USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 757 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 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.277 (180deg=0.0968) USER MOD Single : A 2 HIS :FLIP no HD1:sc= -0.107 F(o=-0.79,f=-0.11) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.3) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.53) USER MOD Single : A 7 HIS : no HD1:sc= -0.0087 X(o=-0.0087,f=-0.15) USER MOD Single : A 13 SER OG : rot 9:sc= 0.84 USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.266) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc=-0.00151 (180deg=-0.0753) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= 0.0859 (180deg=0.0378) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -0.0962 (180deg=-0.667) USER MOD Single : A 45 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -2.55! C(o=-2.6!,f=-2.7!) USER MOD Single : A 52 ASN : amide:sc= -0.992 K(o=-0.99,f=-8.3!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.187 F(o=-1.3,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -5.28! C(o=-5.3!,f=-5.7!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0159 F(o=-0.55,f=-0.016) USER MOD Single : A 68 ASN : amide:sc= -1.86 K(o=-1.9,f=-7.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.43) USER MOD Single : A 78 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.4!) USER MOD Single : A 79 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.048) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -62:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 162.081 21.507 2.132 1.00 0.00 N ATOM 2 CA MET A 1 161.604 22.844 2.572 1.00 0.00 C ATOM 3 C MET A 1 161.400 23.776 1.382 1.00 0.00 C ATOM 4 O MET A 1 160.300 24.281 1.158 1.00 0.00 O ATOM 5 CB MET A 1 162.634 23.436 3.536 1.00 0.00 C ATOM 6 CG MET A 1 162.476 22.952 4.968 1.00 0.00 C ATOM 7 SD MET A 1 163.359 21.412 5.282 1.00 0.00 S ATOM 8 CE MET A 1 163.025 21.179 7.025 1.00 0.00 C ATOM 0 H1 MET A 1 162.572 21.037 2.919 1.00 0.00 H new ATOM 0 H2 MET A 1 161.269 20.929 1.836 1.00 0.00 H new ATOM 0 H3 MET A 1 162.736 21.618 1.332 1.00 0.00 H new ATOM 0 HA MET A 1 160.641 22.734 3.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 163.635 23.184 3.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 162.554 24.523 3.518 1.00 0.00 H new ATOM 0 HG2 MET A 1 162.840 23.721 5.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 161.417 22.810 5.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 163.507 20.264 7.369 1.00 0.00 H new ATOM 0 HE2 MET A 1 163.416 22.027 7.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 161.949 21.104 7.182 1.00 0.00 H new ATOM 20 N HIS A 2 162.468 23.998 0.622 1.00 0.00 N ATOM 21 CA HIS A 2 162.405 24.869 -0.546 1.00 0.00 C ATOM 22 C HIS A 2 161.393 24.347 -1.560 1.00 0.00 C ATOM 23 O HIS A 2 161.060 23.162 -1.567 1.00 0.00 O ATOM 24 CB HIS A 2 163.785 24.983 -1.197 1.00 0.00 C ATOM 25 CG HIS A 2 164.310 23.683 -1.722 1.00 0.00 C ATOM 26 ND1 HIS A 2 164.088 22.410 -1.317 1.00 0.00 N flip ATOM 27 CD2 HIS A 2 165.173 23.597 -2.794 1.00 0.00 C flip ATOM 28 CE1 HIS A 2 164.815 21.588 -2.143 1.00 0.00 C flip ATOM 29 NE2 HIS A 2 165.460 22.328 -3.024 1.00 0.00 N flip ATOM 0 H HIS A 2 163.386 23.587 0.794 1.00 0.00 H new ATOM 0 HA HIS A 2 162.084 25.857 -0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 2 163.733 25.701 -2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 2 164.490 25.382 -0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 2 165.555 24.436 -3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 2 164.852 20.510 -2.081 1.00 0.00 H new ATOM 0 HE2 HIS A 2 166.076 21.980 -3.758 1.00 0.00 H new ATOM 38 N HIS A 3 160.907 25.240 -2.418 1.00 0.00 N ATOM 39 CA HIS A 3 159.933 24.869 -3.437 1.00 0.00 C ATOM 40 C HIS A 3 160.000 25.820 -4.627 1.00 0.00 C ATOM 41 O HIS A 3 159.666 26.999 -4.511 1.00 0.00 O ATOM 42 CB HIS A 3 158.522 24.869 -2.848 1.00 0.00 C ATOM 43 CG HIS A 3 157.650 23.775 -3.383 1.00 0.00 C ATOM 44 ND1 HIS A 3 157.226 22.707 -2.620 1.00 0.00 N ATOM 45 CD2 HIS A 3 157.121 23.588 -4.616 1.00 0.00 C ATOM 46 CE1 HIS A 3 156.476 21.911 -3.359 1.00 0.00 C ATOM 47 NE2 HIS A 3 156.396 22.422 -4.574 1.00 0.00 N ATOM 0 H HIS A 3 161.172 26.225 -2.427 1.00 0.00 H new ATOM 0 HA HIS A 3 160.174 23.864 -3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 3 158.589 24.772 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 3 158.051 25.831 -3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 3 157.246 24.235 -5.472 1.00 0.00 H new ATOM 0 HE1 HIS A 3 156.007 20.997 -3.026 1.00 0.00 H new ATOM 0 HE2 HIS A 3 155.880 22.017 -5.355 1.00 0.00 H new ATOM 56 N HIS A 4 160.435 25.300 -5.770 1.00 0.00 N ATOM 57 CA HIS A 4 160.546 26.103 -6.981 1.00 0.00 C ATOM 58 C HIS A 4 160.501 25.222 -8.226 1.00 0.00 C ATOM 59 O HIS A 4 159.541 25.266 -8.996 1.00 0.00 O ATOM 60 CB HIS A 4 161.843 26.914 -6.964 1.00 0.00 C ATOM 61 CG HIS A 4 161.841 28.024 -5.961 1.00 0.00 C ATOM 62 ND1 HIS A 4 162.738 28.097 -4.915 1.00 0.00 N ATOM 63 CD2 HIS A 4 161.043 29.113 -5.844 1.00 0.00 C ATOM 64 CE1 HIS A 4 162.492 29.180 -4.200 1.00 0.00 C ATOM 65 NE2 HIS A 4 161.469 29.815 -4.744 1.00 0.00 N ATOM 0 H HIS A 4 160.716 24.326 -5.882 1.00 0.00 H new ATOM 0 HA HIS A 4 159.698 26.787 -7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 4 162.677 26.245 -6.752 1.00 0.00 H new ATOM 0 HB3 HIS A 4 162.014 27.332 -7.956 1.00 0.00 H new ATOM 0 HD2 HIS A 4 160.224 29.379 -6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 4 163.035 29.493 -3.320 1.00 0.00 H new ATOM 0 HE2 HIS A 4 161.062 30.686 -4.402 1.00 0.00 H new ATOM 74 N HIS A 5 161.545 24.420 -8.415 1.00 0.00 N ATOM 75 CA HIS A 5 161.623 23.528 -9.565 1.00 0.00 C ATOM 76 C HIS A 5 162.424 22.274 -9.227 1.00 0.00 C ATOM 77 O HIS A 5 163.588 22.147 -9.607 1.00 0.00 O ATOM 78 CB HIS A 5 162.260 24.249 -10.754 1.00 0.00 C ATOM 79 CG HIS A 5 161.796 23.740 -12.083 1.00 0.00 C ATOM 80 ND1 HIS A 5 162.484 22.789 -12.807 1.00 0.00 N ATOM 81 CD2 HIS A 5 160.703 24.051 -12.820 1.00 0.00 C ATOM 82 CE1 HIS A 5 161.837 22.540 -13.932 1.00 0.00 C ATOM 83 NE2 HIS A 5 160.753 23.292 -13.962 1.00 0.00 N ATOM 0 H HIS A 5 162.347 24.370 -7.787 1.00 0.00 H new ATOM 0 HA HIS A 5 160.609 23.229 -9.831 1.00 0.00 H new ATOM 0 HB2 HIS A 5 162.037 25.314 -10.684 1.00 0.00 H new ATOM 0 HB3 HIS A 5 163.343 24.145 -10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 5 159.935 24.764 -12.558 1.00 0.00 H new ATOM 0 HE1 HIS A 5 162.143 21.841 -14.696 1.00 0.00 H new ATOM 0 HE2 HIS A 5 160.063 23.307 -14.713 1.00 0.00 H new ATOM 92 N HIS A 6 161.792 21.351 -8.510 1.00 0.00 N ATOM 93 CA HIS A 6 162.445 20.106 -8.120 1.00 0.00 C ATOM 94 C HIS A 6 161.414 19.031 -7.793 1.00 0.00 C ATOM 95 O HIS A 6 161.375 17.979 -8.432 1.00 0.00 O ATOM 96 CB HIS A 6 163.357 20.342 -6.913 1.00 0.00 C ATOM 97 CG HIS A 6 164.804 20.472 -7.275 1.00 0.00 C ATOM 98 ND1 HIS A 6 165.432 21.688 -7.443 1.00 0.00 N ATOM 99 CD2 HIS A 6 165.750 19.529 -7.500 1.00 0.00 C ATOM 100 CE1 HIS A 6 166.699 21.488 -7.756 1.00 0.00 C ATOM 101 NE2 HIS A 6 166.918 20.187 -7.797 1.00 0.00 N ATOM 0 H HIS A 6 160.829 21.441 -8.187 1.00 0.00 H new ATOM 0 HA HIS A 6 163.048 19.761 -8.960 1.00 0.00 H new ATOM 0 HB2 HIS A 6 163.037 21.247 -6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 6 163.239 19.516 -6.211 1.00 0.00 H new ATOM 0 HD2 HIS A 6 165.611 18.459 -7.454 1.00 0.00 H new ATOM 0 HE1 HIS A 6 167.432 22.258 -7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 6 167.810 19.743 -8.014 1.00 0.00 H new ATOM 110 N HIS A 7 160.579 19.301 -6.795 1.00 0.00 N ATOM 111 CA HIS A 7 159.548 18.357 -6.383 1.00 0.00 C ATOM 112 C HIS A 7 158.267 18.565 -7.186 1.00 0.00 C ATOM 113 O HIS A 7 157.614 19.603 -7.074 1.00 0.00 O ATOM 114 CB HIS A 7 159.256 18.507 -4.889 1.00 0.00 C ATOM 115 CG HIS A 7 158.876 17.222 -4.221 1.00 0.00 C ATOM 116 ND1 HIS A 7 159.681 16.103 -4.228 1.00 0.00 N ATOM 117 CD2 HIS A 7 157.768 16.881 -3.520 1.00 0.00 C ATOM 118 CE1 HIS A 7 159.085 15.130 -3.562 1.00 0.00 C ATOM 119 NE2 HIS A 7 157.923 15.577 -3.122 1.00 0.00 N ATOM 0 H HIS A 7 160.597 20.167 -6.256 1.00 0.00 H new ATOM 0 HA HIS A 7 159.917 17.349 -6.575 1.00 0.00 H new ATOM 0 HB2 HIS A 7 160.136 18.917 -4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 7 158.450 19.229 -4.755 1.00 0.00 H new ATOM 0 HD2 HIS A 7 156.920 17.517 -3.313 1.00 0.00 H new ATOM 0 HE1 HIS A 7 159.481 14.138 -3.404 1.00 0.00 H new ATOM 0 HE2 HIS A 7 157.250 15.040 -2.575 1.00 0.00 H new ATOM 128 N LEU A 8 157.914 17.572 -7.996 1.00 0.00 N ATOM 129 CA LEU A 8 156.712 17.646 -8.818 1.00 0.00 C ATOM 130 C LEU A 8 155.462 17.717 -7.947 1.00 0.00 C ATOM 131 O LEU A 8 155.527 17.532 -6.733 1.00 0.00 O ATOM 132 CB LEU A 8 156.631 16.436 -9.750 1.00 0.00 C ATOM 133 CG LEU A 8 157.349 16.602 -11.091 1.00 0.00 C ATOM 134 CD1 LEU A 8 156.707 17.714 -11.905 1.00 0.00 C ATOM 135 CD2 LEU A 8 158.827 16.884 -10.870 1.00 0.00 C ATOM 0 H LEU A 8 158.444 16.707 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 8 156.767 18.554 -9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 8 157.050 15.571 -9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 8 155.581 16.214 -9.942 1.00 0.00 H new ATOM 0 HG LEU A 8 157.257 15.671 -11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 8 157.230 17.818 -12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 8 155.661 17.471 -12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 8 156.769 18.652 -11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 8 159.323 16.999 -11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 8 158.940 17.801 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 159.278 16.054 -10.326 1.00 0.00 H new ATOM 147 N VAL A 9 154.322 17.986 -8.577 1.00 0.00 N ATOM 148 CA VAL A 9 153.057 18.081 -7.860 1.00 0.00 C ATOM 149 C VAL A 9 152.371 16.719 -7.774 1.00 0.00 C ATOM 150 O VAL A 9 152.365 15.959 -8.742 1.00 0.00 O ATOM 151 CB VAL A 9 152.102 19.083 -8.537 1.00 0.00 C ATOM 152 CG1 VAL A 9 150.885 19.339 -7.661 1.00 0.00 C ATOM 153 CG2 VAL A 9 152.824 20.384 -8.850 1.00 0.00 C ATOM 0 H VAL A 9 154.250 18.142 -9.582 1.00 0.00 H new ATOM 0 HA VAL A 9 153.288 18.433 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 9 151.760 18.649 -9.477 1.00 0.00 H new ATOM 0 HG11 VAL A 9 150.223 20.049 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 9 150.353 18.402 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 9 151.206 19.749 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 9 152.132 21.078 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 9 153.199 20.824 -7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 9 153.659 20.184 -9.521 1.00 0.00 H new ATOM 163 N PRO A 10 151.781 16.389 -6.610 1.00 0.00 N ATOM 164 CA PRO A 10 151.093 15.108 -6.412 1.00 0.00 C ATOM 165 C PRO A 10 150.057 14.832 -7.496 1.00 0.00 C ATOM 166 O PRO A 10 149.991 13.729 -8.039 1.00 0.00 O ATOM 167 CB PRO A 10 150.411 15.277 -5.052 1.00 0.00 C ATOM 168 CG PRO A 10 151.232 16.295 -4.341 1.00 0.00 C ATOM 169 CD PRO A 10 151.739 17.233 -5.401 1.00 0.00 C ATOM 0 HA PRO A 10 151.783 14.265 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 10 149.379 15.609 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 10 150.384 14.336 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 10 150.636 16.829 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 10 152.059 15.826 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 10 151.077 18.089 