLY A 66 13.940 -5.622 0.075 1.00 0.00 N ATOM 987 CA GLY A 66 13.852 -6.647 1.117 1.00 0.00 C ATOM 988 C GLY A 66 12.948 -7.822 0.760 1.00 0.00 C ATOM 989 O GLY A 66 12.632 -8.645 1.623 1.00 0.00 O ATOM 0 H GLY A 66 14.833 -5.609 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.853 -7.023 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.486 -6.186 2.035 1.00 0.00 H new ATOM 993 N LEU A 67 12.480 -7.876 -0.482 1.00 0.00 N ATOM 994 CA LEU A 67 11.660 -8.936 -1.016 1.00 0.00 C ATOM 995 C LEU A 67 12.570 -10.113 -1.369 1.00 0.00 C ATOM 996 O LEU A 67 13.752 -9.924 -1.683 1.00 0.00 O ATOM 997 CB LEU A 67 10.926 -8.343 -2.227 1.00 0.00 C ATOM 998 CG LEU A 67 9.536 -7.829 -1.802 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.129 -6.573 -2.565 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.484 -8.912 -1.995 1.00 0.00 C ATOM 0 H LEU A 67 12.675 -7.146 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 67 10.918 -9.316 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.510 -7.527 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.821 -9.099 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 67 9.602 -7.570 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.143 -6.248 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.855 -5.782 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.098 -6.790 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.509 -8.531 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.448 -9.201 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.740 -9.780 -1.388 1.00 0.00 H new ATOM 1012 N GLU A 68 12.032 -11.327 -1.274 1.00 0.00 N ATOM 1013 CA GLU A 68 12.744 -12.573 -1.467 1.00 0.00 C ATOM 1014 C GLU A 68 11.984 -13.393 -2.525 1.00 0.00 C ATOM 1015 O GLU A 68 10.908 -13.923 -2.230 1.00 0.00 O ATOM 1016 CB GLU A 68 12.957 -13.288 -0.119 1.00 0.00 C ATOM 1017 CG GLU A 68 14.330 -13.970 -0.097 1.00 0.00 C ATOM 1018 CD GLU A 68 14.568 -14.800 1.163 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.231 -16.004 1.195 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.152 -14.302 2.155 1.00 0.00 O ATOM 0 H GLU A 68 11.047 -11.467 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 68 13.752 -12.411 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.886 -12.570 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.172 -14.028 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.423 -14.614 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.108 -13.210 -0.176 1.00 0.00 H new ATOM 1027 N PRO A 69 12.465 -13.427 -3.782 1.00 0.00 N ATOM 1028 CA PRO A 69 11.677 -13.898 -4.911 1.00 0.00 C ATOM 1029 C PRO A 69 11.445 -15.405 -4.869 1.00 0.00 C ATOM 1030 O PRO A 69 12.218 -16.177 -4.298 1.00 0.00 O ATOM 1031 CB PRO A 69 12.445 -13.473 -6.168 1.00 0.00 C ATOM 1032 CG PRO A 69 13.884 -13.377 -5.682 1.00 0.00 C ATOM 1033 CD PRO A 69 13.726 -12.881 -4.250 1.00 0.00 C ATOM 0 HA PRO A 69 10.678 -13.463 -4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.339 -14.203 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.087 -12.519 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.389 -14.342 -5.722 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.470 -12.685 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.554 -13.217 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.719 -11.792 -4.211 1.00 0.00 H new ATOM 1041 N GLY A 70 10.395 -15.842 -5.562 1.00 0.00 N ATOM 1042 CA GLY A 70 9.958 -17.230 -5.617 1.00 0.00 C ATOM 1043 C GLY A 70 8.763 -17.450 -4.702 1.00 0.00 C ATOM 1044 O GLY A 70 7.911 -18.293 -5.003 1.00 0.00 O ATOM 0 H GLY A 70 9.809 -15.218 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.693 -17.493 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.776 -17.887 -5.321 1.00 0.00 H new ATOM 1048 N ILE A 71 8.672 -16.687 -3.615 1.00 0.00 N ATOM 1049 CA ILE A 71 7.498 -16.606 -2.763 1.00 0.00 C ATOM 1050 C ILE A 71 6.584 -15.534 -3.367 1.00 0.00 C ATOM 1051 O ILE A 71 7.013 -14.699 -4.174 1.00 0.00 O ATOM 1052 CB ILE A 71 7.963 -16.365 -1.303 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.375 -17.704 -0.654 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.914 -15.739 -0.367 1.00 0.00 C ATOM 1055 CD1 ILE A 71 9.577 -18.417 -1.271 1.00 0.00 C ATOM 0 H ILE A 71 9.438 -16.093 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 71 6.911 -17.523 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 71 8.785 -15.656 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.590 -17.521 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.520 -18.379 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.342 -15.614 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.612 -14.767 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.043 -16.392 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.768 -19.344 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.368 -18.644 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.454 -17.773 -1.208 1.00 0.00 H new ATOM 1067 N ASP A 72 5.304 -15.602 -3.019 1.00 0.00 N ATOM 1068 CA ASP A 72 4.290 -14.615 -3.365 1.00 0.00 C ATOM 1069 C ASP A 72 4.053 -13.723 -2.149 1.00 0.00 C ATOM 1070 O ASP A 72 4.172 -14.190 -1.017 1.00 0.00 O ATOM 1071 CB ASP A 72 3.032 -15.358 -3.814 1.00 0.00 C ATOM 1072 CG ASP A 72 1.911 -14.417 -4.232 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.241 -13.877 -3.333 1.00 0.00 O ATOM 1074 OD2 ASP A 72 1.650 -14.325 -5.456 1.00 0.00 O ATOM 0 H ASP A 72 4.931 -16.375 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 72 4.603 -13.972 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.281 -16.013 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.682 -15.995 -3.002 1.00 0.00 H new ATOM 1079 N TYR A 73 3.777 -12.436 -2.357 1.00 0.00 N ATOM 1080 CA TYR A 73 3.586 -11.466 -1.286 1.00 0.00 C ATOM 1081 C TYR A 73 2.294 -10.690 -1.579 1.00 0.00 C ATOM 1082 O TYR A 73 2.079 -10.208 -2.699 1.00 0.00 O ATOM 1083 CB TYR A 73 4.790 -10.509 -1.153 1.00 0.00 C ATOM 1084 CG TYR A 73 6.088 -10.992 -0.512 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.843 -12.034 -1.093 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.644 -10.251 0.554 1.00 0.00 C ATOM 1087 CE1 TYR A 73 8.121 -12.353 -0.592 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.940 -10.539 1.025 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.678 -11.609 0.471 1.00 0.00 C ATOM 1090 OH TYR A 73 9.943 -11.876 0.902 1.00 0.00 O ATOM 0 H TYR A 73 3.679 -12.035 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 73 3.507 -11.988 -0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.036 -10.158 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.452 -9.642 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.439 -12.590 -1.926 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.071 -9.458 1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.678 -13.172 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.371 -9.939 1.813 1.00 0.00 H new ATOM 0 HH TYR A 73 10.172 -11.272 1.639 1.00 0.00 H new ATOM 1100 N ASP A 74 1.475 -10.521 -0.539 1.00 0.00 N ATOM 1101 CA ASP A 74 0.318 -9.622 -0.519 1.00 0.00 C ATOM 1102 C ASP A 74 0.935 -8.271 -0.153 1.00 0.00 C ATOM 1103 O ASP A 74 1.480 -8.142 0.950 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.661 -9.963 0.634 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.877 -10.872 0.425 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.196 -11.346 -0.683 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.580 -11.088 1.439 1.00 0.00 O ATOM 0 H ASP A 74 1.602 -11.022 0.341 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.228 -9.670 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.066 -10.412 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.039 -9.015 1.016 1.00 0.00 H new ATOM 1112 N ILE A 75 0.873 -7.267 -1.035 1.00 0.00 N ATOM 1113 CA ILE A 75 1.244 -5.901 -0.677 1.00 0.00 C ATOM 1114 C ILE A 75 -0.059 -5.147 -0.436 1.00 0.00 C ATOM 1115 O ILE A 75 -0.901 -5.047 -1.333 1.00 0.00 O ATOM 1116 CB ILE A 75 2.134 -5.196 -1.727 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.291 -6.063 -2.272 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.618 -3.846 -1.148 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.992 -6.497 -3.707 1.00 0.00 C ATOM 0 H ILE A 75 0.569 -7.379 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 75 1.867 -5.918 0.217 1.00 0.00 H new ATOM 0 HB ILE A 75 1.521 -5.014 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.224 -5.500 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.427 -6.940 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.247 -3.340 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.756 -3.220 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.192 -4.025 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.814 -7.107 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.070 -7.078 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.879 -5.615 -4.338 1.00 0.00 H new ATOM 1131 N SER A 76 -0.239 -4.599 0.762 1.00 0.00 N ATOM 1132 CA SER A 76 -1.428 -3.858 1.141 1.00 0.00 C ATOM 1133 C SER A 76 -1.086 -2.414 1.438 1.00 0.00 C ATOM 1134 O SER A 76 -0.017 -2.111 1.963 1.00 0.00 O ATOM 1135 CB SER A 76 -2.152 -4.588 2.277 1.00 0.00 C ATOM 1136 OG SER A 76 -1.306 -4.867 3.376 1.00 0.00 O ATOM 0 H SER A 76 0.454 -4.661 1.508 1.00 0.00 H new ATOM 0 HA SER A 76 -2.132 -3.818 0.310 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.992 -3.981 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.566 -5.522 1.897 1.00 0.00 H new ATOM 0 HG SER A 76 -1.816 -5.331 4.072 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.985 -1.514 1.051 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.786 -0.077 1.146 1.00 0.00 C ATOM 1144 C VAL A 77 -3.125 0.513 1.598 1.00 0.00 C ATOM 1145 O VAL A 77 -4.157 0.177 1.016 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.318 0.464 -0.225 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -1.045 1.980 -0.183 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.104 -0.311 -0.792 1.00 0.00 C ATOM 0 H VAL A 77 -2.889 -1.771 0.655 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.013 0.199 1.863 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.146 0.296 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.719 2.318 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.957 2.506 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.266 2.189 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.180 0.113 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.734 -0.232 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.370 -1.360 -0.921 1.00 0.00 H new ATOM 1158 N ILE A 78 -3.157 1.341 2.644 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.366 2.036 3.093 1.00 0.00 C ATOM 1160 C ILE A 78 -4.090 3.498 3.429 1.00 0.00 C ATOM 1161 O ILE A 78 -2.977 3.880 3.794 1.00 0.00 O ATOM 1162 CB ILE A 78 -5.086 1.240 4.199 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -6.628 1.368 4.239 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -4.448 1.460 5.544 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -7.210 2.309 5.300 1.00 0.00 C ATOM 0 H ILE A 78 -2.335 1.551 3.210 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.073 2.078 2.265 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.939 0.198 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.968 1.706 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.049 0.375 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.982 0.883 6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.407 1.138 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.492 2.519 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.297 2.312 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.915 1.966 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.832 3.318 5.138 1.00 0.00 H new ATOM 1177 N THR A 79 -5.137 4.306 3.302 1.00 0.00 N ATOM 1178 CA THR A 79 -5.135 5.749 3.448 1.00 0.00 C ATOM 1179 C THR A 79 -5.795 6.082 4.782 1.00 0.00 C ATOM 1180 O THR A 79 -6.961 5.711 4.988 1.00 0.00 O ATOM 1181 CB THR A 79 -5.957 6.353 2.304 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.587 5.866 1.030 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.859 7.880 2.292 1.00 0.00 C ATOM 0 H THR A 79 -6.065 3.944 3.081 1.00 0.00 H new ATOM 0 HA THR A 79 -4.121 6.149 3.419 1.00 0.00 H new ATOM 0 HB THR A 79 -6.984 6.044 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.147 6.286 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.453 8.276 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.236 8.276 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.818 8.177 2.164 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.092 6.795 5.661 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.605 7.186 6.960 1.00 0.00 C ATOM 1193 C LEU A 80 -5.731 8.701 7.001 1.00 0.00 C ATOM 1194 O LEU A 80 -4.807 9.432 6.628 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.726 6.690 8.108 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.202 6.663 7.876 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.493 7.011 9.193 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.756 5.290 7.359 1.00 0.00 C ATOM 0 H LEU A 80 -4.141 7.118 5.483 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.582 6.722 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.923 7.317 