USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 72 HIS : no HD1:sc= 0.229 K(o=0.99,f=-3.4!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -151:sc= 0.766 (180deg=1.18) USER MOD Set 2.1: A 73 MET CE :methyl 157:sc= -0.0567 (180deg=-0.71) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= 0.935 K(o=0.86,f=0.015) USER MOD Set 3.2: A 69 GLN :FLIP amide:sc= -0.073 F(o=0.015,f=0.86) USER MOD Set 4.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 147:sc= 0.246 (180deg=0.00864) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0159 F(o=-1.5,f=-0.016) USER MOD Single : A 26 GLN : amide:sc= -0.541 K(o=-0.54,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.714 K(o=0.71,f=-2.6!) USER MOD Single : A 43 GLN : amide:sc= -0.0627 X(o=-0.063,f=-0.42) USER MOD Single : A 46 MET CE :methyl -172:sc= 0 (180deg=-0.0676) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0438 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -168:sc= -0.0474 (180deg=-0.507) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.928 K(o=0.93,f=-0.56) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0081 X(o=-0.0081,f=-0.01) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.32 K(o=1.3,f=-0.16) USER MOD Single : A 76 CYS SG : rot 160:sc= -0.475 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= 0.0247 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -176:sc= -0.295 (180deg=-0.321) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.339 K(o=-0.34,f=-6.6!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 6.953 15.786 12.274 1.00 0.00 N ATOM 2 CA GLN A 23 8.298 15.478 11.771 1.00 0.00 C ATOM 3 C GLN A 23 8.318 14.269 10.808 1.00 0.00 C ATOM 4 O GLN A 23 9.352 13.633 10.602 1.00 0.00 O ATOM 5 CB GLN A 23 9.290 15.336 12.944 1.00 0.00 C ATOM 6 CG GLN A 23 9.413 16.625 13.777 1.00 0.00 C ATOM 7 CD GLN A 23 10.452 16.488 14.889 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.144 16.169 16.032 1.00 0.00 O ATOM 9 NE2 GLN A 23 11.721 16.708 14.608 1.00 0.00 N ATOM 0 HA GLN A 23 8.627 16.320 11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.968 14.520 13.590 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.271 15.065 12.554 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.687 17.454 13.125 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.444 16.869 14.213 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.995 16.974 13.662 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.429 16.612 15.336 1.00 0.00 H new ATOM 18 N ILE A 24 7.159 13.957 10.218 1.00 0.00 N ATOM 19 CA ILE A 24 6.852 12.929 9.199 1.00 0.00 C ATOM 20 C ILE A 24 7.128 11.456 9.559 1.00 0.00 C ATOM 21 O ILE A 24 6.239 10.619 9.398 1.00 0.00 O ATOM 22 CB ILE A 24 7.435 13.355 7.825 1.00 0.00 C ATOM 23 CG1 ILE A 24 6.561 14.441 7.161 1.00 0.00 C ATOM 24 CG2 ILE A 24 7.590 12.143 6.898 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.269 15.204 6.032 1.00 0.00 C ATOM 0 H ILE A 24 6.315 14.473 10.466 1.00 0.00 H new ATOM 0 HA ILE A 24 5.763 12.910 9.146 1.00 0.00 H new ATOM 0 HB ILE A 24 8.423 13.780 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.660 13.975 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.241 15.152 7.923 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.000 12.467 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.264 11.419 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.616 11.681 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.591 15.949 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.155 15.700 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.564 14.505 5.250 1.00 0.00 H new ATOM 37 N ASN A 25 8.331 11.130 10.039 1.00 0.00 N ATOM 38 CA ASN A 25 8.778 9.781 10.427 1.00 0.00 C ATOM 39 C ASN A 25 8.894 8.778 9.245 1.00 0.00 C ATOM 40 O ASN A 25 8.498 7.612 9.324 1.00 0.00 O ATOM 41 CB ASN A 25 7.970 9.258 11.632 1.00 0.00 C ATOM 42 CG ASN A 25 8.345 9.909 12.953 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.502 11.212 12.949 1.00 0.00 O flip ATOM 44 ND2 ASN A 25 8.500 9.268 13.983 1.00 0.00 N flip ATOM 0 H ASN A 25 9.059 11.831 10.176 1.00 0.00 H new ATOM 0 HA ASN A 25 9.812 9.875 10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.909 9.423 11.445 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.115 8.181 11.715 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.376 8.256 13.977 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.753 9.746 14.848 1.00 0.00 H new ATOM 51 N GLN A 26 9.443 9.262 8.131 1.00 0.00 N ATOM 52 CA GLN A 26 9.705 8.553 6.866 1.00 0.00 C ATOM 53 C GLN A 26 11.173 8.695 6.419 1.00 0.00 C ATOM 54 O GLN A 26 12.004 9.193 7.179 1.00 0.00 O ATOM 55 CB GLN A 26 8.597 8.793 5.827 1.00 0.00 C ATOM 56 CG GLN A 26 7.554 7.670 5.990 1.00 0.00 C ATOM 57 CD GLN A 26 8.090 6.326 5.476 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.360 6.139 4.299 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.371 5.376 6.343 1.00 0.00 N ATOM 0 H GLN A 26 9.742 10.236 8.080 1.00 0.00 H new ATOM 0 HA GLN A 26 9.625 7.478 7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.136 9.769 5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.010 8.788 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.280 7.576 7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.647 7.933 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.156 5.507 7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.804 4.508 6.026 1.00 0.00 H new ATOM 68 N VAL A 27 11.527 8.205 5.229 1.00 0.00 N ATOM 69 CA VAL A 27 12.930 8.009 4.810 1.00 0.00 