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 10 152.724 17.627 -5.151 1.00 0.00 H new ATOM 177 N ARG A 11 149.249 15.841 -7.807 1.00 0.00 N ATOM 178 CA ARG A 11 148.215 15.706 -8.827 1.00 0.00 C ATOM 179 C ARG A 11 147.197 14.638 -8.432 1.00 0.00 C ATOM 180 O ARG A 11 146.606 13.981 -9.289 1.00 0.00 O ATOM 181 CB ARG A 11 148.845 15.357 -10.179 1.00 0.00 C ATOM 182 CG ARG A 11 148.855 16.517 -11.162 1.00 0.00 C ATOM 183 CD ARG A 11 149.603 16.165 -12.438 1.00 0.00 C ATOM 184 NE ARG A 11 150.750 17.042 -12.660 1.00 0.00 N ATOM 185 CZ ARG A 11 150.657 18.273 -13.157 1.00 0.00 C ATOM 186 NH1 ARG A 11 149.474 18.777 -13.485 1.00 0.00 N ATOM 187 NH2 ARG A 11 151.751 19.003 -13.327 1.00 0.00 N ATOM 0 H ARG A 11 149.290 16.761 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 11 147.696 16.661 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 11 149.869 15.020 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 11 148.300 14.522 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 11 147.830 16.796 -11.406 1.00 0.00 H new ATOM 0 HG3 ARG A 11 149.320 17.386 -10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 11 149.942 15.131 -12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 11 148.924 16.235 -13.287 1.00 0.00 H new ATOM 0 HE ARG A 11 151.677 16.690 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 11 148.629 18.220 -13.357 1.00 0.00 H new ATOM 0 HH12 ARG A 11 149.410 19.721 -13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 11 152.663 18.621 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 11 151.680 19.947 -13.708 1.00 0.00 H new ATOM 201 N GLY A 12 146.999 14.471 -7.128 1.00 0.00 N ATOM 202 CA GLY A 12 146.053 13.484 -6.643 1.00 0.00 C ATOM 203 C GLY A 12 146.454 12.909 -5.298 1.00 0.00 C ATOM 204 O GLY A 12 146.337 13.577 -4.271 1.00 0.00 O ATOM 0 H GLY A 12 147.477 15.001 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 12 145.067 13.940 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 12 145.970 12.676 -7.370 1.00 0.00 H new ATOM 208 N SER A 13 146.927 11.668 -5.305 1.00 0.00 N ATOM 209 CA SER A 13 147.347 11.003 -4.077 1.00 0.00 C ATOM 210 C SER A 13 148.089 9.707 -4.387 1.00 0.00 C ATOM 211 O SER A 13 147.475 8.696 -4.734 1.00 0.00 O ATOM 212 CB SER A 13 146.135 10.711 -3.190 1.00 0.00 C ATOM 213 OG SER A 13 145.665 11.892 -2.563 1.00 0.00 O ATOM 0 H SER A 13 147.029 11.102 -6.147 1.00 0.00 H new ATOM 0 HA SER A 13 148.025 11.671 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 13 145.338 10.273 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 13 146.404 9.975 -2.432 1.00 0.00 H new ATOM 0 HG SER A 13 146.124 12.670 -2.944 1.00 0.00 H new ATOM 219 N ILE A 14 149.411 9.742 -4.260 1.00 0.00 N ATOM 220 CA ILE A 14 150.236 8.570 -4.527 1.00 0.00 C ATOM 221 C ILE A 14 151.167 8.274 -3.356 1.00 0.00 C ATOM 222 O ILE A 14 151.020 7.259 -2.675 1.00 0.00 O ATOM 223 CB ILE A 14 151.078 8.755 -5.804 1.00 0.00 C ATOM 224 CG1 ILE A 14 150.190 9.197 -6.969 1.00 0.00 C ATOM 225 CG2 ILE A 14 151.810 7.466 -6.149 1.00 0.00 C ATOM 226 CD1 ILE A 14 149.161 8.163 -7.369 1.00 0.00 C ATOM 0 H ILE A 14 149.934 10.570 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 14 149.556 7.730 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 14 151.819 9.533 -5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 14 149.679 10.120 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 14 150.819 9.424 -7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 14 152.400 7.614 -7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 14 152.470 7.191 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 14 151.085 6.669 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 14 148.567 8.543 -8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 14 149.666 7.246 -7.673 1.00 0.00 H new ATOM 0 HD13 ILE A 14 148.508 7.953 -6.522 1.00 0.00 H new ATOM 238 N LEU A 15 152.125 9.167 -3.128 1.00 0.00 N ATOM 239 CA LEU A 15 153.080 8.999 -2.040 1.00 0.00 C ATOM 240 C LEU A 15 152.378 9.056 -0.687 1.00 0.00 C ATOM 241 O LEU A 15 152.630 8.231 0.191 1.00 0.00 O ATOM 242 CB LEU A 15 154.163 10.078 -2.113 1.00 0.00 C ATOM 243 CG LEU A 15 155.198 9.882 -3.222 1.00 0.00 C ATOM 244 CD1 LEU A 15 156.012 8.619 -2.979 1.00 0.00 C ATOM 245 CD2 LEU A 15 154.517 9.830 -4.581 1.00 0.00 C ATOM 0 H LEU A 15 152.260 10.013 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 15 153.546 8.019 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 15 153.681 11.046 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 15 154.682 10.116 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 15 155.880 10.733 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 15 156.743 8.497 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 15 156.530 8.698 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 15 155.347 7.755 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 15 155.268 9.690 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 15 153.812 8.999 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 15 153.983 10.764 -4.756 1.00 0.00 H new ATOM 257 N LYS A 16 151.495 10.035 -0.526 1.00 0.00 N ATOM 258 CA LYS A 16 150.754 10.199 0.720 1.00 0.00 C ATOM 259 C LYS A 16 149.900 8.969 1.011 1.00 0.00 C ATOM 260 O LYS A 16 149.657 8.628 2.168 1.00 0.00 O ATOM 261 CB LYS A 16 149.868 11.444 0.649 1.00 0.00 C ATOM 262 CG LYS A 16 148.897 11.434 -0.520 1.00 0.00 C ATOM 263 CD LYS A 16 148.564 12.845 -0.979 1.00 0.00 C ATOM 264 CE LYS A 16 149.706 13.458 -1.776 1.00 0.00 C ATOM 265 NZ LYS A 16 150.390 14.543 -1.020 1.00 0.00 N ATOM 0 H LYS A 16 151.275 10.727 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 16 151.474 10.319 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 16 149.304 11.532 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 16 150.502 12.327 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 16 149.329 10.873 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 147.981 10.919 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 16 147.662 12.826 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 16 148.348 13.469 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 16 150.428 12.682 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 16 149.321 13.856 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 151.406 14.533 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 149.986 15.462 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 150.257 14.393 0.000 1.00 0.00 H new ATOM 279 N GLU A 17 149.449 8.306 -0.049 1.00 0.00 N ATOM 280 CA GLU A 17 148.623 7.113 0.088 1.00 0.00 C ATOM 281 C GLU A 17 149.421 5.966 0.700 1.00 0.00 C ATOM 282 O GLU A 17 148.874 5.125 1.413 1.00 0.00 O ATOM 283 CB GLU A 17 148.067 6.693 -1.274 1.00 0.00 C ATOM 284 CG GLU A 17 147.038 5.577 -1.194 1.00 0.00 C ATOM 285 CD GLU A 17 145.614 6.091 -1.271 1.00 0.00 C ATOM 286 OE1 GLU A 17 145.396 7.144 -1.906 1.00 0.00 O ATOM 287 OE2 GLU A 17 144.716 5.440 -0.696 1.00 0.00 O ATOM 0 H GLU A 17 149.642 8.576 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 17 147.793 7.350 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 17 147.614 7.560 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 17 148.892 6.371 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 147.210 4.870 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 17 147.173 5.030 -0.261 1.00 0.00 H new ATOM 294 N VAL A 18 150.719 5.939 0.414 1.00 0.00 N ATOM 295 CA VAL A 18 151.594 4.896 0.935 1.00 0.00 C ATOM 296 C VAL A 18 151.893 5.115 2.415 1.00 0.00 C ATOM 297 O VAL A 18 152.155 4.165 3.153 1.00 0.00 O ATOM 298 CB VAL A 18 152.924 4.840 0.158 1.00 0.00 C ATOM 299 CG1 VAL A 18 153.741 3.629 0.583 1.00 0.00 C ATOM 300 CG2 VAL A 18 152.664 4.818 -1.341 1.00 0.00 C ATOM 0 H VAL A 18 151.187 6.627 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 18 151.067 3.950 0.810 1.00 0.00 H new ATOM 0 HB VAL A 18 153.499 5.736 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 18 154.676 3.607 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 18 153.957 3.692 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 18 153.175 2.719 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 18 153.614 4.778 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 18 152.069 3.941 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 18 152.123 5.719 -1.630 1.00 0.00 H new ATOM 310 N THR A 19 151.851 6.373 2.845 1.00 0.00 N ATOM 311 CA THR A 19 152.117 6.714 4.237 1.00 0.00 C ATOM 312 C THR A 19 150.928 6.358 5.124 1.00 0.00 C ATOM 313 O THR A 19 151.093 6.050 6.306 1.00 0.00 O ATOM 314 CB THR A 19 152.435 8.204 4.367 1.00 0.00 C ATOM 315 OG1 THR A 19 153.336 8.615 3.354 1.00 0.00 O ATOM 316 CG2 THR A 19 153.046 8.573 5.701 1.00 0.00 C ATOM 0 H THR A 19 151.635 7.172 2.249 1.00 0.00 H new ATOM 0 HA THR A 19 152.979 6.134 4.567 1.00 0.00 H new ATOM 0 HB THR A 19 151.475 8.712 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 19 153.526 9.571 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 19 153.246 9.644 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 19 152.353 8.315 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 19 153.979 8.026 5.838 1.00 0.00 H new ATOM 324 N SER A 20 149.731 6.403 4.550 1.00 0.00 N ATOM 325 CA SER A 20 148.516 6.085 5.290 1.00 0.00 C ATOM 326 C SER A 20 148.298 4.578 5.363 1.00 0.00 C ATOM 327 O SER A 20 147.869 4.051 6.390 1.00 0.00 O ATOM 328 CB SER A 20 147.306 6.755 4.638 1.00 0.00 C ATOM 329 OG SER A 20 146.185 6.743 5.505 1.00 0.00 O ATOM 0 H SER A 20 149.576 6.657 3.574 1.00 0.00 H new ATOM 0 HA SER A 20 148.631 6.466 6.305 1.00 0.00 H new ATOM 0 HB2 SER A 20 147.554 7.783 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 20 147.057 6.239 3.710 1.00 0.00 H new ATOM 0 HG SER A 20 145.426 7.179 5.064 1.00 0.00 H new ATOM 335 N VAL A 21 148.592 3.889 4.265 1.00 0.00 N ATOM 336 CA VAL A 21 148.426 2.444 4.201 1.00 0.00 C ATOM 337 C VAL A 21 149.433 1.730 5.097 1.00 0.00 C ATOM 338 O VAL A 21 149.096 0.764 5.780 1.00 0.00 O ATOM 339 CB VAL A 21 148.580 1.929 2.757 1.00 0.00 C ATOM 340 CG1 VAL A 21 147.512 2.531 1.857 1.00 0.00 C ATOM 341 CG2 VAL A 21 149.971 2.237 2.225 1.00 0.00 C ATOM 0 H VAL A 21 148.947 4.310 3.407 1.00 0.00 H new ATOM 0 HA VAL A 21 147.418 2.225 4.554 1.00 0.00 H new ATOM 0 HB VAL A 21 148.449 0.847 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 21 147.638 2.155 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 21 146.525 2.253 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 21 147.607 3.617 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 21 150.061 1.866 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 150.134 3.315 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 21 150.717 1.752 2.854 1.00 0.00 H new ATOM 351 N VAL A 22 150.674 2.209 5.084 1.00 0.00 N ATOM 352 CA VAL A 22 151.731 1.613 5.891 1.00 0.00 C ATOM 353 C VAL A 22 151.426 1.740 7.382 1.00 0.00 C ATOM 354 O VAL A 22 151.584 0.783 8.141 1.00 0.00 O ATOM 355 CB VAL A 22 153.097 2.266 5.596 1.00 0.00 C ATOM 356 CG1 VAL A 22 153.068 3.749 5.935 1.00 0.00 C ATOM 357 CG2 VAL A 22 154.206 1.558 6.360 1.00 0.00 C ATOM 0 H VAL A 22 150.971 3.008 4.523 1.00 0.00 H new ATOM 0 HA VAL A 22 151.777 0.557 5.624 1.00 0.00 H new ATOM 0 HB VAL A 22 153.301 2.166 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 22 154.041 4.191 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 22 152.304 4.244 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 22 152.838 