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.045 5.680 8.364 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.935 7.399 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.414 6.995 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.799 8.005 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.763 6.280 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.677 5.293 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.014 4.524 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.259 5.075 6.416 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.881 9.170 7.475 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.211 10.582 7.586 1.00 0.00 C ATOM 1212 C ILE A 81 -7.637 10.878 9.025 1.00 0.00 C ATOM 1213 O ILE A 81 -7.745 9.959 9.846 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.280 10.978 6.529 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.697 10.469 6.873 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.907 10.493 5.115 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.816 11.252 6.179 1.00 0.00 C ATOM 0 H ILE A 81 -7.629 8.558 7.801 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.339 11.199 7.368 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.295 12.068 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.774 9.418 6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.842 10.524 7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.683 10.793 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.956 10.936 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.817 9.407 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.782 10.839 6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.766 12.299 6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.697 11.176 5.098 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.936 12.152 9.294 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.674 12.640 10.457 1.00 0.00 C ATOM 1231 C ASN A 82 -9.757 11.637 10.876 1.00 0.00 C ATOM 1232 O ASN A 82 -10.787 11.548 10.202 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.304 13.998 10.095 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.272 14.487 11.161 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -9.900 15.256 12.043 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.509 14.036 11.112 1.00 0.00 N ATOM 0 H ASN A 82 -7.654 12.909 8.672 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.995 12.758 11.301 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.515 14.737 9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.828 13.911 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.186 14.325 11.819 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.790 13.398 10.367 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.511 10.883 11.947 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.414 9.915 12.563 1.00 0.00 C ATOM 1245 C GLY A 83 -10.959 8.843 11.616 1.00 0.00 C ATOM 1246 O GLY A 83 -11.909 8.146 11.984 1.00 0.00 O ATOM 0 H GLY A 83 -8.618 10.936 12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.890 9.422 13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.255 10.453 13.001 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.423 8.713 10.406 1.00 0.00 N ATOM 1251 CA GLY A 84 -11.123 8.113 9.290 1.00 0.00 C ATOM 1252 C GLY A 84 -10.213 7.135 8.566 1.00 0.00 C ATOM 1253 O GLY A 84 -9.006 7.359 8.426 1.00 0.00 O ATOM 0 H GLY A 84 -9.480 9.027 10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.015 7.597 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.457 8.889 8.601 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.822 6.071 8.057 1.00 0.00 N ATOM 1258 CA GLU A 85 -10.180 5.031 7.277 1.00 0.00 C ATOM 1259 C GLU A 85 -10.928 4.845 5.966 1.00 0.00 C ATOM 1260 O GLU A 85 -12.131 5.109 5.847 1.00 0.00 O ATOM 1261 CB GLU A 85 -10.147 3.690 8.025 1.00 0.00 C ATOM 1262 CG GLU A 85 -9.170 3.680 9.206 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.616 2.285 9.500 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -9.332 1.278 9.283 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -7.423 2.202 9.878 1.00 0.00 O ATOM 0 H GLU A 85 -11.820 5.906 8.185 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.152 5.344 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.148 3.460 8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.871 2.899 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.343 4.358 