C ATOM 70 C VAL A 27 13.502 9.046 3.837 1.00 0.00 C ATOM 71 O VAL A 27 12.777 9.800 3.188 1.00 0.00 O ATOM 72 CB VAL A 27 13.084 6.601 4.188 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.893 5.495 5.231 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.095 6.372 3.035 1.00 0.00 C ATOM 0 H VAL A 27 10.849 7.929 4.519 1.00 0.00 H new ATOM 0 HA VAL A 27 13.509 8.132 5.725 1.00 0.00 H new ATOM 0 HB VAL A 27 14.101 6.555 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.009 4.522 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.639 5.605 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.895 5.571 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.237 5.371 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.075 6.471 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.270 7.111 2.253 1.00 0.00 H new ATOM 84 N ARG A 28 14.842 9.098 3.775 1.00 0.00 N ATOM 85 CA ARG A 28 15.622 10.080 3.008 1.00 0.00 C ATOM 86 C ARG A 28 16.222 9.470 1.721 1.00 0.00 C ATOM 87 O ARG A 28 16.930 8.464 1.812 1.00 0.00 O ATOM 88 CB ARG A 28 16.681 10.706 3.940 1.00 0.00 C ATOM 89 CG ARG A 28 17.566 11.750 3.235 1.00 0.00 C ATOM 90 CD ARG A 28 18.390 12.601 4.209 1.00 0.00 C ATOM 91 NE ARG A 28 19.493 11.852 4.841 1.00 0.00 N ATOM 92 CZ ARG A 28 20.451 12.377 5.586 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.521 13.655 5.840 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.375 11.615 6.100 1.00 0.00 N ATOM 0 H ARG A 28 15.432 8.434 4.276 1.00 0.00 H new ATOM 0 HA ARG A 28 14.965 10.874 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.179 11.176 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.314 9.915 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.241 11.240 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.935 12.405 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.800 13.459 3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.733 12.993 4.985 1.00 0.00 H new ATOM 0 HE ARG A 28 19.519 10.844 4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.820 14.290 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.277 14.019 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.361 10.610 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.112 12.024 6.674 1.00 0.00 H new ATOM 108 N PRO A 29 15.981 10.065 0.534 1.00 0.00 N ATOM 109 CA PRO A 29 16.640 9.693 -0.725 1.00 0.00 C ATOM 110 C PRO A 29 18.113 10.141 -0.772 1.00 0.00 C ATOM 111 O PRO A 29 18.532 11.026 -0.022 1.00 0.00 O ATOM 112 CB PRO A 29 15.819 10.396 -1.804 1.00 0.00 C ATOM 113 CG PRO A 29 15.285 11.647 -1.120 1.00 0.00 C ATOM 114 CD PRO A 29 15.072 11.186 0.315 1.00 0.00 C ATOM 0 HA PRO A 29 16.672 8.611 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.433 10.648 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.008 9.762 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.994 12.473 -1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.357 11.991 -1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.279 11.995 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.037 10.882 0.475 1.00 0.00 H new ATOM 122 N LYS A 30 18.892 9.575 -1.704 1.00 0.00 N ATOM 123 CA LYS A 30 20.268 10.015 -2.007 1.00 0.00 C ATOM 124 C LYS A 30 20.288 11.450 -2.568 1.00 0.00 C ATOM 125 O LYS A 30 19.285 11.948 -3.077 1.00 0.00 O ATOM 126 CB LYS A 30 20.920 8.992 -2.962 1.00 0.00 C ATOM 127 CG LYS A 30 22.456 8.970 -2.911 1.00 0.00 C ATOM 128 CD LYS A 30 23.021 8.082 -4.028 1.00 0.00 C ATOM 129 CE LYS A 30 24.551 8.008 -3.916 1.00 0.00 C ATOM 130 NZ LYS A 30 25.145 7.125 -4.959 1.00 0.00 N ATOM 0 H LYS A 30 18.584 8.789 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 30 20.855 10.050 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.546 7.997 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.605 9.212 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.843 9.984 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.788 8.599 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.594 7.081 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.738 8.483 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.970 9.010 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.825 7.637 -2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.179 7.103 -4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.765 6.162 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.906 7.493 -5.902 1.00 0.00 H new ATOM 144 N LEU A 31 21.450 12.103 -2.501 1.00 0.00 N ATOM 145 CA LEU A 31 21.665 13.518 -2.852 1.00 0.00 C ATOM 146 C LEU A 31 21.073 13.969 -4.207 1.00 0.00 C ATOM 147 O LEU A 31 20.366 14.974 -4.188 1.00 0.00 O ATOM 148 CB LEU A 31 23.167 13.865 -2.750 1.00 0.00 C ATOM 149 CG LEU A 31 23.784 13.750 -1.340 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.270 14.103 -1.403 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.117 14.679 -0.322 1.00 0.00 C ATOM 0 H LEU A 31 22.306 11.645 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 31 21.096 14.088 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.719 13.210 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.311 14.884 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 31 23.630 12.722 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.706 14.022 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.779 13.416 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.386 15.124 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.593 14.554 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.224 15.713 