3.876 6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 22 155.161 2.034 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 22 154.009 1.622 7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 22 154.244 0.511 6.060 1.00 0.00 H new ATOM 367 N GLU A 23 150.991 2.925 7.794 1.00 0.00 N ATOM 368 CA GLU A 23 150.667 3.176 9.194 1.00 0.00 C ATOM 369 C GLU A 23 149.494 2.312 9.647 1.00 0.00 C ATOM 370 O GLU A 23 149.449 1.861 10.791 1.00 0.00 O ATOM 371 CB GLU A 23 150.338 4.654 9.404 1.00 0.00 C ATOM 372 CG GLU A 23 149.159 5.138 8.576 1.00 0.00 C ATOM 373 CD GLU A 23 148.702 6.529 8.969 1.00 0.00 C ATOM 374 OE1 GLU A 23 149.562 7.349 9.358 1.00 0.00 O ATOM 375 OE2 GLU A 23 147.485 6.800 8.889 1.00 0.00 O ATOM 0 H GLU A 23 150.854 3.727 7.179 1.00 0.00 H new ATOM 0 HA GLU A 23 151.538 2.915 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.124 4.824 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.215 5.252 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 23 149.435 5.135 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 23 148.329 4.441 8.691 1.00 0.00 H new ATOM 382 N GLN A 24 148.545 2.089 8.744 1.00 0.00 N ATOM 383 CA GLN A 24 147.370 1.281 9.052 1.00 0.00 C ATOM 384 C GLN A 24 147.668 -0.205 8.881 1.00 0.00 C ATOM 385 O GLN A 24 147.094 -1.046 9.573 1.00 0.00 O ATOM 386 CB GLN A 24 146.199 1.684 8.155 1.00 0.00 C ATOM 387 CG GLN A 24 145.670 3.082 8.435 1.00 0.00 C ATOM 388 CD GLN A 24 144.162 3.115 8.597 1.00 0.00 C ATOM 389 OE1 GLN A 24 143.428 3.344 7.636 1.00 0.00 O ATOM 390 NE2 GLN A 24 143.693 2.886 9.819 1.00 0.00 N ATOM 0 H GLN A 24 148.566 2.456 7.793 1.00 0.00 H new ATOM 0 HA GLN A 24 147.101 1.461 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 24 146.514 1.626 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 24 145.389 0.966 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 24 146.137 3.468 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 24 145.958 3.745 7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 24 144.339 2.700 10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 24 142.687 2.896 9.989 1.00 0.00 H new ATOM 399 N ALA A 25 148.566 -0.521 7.955 1.00 0.00 N ATOM 400 CA ALA A 25 148.937 -1.906 7.692 1.00 0.00 C ATOM 401 C ALA A 25 149.670 -2.521 8.880 1.00 0.00 C ATOM 402 O ALA A 25 149.697 -3.740 9.037 1.00 0.00 O ATOM 403 CB ALA A 25 149.796 -1.994 6.439 1.00 0.00 C ATOM 0 H ALA A 25 149.050 0.163 7.374 1.00 0.00 H new ATOM 0 HA ALA A 25 148.020 -2.473 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 25 150.066 -3.034 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 25 149.237 -1.608 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 25 150.702 -1.403 6.577 1.00 0.00 H new ATOM 409 N TRP A 26 150.261 -1.673 9.716 1.00 0.00 N ATOM 410 CA TRP A 26 150.991 -2.144 10.890 1.00 0.00 C ATOM 411 C TRP A 26 150.086 -2.193 12.120 1.00 0.00 C ATOM 412 O TRP A 26 150.568 -2.182 13.253 1.00 0.00 O ATOM 413 CB TRP A 26 152.195 -1.238 11.161 1.00 0.00 C ATOM 414 CG TRP A 26 153.491 -1.984 11.253 1.00 0.00 C ATOM 415 CD1 TRP A 26 154.167 -2.319 12.392 1.00 0.00 C ATOM 416 CD2 TRP A 26 154.272 -2.487 10.162 1.00 0.00 C ATOM 417 NE1 TRP A 26 155.317 -2.999 12.075 1.00 0.00 N ATOM 418 CE2 TRP A 26 155.403 -3.114 10.712 1.00 0.00 C ATOM 419 CE3 TRP A 26 154.125 -2.470 8.773 1.00 0.00 C ATOM 420 CZ2 TRP A 26 156.375 -3.714 9.918 1.00 0.00 C ATOM 421 CZ3 TRP A 26 155.092 -3.066 7.995 1.00 0.00 C ATOM 422 CH2 TRP A 26 156.200 -3.680 8.567 1.00 0.00 C ATOM 0 H TRP A 26 150.249 -0.659 9.604 1.00 0.00 H new ATOM 0 HA TRP A 26 151.342 -3.156 10.686 1.00 0.00 H new ATOM 0 HB2 TRP A 26 152.267 -0.495 10.367 1.00 0.00 H new ATOM 0 HB3 TRP A 26 152.030 -0.695 12.092 1.00 0.00 H new ATOM 0 HD1 TRP A 26 153.844 -2.083 13.395 1.00 0.00 H new ATOM 0 HE1 TRP A 26 155.997 -3.360 12.745 1.00 0.00 H new ATOM 0 HE3 TRP A 26 153.268 -1.997 8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 157.239 -4.191 10.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 154.988 -3.056 6.920 1.00 0.00 H new ATOM 0 HH2 TRP A 26 156.938 -4.140 7.927 1.00 0.00 H new ATOM 433 N LYS A 27 148.777 -2.245 11.893 1.00 0.00 N ATOM 434 CA LYS A 27 147.813 -2.296 12.987 1.00 0.00 C ATOM 435 C LYS A 27 147.108 -3.649 13.036 1.00 0.00 C ATOM 436 O LYS A 27 146.591 -4.050 14.079 1.00 0.00 O ATOM 437 CB LYS A 27 146.782 -1.176 12.834 1.00 0.00 C ATOM 438 CG LYS A 27 147.378 0.219 12.940 1.00 0.00 C ATOM 439 CD LYS A 27 147.702 0.578 14.382 1.00 0.00 C ATOM 440 CE LYS A 27 147.696 2.082 14.596 1.00 0.00 C ATOM 441 NZ LYS A 27 146.314 2.635 14.614 1.00 0.00 N ATOM 0 H LYS A 27 148.360 -2.253 10.962 1.00 0.00 H new ATOM 0 HA LYS A 27 148.356 -2.159 13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 27 146.288 -1.278 11.868 1.00 0.00 H new ATOM 0 HB3 LYS A 27 146.014 -1.293 13.599 1.00 0.00 H new ATOM 0 HG2 LYS A 27 148.284 0.275 12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 27 146.678 0.947 12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 27 146.974 0.112 15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 27 148.680 0.176 14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 27 148.193 2.317 15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 27 148.269 2.564 13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 146.330 3.597 15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 145.939 2.664 13.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 145.706 2.030 15.202 1.00 0.00 H new ATOM 455 N LEU A 28 147.088 -4.350 11.905 1.00 0.00 N ATOM 456 CA LEU A 28 146.443 -5.657 11.828 1.00 0.00 C ATOM 457 C LEU A 28 147.480 -6.777 11.878 1.00 0.00 C ATOM 458 O LEU A 28 148.677 -6.533 11.729 1.00 0.00 O ATOM 459 CB LEU A 28 145.600 -5.786 10.550 1.00 0.00 C ATOM 460 CG LEU A 28 145.617 -4.574 9.612 1.00 0.00 C ATOM 461 CD1 LEU A 28 146.732 -4.708 8.587 1.00 0.00 C ATOM 462 CD2 LEU A 28 144.270 -4.426 8.920 1.00 0.00 C ATOM 0 H LEU A 28 147.510 -4.035 11.031 1.00 0.00 H new ATOM 0 HA LEU A 28 145.782 -5.747 12.690 1.00 0.00 H new ATOM 0 HB2 LEU A 28 145.949 -6.656 9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 28 144.567 -5.984 10.837 1.00 0.00 H new ATOM 0 HG LEU A 28 145.804 -3.678 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 28 146.729 -3.838 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 28 147.692 -4.772 9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 28 146.576 -5.610 7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 144.295 -3.562 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 28 144.059 -5.324 8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 28 143.490 -4.287 9.668 1.00 0.00 H new ATOM 474 N PRO A 29 147.030 -8.027 12.087 1.00 0.00 N ATOM 475 CA PRO A 29 147.924 -9.187 12.153 1.00 0.00 C ATOM 476 C PRO A 29 148.491 -9.558 10.786 1.00 0.00 C ATOM 477 O PRO A 29 148.110 -8.980 9.769 1.00 0.00 O ATOM 478 CB PRO A 29 147.018 -10.300 12.677 1.00 0.00 C ATOM 479 CG PRO A 29 145.653 -9.911 12.228 1.00 0.00 C ATOM 480 CD PRO A 29 145.617 -8.408 12.274 1.00 0.00 C ATOM 0 HA PRO A 29 148.795 -8.998 12.780 1.00 0.00 H new ATOM 0 HB2 PRO A 29 147.307 -11.270 12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 29 147.072 -10.378 13.763 1.00 0.00 H new ATOM 0 HG2 PRO A 29 145.454 -10.276 11.220 1.00 0.00 H new ATOM 0 HG3 PRO A 29 144.891 -10.340 12.878 1.00 0.00 H new ATOM 0 HD2 PRO A 29 144.983 -7.997 11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 29 145.225 -8.044 13.224 1.00 0.00 H new ATOM 488 N GLU A 30 149.402 -10.525 10.771 1.00 0.00 N ATOM 489 CA GLU A 30 150.022 -10.975 9.528 1.00 0.00 C ATOM 490 C GLU A 30 148.968 -11.364 8.493 1.00 0.00 C ATOM 491 O GLU A 30 149.225 -11.328 7.290 1.00 0.00 O ATOM 492 CB GLU A 30 150.949 -12.161 9.797 1.00 0.00 C ATOM 493 CG GLU A 30 150.225 -13.395 10.314 1.00 0.00 C ATOM 494 CD GLU A 30 150.457 -13.632 11.793 1.00 0.00 C ATOM 495 OE1 GLU A 30 149.999 -12.802 12.606 1.00 0.00 O ATOM 496 OE2 GLU A 30 151.095 -14.648 12.138 1.00 0.00 O ATOM 0 H GLU A 30 149.728 -11.013 11.605 1.00 0.00 H new ATOM 0 HA GLU A 30 150.605 -10.146 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 30 151.474 -12.417 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 30 151.705 -11.863 10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 149.156 -13.288 10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 30 150.558 -14.268 9.753 1.00 0.00 H new ATOM 503 N SER A 31 147.783 -11.736 8.969 1.00 0.00 N ATOM 504 CA SER A 31 146.695 -12.132 8.082 1.00 0.00 C ATOM 505 C SER A 31 146.322 -10.997 7.134 1.00 0.00 C ATOM 506 O SER A 31 146.485 -11.112 5.918 1.00 0.00 O ATOM 507 CB SER A 31 145.471 -12.549 8.901 1.00 0.00 C ATOM 508 OG SER A 31 145.472 -13.946 9.143 1.00 0.00 O ATOM 0 H SER A 31 147.553 -11.771 9.962 1.00 0.00 H new ATOM 0 HA SER A 31 147.035 -12.980 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 31 145.464 -12.012 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 31 144.561 -12.269 8.370 1.00 0.00 H new ATOM 0 HG SER A 31 144.681 -14.187 9.669 1.00 0.00 H new ATOM 514 N GLU A 32 145.816 -9.903 7.695 1.00 0.00 N ATOM 515 CA GLU A 32 145.417 -8.749 6.898 1.00 0.00 C ATOM 516 C GLU A 32 146.626 -7.898 6.522 1.00 0.00 C ATOM 517 O GLU A 32 146.683 -7.332 5.432 1.00 0.00 O ATOM 518 CB GLU A 32 144.401 -7.901 7.665 1.00 0.00 C ATOM 519 CG GLU A 32 143.150 -8.666 8.068 1.00 0.00 C ATOM 520 CD GLU A 32 142.719 -8.370 9.491 1.00 0.00 C ATOM 521 OE1 GLU A 32 142.498 -7.183 9.811 1.00 0.00 O ATOM 522 OE2 GLU A 32 142.603 -9.326 10.287 1.00 0.00 O ATOM 0 H GLU A 32 145.673 -9.792 8.699 1.00 0.00 H new ATOM 0 HA GLU A 32 144.957 -9.116 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 32 144.876 -7.501 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.113 -7.049 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 32 142.338 -8.413 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 32 143.333 -9.735 7.963 1.00 0.00 H new ATOM 529 N ARG A 33 147.589 -7.811 7.435 1.00 0.00 N ATOM 530 CA ARG A 33 148.799 -7.027 7.204 1.00 0.00 C ATOM 531 C ARG A 33 149.459 -7.404 5.881 1.00 0.00 C ATOM 532 O ARG A 33 149.717 -6.547 5.037 1.00 0.00 O ATOM 533 CB ARG A 33 149.788 -7.230 8.354 1.00 0.00 C ATOM 534 CG ARG A 33 150.934 -6.229 8.359 1.00 0.00 C ATOM 535 CD ARG A 33 152.286 -6.924 8.398 1.00 0.00 C ATOM 536 NE ARG A 33 152.809 -7.180 7.058 1.00 0.00 N ATOM 537 CZ ARG A 33 154.067 -7.539 6.810 1.00 0.00 C ATOM 538 NH1 ARG A 33 154.932 -7.684 7.806 1.00 0.00 N ATOM 539 NH2 ARG A 33 154.461 -7.751 5.562 1.00 0.00 N ATOM 0 H ARG A 33 147.555 -8.274 8.343 1.00 0.00 H new ATOM 0 HA ARG A 33 148.512 -5.977 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 33 149.251 -7.159 9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 33 150.198 -8.238 8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 33 150.873 -5.601 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 33 150.838 -5.570 9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 33 152.994 -6.308 8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 33 152.194 -7.867 8.937 1.00 0.00 H new ATOM 0 HE ARG A 33 152.174 -7.078 6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 33 154.634 -7.520 8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 33 155.894 -7.959 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 33 153.801 -7.639 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 33 155.425 -8.026 5.371 1.00 0.00 H new ATOM 553 N LYS A 34 149.732 -8.694 5.707 1.00 