8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.675 4.061 10.094 1.00 0.00 H new ATOM 1272 N SER A 86 -10.182 4.325 5.002 1.00 0.00 N ATOM 1273 CA SER A 86 -10.599 4.019 3.654 1.00 0.00 C ATOM 1274 C SER A 86 -10.705 2.492 3.508 1.00 0.00 C ATOM 1275 O SER A 86 -10.658 1.760 4.502 1.00 0.00 O ATOM 1276 CB SER A 86 -9.600 4.667 2.698 1.00 0.00 C ATOM 1277 OG SER A 86 -9.130 5.907 3.190 1.00 0.00 O ATOM 0 H SER A 86 -9.202 4.092 5.159 1.00 0.00 H new ATOM 0 HA SER A 86 -11.584 4.421 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.756 3.994 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.071 4.817 1.727 1.00 0.00 H new ATOM 0 HG SER A 86 -8.448 5.749 3.876 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.815 1.980 2.283 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.565 0.564 2.035 1.00 0.00 C ATOM 1285 C ALA A 87 -9.058 0.362 1.812 1.00 0.00 C ATOM 1286 O ALA A 87 -8.480 1.120 1.020 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.343 0.115 0.801 1.00 0.00 C ATOM 0 H ALA A 87 -11.073 2.519 1.456 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.891 -0.030 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.155 -0.943 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.409 0.271 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.021 0.696 -0.063 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.411 -0.650 2.418 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.050 -1.050 2.062 1.00 0.00 C ATOM 1295 C PRO A 88 -7.092 -1.569 0.616 1.00 0.00 C ATOM 1296 O PRO A 88 -7.916 -2.428 0.294 1.00 0.00 O ATOM 1297 CB PRO A 88 -6.660 -2.159 3.041 1.00 0.00 C ATOM 1298 CG PRO A 88 -7.995 -2.721 3.507 1.00 0.00 C ATOM 1299 CD PRO A 88 -8.952 -1.538 3.436 1.00 0.00 C ATOM 0 HA PRO A 88 -6.326 -0.237 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.052 -2.923 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.077 -1.769 3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.327 -3.539 2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.927 -3.117 4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.959 -1.865 3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.021 -1.032 4.399 1.00 0.00 H new ATOM 1307 N THR A 89 -6.243 -1.067 -0.273 1.00 0.00 N ATOM 1308 CA THR A 89 -5.993 -1.706 -1.555 1.00 0.00 C ATOM 1309 C THR A 89 -4.890 -2.740 -1.312 1.00 0.00 C ATOM 1310 O THR A 89 -3.728 -2.364 -1.146 1.00 0.00 O ATOM 1311 CB THR A 89 -5.608 -0.669 -2.628 1.00 0.00 C ATOM 1312 OG1 THR A 89 -6.460 0.468 -2.593 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.735 -1.306 -4.012 1.00 0.00 C ATOM 0 H THR A 89 -5.712 -0.209 -0.125 1.00 0.00 H new ATOM 0 HA THR A 89 -6.887 -2.196 -1.940 1.00 0.00 H new ATOM 0 HB THR A 89 -4.585 -0.351 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.260 1.050 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.464 -0.576 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.069 -2.166 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.763 -1.631 -4.170 1.00 0.00 H new ATOM 1321 N THR A 90 -5.241 -4.023 -1.243 1.00 0.00 N ATOM 1322 CA THR A 90 -4.279 -5.116 -1.190 1.00 0.00 C ATOM 1323 C THR A 90 -4.205 -5.717 -2.586 1.00 0.00 C ATOM 1324 O THR A 90 -5.224 -6.161 -3.117 1.00 0.00 O ATOM 1325 CB THR A 90 -4.707 -6.134 -0.124 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.910 -5.490 1.120 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.698 -7.280 0.056 1.00 0.00 C ATOM 0 H THR A 90 -6.212 -4.333 -1.222 1.00 0.00 H new ATOM 0 HA THR A 90 -3.286 -4.772 -0.901 1.00 0.00 H new ATOM 0 HB THR A 90 -5.639 -6.573 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.184 -6.151 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.059 -7.965 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.585 -7.817 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.734 -6.872 0.359 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.022 -5.734 -3.196 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.783 -6.441 -4.446 1.00 0.00 C ATOM 1337 C LEU A 91 -1.637 -7.414 -4.243 1.00 0.00 C ATOM 1338 O LEU A 91 -0.752 -7.185 -3.420 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.567 -5.477 -5.625 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.853 -5.148 -6.397 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -3.531 -4.106 -7.470 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -4.448 -6.372 -7.101 1.00 0.00 C ATOM 0 H LEU A 91 -2.199 -5.254 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.670 -7.012 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.132 -4.551 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.843 -5.914 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.580 -4.782 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.437 -3.864 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.144 -3.204 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.783 -4.507 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.355 -6.082 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.724 -6.770 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.688 -7.136 -6.362 1.00 0.00 H new ATOM 1354 N THR A 92 -1.673 -8.507 -4.993 1.00 0.00 N ATOM 1355 CA THR A 92 -0.904 -9.694 -4.675 1.00 0.00 C ATOM 1356 C THR A 92 -0.203 -10.155 -5.948 1.00 0.00 C ATOM 1357 O THR A 92 -0.748 -10.046 -7.056 1.00 0.00 O ATOM 1358 CB THR A 92 -1.836 -10.715 -4.001 1.00 0.00 C ATOM 1359 OG1 THR A 92 -2.483 -10.058 -2.920 1.00 0.00 O ATOM 1360 CG2 THR A 92 -1.117 -11.967 -3.516 1.00 0.00 C ATOM 0 H THR A 92 -2.237 -8.592 -5.838 1.00 0.00 H new ATOM 0 HA THR A 92 -0.108 -9.521 -3.951 1.00 0.00 H new ATOM 0 HB THR A 92 -2.555 -11.066 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.562 -10.675 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.836 -12.642 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.645 -12.466 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.356 -11.690 -2.787 1.00 0.00 H new ATOM 1368 N GLN A 93 1.066 -10.528 -5.800 1.00 0.00 N ATOM 1369 CA GLN A 93 2.044 -10.587 -6.870 1.00 0.00 C ATOM 1370 C GLN A 93 3.132 -11.566 -6.417 1.00 0.00 C ATOM 1371 O GLN A 93 3.485 -11.597 -5.235 1.00 0.00 O ATOM 1372 CB GLN A 93 2.532 -9.133 -7.104 1.00 0.00 C ATOM 1373 CG GLN A 93 3.723 -8.905 -8.043 1.00 0.00 C ATOM 1374 CD GLN A 93 3.425 -9.308 -9.486 1.00 0.00 C ATOM 1375 OE1 GLN A 93 2.548 -8.747 -10.148 1.00 0.00 O ATOM 1376 NE2 GLN A 93 4.136 -10.295 -10.001 1.00 0.00 N ATOM 0 H GLN A 93 1.450 -10.806 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 93 1.665 -10.953 -7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.690 -8.559 -7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.789 -8.709 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.005 -7.853 -8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.579 -9.474 -7.681 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.858 -10.749 -9.442 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.963 -10.603 -10.958 1.00 0.00 H new ATOM 1385 N GLN A 94 3.674 -12.364 -7.333 1.00 0.00 N ATOM 1386 CA GLN A 94 4.860 -13.166 -7.061 1.00 0.00 C ATOM 1387 C GLN A 94 6.117 -12.398 -7.485 1.00 0.00 C ATOM 1388 O GLN A 94 6.025 -11.508 -8.334 1.00 0.00 O ATOM 1389 CB GLN A 94 4.681 -14.533 -7.724 1.00 0.00 C ATOM 1390 CG GLN A 94 5.669 -15.591 -7.207 1.00 0.00 C ATOM 1391 CD GLN A 94 5.311 -17.008 -7.648 1.00 0.00 C ATOM 1392 OE1 GLN A 94 4.700 -17.231 -8.689 1.00 0.00 O ATOM 1393 NE2 GLN A 94 5.661 -18.004 -6.849 1.00 0.00 N ATOM 0 H GLN A 94 3.305 -12.472 -8.278 1.00 0.00 H new ATOM 0 HA GLN A 94 4.992 -13.354 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.663 -14.882 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.804 -14.426 -8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.671 -15.348 -7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.698 -15.552 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.169 -17.811 -5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.423 -18.964 -7.097 1.00 0.00 H new ATOM 1402 N THR A 95 7.270 -12.789 -6.937 1.00 0.00 N ATOM 1403 CA THR A 95 8.545 -12.084 -7.037 1.00 0.00 C ATOM 1404 C THR A 95 8.361 -10.613 -6.667 1.00 0.00 C ATOM 1405 O THR A 95 8.760 -9.735 -7.458 1.00 0.00 O ATOM 1406 CB THR A 95 9.286 -12.358 -8.364 1.00 0.00 C ATOM 1407 OG1 THR A 95 8.574 -11.921 -9.502 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.588 -13.846 -8.557 1.00 0.00 C ATOM 1409 OXT THR A 95 7.882 -10.376 -5.538 1.00 0.00 O ATOM 0 H THR A 95 7.341 -13.645 -6.387 1.00 0.00 H new ATOM 0 HA THR A 95 9.236 -12.491 -6.299 1.00 0.00 H new ATOM 0 HB THR A 95 10.211 -11.788 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.696 -11.582 -9.228 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.110 -13.992 -9.503 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.215 -14.199 -7.739 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.654 -14.408 -8.567 1.00 0.00 H new TER 1417 THR A 95