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.058 14.432 -0.243 1.00 0.00 H new ATOM 163 N PRO A 32 21.259 13.278 -5.356 1.00 0.00 N ATOM 164 CA PRO A 32 20.628 13.674 -6.627 1.00 0.00 C ATOM 165 C PRO A 32 19.122 13.777 -6.580 1.00 0.00 C ATOM 166 O PRO A 32 18.533 14.745 -7.063 1.00 0.00 O ATOM 167 CB PRO A 32 21.072 12.656 -7.684 1.00 0.00 C ATOM 168 CG PRO A 32 21.704 11.516 -6.886 1.00 0.00 C ATOM 169 CD PRO A 32 22.180 12.176 -5.597 1.00 0.00 C ATOM 0 HA PRO A 32 20.955 14.686 -6.866 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.226 12.304 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.786 13.095 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 32 20.983 10.724 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.532 11.062 -7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.170 11.469 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.204 12.536 -5.696 1.00 0.00 H new ATOM 177 N LEU A 33 18.498 12.797 -5.951 1.00 0.00 N ATOM 178 CA LEU A 33 17.063 12.788 -5.815 1.00 0.00 C ATOM 179 C LEU A 33 16.580 13.817 -4.784 1.00 0.00 C ATOM 180 O LEU A 33 15.633 14.551 -5.055 1.00 0.00 O ATOM 181 CB LEU A 33 16.707 11.339 -5.541 1.00 0.00 C ATOM 182 CG LEU A 33 15.246 11.142 -5.246 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.265 11.639 -6.314 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.965 9.653 -5.065 1.00 0.00 C ATOM 0 H LEU A 33 18.969 11.998 -5.527 1.00 0.00 H new ATOM 0 HA LEU A 33 16.536 13.117 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.983 10.733 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.295 10.979 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 33 15.076 11.743 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.243 11.442 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.399 12.711 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.454 11.118 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.906 9.506 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.228 9.119 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.560 9.269 -4.236 1.00 0.00 H new ATOM 196 N LEU A 34 17.280 13.971 -3.658 1.00 0.00 N ATOM 197 CA LEU A 34 17.000 15.039 -2.693 1.00 0.00 C ATOM 198 C LEU A 34 17.113 16.435 -3.340 1.00 0.00 C ATOM 199 O LEU A 34 16.288 17.300 -3.057 1.00 0.00 O ATOM 200 CB LEU A 34 17.948 14.868 -1.491 1.00 0.00 C ATOM 201 CG LEU A 34 17.624 15.762 -0.279 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.250 15.458 0.324 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.674 15.529 0.808 1.00 0.00 C ATOM 0 H LEU A 34 18.053 13.363 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 34 15.970 14.962 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.923 13.826 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.967 15.078 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 34 17.625 16.794 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.072 16.116 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.478 15.621 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.220 14.420 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.452 16.158 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.659 14.482 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.661 15.780 0.420 1.00 0.00 H new ATOM 215 N LYS A 35 18.052 16.634 -4.280 1.00 0.00 N ATOM 216 CA LYS A 35 18.210 17.875 -5.055 1.00 0.00 C ATOM 217 C LYS A 35 16.966 18.241 -5.861 1.00 0.00 C ATOM 218 O LYS A 35 16.554 19.392 -5.829 1.00 0.00 O ATOM 219 CB LYS A 35 19.443 17.771 -5.982 1.00 0.00 C ATOM 220 CG LYS A 35 20.211 19.099 -6.041 1.00 0.00 C ATOM 221 CD LYS A 35 21.036 19.334 -4.759 1.00 0.00 C ATOM 222 CE LYS A 35 22.357 18.544 -4.706 1.00 0.00 C ATOM 223 NZ LYS A 35 23.395 19.101 -5.621 1.00 0.00 N ATOM 0 H LYS A 35 18.737 15.920 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 35 18.359 18.679 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.104 16.982 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.124 17.488 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.874 19.099 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.508 19.921 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.258 20.398 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.429 19.064 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.738 18.548 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.165 17.504 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.263 18.534 -5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.046 19.073 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.601 20.085 -5.355 1.00 0.00 H new ATOM 237 N ILE A 36 16.332 17.274 -6.526 1.00 0.00 N ATOM 238 CA ILE A 36 15.083 17.470 -7.287 1.00 0.00 C ATOM 239 C ILE A 36 13.955 17.926 -6.345 1.00 0.00 C ATOM 240 O ILE A 36 13.268 18.906 -6.625 1.00 0.00 O ATOM 241 CB ILE A 36 14.731 16.164 -8.031 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.809 15.895 -9.103 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.341 16.210 -8.694 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.885 14.425 -9.505 1.00 0.00 C ATOM 0 H ILE A 36 16.673 16.313 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 36 15.215 18.256 -8.031 1.00 0.00 H new ATOM 0 HB ILE A 36 14.703 15.361 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.597 16.498 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.780 16.215 -8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.149 15.265 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.579 16.374 -7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.310 17.024 -9.418 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.659 14.294 -10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.126 13.821 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.924 14.109 -9.911 1.00 0.00 H new ATOM 256 N LEU A 37 13.803 17.273 -5.187 1.00 0.00 N ATOM 257 CA LEU A 37 12.770 17.575 -4.196 1.00 0.00 C ATOM 258 C LEU A 37 12.979 18.970 -3.588 1.00 0.00 C ATOM 259 O LEU A 37 12.041 19.753 -3.465 1.00 0.00 O ATOM 260 CB LEU A 37 12.819 16.461 -3.130 1.00 0.00 C ATOM 261 CG LEU A 37 12.258 15.084 -3.536 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.220 14.704 -5.015 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.986 13.974 -2.788 1.00 0.00 C ATOM 0 H LEU A 37 14.410 16.502 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 37 11.783 17.598 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.857 16.328 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.271 16.806 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 37 11.209 15.192 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.797 13.705 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.604 15.420 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.232 14.715 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.579 13.007 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.049 14.010 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.852 14.110 -1.715 1.00 0.00 H new ATOM 275 N HIS A 38 14.226 19.320 -3.270 1.00 0.00 N ATOM 276 CA HIS A 38 14.608 20.623 -2.716 1.00 0.00 C ATOM 277 C HIS A 38 14.508 21.749 -3.747 1.00 0.00 C ATOM 278 O HIS A 38 13.954 22.798 -3.426 1.00 0.00 O ATOM 279 CB HIS A 38 16.015 20.494 -2.112 1.00 0.00 C ATOM 280 CG HIS A 38 16.037 19.833 -0.747 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.126 19.820 0.131 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.974 19.238 -0.128 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.690 19.219 1.254 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.400 18.864 1.126 1.00 0.00 N ATOM 0 H HIS A 38 15.019 18.691 -3.393 1.00 0.00 H new ATOM 0 HA HIS A 38 13.905 20.905 -1.932 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.642 19.919 -2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.458 21.487 -2.032 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.988 19.090 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.292 19.046 2.134 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.835 18.398 1.836 1.00 0.00 H new ATOM 292 N ALA A 39 14.901 21.508 -5.002 1.00 0.00 N ATOM 293 CA ALA A 39 14.728 22.449 -6.111 1.00 0.00 C ATOM 294 C ALA A 39 13.248 22.775 -6.362 1.00 0.00 C ATOM 295 O ALA A 39 12.919 23.874 -6.816 1.00 0.00 O ATOM 296 CB ALA A 39 15.394 21.866 -7.361 1.00 0.00 C ATOM 0 H ALA A 39 15.356 20.638 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 39 15.206 23.394 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.272 22.558 -8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.456 21.712 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.929 20.912 -7.610 1.00 0.00 H new ATOM 302 N ALA A 40 12.354 21.846 -6.008 1.00 0.00 N ATOM 303 CA ALA A 40 10.919 22.073 -6.006 1.00 0.00 C ATOM 304 C ALA A 40 10.394 22.783 -4.740 1.00 0.00 C ATOM 305 O ALA A 40 9.327 23.396 -4.804 1.00 0.00 O ATOM 306 CB ALA A 40 10.221 20.727 -6.205 1.00 0.00 C ATOM 0 H ALA A 40 12.618 20.906 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 40 10.692 22.757 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.141 20.874 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.530 20.294 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.494 20.052 -5.394 1.00 0.00 H new ATOM 312 N GLY A 41 11.093 22.687 -3.600 1.00 0.00 N ATOM 313 CA GLY A 41 10.622 23.128 -2.281 1.00 0.00 C ATOM 314 C GLY A 41 9.879 22.023 -1.515 1.00 0.00 C ATOM 315 O GLY A 41 8.647 22.029 -1.450 1.00 0.00 O ATOM 0 H GLY A 41 12.031 22.288 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.474 23.464 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.961 23.986 -2.404 1.00 0.00 H new ATOM 319 N ALA A 42 10.630 21.077 -0.936 1.00 0.00 N ATOM 320 CA ALA A 42 10.104 20.005 -0.080 1.00 0.00 C ATOM 321 C ALA A 42 9.953 20.426 1.398 1.00 0.00 C ATOM 322 O ALA A 42 10.500 21.444 1.831 1.00 0.00 O ATOM 323 CB ALA A 42 10.983 18.760 -0.236 1.00 0.00 C ATOM 0 H ALA A 42 11.642 21.035 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 42 9.091 19.775 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.598 17.961 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.973 18.436 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.005 18.997 0.060 1.00 0.00 H new ATOM 329 N GLN A 43 9.242 19.610 2.188 1.00 0.00 N ATOM 330 CA GLN A 43 8.900 19.887 3.596 1.00 0.00 C ATOM 331 C GLN A 43 9.873 19.230 4.606 1.00 0.00 C ATOM 332 O GLN A 43 9.497 18.894 5.731 1.00 0.00 O ATOM 333 CB GLN A 43 7.411 19.549 3.819 1.00 0.00 C ATOM 334 CG GLN A 43 6.742 20.312 4.980 1.00 0.00 C ATOM 335 CD GLN A 43 6.583 21.822 4.760 1.00 0.00 C ATOM 336 OE1 GLN A 43 6.824 22.379 3.696 1.00 0.00 O ATOM 337 NE2 GLN A 43 6.156 22.554 5.770 1.00 0.00 N ATOM 0 H GLN A 43 8.878 18.715 1.860 1.00 0.00 H new ATOM 0 HA GLN A 43 9.034 20.950 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.863 19.760 2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.320 18.479 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.757 19.881 5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.328 20.152 