0.00 N ATOM 554 CA LYS A 34 150.365 -9.186 4.488 1.00 0.00 C ATOM 555 C LYS A 34 149.536 -8.841 3.254 1.00 0.00 C ATOM 556 O LYS A 34 150.068 -8.737 2.149 1.00 0.00 O ATOM 557 CB LYS A 34 150.564 -10.701 4.572 1.00 0.00 C ATOM 558 CG LYS A 34 151.773 -11.112 5.397 1.00 0.00 C ATOM 559 CD LYS A 34 151.710 -12.581 5.786 1.00 0.00 C ATOM 560 CE LYS A 34 153.048 -13.272 5.576 1.00 0.00 C ATOM 561 NZ LYS A 34 153.290 -13.591 4.141 1.00 0.00 N ATOM 0 H LYS A 34 149.525 -9.418 6.395 1.00 0.00 H new ATOM 0 HA LYS A 34 151.335 -8.697 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 34 149.670 -11.153 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 34 150.670 -11.101 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 34 152.684 -10.924 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 34 151.827 -10.498 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 34 151.414 -12.669 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 34 150.944 -13.082 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 34 153.849 -12.632 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 34 153.078 -14.191 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 154.212 -14.061 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 152.540 -14.223 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 153.287 -12.712 3.585 1.00 0.00 H new ATOM 575 N LYS A 35 148.231 -8.671 3.445 1.00 0.00 N ATOM 576 CA LYS A 35 147.334 -8.345 2.342 1.00 0.00 C ATOM 577 C LYS A 35 147.425 -6.869 1.954 1.00 0.00 C ATOM 578 O LYS A 35 146.824 -6.444 0.967 1.00 0.00 O ATOM 579 CB LYS A 35 145.891 -8.694 2.714 1.00 0.00 C ATOM 580 CG LYS A 35 145.640 -10.189 2.840 1.00 0.00 C ATOM 581 CD LYS A 35 144.186 -10.535 2.560 1.00 0.00 C ATOM 582 CE LYS A 35 143.356 -10.526 3.833 1.00 0.00 C ATOM 583 NZ LYS A 35 143.559 -11.763 4.638 1.00 0.00 N ATOM 0 H LYS A 35 147.772 -8.754 4.352 1.00 0.00 H new ATOM 0 HA LYS A 35 147.644 -8.938 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 35 145.641 -8.211 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 145.220 -8.284 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 35 146.284 -10.727 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 35 145.907 -10.521 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 35 143.771 -9.820 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 35 144.128 -11.519 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 35 143.621 -9.655 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 35 142.301 -10.428 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 142.787 -11.859 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 143.564 -12.590 4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 144.468 -11.705 5.141 1.00 0.00 H new ATOM 597 N ILE A 36 148.172 -6.086 2.730 1.00 0.00 N ATOM 598 CA ILE A 36 148.324 -4.662 2.451 1.00 0.00 C ATOM 599 C ILE A 36 149.594 -4.384 1.651 1.00 0.00 C ATOM 600 O ILE A 36 149.632 -3.467 0.830 1.00 0.00 O ATOM 601 CB ILE A 36 148.359 -3.831 3.747 1.00 0.00 C ATOM 602 CG1 ILE A 36 147.222 -4.250 4.682 1.00 0.00 C ATOM 603 CG2 ILE A 36 148.269 -2.346 3.427 1.00 0.00 C ATOM 604 CD1 ILE A 36 145.851 -4.155 4.047 1.00 0.00 C ATOM 0 H ILE A 36 148.679 -6.413 3.553 1.00 0.00 H new ATOM 0 HA ILE A 36 147.455 -4.368 1.862 1.00 0.00 H new ATOM 0 HB ILE A 36 149.306 -4.018 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 36 147.391 -5.276 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 36 147.245 -3.623 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 36 148.295 -1.772 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 36 149.111 -2.058 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 36 147.336 -2.143 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 36 145.094 -4.467 4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 36 145.661 -3.125 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 36 145.809 -4.804 3.172 1.00 0.00 H new ATOM 616 N ILE A 37 150.633 -5.175 1.899 1.00 0.00 N ATOM 617 CA ILE A 37 151.902 -5.006 1.201 1.00 0.00 C ATOM 618 C ILE A 37 151.903 -5.745 -0.133 1.00 0.00 C ATOM 619 O ILE A 37 152.432 -5.249 -1.127 1.00 0.00 O ATOM 620 CB ILE A 37 153.085 -5.504 2.056 1.00 0.00 C ATOM 621 CG1 ILE A 37 153.085 -4.808 3.419 1.00 0.00 C ATOM 622 CG2 ILE A 37 154.405 -5.264 1.335 1.00 0.00 C ATOM 623 CD1 ILE A 37 152.146 -5.441 4.422 1.00 0.00 C ATOM 0 H ILE A 37 150.621 -5.937 2.576 1.00 0.00 H new ATOM 0 HA ILE A 37 152.021 -3.938 1.018 1.00 0.00 H new ATOM 0 HB ILE A 37 152.971 -6.577 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 37 154.097 -4.820 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 37 152.808 -3.763 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 37 155.228 -5.622 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 37 154.404 -5.801 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 37 154.529 -4.197 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 37 152.199 -4.896 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 37 151.126 -5.405 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 37 152.436 -6.479 4.587 1.00 0.00 H new ATOM 635 N ARG A 38 151.310 -6.934 -0.149 1.00 0.00 N ATOM 636 CA ARG A 38 151.248 -7.739 -1.365 1.00 0.00 C ATOM 637 C ARG A 38 150.478 -7.013 -2.465 1.00 0.00 C ATOM 638 O ARG A 38 150.704 -7.248 -3.652 1.00 0.00 O ATOM 639 CB ARG A 38 150.594 -9.092 -1.072 1.00 0.00 C ATOM 640 CG ARG A 38 151.534 -10.272 -1.257 1.00 0.00 C ATOM 641 CD ARG A 38 150.835 -11.450 -1.917 1.00 0.00 C ATOM 642 NE ARG A 38 151.531 -11.893 -3.123 1.00 0.00 N ATOM 643 CZ ARG A 38 152.707 -12.514 -3.113 1.00 0.00 C ATOM 644 NH1 ARG A 38 153.319 -12.773 -1.964 1.00 0.00 N ATOM 645 NH2 ARG A 38 153.272 -12.881 -4.256 1.00 0.00 N ATOM 0 H ARG A 38 150.866 -7.361 0.664 1.00 0.00 H new ATOM 0 HA ARG A 38 152.268 -7.903 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 38 150.221 -9.092 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 38 149.731 -9.219 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 38 152.386 -9.967 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 38 151.928 -10.579 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 38 150.772 -12.277 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 38 149.813 -11.169 -2.171 1.00 0.00 H new ATOM 0 HE ARG A 38 151.089 -11.716 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 38 152.887 -12.495 -1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 38 154.221 -13.250 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 38 152.804 -12.687 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 38 154.174 -13.357 -4.249 1.00 0.00 H new ATOM 659 N ARG A 39 149.564 -6.134 -2.066 1.00 0.00 N ATOM 660 CA ARG A 39 148.761 -5.379 -3.021 1.00 0.00 C ATOM 661 C ARG A 39 149.539 -4.189 -3.577 1.00 0.00 C ATOM 662 O ARG A 39 149.553 -3.955 -4.786 1.00 0.00 O ATOM 663 CB ARG A 39 147.470 -4.894 -2.360 1.00 0.00 C ATOM 664 CG ARG A 39 146.337 -4.650 -3.346 1.00 0.00 C ATOM 665 CD ARG A 39 145.978 -3.175 -3.434 1.00 0.00 C ATOM 666 NE ARG A 39 145.287 -2.708 -2.234 1.00 0.00 N ATOM 667 CZ ARG A 39 144.004 -2.952 -1.975 1.00 0.00 C ATOM 668 NH1 ARG A 39 143.270 -3.656 -2.828 1.00 0.00 N ATOM 669 NH2 ARG A 39 143.453 -2.491 -0.860 1.00 0.00 N ATOM 0 H ARG A 39 149.361 -5.927 -1.088 1.00 0.00 H new ATOM 0 HA ARG A 39 148.513 -6.043 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 39 147.148 -5.632 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 39 147.674 -3.971 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 39 146.627 -5.014 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 145.460 -5.221 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 39 146.885 -2.589 -3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 39 145.345 -3.007 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 39 145.819 -2.163 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 39 143.688 -4.013 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 39 142.288 -3.840 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 39 144.012 -1.949 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 39 142.470 -2.678 -0.662 1.00 0.00 H new ATOM 683 N LEU A 40 150.182 -3.439 -2.688 1.00 0.00 N ATOM 684 CA LEU A 40 150.957 -2.271 -3.093 1.00 0.00 C ATOM 685 C LEU A 40 152.295 -2.685 -3.699 1.00 0.00 C ATOM 686 O LEU A 40 152.816 -2.015 -4.591 1.00 0.00 O ATOM 687 CB LEU A 40 151.188 -1.348 -1.895 1.00 0.00 C ATOM 688 CG LEU A 40 150.145 -0.244 -1.717 1.00 0.00 C ATOM 689 CD1 LEU A 40 150.235 0.763 -2.853 1.00 0.00 C ATOM 690 CD2 LEU A 40 148.747 -0.840 -1.642 1.00 0.00 C ATOM 0 H LEU A 40 150.182 -3.618 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 40 150.388 -1.735 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 151.212 -1.953 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 40 152.170 -0.886 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 40 150.349 0.275 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 40 149.485 1.541 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 40 151.228 1.213 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 150.056 0.258 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 40 148.017 -0.041 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 40 148.533 -1.384 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 40 148.688 -1.523 -0.795 1.00 0.00 H new ATOM 702 N TYR A 41 152.847 -3.788 -3.207 1.00 0.00 N ATOM 703 CA TYR A 41 154.126 -4.288 -3.700 1.00 0.00 C ATOM 704 C TYR A 41 153.981 -4.872 -5.101 1.00 0.00 C ATOM 705 O TYR A 41 154.892 -4.770 -5.924 1.00 0.00 O ATOM 706 CB TYR A 41 154.684 -5.347 -2.748 1.00 0.00 C ATOM 707 CG TYR A 41 156.142 -5.670 -2.990 1.00 0.00 C ATOM 708 CD1 TYR A 41 156.536 -6.389 -4.111 1.00 0.00 C ATOM 709 CD2 TYR A 41 157.122 -5.257 -2.097 1.00 0.00 C ATOM 710 CE1 TYR A 41 157.866 -6.687 -4.337 1.00 0.00 C ATOM 711 CE2 TYR A 41 158.456 -5.550 -2.316 1.00 0.00 C ATOM 712 CZ TYR A 41 158.821 -6.266 -3.436 1.00 0.00 C ATOM 713 OH TYR A 41 160.147 -6.560 -3.657 1.00 0.00 O ATOM 0 H TYR A 41 152.430 -4.353 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 41 154.821 -3.449 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 41 154.563 -5.001 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 41 154.097 -6.260 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 41 155.790 -6.721 -4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 41 156.838 -4.698 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 41 158.156 -7.246 -5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 41 159.207 -5.220 -1.614 1.00 0.00 H new ATOM 0 HH TYR A 41 160.690 -6.191 -2.929 1.00 0.00 H new ATOM 723 N LEU A 42 152.831 -5.483 -5.368 1.00 0.00 N ATOM 724 CA LEU A 42 152.569 -6.083 -6.671 1.00 0.00 C ATOM 725 C LEU A 42 151.747 -5.142 -7.549 1.00 0.00 C ATOM 726 O LEU A 42 150.986 -5.586 -8.407 1.00 0.00 O ATOM 727 CB LEU A 42 151.835 -7.416 -6.506 1.00 0.00 C ATOM 728 CG LEU A 42 152.673 -8.548 -5.906 1.00 0.00 C ATOM 729 CD1 LEU A 42 151.879 -9.845 -5.879 1.00 0.00 C ATOM 730 CD2 LEU A 42 153.964 -8.728 -6.691 1.00 0.00 C ATOM 0 H LEU A 42 152.066 -5.576 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 42 153.527 -6.262 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 42 150.962 -7.256 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 42 151.468 -7.734 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 42 152.928 -8.281 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 42 152.491 -10.638 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 150.983 -9.710 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 42 151.593 -10.118 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 42 154.548 -9.537 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 42 153.729 -8.972 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 42 154.542 -7.804 -6.658 1.00 0.00 H new ATOM 742 N LYS A 43 151.909 -3.841 -7.327 1.00 0.00 N ATOM 743 CA LYS A 43 151.182 -2.838 -8.098 1.00 0.00 C ATOM 744 C LYS A 43 152.121 -1.735 -8.577 1.00 0.00 C ATOM 745 O LYS A 43 152.052 -1.305 -9.729 1.00 0.00 O ATOM 746 CB LYS A 43 150.053 -2.235 -7.261 1.00 0.00 C ATOM 747 CG LYS A 43 149.149 -1.295 -8.045 1.00 0.00 C ATOM 748 CD LYS A 43 149.154 0.110 -7.461 1.00 0.00 C ATOM 749 CE LYS A 43 147.835 0.435 -6.776 1.00 0.00 C ATOM 750 NZ LYS A 43 147.909 0.228 -5.303 1.00 0.00 N ATOM 0 H LYS A 43 152.536 -3.457 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 43 150.752 -3.330 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 43 149.450 -3.042 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 43 150.485 -1.693 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 43 149.476 -1.258 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 43 148.131 -1.685 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 43 149.970 0.204 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 43 149.341 0.834 -8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.563 1.470 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 43 147.046 -0.192 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 146.951 0.091 -4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 148.485 -0.613 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 148.343 1.061 -4.857 1.00 0.00 H new ATOM 764 N TRP A 44 152.997 -1.279 -7.687 1.00 0.00 N ATOM 765 CA TRP A 44 153.948 -0.225 -8.019 1.00 0.00 C ATOM 766 C TRP A 44 155.306 -0.812 -8.391 1.00 0.00 C ATOM 767 O TRP A 44 156.344 -0.191 -8.165 1.00 0.00 O ATOM 768 CB TRP A 44 154.102 0.740 -6.842 1.00 0.00 C ATOM 769 CG TRP A 44 152.927 1.651 -6.662 1.00 0.00 C ATOM 770 CD1 TRP A 44 151.898 1.498 -5.778 1.00 0.00 C ATOM 771 CD2 TRP A 44 152.659 2.857 -7.386 1.00 0.00 C ATOM 772 NE1 TRP A 44 151.007 2.535 -5.907 1.00 0.00 N ATOM 773 CE2 TRP A 44 151.452 3.383 -6.887 1.00 0.00 C ATOM 774 CE3 TRP A 44 153.321 3.546 -8.406 1.00 0.00 C ATOM 775 CZ2 TRP A 44 150.897 4.563 -7.375 1.00 0.00 C ATOM 776 CZ3 TRP A 44 152.765 4.717 -8.886 1.00 0.00 C ATOM 777 CH2 TRP A 44 151.566 5.214 -8.371 1.00 0.00 C ATOM 0 H TRP A 44 153.068 -1.624 -6.730 1.00 0.00 H new ATOM 0 HA TRP A 44 153.561 0.320 -8.880 1.00 0.00 H new ATOM 0 HB2 TRP A 44 154.250 0.165 -5.928 1.00 0.00 H new ATOM 0 HB3 TRP A 44 154.999 1.341 -6.990 1.00 0.00 H new ATOM 0 HD1 TRP A 44 151.799 0.681 -5.079 1.00 0.00 H new ATOM 0 HE1 TRP A 44 150.153 2.655 -5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 44 154.249 3.171 -8.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 149.970 4.950 -6.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 153.267 5.258 -9.674 1.00 0.00 H new ATOM 0 HH2 TRP A 44 151.160 6.132 -8.769 1.00 0.00 H new ATOM 788 N HIS A 45 155.292 -2.012 -8.963 1.00 0.00 N ATOM 789 CA HIS A 45 156.523 -2.681 -9.366 1.00 0.00 C ATOM 790 C HIS A 45 156.892 -2.316 -10.803 1.00 0.00 C ATOM 791 O HIS A 45 156.104 -2.527 -11.725 1.00 0.00 O ATOM 792 CB HIS A 45 156.369 -4.198 -9.236 1.00 0.00 C ATOM 793 CG HIS A 45 157.574 -4.874 -8.659 1.00 0.00 C ATOM 794 ND1 HIS A 45 158.832 -4.773 -9.213 1.00 0.00 N ATOM 795 CD2 HIS A 45 157.708 -5.665 -7.568 1.00 0.00 C ATOM 796 CE1 HIS A 45 159.688 -5.472 -8.490 1.00 0.00 C ATOM 797 NE2 HIS A 45 159.032 -6.023 -7.486 1.00 0.00 N ATOM 0 H HIS A 45 154.442 -2.541 -9.158 1.00 0.00 H new ATOM 0 HA HIS A 45 157.324 -2.347 -8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 45 155.505 -4.415 -8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 45 156.162 -4.620 -10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 45 156.921 -5.959 -6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 45 160.745 -5.575 -8.687 1.00 0.00 H new ATOM 0 HE2 HIS A 45 159.442 -6.618 -6.766 1.00 0.00 H new ATOM 806 N PRO A 46 158.099 -1.760 -11.019 1.00 0.00 N ATOM 807 CA PRO A 46 158.559 -1.370 -12.357 1.00 0.00 C ATOM 808 C PRO A 46 158.461 -2.514 -13.361 1.00 0.00 C ATOM 809 O PRO A 46 158.139 -2.301 -14.530 1.00 0.00 O ATOM 810 CB PRO A 46 160.021 -0.979 -12.135 1.00 0.00 C ATOM 811 CG PRO A 46 160.096 -0.591 -10.699 1.00 0.00 C ATOM 812 CD PRO A 46 159.109 -1.469 -9.984 1.00 0.00 C ATOM 0 HA PRO A 46 157.950 -0.569 -12.777 1.00 0.00 H new ATOM 0 HB2 PRO A 46 160.691 -1.810 -12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 46 160.313 -0.153 -12.784 1.00 0.00 H new ATOM 0 HG2 PRO A 46 161.103 -0.735 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 46 159.850 0.462 -10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 46 159.577 -2.380 -9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 46 158.670 -0.963 -9.125 1.00 0.00 H new ATOM 820 N ASP A 47 158.744 -3.727 -12.898 1.00 0.00 N ATOM 821 CA ASP A 47 158.691 -4.905 -13.756 1.00 0.00 C ATOM 822 C ASP A 47 157.249 -5.330 -14.014 1.00 0.00 C ATOM 823 O ASP A 47 156.936 -5.892 -15.064 1.00 0.00 O ATOM 824 CB ASP A 47 159.469 -6.059 -13.120 1.00 0.00 C ATOM 825 CG ASP A 47 160.324 -6.804 -14.127 1.00 0.00 C ATOM 826 OD1 ASP A 47 161.097 -6.144 -14.854 1.00 0.00 O ATOM 827 OD2 ASP A 47 160.220 -8.046 -14.189 1.00 0.00 O ATOM 0 H ASP A 47 159.012 -3.920 -11.933 1.00 0.00 H new ATOM 0 HA ASP A 47 159.149 -4.648 -14.711 1.00 0.00 H new ATOM 0 HB2 ASP A 47 160.105 -5.670 -12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 47 158.769 -6.754 -12.657 1.00 0.00 H new ATOM 832 N LYS A 48 156.374 -5.062 -13.050 1.00 0.00 N ATOM 833 CA LYS A 48 154.965 -5.420 -13.176 1.00 0.00 C ATOM 834 C LYS A 48 154.139 -4.230 -13.656 1.00 0.00 C ATOM 835 O LYS A 48 153.018 -4.016 -13.197 1.00 0.00 O ATOM 836 CB LYS A 48 154.425 -5.927 -11.835 1.00 0.00 C ATOM 837 CG LYS A 48 153.619 -7.210 -11.951 1.00 0.00 C ATOM 838 CD LYS A 48 152.147 -6.923 -12.201 1.00 0.00 C ATOM 839 CE LYS A 48 151.253 -7.880 -11.429 1.00 0.00 C ATOM 840 NZ LYS A 48 150.068 -8.299 -12.227 1.00 0.00 N ATOM 0 H LYS A 48 156.615 -4.599 -12.174 1.00 0.00 H new ATOM 0 HA LYS A 48 154.883 -6.215 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 48 155.261 -6.093 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 153.800 -5.154 -11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 48 154.015 -7.818 -12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 48 153.727 -7.793 -11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 48 151.921 -5.897 -11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 151.935 -7.006 -13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 48 151.827 -8.761 -11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 48 150.920 -7.402 -10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 149.484 -8.951 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 149.506 -7.461 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 150.385 -8.778 -13.094 1.00 0.00 H new ATOM 854 N ASN A 49 154.701 -3.461 -14.583 1.00 0.00 N ATOM 855 CA ASN A 49 154.014 -2.295 -15.125 1.00 0.00 C ATOM 856 C ASN A 49 154.055 -2.296 -16.652 1.00 0.00 C ATOM 857 O ASN A 49 154.986 -2.828 -17.255 1.00 0.00 O ATOM 858 CB ASN A 49 154.647 -1.010 -14.588 1.00 0.00 C ATOM 859 CG ASN A 49 154.084 -0.611 -13.238 1.00 0.00 C ATOM 860 OD1 ASN A 49 153.104 -1.186 -12.765 1.00 0.00 O ATOM 861 ND2 ASN A 49 154.705 0.380 -12.609 1.00 0.00 N ATOM 0 H ASN A 49 155.629 -3.624 -14.974 1.00 0.00 H new ATOM 0 HA ASN A 49 152.972 -2.340 -14.809 1.00 0.00 H new ATOM 0 HB2 ASN A 49 155.725 -1.147 -14.503 1.00 0.00 H new ATOM 0 HB3 ASN A 49 154.483 -0.202 -15.301 1.00 0.00 H new ATOM 0 HD21 ASN A 49 154.373 0.692 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 49 155.514 0.829 -13.038 1.00 0.00 H new ATOM 868 N PRO A 50 153.040 -1.696 -17.297 1.00 0.00 N ATOM 869 CA PRO A 50 152.961 -1.631 -18.760 1.00 0.00 C ATOM 870 C PRO A 50 154.215 -1.026 -19.383 1.00 0.00 C ATOM 871 O PRO A 50 154.917 -1.684 -20.152 1.00 0.00 O ATOM 872 CB PRO A 50 151.751 -0.728 -19.017 1.00 0.00 C ATOM 873 CG PRO A 50 150.920 -0.846 -17.786 1.00 0.00 C ATOM 874 CD PRO A 50 151.887 -1.038 -16.652 1.00 0.00 C ATOM 0 HA PRO A 50 152.871 -2.623 -19.204 1.00 0.00 H new ATOM 0 HB2 PRO A 50 152.057 0.304 -19.190 1.00 0.00 H new ATOM 0 HB3 PRO A 50 151.198 -1.049 -19.900 1.00 0.00 H new ATOM 0 HG2 PRO A 50 150.315 0.048 -17.636 1.00 0.00 H new ATOM 0 HG3 PRO A 50 150.232 -1.688 -17.859 1.00 0.00 H new ATOM 0 HD2 PRO A 50 152.168 -0.088 -16.198 1.00 0.00 H new ATOM 0 HD3 PRO A 50 151.462 -1.656 -15.861 1.00 0.00 H new ATOM 882 N GLU A 51 154.490 0.231 -19.051 1.00 0.00 N ATOM 883 CA GLU A 51 155.659 0.924 -19.584 1.00 0.00 C ATOM 884 C GLU A 51 156.259 1.871 -18.548 1.00 0.00 C ATOM 885 O GLU A 51 157.477 1.930 -18.383 1.00 0.00 O ATOM 886 CB GLU A 51 155.283 1.703 -20.846 1.00 0.00 C ATOM 887 CG GLU A 51 154.903 0.816 -22.019 1.00 0.00 C ATOM 888 CD GLU A 51 155.189 1.466 -23.358 1.00 0.00 C ATOM 889 OE1 GLU A 51 154.398 2.338 -23.775 1.00 0.00 O ATOM 890 OE2 GLU A 51 156.204 1.104 -23.990 1.00 0.00 O ATOM 0 H GLU A 51 153.921 0.791 -18.416 1.00 0.00 H new ATOM 0 HA GLU A 51 156.408 0.173 -19.835 1.00 0.00 H new ATOM 0 HB2 GLU A 51 154.449 2.366 -20.618 1.00 0.00 H new ATOM 0 HB3 GLU A 51 156.122 2.335 -21.136 1.00 0.00 H new ATOM 0 HG2 GLU A 51 155.451 -0.124 -21.951 1.00 0.00 H new ATOM 0 HG3 GLU A 51 153.842 0.572 -21.957 1.00 0.00 H new ATOM 897 N ASN A 52 155.397 2.613 -17.857 1.00 0.00 N ATOM 898 CA ASN A 52 155.843 3.561 -16.840 1.00 0.00 C ATOM 899 C ASN A 52 156.753 2.888 -15.816 1.00 0.00 C ATOM 900 O ASN A 52 156.285 2.359 -14.807 1.00 0.00 O ATOM 901 CB ASN A 52 154.638 4.184 -16.133 1.00 0.00 C ATOM 902 CG ASN A 52 153.702 3.140 -15.557 1.00 0.00 C ATOM 903 OD1 ASN A 52 153.486 2.086 -16.156 1.00 0.00 O ATOM 904 ND2 ASN A 52 153.140 3.429 -14.389 1.00 0.00 N ATOM 0 H ASN A 52 154.386 2.576 -17.983 1.00 0.00 H new ATOM 0 HA ASN A 52 156.413 4.344 -17.340 1.00 0.00 H new ATOM 0 HB2 ASN A 52 154.987 4.836 -15.332 1.00 0.00 H new ATOM 0 HB3 ASN A 52 154.090 4.810 -16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 52 152.500 2.765 -13.953 1.00 0.00 H new ATOM 0 HD22 ASN A 52 153.348 4.315 -13.928 1.00 0.00 H new ATOM 911 N HIS A 53 158.055 2.913 -16.082 1.00 0.00 N ATOM 912 CA HIS A 53 159.033 2.308 -15.183 1.00 0.00 C ATOM 913 C HIS A 53 159.649 3.351 -14.253 1.00 0.00 C ATOM 914 O HIS A 53 160.184 3.014 -13.197 1.00 0.00 O ATOM 915 CB HIS A 53 160.134 1.601 -15.980 1.00 0.00 C ATOM 916 CG HIS A 53 160.585 2.357 -17.193 1.00 0.00 C ATOM 917 ND1 HIS A 53 160.842 3.674 -17.372 1.00 0.00 N flip ATOM 918 CD2 HIS A 53 160.819 1.753 -18.411 1.00 0.00 C flip ATOM 919 CE1 HIS A 53 161.224 3.840 -18.680 1.00 0.00 C flip ATOM 920 NE2 HIS A 53 161.203 2.667 -19.286 1.00 0.00 N flip ATOM 0 H HIS A 53 158.458 3.346 -16.913 1.00 0.00 H new ATOM 0 HA HIS A 53 158.510 1.572 -14.573 1.00 0.00 H new ATOM 0 HB2 HIS A 53 160.991 1.434 -15.328 1.00 0.00 H new ATOM 0 HB3 HIS A 53 159.773 0.620 -16.289 1.00 0.00 H new ATOM 0 HD2 HIS A 53 160.706 0.699 -18.617 1.00 0.00 H new ATOM 0 HE1 HIS A 53 161.498 4.778 -19.139 1.00 0.00 H new ATOM 0 HE2 HIS A 53 161.442 2.495 -20.263 1.00 0.00 H new ATOM 929 N ASP A 54 159.576 4.618 -14.654 1.00 0.00 N ATOM 930 CA ASP A 54 160.133 5.704 -13.854 1.00 0.00 C ATOM 931 C ASP A 54 159.198 6.071 -12.705 1.00 0.00 C ATOM 932 O ASP A 54 159.596 6.057 -11.540 1.00 0.00 O ATOM 933 CB ASP A 54 160.387 6.931 -14.731 1.00 0.00 C ATOM 934 CG ASP A 54 161.786 6.944 -15.315 1.00 0.00 C ATOM 935 OD1 ASP A 54 162.262 5.871 -15.742 1.00 0.00 O ATOM 936 OD2 ASP A 54 162.405 8.028 -15.347 1.00 0.00 O ATOM 0 H ASP A 54 159.138 4.917 -15.525 1.00 0.00 H new ATOM 0 HA ASP A 54 161.079 5.363 -13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 54 159.658 6.953 -15.541 1.00 0.00 H new ATOM 0 HB3 ASP A 54 160.234 7.834 -14.140 1.00 0.00 H new ATOM 941 N ILE A 55 157.956 6.402 -13.042 1.00 0.00 N ATOM 942 CA ILE A 55 156.964 6.777 -12.039 1.00 0.00 C ATOM 943 C ILE A 55 156.797 5.684 -10.987 1.00 0.00 C ATOM 944 O ILE A 55 156.400 5.955 -9.854 1.00 0.00 O ATOM 945 CB ILE A 55 155.594 7.065 -12.685 1.00 0.00 C ATOM 946 CG1 ILE A 55 155.759 7.987 -13.898 1.00 0.00 C ATOM 947 CG2 ILE A 55 154.645 7.681 -11.667 1.00 0.00 C ATOM 948 CD1 ILE A 55 155.196 7.409 -15.177 1.00 0.00 C ATOM 0 H ILE A 55 157.612 6.418 -14.002 1.00 0.00 H new ATOM 0 HA ILE A 55 157.331 7.684 -11.558 1.00 0.00 H new ATOM 0 HB ILE A 55 155.165 6.123 -13.