5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.948 22.114 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.033 23.560 5.655 1.00 0.00 H new ATOM 346 N GLY A 44 11.129 19.021 4.198 1.00 0.00 N ATOM 347 CA GLY A 44 12.179 18.376 5.000 1.00 0.00 C ATOM 348 C GLY A 44 13.173 17.568 4.163 1.00 0.00 C ATOM 349 O GLY A 44 13.440 17.886 3.005 1.00 0.00 O ATOM 0 H GLY A 44 11.455 19.304 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.721 19.140 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.713 17.717 5.733 1.00 0.00 H new ATOM 353 N GLU A 45 13.705 16.499 4.758 1.00 0.00 N ATOM 354 CA GLU A 45 14.552 15.485 4.102 1.00 0.00 C ATOM 355 C GLU A 45 13.965 14.058 4.183 1.00 0.00 C ATOM 356 O GLU A 45 14.552 13.119 3.652 1.00 0.00 O ATOM 357 CB GLU A 45 15.961 15.507 4.718 1.00 0.00 C ATOM 358 CG GLU A 45 16.739 16.809 4.493 1.00 0.00 C ATOM 359 CD GLU A 45 18.119 16.765 5.184 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.861 15.761 5.036 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.479 17.745 5.884 1.00 0.00 O ATOM 0 H GLU A 45 13.556 16.303 5.748 1.00 0.00 H new ATOM 0 HA GLU A 45 14.597 15.746 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.877 15.331 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.537 14.679 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.870 16.976 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.163 17.650 4.879 1.00 0.00 H new ATOM 368 N MET A 46 12.825 13.881 4.857 1.00 0.00 N ATOM 369 CA MET A 46 12.191 12.591 5.173 1.00 0.00 C ATOM 370 C MET A 46 10.792 12.537 4.543 1.00 0.00 C ATOM 371 O MET A 46 9.931 13.324 4.934 1.00 0.00 O ATOM 372 CB MET A 46 12.055 12.477 6.701 1.00 0.00 C ATOM 373 CG MET A 46 13.397 12.240 7.397 1.00 0.00 C ATOM 374 SD MET A 46 13.293 12.009 9.198 1.00 0.00 S ATOM 375 CE MET A 46 12.761 13.660 9.734 1.00 0.00 C ATOM 0 H MET A 46 12.290 14.671 5.217 1.00 0.00 H new ATOM 0 HA MET A 46 12.797 11.774 4.781 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.604 13.390 7.091 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.376 11.659 6.941 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.867 11.360 6.959 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.052 13.087 7.191 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.791 13.716 10.822 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.429 14.412 9.313 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.744 13.844 9.389 1.00 0.00 H new ATOM 385 N PHE A 47 10.549 11.629 3.592 1.00 0.00 N ATOM 386 CA PHE A 47 9.249 11.479 2.915 1.00 0.00 C ATOM 387 C PHE A 47 9.033 10.059 2.356 1.00 0.00 C ATOM 388 O PHE A 47 9.977 9.290 2.162 1.00 0.00 O ATOM 389 CB PHE A 47 9.090 12.522 1.784 1.00 0.00 C ATOM 390 CG PHE A 47 10.233 13.501 1.601 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.479 13.035 1.146 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.078 14.854 1.956 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.557 13.923 1.025 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.147 15.750 1.795 1.00 0.00 C ATOM 395 CZ PHE A 47 12.383 15.288 1.312 1.00 0.00 C ATOM 0 H PHE A 47 11.254 10.969 3.265 1.00 0.00 H new ATOM 0 HA PHE A 47 8.485 11.652 3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.945 11.988 0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.180 13.092 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.606 11.993 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.136 15.203 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.523 13.558 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.019 16.794 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.198 15.981 1.162 1.00 0.00 H new ATOM 405 N THR A 48 7.781 9.709 2.071 1.00 0.00 N ATOM 406 CA THR A 48 7.380 8.463 1.381 1.00 0.00 C ATOM 407 C THR A 48 7.601 8.538 -0.136 1.00 0.00 C ATOM 408 O THR A 48 7.816 9.616 -0.677 1.00 0.00 O ATOM 409 CB THR A 48 5.894 8.191 1.638 1.00 0.00 C ATOM 410 OG1 THR A 48 5.180 9.321 1.209 1.00 0.00 O ATOM 411 CG2 THR A 48 5.582 7.959 3.106 1.00 0.00 C ATOM 0 H THR A 48 6.984 10.296 2.317 1.00 0.00 H new ATOM 0 HA THR A 48 8.003 7.662 1.779 1.00 0.00 H new ATOM 0 HB THR A 48 5.615 7.285 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.296 9.329 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.515 7.772 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.144 7.097 3.466 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.862 8.841 3.681 1.00 0.00 H new ATOM 419 N VAL A 49 7.455 7.416 -0.856 1.00 0.00 N ATOM 420 CA VAL A 49 7.428 7.308 -2.334 1.00 0.00 C ATOM 421 C VAL A 49 6.397 8.285 -2.914 1.00 0.00 C ATOM 422 O VAL A 49 6.692 9.072 -3.817 1.00 0.00 O ATOM 423 CB VAL A 49 7.119 5.853 -2.761 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.860 5.704 -4.266 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.295 4.934 -2.398 1.00 0.00 C ATOM 0 H VAL A 49 7.346 6.508 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 49 8.409 7.573 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 49 6.211 5.574 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.650 4.660 -4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.005 6.318 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.740 6.028 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.066 3.913 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.194 5.274 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.460 4.963 -1.321 1.00 0.00 H new ATOM 435 N LYS A 50 5.197 8.278 -2.322 1.00 0.00 N ATOM 436 CA LYS A 50 4.048 