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 155.267 8.938 -13.691 1.00 0.00 H new ATOM 0 HG13 ILE A 55 156.818 8.200 -14.041 1.00 0.00 H new ATOM 0 HG21 ILE A 55 153.683 7.878 -12.139 1.00 0.00 H new ATOM 0 HG22 ILE A 55 154.506 6.991 -10.835 1.00 0.00 H new ATOM 0 HG23 ILE A 55 155.066 8.616 -11.297 1.00 0.00 H new ATOM 0 HD11 ILE A 55 155.348 8.115 -15.993 1.00 0.00 H new ATOM 0 HD12 ILE A 55 155.704 6.473 -15.408 1.00 0.00 H new ATOM 0 HD13 ILE A 55 154.129 7.222 -15.053 1.00 0.00 H new ATOM 960 N ALA A 56 157.102 4.448 -11.368 1.00 0.00 N ATOM 961 CA ALA A 56 156.984 3.317 -10.455 1.00 0.00 C ATOM 962 C ALA A 56 158.119 3.310 -9.437 1.00 0.00 C ATOM 963 O ALA A 56 157.929 2.923 -8.284 1.00 0.00 O ATOM 964 CB ALA A 56 156.963 2.011 -11.235 1.00 0.00 C ATOM 0 H ALA A 56 157.432 4.204 -12.302 1.00 0.00 H new ATOM 0 HA ALA A 56 156.045 3.418 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 56 156.875 1.175 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 56 156.113 2.008 -11.917 1.00 0.00 H new ATOM 0 HB3 ALA A 56 157.886 1.913 -11.806 1.00 0.00 H new ATOM 970 N ASN A 57 159.300 3.736 -9.872 1.00 0.00 N ATOM 971 CA ASN A 57 160.469 3.776 -8.999 1.00 0.00 C ATOM 972 C ASN A 57 160.275 4.781 -7.869 1.00 0.00 C ATOM 973 O ASN A 57 160.541 4.480 -6.705 1.00 0.00 O ATOM 974 CB ASN A 57 161.720 4.128 -9.808 1.00 0.00 C ATOM 975 CG ASN A 57 162.670 2.955 -9.945 1.00 0.00 C ATOM 976 OD1 ASN A 57 162.958 2.501 -11.052 1.00 0.00 O ATOM 977 ND2 ASN A 57 163.161 2.456 -8.816 1.00 0.00 N ATOM 0 H ASN A 57 159.474 4.059 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 57 160.596 2.788 -8.557 1.00 0.00 H new ATOM 0 HB2 ASN A 57 161.424 4.469 -10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 57 162.239 4.957 -9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 57 163.804 1.665 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 57 162.895 2.864 -7.920 1.00 0.00 H new ATOM 984 N GLU A 58 159.816 5.980 -8.218 1.00 0.00 N ATOM 985 CA GLU A 58 159.592 7.031 -7.231 1.00 0.00 C ATOM 986 C GLU A 58 158.657 6.556 -6.122 1.00 0.00 C ATOM 987 O GLU A 58 158.788 6.967 -4.969 1.00 0.00 O ATOM 988 CB GLU A 58 159.012 8.277 -7.904 1.00 0.00 C ATOM 989 CG GLU A 58 157.696 8.026 -8.621 1.00 0.00 C ATOM 990 CD GLU A 58 156.887 9.294 -8.813 1.00 0.00 C ATOM 991 OE1 GLU A 58 157.493 10.347 -9.107 1.00 0.00 O ATOM 992 OE2 GLU A 58 155.648 9.236 -8.670 1.00 0.00 O ATOM 0 H GLU A 58 159.592 6.247 -9.177 1.00 0.00 H new ATOM 0 HA GLU A 58 160.554 7.280 -6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 58 158.864 9.051 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 58 159.738 8.664 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 58 157.896 7.576 -9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 58 157.108 7.306 -8.052 1.00 0.00 H new ATOM 999 N VAL A 59 157.716 5.689 -6.477 1.00 0.00 N ATOM 1000 CA VAL A 59 156.763 5.159 -5.509 1.00 0.00 C ATOM 1001 C VAL A 59 157.307 3.906 -4.831 1.00 0.00 C ATOM 1002 O VAL A 59 157.059 3.669 -3.649 1.00 0.00 O ATOM 1003 CB VAL A 59 155.413 4.826 -6.174 1.00 0.00 C ATOM 1004 CG1 VAL A 59 154.386 4.416 -5.129 1.00 0.00 C ATOM 1005 CG2 VAL A 59 154.913 6.009 -6.989 1.00 0.00 C ATOM 0 H VAL A 59 157.592 5.338 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 59 156.608 5.935 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 59 155.562 3.985 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 59 153.440 4.185 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 59 154.742 3.535 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 59 154.239 5.233 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 59 153.959 5.755 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 59 154.782 6.872 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 59 155.640 6.249 -7.765 1.00 0.00 H new ATOM 1015 N PHE A 60 158.051 3.106 -5.589 1.00 0.00 N ATOM 1016 CA PHE A 60 158.631 1.876 -5.063 1.00 0.00 C ATOM 1017 C PHE A 60 159.778 2.179 -4.104 1.00 0.00 C ATOM 1018 O PHE A 60 160.042 1.415 -3.177 1.00 0.00 O ATOM 1019 CB PHE A 60 159.126 0.994 -6.212 1.00 0.00 C ATOM 1020 CG PHE A 60 159.147 -0.474 -5.887 1.00 0.00 C ATOM 1021 CD1 PHE A 60 158.129 -1.053 -5.145 1.00 0.00 C ATOM 1022 CD2 PHE A 60 160.188 -1.276 -6.329 1.00 0.00 C ATOM 1023 CE1 PHE A 60 158.149 -2.403 -4.851 1.00 0.00 C ATOM 1024 CE2 PHE A 60 160.213 -2.626 -6.037 1.00 0.00 C ATOM 1025 CZ PHE A 60 159.192 -3.191 -5.296 1.00 0.00 C ATOM 0 H PHE A 60 158.266 3.288 -6.569 1.00 0.00 H new ATOM 0 HA PHE A 60 157.857 1.343 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 60 158.488 1.155 -7.081 1.00 0.00 H new ATOM 0 HB3 PHE A 60 160.131 1.309 -6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 60 157.311 -0.442 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 60 160.989 -0.840 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 60 157.349 -2.842 -4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 60 161.030 -3.240 -6.387 1.00 0.00 H new ATOM 0 HZ PHE A 60 159.210 -4.246 -5.066 1.00 0.00 H new ATOM 1035 N LYS A 61 160.458 3.297 -4.335 1.00 0.00 N ATOM 1036 CA LYS A 61 161.577 3.699 -3.491 1.00 0.00 C ATOM 1037 C LYS A 61 161.093 4.093 -2.098 1.00 0.00 C ATOM 1038 O LYS A 61 161.812 3.933 -1.112 1.00 0.00 O ATOM 1039 CB LYS A 61 162.333 4.865 -4.130 1.00 0.00 C ATOM 1040 CG LYS A 61 163.835 4.812 -3.904 1.00 0.00 C ATOM 1041 CD LYS A 61 164.564 4.271 -5.123 1.00 0.00 C ATOM 1042 CE LYS A 61 165.867 3.591 -4.737 1.00 0.00 C ATOM 1043 NZ LYS A 61 166.159 2.416 -5.603 1.00 0.00 N ATOM 0 H LYS A 61 160.254 3.941 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 61 162.251 2.848 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 61 162.135 4.872 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 61 161.946 5.802 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 61 164.204 5.811 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 61 164.052 4.183 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 61 163.923 3.561 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 61 164.770 5.086 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 61 166.685 4.307 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 61 165.815 3.271 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 167.056 1.981 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 165.391 1.720 -5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 166.235 2.725 -6.593 1.00 0.00 H new ATOM 1057 N HIS A 62 159.870 4.607 -2.025 1.00 0.00 N ATOM 1058 CA HIS A 62 159.290 5.024 -0.754 1.00 0.00 C ATOM 1059 C HIS A 62 158.674 3.837 -0.020 1.00 0.00 C ATOM 1060 O HIS A 62 158.691 3.777 1.209 1.00 0.00 O ATOM 1061 CB HIS A 62 158.230 6.103 -0.983 1.00 0.00 C ATOM 1062 CG HIS A 62 157.758 6.757 0.278 1.00 0.00 C ATOM 1063 ND1 HIS A 62 158.567 6.937 1.381 1.00 0.00 N ATOM 1064 CD2 HIS A 62 156.552 7.276 0.610 1.00 0.00 C ATOM 1065 CE1 HIS A 62 157.879 7.538 2.336 1.00 0.00 C ATOM 1066 NE2 HIS A 62 156.655 7.756 1.892 1.00 0.00 N ATOM 0 H HIS A 62 159.261 4.745 -2.832 1.00 0.00 H new ATOM 0 HA HIS A 62 160.089 5.434 -0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 62 158.637 6.865 -1.647 1.00 0.00 H new ATOM 0 HB3 HIS A 62 157.376 5.659 -1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 62 155.673 7.307 -0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 62 158.254 7.805 3.313 1.00 0.00 H new ATOM 0 HE2 HIS A 62 155.906 8.208 2.417 1.00 0.00 H new ATOM 1075 N LEU A 63 158.130 2.894 -0.782 1.00 0.00 N ATOM 1076 CA LEU A 63 157.508 1.708 -0.205 1.00 0.00 C ATOM 1077 C LEU A 63 158.558 0.780 0.398 1.00 0.00 C ATOM 1078 O LEU A 63 158.560 0.527 1.602 1.00 0.00 O ATOM 1079 CB LEU A 63 156.700 0.961 -1.267 1.00 0.00 C ATOM 1080 CG LEU A 63 155.991 -0.304 -0.771 1.00 0.00 C ATOM 1081 CD1 LEU A 63 154.481 -0.141 -0.856 1.00 0.00 C ATOM 1082 CD2 LEU A 63 156.443 -1.519 -1.566 1.00 0.00 C ATOM 0 H LEU A 63 158.107 2.928 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 63 156.837 2.032 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 63 155.953 1.640 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 63 157.367 0.688 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 63 156.261 -0.459 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 63 153.996 -1.050 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 63 154.171 0.702 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 63 154.192 0.042 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 63 155.928 -2.407 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 63 156.207 -1.373 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 63 157.519 -1.650 -1.450 1.00 0.00 H new ATOM 1094 N GLN A 64 159.450 0.273 -0.449 1.00 0.00 N ATOM 1095 CA GLN A 64 160.506 -0.630 -0.002 1.00 0.00 C ATOM 1096 C GLN A 64 161.303 -0.022 1.150 1.00 0.00 C ATOM 1097 O GLN A 64 161.820 -0.741 2.005 1.00 0.00 O ATOM 1098 CB GLN A 64 161.444 -0.963 -1.163 1.00 0.00 C ATOM 1099 CG GLN A 64 160.757 -1.680 -2.314 1.00 0.00 C ATOM 1100 CD GLN A 64 161.637 -1.781 -3.545 1.00 0.00 C ATOM 1101 OE1 GLN A 64 161.926 -0.781 -4.201 1.00 0.00 O ATOM 1102 NE2 GLN A 64 162.068 -2.997 -3.864 1.00 0.00 N ATOM 0 H GLN A 64 159.462 0.472 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 64 160.034 -1.546 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 64 161.890 -0.041 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 64 162.259 -1.585 -0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 64 160.470 -2.682 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 64 159.839 -1.152 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 64 161.803 -3.798 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 64 162.663 -3.129 -4.682 1.00 0.00 H new ATOM 1111 N ASN A 65 161.399 1.302 1.164 1.00 0.00 N ATOM 1112 CA ASN A 65 162.136 2.003 2.210 1.00 0.00 C ATOM 1113 C ASN A 65 161.281 2.170 3.462 1.00 0.00 C ATOM 1114 O ASN A 65 161.784 2.105 4.583 1.00 0.00 O ATOM 1115 CB ASN A 65 162.597 3.373 1.708 1.00 0.00 C ATOM 1116 CG ASN A 65 163.701 3.961 2.564 1.00 0.00 C ATOM 1117 OD1 ASN A 65 163.346 4.412 3.762 1.00 0.00 O flip ATOM 1118 ND2 ASN A 65 164.862 4.008 2.155 1.00 0.00 N flip ATOM 0 H ASN A 65 160.977 1.912 0.464 