9.083 -2.715 1.00 0.00 C ATOM 437 C LYS A 50 4.229 10.582 -2.428 1.00 0.00 C ATOM 438 O LYS A 50 3.745 11.409 -3.199 1.00 0.00 O ATOM 439 CB LYS A 50 2.820 8.427 -2.065 1.00 0.00 C ATOM 440 CG LYS A 50 2.735 8.569 -0.538 1.00 0.00 C ATOM 441 CD LYS A 50 1.462 7.994 0.094 1.00 0.00 C ATOM 442 CE LYS A 50 1.419 6.460 0.027 1.00 0.00 C ATOM 443 NZ LYS A 50 0.178 5.920 0.650 1.00 0.00 N ATOM 0 H LYS A 50 4.997 7.681 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 50 3.916 9.088 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.921 8.860 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.819 7.366 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.599 8.075 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.805 9.626 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.400 8.312 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.590 8.402 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.475 6.139 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.291 6.048 0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.182 4.882 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.138 6.207 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.653 6.294 0.149 1.00 0.00 H new ATOM 457 N GLU A 51 4.990 10.945 -1.391 1.00 0.00 N ATOM 458 CA GLU A 51 5.414 12.330 -1.139 1.00 0.00 C ATOM 459 C GLU A 51 6.575 12.759 -2.050 1.00 0.00 C ATOM 460 O GLU A 51 6.508 13.836 -2.639 1.00 0.00 O ATOM 461 CB GLU A 51 5.803 12.513 0.333 1.00 0.00 C ATOM 462 CG GLU A 51 4.584 12.505 1.262 1.00 0.00 C ATOM 463 CD GLU A 51 4.997 12.615 2.746 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.849 11.821 3.217 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.444 13.494 3.456 1.00 0.00 O ATOM 0 H GLU A 51 5.333 10.282 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 51 4.564 12.971 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.487 11.717 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.340 13.454 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.925 13.334 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.016 11.587 1.109 1.00 0.00 H new ATOM 472 N VAL A 52 7.612 11.929 -2.242 1.00 0.00 N ATOM 473 CA VAL A 52 8.754 12.287 -3.095 1.00 0.00 C ATOM 474 C VAL A 52 8.325 12.562 -4.531 1.00 0.00 C ATOM 475 O VAL A 52 8.658 13.599 -5.101 1.00 0.00 O ATOM 476 CB VAL A 52 9.916 11.282 -3.061 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.646 11.287 -1.717 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.677 9.848 -3.490 1.00 0.00 C ATOM 0 H VAL A 52 7.682 11.004 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 52 9.142 13.207 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 52 10.529 11.687 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.459 10.561 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.053 12.280 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.948 11.023 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.605 9.282 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.916 9.399 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.338 9.830 -4.526 1.00 0.00 H new ATOM 488 N MET A 53 7.509 11.673 -5.091 1.00 0.00 N ATOM 489 CA MET A 53 6.920 11.869 -6.420 1.00 0.00 C ATOM 490 C MET A 53 5.952 13.066 -6.506 1.00 0.00 C ATOM 491 O MET A 53 5.810 13.639 -7.583 1.00 0.00 O ATOM 492 CB MET A 53 6.320 10.565 -6.962 1.00 0.00 C ATOM 493 CG MET A 53 4.942 10.231 -6.382 1.00 0.00 C ATOM 494 SD MET A 53 4.302 8.598 -6.846 1.00 0.00 S ATOM 495 CE MET A 53 4.272 8.761 -8.653 1.00 0.00 C ATOM 0 H MET A 53 7.236 10.799 -4.642 1.00 0.00 H new ATOM 0 HA MET A 53 7.741 12.145 -7.081 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.240 10.636 -8.047 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.004 9.744 -6.746 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.996 10.290 -5.295 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.232 10.991 -6.707 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.709 7.933 -9.084 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.797 9.703 -8.925 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.292 8.745 -9.037 1.00 0.00 H new ATOM 505 N HIS A 54 5.340 13.522 -5.405 1.00 0.00 N ATOM 506 CA HIS A 54 4.567 14.777 -5.420 1.00 0.00 C ATOM 507 C HIS A 54 5.486 15.984 -5.654 1.00 0.00 C ATOM 508 O HIS A 54 5.147 16.879 -6.432 1.00 0.00 O ATOM 509 CB HIS A 54 3.757 14.937 -4.128 1.00 0.00 C ATOM 510 CG HIS A 54 2.844 16.139 -4.161 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.582 16.185 -4.764 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.132 17.369 -3.644 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.140 17.444 -4.593 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.050 18.174 -3.925 1.00 0.00 N ATOM 0 H HIS A 54 5.362 13.049 -4.501 1.00 0.00 H new ATOM 0 HA HIS A 54 3.862 14.730 -6.250 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.163 14.038 -3.962 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.440 15.027 -3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.031 17.655 -3.118 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.188 17.816 -4.943 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.955 19.157 -3.670 1.00 0.00 H new ATOM 522 N TYR A 55 6.691 15.968 -5.071 1.00 0.00 N ATOM 523 CA TYR A 55 7.709 16.979 -5.361 1.00 0.00 C ATOM 524 C TYR A 55 8.233 16.888 -6.802 1.00 0.00 C ATOM 525 O TYR A 55 8.501 17.934 -7.382 1.00 0.00 O ATOM 526 CB TYR A 55 8.841 16.956 -4.327 1.00 0.00 C ATOM 527 CG TYR A 55 8.370 17.094 -2.890 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.602 18.206 -2.493 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.669 16.091 -1.954 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.090 18.289 -1.184 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.178 16.176 -0.641 1.00 0.00 C ATOM 532 CZ TYR A 55 7.379 17.269 -0.251 1.00 0.00 C ATOM 533 OH TYR A 55 6.907 17.343 1.025 1.00 0.00 O ATOM 0 H TYR A 55 6.983 15.263 -4.394 1.00 0.00 H new ATOM 0 HA TYR A 55 7.221 17.950 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.393 16.022 -4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.538 17.764 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.405 19.000 -3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.280 15.249 -2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.478 19.130 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.414 15.400 0.073 1.00 0.00 H new ATOM 0 HH TYR A 55 7.201 16.556 1.529 1.00 0.00 H new ATOM 543 N LEU A 56 8.315 15.706 -7.434 1.00 0.00 N ATOM 544 CA LEU A 56 8.587 15.605 -8.874 1.00 0.00 C ATOM 545 C LEU A 56 7.485 16.279 -9.701 1.00 0.00 C ATOM 546 O LEU A 56 7.787 17.058 -10.602 1.00 0.00 O ATOM 547 CB LEU A 56 8.711 14.137 -9.314 1.00 0.00 C ATOM 548 CG LEU A 56 10.106 13.552 -9.119 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.502 13.246 -7.680 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.232 12.253 -9.904 1.00 0.00 C ATOM 0 H LEU A 56 8.196 14.807 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 56 9.532 16.118 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.994 13.537 -8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.438 14.058 -10.366 1.00 0.00 H new ATOM 0 HG LEU A 56 10.776 14.337 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.511 12.835 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.472 14.163 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.806 12.521 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.230 11.838 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.488 11.540 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.068 12.451 -10.963 1.00 0.00 H new ATOM 562 N GLY A 57 6.217 16.028 -9.374 1.00 0.00 N ATOM 563 CA GLY A 57 5.091 16.649 -10.067 1.00 0.00 C ATOM 564 C GLY A 57 5.113 18.177 -9.976 1.00 0.00 C ATOM 565 O GLY A 57 5.079 18.867 -11.000 1.00 0.00 O ATOM 0 H GLY A 57 5.944 15.392 -8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.106 16.351 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.158 16.277 -9.643 1.00 0.00 H new ATOM 569 N GLN A 58 5.324 18.722 -8.770 1.00 0.00 N ATOM 570 CA GLN A 58 5.450 20.172 -8.590 1.00 0.00 C ATOM 571 C GLN A 58 6.741 20.727 -9.213 1.00 0.00 C ATOM 572 O GLN A 58 6.716 21.843 -9.726 1.00 0.00 O ATOM 573 CB GLN A 58 5.261 20.572 -7.113 1.00 0.00 C ATOM 574 CG GLN A 58 6.571 20.771 -6.329 1.00 0.00 C ATOM 575 CD GLN A 58 6.350 20.962 -4.823 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.433 20.428 -4.215 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.213 21.691 -4.150 1.00 0.00 N ATOM 0 H GLN A 58 5.410 18.182 -7.909 1.00 0.00 H new ATOM 0 HA GLN A 58 4.638 20.645 -9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.685 21.496 -7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.669 19.804 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.217 19.908 -6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.096 21.640 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.986 22.146 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.110 21.802 -3.141 1.00 0.00 H new ATOM 586 N TYR A 59 7.846 19.963 -9.223 1.00 0.00 N ATOM 587 CA TYR A 59 9.094 20.345 -9.885 1.00 0.00 C ATOM 588 C TYR A 59 8.834 20.540 -11.380 1.00 0.00 C ATOM 589 O TYR A 59 9.141 21.590 -11.923 1.00 0.00 O ATOM 590 CB TYR A 59 10.180 19.274 -9.672 1.00 0.00 C ATOM 591 CG TYR A 59 11.503 19.470 -10.393 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.613 19.109 -11.751 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.650 19.891 -9.690 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.868 19.094 -12.387 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.913 19.845 -10.315 1.00 0.00 C ATOM 596 CZ TYR A 59 14.028 19.413 -11.654 1.00 0.00 C ATOM 597 OH TYR A 59 15.252 19.320 -12.242 1.00 0.00 O ATOM 0 H TYR A 59 7.893 19.053 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 59 9.451 21.278 -9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.385 19.209 -8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.769 18.312 -9.977 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.727 18.842 -12.308 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.562 20.248 -8.675 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.942 18.839 -13.434 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.795 20.141 -9.767 1.00 0.00 H new ATOM 0 HH TYR A 59 15.945 19.577 -11.598 1.00 0.00 H new ATOM 607 N ILE A 60 8.205 19.569 -12.050 1.00 0.00 N ATOM 608 CA ILE A 60 7.887 19.662 -13.485 1.00 0.00 C ATOM 609 C ILE A 60 6.942 20.837 -13.744 1.00 0.00 C ATOM 610 O ILE A 60 7.144 21.582 -14.701 1.00 0.00 O ATOM 611 CB ILE A 60 7.270 18.339 -13.976 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.260 17.164 -13.857 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.782 18.455 -15.431 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.494 15.854 -13.668 1.00 0.00 C ATOM 0 H ILE A 60 7.901 18.697 -11.617 1.00 0.00 H new ATOM 0 HA ILE A 60 8.807 19.839 -14.042 1.00 0.00 H new ATOM 0 HB ILE A 60 6.416 18.137 -13.330 