1.00 0.00 H new ATOM 0 HA ASN A 65 163.010 1.404 2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 65 162.948 3.281 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 65 161.748 4.057 1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 65 165.091 3.650 1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 65 165.594 4.405 2.744 1.00 0.00 H new ATOM 1125 N GLU A 66 159.985 2.387 3.262 1.00 0.00 N ATOM 1126 CA GLU A 66 159.059 2.565 4.375 1.00 0.00 C ATOM 1127 C GLU A 66 159.031 1.328 5.271 1.00 0.00 C ATOM 1128 O GLU A 66 158.707 1.417 6.455 1.00 0.00 O ATOM 1129 CB GLU A 66 157.652 2.860 3.851 1.00 0.00 C ATOM 1130 CG GLU A 66 157.405 4.334 3.571 1.00 0.00 C ATOM 1131 CD GLU A 66 156.906 5.083 4.790 1.00 0.00 C ATOM 1132 OE1 GLU A 66 156.083 4.517 5.540 1.00 0.00 O ATOM 1133 OE2 GLU A 66 157.337 6.237 4.995 1.00 0.00 O ATOM 0 H GLU A 66 159.552 2.444 2.340 1.00 0.00 H new ATOM 0 HA GLU A 66 159.406 3.411 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 66 157.488 2.292 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 66 156.921 2.509 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 66 158.329 4.793 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 66 156.676 4.430 2.766 1.00 0.00 H new ATOM 1140 N ILE A 67 159.371 0.177 4.699 1.00 0.00 N ATOM 1141 CA ILE A 67 159.382 -1.073 5.449 1.00 0.00 C ATOM 1142 C ILE A 67 160.414 -1.034 6.571 1.00 0.00 C ATOM 1143 O ILE A 67 160.063 -1.032 7.751 1.00 0.00 O ATOM 1144 CB ILE A 67 159.678 -2.278 4.533 1.00 0.00 C ATOM 1145 CG1 ILE A 67 158.740 -2.272 3.324 1.00 0.00 C ATOM 1146 CG2 ILE A 67 159.543 -3.582 5.308 1.00 0.00 C ATOM 1147 CD1 ILE A 67 158.960 -3.436 2.382 1.00 0.00 C ATOM 0 H ILE A 67 159.642 0.085 3.720 1.00 0.00 H new ATOM 0 HA ILE A 67 158.387 -1.191 5.879 1.00 0.00 H new ATOM 0 HB ILE A 67 160.704 -2.196 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 67 157.708 -2.289 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 67 158.874 -1.340 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 67 159.755 -4.422 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 67 160.249 -3.587 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 67 158.528 -3.672 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 67 158.261 -3.367 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 67 159.981 -3.408 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 67 158.797 -4.372 2.916 1.00 0.00 H new ATOM 1159 N ASN A 68 161.688 -1.003 6.195 1.00 0.00 N ATOM 1160 CA ASN A 68 162.776 -0.965 7.169 1.00 0.00 C ATOM 1161 C ASN A 68 162.609 0.204 8.137 1.00 0.00 C ATOM 1162 O ASN A 68 163.078 0.153 9.274 1.00 0.00 O ATOM 1163 CB ASN A 68 164.124 -0.861 6.455 1.00 0.00 C ATOM 1164 CG ASN A 68 164.224 0.379 5.588 1.00 0.00 C ATOM 1165 OD1 ASN A 68 163.933 1.488 6.035 1.00 0.00 O ATOM 1166 ND2 ASN A 68 164.638 0.196 4.339 1.00 0.00 N ATOM 0 H ASN A 68 161.994 -1.003 5.222 1.00 0.00 H new ATOM 0 HA ASN A 68 162.744 -1.891 7.742 1.00 0.00 H new ATOM 0 HB2 ASN A 68 164.924 -0.849 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 68 164.274 -1.746 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 68 164.725 0.993 3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 68 164.869 -0.742 4.010 1.00 0.00 H new ATOM 1173 N ARG A 69 161.938 1.256 7.677 1.00 0.00 N ATOM 1174 CA ARG A 69 161.709 2.437 8.501 1.00 0.00 C ATOM 1175 C ARG A 69 160.968 2.072 9.785 1.00 0.00 C ATOM 1176 O ARG A 69 161.378 2.456 10.880 1.00 0.00 O ATOM 1177 CB ARG A 69 160.912 3.481 7.713 1.00 0.00 C ATOM 1178 CG ARG A 69 160.525 4.704 8.532 1.00 0.00 C ATOM 1179 CD ARG A 69 159.024 4.949 8.502 1.00 0.00 C ATOM 1180 NE ARG A 69 158.703 6.358 8.288 1.00 0.00 N ATOM 1181 CZ ARG A 69 159.000 7.326 9.153 1.00 0.00 C ATOM 1182 NH1 ARG A 69 159.623 7.041 10.290 1.00 0.00 N ATOM 1183 NH2 ARG A 69 158.672 8.581 8.881 1.00 0.00 N ATOM 0 H ARG A 69 161.544 1.314 6.738 1.00 0.00 H new ATOM 0 HA ARG A 69 162.678 2.856 8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 69 161.501 3.802 6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 69 160.007 3.015 7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 69 160.851 4.570 9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 69 161.045 5.581 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 69 158.575 4.351 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 69 158.584 4.616 9.442 1.00 0.00 H new ATOM 0 HE ARG A 69 158.223 6.615 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 69 159.877 6.077 10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 69 159.848 7.786 10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 69 158.192 8.805 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 69 158.899 9.323 9.543 1.00 0.00 H new ATOM 1197 N LEU A 70 159.873 1.333 9.642 1.00 0.00 N ATOM 1198 CA LEU A 70 159.074 0.921 10.790 1.00 0.00 C ATOM 1199 C LEU A 70 159.568 -0.409 11.351 1.00 0.00 C ATOM 1200 O LEU A 70 159.462 -0.664 12.551 1.00 0.00 O ATOM 1201 CB LEU A 70 157.601 0.809 10.397 1.00 0.00 C ATOM 1202 CG LEU A 70 156.950 2.121 9.952 1.00 0.00 C ATOM 1203 CD1 LEU A 70 155.647 1.848 9.216 1.00 0.00 C ATOM 1204 CD2 LEU A 70 156.710 3.028 11.149 1.00 0.00 C ATOM 0 H LEU A 70 159.519 1.007 8.743 1.00 0.00 H new ATOM 0 HA LEU A 70 159.179 1.680 11.565 1.00 0.00 H new ATOM 0 HB2 LEU A 70 157.510 0.083 9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 70 157.043 0.413 11.246 1.00 0.00 H new ATOM 0 HG LEU A 70 157.629 2.629 9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 70 155.199 2.792 8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 70 155.847 1.237 8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 70 154.960 1.319 9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 70 156.247 3.956 10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 70 156.050 2.528 11.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 157.661 3.251 11.633 1.00 0.00 H new ATOM 1216 N GLU A 71 160.108 -1.253 10.478 1.00 0.00 N ATOM 1217 CA GLU A 71 160.618 -2.555 10.890 1.00 0.00 C ATOM 1218 C GLU A 71 161.719 -2.401 11.936 1.00 0.00 C ATOM 1219 O GLU A 71 161.902 -3.267 12.791 1.00 0.00 O ATOM 1220 CB GLU A 71 161.150 -3.327 9.681 1.00 0.00 C ATOM 1221 CG GLU A 71 160.771 -4.799 9.684 1.00 0.00 C ATOM 1222 CD GLU A 71 161.875 -5.683 10.231 1.00 0.00 C ATOM 1223 OE1 GLU A 71 163.035 -5.520 9.800 1.00 0.00 O ATOM 1224 OE2 GLU A 71 161.578 -6.540 11.091 1.00 0.00 O ATOM 0 H GLU A 71 160.204 -1.058 9.481 1.00 0.00 H new ATOM 0 HA GLU A 71 159.795 -3.115 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 71 160.771 -2.865 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 71 162.236 -3.240 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 71 159.870 -4.937 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 71 160.531 -5.111 8.668 1.00 0.00 H new ATOM 1231 N LYS A 72 162.448 -1.292 11.862 1.00 0.00 N ATOM 1232 CA LYS A 72 163.529 -1.024 12.802 1.00 0.00 C ATOM 1233 C LYS A 72 162.987 -0.425 14.096 1.00 0.00 C ATOM 1234 O LYS A 72 163.382 -0.825 15.191 1.00 0.00 O ATOM 1235 CB LYS A 72 164.555 -0.076 12.176 1.00 0.00 C ATOM 1236 CG LYS A 72 165.706 0.277 13.107 1.00 0.00 C ATOM 1237 CD LYS A 72 167.051 0.142 12.412 1.00 0.00 C ATOM 1238 CE LYS A 72 167.147 1.051 11.195 1.00 0.00 C ATOM 1239 NZ LYS A 72 168.498 1.004 10.571 1.00 0.00 N ATOM 0 H LYS A 72 162.309 -0.565 11.160 1.00 0.00 H new ATOM 0 HA LYS A 72 164.017 -1.970 13.037 1.00 0.00 H new ATOM 0 HB2 LYS A 72 164.957 -0.535 11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 72 164.051 0.841 11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 72 165.583 1.298 13.467 1.00 0.00 H new ATOM 0 HG3 LYS A 72 165.681 -0.374 13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 72 167.849 0.386 13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 72 167.201 -0.893 12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 72 166.398 0.755 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 72 166.918 2.076 11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 168.522 1.637 9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 169.211 1.311 11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 168.707 0.031 10.267 1.00 0.00 H new ATOM 1253 N GLN A 73 162.081 0.537 13.962 1.00 0.00 N ATOM 1254 CA GLN A 73 161.483 1.193 15.119 1.00 0.00 C ATOM 1255 C GLN A 73 160.614 0.218 15.908 1.00 0.00 C ATOM 1256 O GLN A 73 160.465 0.348 17.124 1.00 0.00 O ATOM 1257 CB GLN A 73 160.650 2.396 14.676 1.00 0.00 C ATOM 1258 CG GLN A 73 161.486 3.585 14.231 1.00 0.00 C ATOM 1259 CD GLN A 73 160.641 4.722 13.690 1.00 0.00 C ATOM 1260 OE1 GLN A 73 159.506 4.927 14.121 1.00 0.00 O ATOM 1261 NE2 GLN A 73 161.191 5.468 12.740 1.00 0.00 N ATOM 0 H GLN A 73 161.744 0.880 13.063 1.00 0.00 H new ATOM 0 HA GLN A 73 162.289 1.538 15.767 1.00 0.00 H new ATOM 0 HB2 GLN A 73 159.998 2.094 13.856 1.00 0.00 H new ATOM 0 HB3 GLN A 73 160.005 2.704 15.499 1.00 0.00 H new ATOM 0 HG2 GLN A 73 162.076 3.945 15.074 1.00 0.00 H new ATOM 0 HG3 GLN A 73 162.190 3.263 13.463 1.00 0.00 H new ATOM 0 HE21 GLN A 73 162.135 5.262 12.412 1.00 0.00 H new ATOM 0 HE22 GLN A 73 160.670 6.247 12.337 1.00 0.00 H new ATOM 1270 N ALA A 74 160.042 -0.757 15.211 1.00 0.00 N ATOM 1271 CA ALA A 74 159.188 -1.753 15.847 1.00 0.00 C ATOM 1272 C ALA A 74 159.969 -3.025 16.160 1.00 0.00 C ATOM 1273 O ALA A 74 159.461 -4.135 15.992 1.00 0.00 O ATOM 1274 CB ALA A 74 157.994 -2.069 14.958 1.00 0.00 C ATOM 0 H ALA A 74 160.154 -0.879 14.205 1.00 0.00 H new ATOM 0 HA ALA A 74 158.826 -1.339 16.788 1.00 0.00 H new ATOM 0 HB1 ALA A 74 157.365 -2.814 15.445 1.00 0.00 H new ATOM 0 HB2 ALA A 74 157.416 -1.161 14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 74 158.345 -2.459 14.003 1.00 0.00 H new ATOM 1280 N PHE A 75 161.205 -2.857 16.618 1.00 0.00 N ATOM 1281 CA PHE A 75 162.056 -3.993 16.955 1.00 0.00 C ATOM 1282 C PHE A 75 162.997 -3.644 18.104 1.00 0.00 C ATOM 1283 O PHE A 75 163.134 -4.407 19.061 1.00 0.00 O ATOM 1284 CB PHE A 75 162.862 -4.433 15.733 1.00 0.00 C ATOM 1285 CG PHE A 75 162.949 -5.925 15.577 1.00 0.00 C ATOM 1286 CD1 PHE A 75 161.964 -6.623 14.896 1.00 0.00 C ATOM 1287 CD2 PHE A 75 164.016 -6.630 16.113 1.00 0.00 C ATOM 1288 CE1 PHE A 75 162.041 -7.995 14.752 1.00 0.00 C ATOM 1289 CE2 PHE A 75 164.098 -8.002 15.971 1.00 0.00 C ATOM 1290 CZ PHE A 75 163.110 -8.685 15.290 1.00 0.00 C ATOM 0 H PHE A 75 161.640 -1.946 16.764 1.00 0.00 H new ATOM 0 HA PHE A 75 161.415 -4.816 17.272 1.00 0.00 H new ATOM 0 HB2 PHE A 75 162.410 -4.008 14.837 1.00 0.00 H new ATOM 0 HB3 PHE A 75 163.870 -4.024 15.806 1.00 0.00 H new ATOM 0 HD1 PHE A 75 161.127 -6.088 14.473 1.00 0.00 H new ATOM 0 HD2 PHE A 75 164.791 -6.101 16.647 1.00 0.00 H new ATOM 0 HE1 PHE A 75 161.267 -8.527 14.220 1.00 0.00 H new ATOM 0 HE2 PHE A 75 164.934 -8.540 16.392 1.00 0.00 H new ATOM 0 HZ PHE A 75 163.173 -9.757 15.178 1.00 0.00 H new ATOM 1300 N LEU A 76 163.644 -2.488 18.004 1.00 0.00 N ATOM 1301 CA LEU A 76 164.571 -2.039 19.034 1.00 0.00 C ATOM 1302 C LEU A 76 163.827 -1.356 20.176 1.00 0.00 C ATOM 1303 O LEU A 76 163.831 -0.129 20.289 1.00 0.00 O ATOM 1304 CB LEU A 76 165.606 -1.081 18.437 1.00 0.00 C ATOM 1305 CG LEU A 76 166.762 -1.758 17.699 1.00 0.00 C ATOM 1306 CD1 LEU A 76 166.328 -2.193 16.308 1.00 0.00 C ATOM 1307 CD2 LEU A 76 167.960 -0.822 17.618 1.00 0.00 C ATOM 0 H LEU A 76 163.543 -1.845 17.219 1.00 0.00 H new ATOM 0 HA LEU A 76 165.084 -2.914 19.432 1.00 0.00 H new ATOM 0 HB2 LEU A 76 165.099 -0.407 17.747 1.00 0.00 H new ATOM 0 HB3 LEU A 76 166.016 -0.467 19.239 1.00 0.00 H new ATOM 0 HG LEU A 76 167.055 -2.647 18.258 1.00 0.00 H new ATOM 0 HD11 LEU A 76 167.164 -2.672 15.799 1.00 0.00 H new ATOM 0 HD12 LEU A 76 165.500 -2.898 16.389 1.00 0.00 H new ATOM 0 HD13 LEU A 76 166.008 -1.321 15.737 1.00 0.00 H new ATOM 0 HD21 LEU A 76 168.774 -1.318 17.090 1.00 0.00 H new ATOM 0 HD22 LEU A 76 167.678 0.084 17.081 1.00 0.00 H new ATOM 0 HD23 LEU A 76 168.286 -0.561 18.625 1.00 0.00 H new ATOM 1319 N ASP A 77 163.187 -2.158 21.022 1.00 0.00 N ATOM 1320 CA ASP A 77 162.438 -1.630 22.156 1.00 0.00 C ATOM 1321 C ASP A 77 162.158 -2.726 23.180 1.00 0.00 C ATOM 1322 O ASP A 77 162.311 -2.518 24.383 1.00 0.00 O ATOM 1323 CB ASP A 77 161.121 -1.012 21.682 1.00 0.00 C ATOM 1324 CG ASP A 77 160.627 0.078 22.611 1.00 0.00 C ATOM 1325 OD1 ASP A 77 161.424 0.982 22.944 1.00 0.00 O ATOM 1326 OD2 ASP A 77 159.444 0.030 23.008 1.00 0.00 O ATOM 0 H ASP A 77 163.172 -3.175 20.943 1.00 0.00 H new ATOM 0 HA ASP A 77 163.043 -0.858 22.631 1.00 0.00 H new ATOM 0 HB2 ASP A 77 161.255 -0.600 20.682 1.00 0.00 H new ATOM 0 HB3 ASP A 77 160.363 -1.792 21.606 1.00 0.00 H new ATOM 1331 N GLN A 78 161.746 -3.892 22.694 1.00 0.00 N ATOM 1332 CA GLN A 78 161.444 -5.021 23.567 1.00 0.00 C ATOM 1333 C GLN A 78 160.322 -4.671 24.539 1.00 0.00 C ATOM 1334 O GLN A 78 160.319 -5.117 25.686 1.00 0.00 O ATOM 1335 CB GLN A 78 162.694 -5.442 24.342 1.00 0.00 C ATOM 1336 CG GLN A 78 163.752 -6.106 23.475 1.00 0.00 C ATOM 1337 CD GLN A 78 164.061 -7.524 23.914 1.00 0.00 C ATOM 1338 OE1 GLN A 78 163.920 -7.867 25.088 1.00 0.00 O ATOM 1339 NE2 GLN A 78 164.487 -8.356 22.971 1.00 0.00 N ATOM 0 H GLN A 78 161.613 -4.080 21.700 1.00 0.00 H new ATOM 0 HA GLN A 78 161.115 -5.853 22.944 1.00 0.00 H new ATOM 0 HB2 GLN A 78 163.127 -4.564 24.821 1.00 0.00 H new ATOM 0 HB3 GLN A 78 162.404 -6.129 25.137 1.00 0.00 H new ATOM 0 HG2 GLN A 78 163.413 -6.116 22.439 1.00 0.00 H new ATOM 0 HG3 GLN A 78 164.666 -5.513 23.506 1.00 0.00 H new ATOM 0 HE21 GLN A 78 164.589 -8.029 22.010 1.00 0.00 H new ATOM 0 HE22 GLN A 78 164.712 -9.322 23.207 1.00 0.00 H new ATOM 1348 N ASN A 79 159.370 -3.869 24.072 1.00 0.00 N ATOM 1349 CA ASN A 79 158.242 -3.458 24.898 1.00 0.00 C ATOM 1350 C ASN A 79 156.927 -3.967 24.316 1.00 0.00 C ATOM 1351 O ASN A 79 156.285 -3.287 23.516 1.00 0.00 O ATOM 1352 CB ASN A 79 158.202 -1.934 25.024 1.00 0.00 C ATOM 1353 CG ASN A 79 157.912 -1.478 26.440 1.00 0.00 C ATOM 1354 OD1 ASN A 79 156.976 -0.715 26.680 1.00 0.00 O ATOM 1355 ND2 ASN A 79 158.715 -1.945 27.389 1.00 0.00 N ATOM 0 H ASN A 79 159.358 -3.491 23.125 1.00 0.00 H new ATOM 0 HA ASN A 79 158.373 -3.893 25.889 1.00 0.00 H new ATOM 0 HB2 ASN A 79 159.157 -1.520 24.701 1.00 0.00 H new ATOM 0 HB3 ASN A 79 157.439 -1.537 24.354 1.00 0.00 H new ATOM 0 HD21 ASN A 79 158.568 -1.673 28.361 1.00 0.00 H new ATOM 0 HD22 ASN A 79 159.479 -2.576 27.146 1.00 0.00 H new ATOM 1362 N ALA A 80 156.531 -5.170 24.722 1.00 0.00 N ATOM 1363 CA ALA A 80 155.294 -5.771 24.241 1.00 0.00 C ATOM 1364 C ALA A 80 154.162 -5.575 25.243 1.00 0.00 C ATOM 1365 O ALA A 80 153.264 -6.409 25.350 1.00 0.00 O ATOM 1366 CB ALA A 80 155.502 -7.251 23.958 1.00 0.00 C ATOM 0 H ALA A 80 157.050 -5.747 25.384 1.00 0.00 H new ATOM 0 HA ALA A 80 155.013 -5.271 23.314 1.00 0.00 H new ATOM 0 HB1 ALA A 80 154.570 -7.687 23.599 1.00 0.00 H new ATOM 0 HB2 ALA A 80 156.275 -7.371 23.199 1.00 0.00 H new ATOM 0 HB3 ALA A 80 155.811 -7.757 24.873 1.00 0.00 H new ATOM 1372 N ASP A 81 154.211 -4.466 25.974 1.00 0.00 N ATOM 1373 CA ASP A 81 153.189 -4.160 26.968 1.00 0.00 C ATOM 1374 C ASP A 81 152.372 -2.941 26.552 1.00 0.00 C ATOM 1375 O ASP A 81 151.229 -3.068 26.115 1.00 0.00 O ATOM 1376 CB ASP A 81 153.834 -3.914 28.334 1.00 0.00 C ATOM 1377 CG ASP A 81 154.449 -5.171 28.917 1.00 0.00 C ATOM 1378 OD1 ASP A 81 153.736 -5.906 29.631 1.00 0.00 O ATOM 1379 OD2 ASP A 81 155.646 -5.420 28.658 1.00 0.00 O ATOM 0 H ASP A 81 154.947 -3.765 25.897 1.00 0.00 H new ATOM 0 HA ASP A 81 152.519 -5.017 27.039 1.00 0.00 H new ATOM 0 HB2 ASP A 81 154.603 -3.148 28.237 1.00 0.00 H new ATOM 0 HB3 ASP A 81 153.083 -3.527 29.023 1.00 0.00 H new ATOM 1384 N ARG A 82 152.967 -1.760 26.689 1.00 0.00 N ATOM 1385 CA ARG A 82 152.294 -0.518 26.327 1.00 0.00 C ATOM 1386 C ARG A 82 151.007 -0.342 27.126 1.00 0.00 C ATOM 1387 O ARG A 82 150.614 -1.224 27.891 1.00 0.00 O ATOM 1388 CB ARG A 82 151.985 -0.500 24.829 1.00 0.00 C ATOM 1389 CG ARG A 82 152.162 0.867 24.188 1.00 0.00 C ATOM 1390 CD ARG A 82 152.316 0.759 22.679 1.00 0.00 C ATOM 1391 NE ARG A 82 153.039 1.898 22.120 1.00 0.00 N ATOM 1392 CZ ARG A 82 154.364 2.028 22.160 1.00 0.00 C ATOM 1393 NH1 ARG A 82 155.112 1.092 22.732 1.00 0.00 N ATOM 1394 NH2 ARG A 82 154.941 3.097 21.627 1.00 0.00 N ATOM 0 H ARG A 82 153.914 -1.637 27.048 1.00 0.00 H new ATOM 0 HA ARG A 82 152.962 0.310 26.564 1.00 0.00 H new ATOM 0 HB2 ARG A 82 152.634 -1.216 24.324 1.00 0.00 H new ATOM 0 HB3 ARG A 82 150.959 -0.835 24.674 1.00 0.00 H new ATOM 0 HG2 ARG A 82 151.302 1.494 24.423 1.00 0.00 H new ATOM 0 HG3 ARG A 82 153.039 1.357 24.610 1.00 0.00 H new ATOM 0 HD2 ARG A 82 152.845 -0.162 22.434 1.00 0.00 H new ATOM 0 HD3 ARG A 82 151.331 0.693 22.218 1.00 0.00 H new ATOM 0 HE ARG A 82 152.497 2.638 21.673 1.00 0.00 H new ATOM 0 HH11 ARG A 82 154.672 0.269 23.143 1.00 0.00 H new ATOM 0 HH12 ARG A 82 156.126 1.196 22.760 1.00 0.00 H new ATOM 0 HH21 ARG A 82 154.370 3.819 21.187 1.00 0.00 H new ATOM 0 HH22 ARG A 82 155.956 3.197 21.657 1.00 0.00 H new ATOM 1408 N ALA A 83 150.355 0.801 26.944 1.00 0.00 N ATOM 1409 CA ALA A 83 149.112 1.092 27.648 1.00 0.00 C ATOM 1410 C ALA A 83 148.213 2.006 26.822 1.00 0.00 C ATOM 1411 O ALA A 83 147.889 3.119 27.238 1.00 0.00 O ATOM 1412 CB ALA A 83 149.408 1.719 29.002 1.00 0.00 C ATOM 0 H ALA A 83 150.667 1.541 26.315 1.00 0.00 H new ATOM 0 HA ALA A 83 148.582 0.152 27.804 1.00 0.00 H new ATOM 0 HB1 ALA A 83 148.471 1.931 29.517 1.00 0.00 H new ATOM 0 HB2 ALA A 83 150.003 1.029 29.600 1.00 0.00 H new ATOM 0 HB3 ALA A 83 149.962 2.647 28.860 1.00 0.00 H new ATOM 1418 N SER A 84 147.811 1.529 25.646 1.00 0.00 N ATOM 1419 CA SER A 84 146.947 2.299 24.756 1.00 0.00 C ATOM 1420 C SER A 84 147.694 3.492 24.166 1.00 0.00 C ATOM 1421 O SER A 84 147.916 3.562 22.957 1.00 0.00 O ATOM 1422 CB SER A 84 145.698 2.778 25.503 1.00 0.00 C ATOM 1423 OG SER A 84 144.527 2.180 24.973 1.00 0.00 O ATOM 0 H SER A 84 148.071 0.610 25.287 1.00 0.00 H new ATOM 0 HA SER A 84 146.641 1.647 23.938 1.00 0.00 H new ATOM 0 HB2 SER A 84 145.788 2.534 26.562 1.00 0.00 H new ATOM 0 HB3 SER A 84 145.621 3.863 25.431 1.00 0.00 H new ATOM 0 HG SER A 84 143.744 2.500 25.467 1.00 0.00 H new ATOM 1429 N ARG A 85 148.080 4.430 25.027 1.00 0.00 N ATOM 1430 CA ARG A 85 148.802 5.621 24.591 1.00 0.00 C ATOM 1431 C ARG A 85 147.913 6.511 23.729 1.00 0.00 C ATOM 1432 O ARG A 85 147.900 6.393 22.503 1.00 0.00 O ATOM 1433 CB ARG A 85 150.060 5.230 23.813 1.00 0.00 C ATOM 1434 CG ARG A 85 151.168 6.268 23.886 1.00 0.00 C ATOM 1435 CD ARG A 85 152.542 5.617 23.890 1.00 0.00 C ATOM 1436 NE ARG A 85 153.613 6.601 24.026 1.00 0.00 N ATOM 1437 CZ ARG A 85 153.944 7.183 25.176 1.00 0.00 C ATOM 1438 NH1 ARG A 85 153.291 6.883 26.292 1.00 0.00 N ATOM 1439 NH2 ARG A 85 154.931 8.068 25.211 1.00 0.00 N ATOM 0 H ARG A 85 147.905 4.388 26.031 1.00 0.00 H new ATOM 0 HA ARG A 85 149.095 6.180 25.479 1.00 0.00 H new ATOM 0 HB2 ARG A 85 150.436 4.282 24.199 1.00 0.00 H new ATOM 0 HB3 ARG A 85 149.795 5.067 22.768 1.00 0.00 H new ATOM 0 HG2 ARG A 85 151.088 6.947 23.037 1.00 0.00 H new ATOM 0 HG3 ARG A 85 151.046 6.869 24.787 1.00 0.00 H new ATOM 0 HD2 ARG A 85 152.601 4.901 24.709 1.00 0.00 H new ATOM 0 HD3 ARG A 85 152.680 5.056 22.966 1.00 0.00 H new ATOM 0 HE ARG A 85 154.138 6.857 23.190 1.00 0.00 H new ATOM 0 HH11 ARG A 85 152.531 6.203 26.271 1.00 0.00 H new ATOM 0 HH12 ARG A 85 153.549 7.332 27.170 1.00 0.00 H new ATOM 0 HH21 ARG A 85 155.436 8.302 24.357 1.00 0.00 H new ATOM 0 HH22 ARG A 85 155.185 8.514 26.092 1.00 0.00 H new ATOM 1453 N ARG A 86 147.170 7.402 24.379 1.00 0.00 N ATOM 1454 CA ARG A 86 146.276 8.313 23.672 1.00 0.00 C ATOM 1455 C ARG A 86 146.463 9.747 24.159 1.00 0.00 C ATOM 1456 O ARG A 86 146.538 10.679 23.360 1.00 0.00 O ATOM 1457 CB ARG A 86 144.820 7.884 23.863 1.00 0.00 C ATOM 1458 CG ARG A 86 144.472 7.543 25.302 1.00 0.00 C ATOM 1459 CD ARG A 86 143.232 6.667 25.383 1.00 0.00 C ATOM 1460 NE ARG A 86 142.380 7.026 26.513 1.00 0.00 N ATOM 1461 CZ ARG A 86 141.610 8.112 26.545 1.00 0.00 C ATOM 1462 NH1 ARG A 86 141.582 8.945 25.512 1.00 0.00 N ATOM 1463 NH2 ARG A 86 140.865 8.365 27.612 1.00 0.00 N ATOM 0 H ARG A 86 147.169 7.512 25.393 1.00 0.00 H new ATOM 0 HA ARG A 86 146.523 8.273 22.611 1.00 0.00 H new ATOM 0 HB2 ARG A 86 144.166 8.685 23.519 1.00 0.00 H new ATOM 0 HB3 ARG A 86 144.620 7.017 23.234 1.00 0.00 H new ATOM 0 HG2 ARG A 86 145.313 7.030 25.769 1.00 0.00 H new ATOM 0 HG3 ARG A 86 144.307 8.462 25.865 1.00 0.00 H new ATOM 0 HD2 ARG A 86 142.663 6.758 24.457 1.00 0.00 H new ATOM 0 HD3 ARG A 86 143.531 5.623 25.472 1.00 0.00 H new ATOM 0 HE ARG A 86 142.374 6.409 27.325 1.00 0.00 H new ATOM 0 HH11 ARG A 86 142.152 8.755 24.688 1.00 0.00 H new ATOM 0 HH12 ARG A 86 140.990 9.775 25.542 1.00 0.00 H new ATOM 0 HH21 ARG A 86 140.882 7.728 28.408 1.00 0.00 H new ATOM 0 HH22 ARG A 86 140.275 9.197 27.637 1.00 0.00 H new ATOM 1477 N THR A 87 146.536 9.913 25.477 1.00 0.00 N ATOM 1478 CA THR A 87 146.714 11.232 26.077 1.00 0.00 C ATOM 1479 C THR A 87 145.548 12.151 25.728 1.00 0.00 C ATOM 1480 O THR A 87 144.900 11.984 24.694 1.00 0.00 O ATOM 1481 CB THR A 87 148.033 11.861 25.617 1.00 0.00 C ATOM 1482 OG1 THR A 87 147.880 12.486 24.354 1.00 0.00 O ATOM 1483 CG2 THR A 87 149.169 10.866 25.503 1.00 0.00 C ATOM 0 H THR A 87 146.475 9.149 26.151 1.00 0.00 H new ATOM 0 HA THR A 87 146.743 11.106 27.159 1.00 0.00 H new ATOM 0 HB THR A 87 148.287 12.587 26.389 1.00 0.00 H new ATOM 0 HG1 THR A 87 147.627 11.815 23.686 1.00 0.00 H new ATOM 0 HG21 THR A 87 150.071 11.380 25.173 1.00 0.00 H new ATOM 0 HG22 THR A 87 149.349 10.406 26.475 1.00 0.00 H new ATOM 0 HG23 THR A 87 148.906 10.095 24.779 1.00 0.00 H new ATOM 1491 N PHE A 88 145.286 13.121 26.597 1.00 0.00 N ATOM 1492 CA PHE A 88 144.197 14.067 26.381 1.00 0.00 C ATOM 1493 C PHE A 88 144.408 14.856 25.092 1.00 0.00 C ATOM 1494 O PHE A 88 145.467 15.506 24.965 1.00 0.00 O ATOM 1495 CB PHE A 88 144.085 15.027 27.567 1.00 0.00 C ATOM 1496 CG PHE A 88 143.191 14.522 28.664 1.00 0.00 C ATOM 1497 CD1 PHE A 88 141.878 14.170 28.398 1.00 0.00 C ATOM 1498 CD2 PHE A 88 143.665 14.401 29.961 1.00 0.00 C ATOM 1499 CE1 PHE A 88 141.053 13.706 29.406 1.00 0.00 C ATOM 1500 CE2 PHE A 88 142.845 13.937 30.973 1.00 0.00 C ATOM 1501 CZ PHE A 88 141.537 13.590 30.694 1.00 0.00 C ATOM 1502 OXT PHE A 88 143.513 14.814 24.222 1.00 0.00 O ATOM 0 H PHE A 88 145.812 13.273 27.457 1.00 0.00 H new ATOM 0 HA PHE A 88 143.270 13.501 26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 88 145.080 15.207 27.974 1.00 0.00 H new ATOM 0 HB3 PHE A 88 143.707 15.986 27.213 1.00 0.00 H new ATOM 0 HD1 PHE A 88 141.494 14.259 27.392 1.00 0.00 H new ATOM 0 HD2 PHE A 88 144.686 14.672 30.184 1.00 0.00 H new ATOM 0 HE1 PHE A 88 140.031 13.435 29.186 1.00 0.00 H new ATOM 0 HE2 PHE A 88 143.226 13.846 31.979 1.00 0.00 H new ATOM 0 HZ PHE A 88 140.894 13.228 31.483 1.00 0.00 H new TER 1512 PHE A 88