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.879 17.107 -14.752 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.932 17.327 -13.014 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.352 17.505 -15.747 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.025 19.237 -15.500 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.623 18.706 -16.078 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.201 15.028 -13.585 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.894 15.911 -12.760 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.841 15.688 -14.525 1.00 0.00 H new ATOM 626 N MET A 61 5.950 21.040 -12.875 1.00 0.00 N ATOM 627 CA MET A 61 5.006 22.155 -12.967 1.00 0.00 C ATOM 628 C MET A 61 5.728 23.520 -12.899 1.00 0.00 C ATOM 629 O MET A 61 5.553 24.345 -13.798 1.00 0.00 O ATOM 630 CB MET A 61 3.935 21.954 -11.882 1.00 0.00 C ATOM 631 CG MET A 61 2.659 22.775 -12.099 1.00 0.00 C ATOM 632 SD MET A 61 2.813 24.565 -11.833 1.00 0.00 S ATOM 633 CE MET A 61 2.265 25.161 -13.458 1.00 0.00 C ATOM 0 H MET A 61 5.778 20.427 -12.078 1.00 0.00 H new ATOM 0 HA MET A 61 4.510 22.166 -13.937 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.671 20.897 -11.839 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.361 22.215 -10.914 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.311 22.607 -13.118 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.886 22.393 -11.432 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.296 26.250 -13.475 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.924 24.767 -14.231 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.245 24.824 -13.644 1.00 0.00 H new ATOM 643 N VAL A 62 6.613 23.737 -11.913 1.00 0.00 N ATOM 644 CA VAL A 62 7.372 24.999 -11.760 1.00 0.00 C ATOM 645 C VAL A 62 8.470 25.176 -12.814 1.00 0.00 C ATOM 646 O VAL A 62 8.672 26.281 -13.319 1.00 0.00 O ATOM 647 CB VAL A 62 7.914 25.149 -10.322 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.076 24.224 -9.946 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.406 26.567 -10.057 1.00 0.00 C ATOM 0 H VAL A 62 6.826 23.044 -11.196 1.00 0.00 H new ATOM 0 HA VAL A 62 6.667 25.811 -11.938 1.00 0.00 H new ATOM 0 HB VAL A 62 7.050 24.877 -9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.375 24.416 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.761 23.185 -10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.920 24.412 -10.610 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.781 26.637 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.207 26.811 -10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.583 27.269 -10.190 1.00 0.00 H new ATOM 659 N LYS A 63 9.146 24.085 -13.190 1.00 0.00 N ATOM 660 CA LYS A 63 10.149 24.033 -14.271 1.00 0.00 C ATOM 661 C LYS A 63 9.553 24.021 -15.692 1.00 0.00 C ATOM 662 O LYS A 63 10.312 24.213 -16.638 1.00 0.00 O ATOM 663 CB LYS A 63 11.049 22.800 -14.084 1.00 0.00 C ATOM 664 CG LYS A 63 11.910 22.773 -12.817 1.00 0.00 C ATOM 665 CD LYS A 63 12.957 23.891 -12.746 1.00 0.00 C ATOM 666 CE LYS A 63 14.013 23.530 -11.692 1.00 0.00 C ATOM 667 NZ LYS A 63 15.115 22.706 -12.275 1.00 0.00 N ATOM 0 H LYS A 63 9.009 23.181 -12.738 1.00 0.00 H new ATOM 0 HA LYS A 63 10.723 24.956 -14.190 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.417 21.912 -14.087 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.709 22.724 -14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.258 22.845 -11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.418 21.810 -12.756 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.429 24.025 -13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.479 24.837 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.428 24.443 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.541 22.982 -10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.009 22.932 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.898 21.697 -12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.206 22.915 -13.290 1.00 0.00 H new ATOM 681 N GLN A 64 8.239 23.792 -15.843 1.00 0.00 N ATOM 682 CA GLN A 64 7.448 23.531 -17.051 1.00 0.00 C ATOM 683 C GLN A 64 8.173 22.606 -18.032 1.00 0.00 C ATOM 684 O GLN A 64 8.475 22.970 -19.170 1.00 0.00 O ATOM 685 CB GLN A 64 6.799 24.794 -17.639 1.00 0.00 C ATOM 686 CG GLN A 64 7.821 25.891 -17.925 1.00 0.00 C ATOM 687 CD GLN A 64 7.872 26.966 -16.839 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.900 27.653 -16.548 1.00 0.00 O ATOM 689 NE2 GLN A 64 9.003 27.158 -16.194 1.00 0.00 N ATOM 0 H GLN A 64 7.636 23.785 -15.020 1.00 0.00 H new ATOM 0 HA GLN A 64 6.576 22.947 -16.756 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.278 24.536 -18.561 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.049 25.172 -16.944 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.808 25.441 -18.028 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.583 26.360 -18.880 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.822 26.595 -16.423 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.060 27.869 -15.465 1.00 0.00 H new ATOM 698 N LEU A 65 8.447 21.380 -17.563 1.00 0.00 N ATOM 699 CA LEU A 65 9.134 20.348 -18.332 1.00 0.00 C ATOM 700 C LEU A 65 8.114 19.448 -19.033 1.00 0.00 C ATOM 701 O LEU A 65 8.290 18.240 -19.056 1.00 0.00 O ATOM 702 CB LEU A 65 10.163 19.557 -17.483 1.00 0.00 C ATOM 703 CG LEU A 65 11.248 20.380 -16.777 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.229 19.463 -16.052 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.037 21.282 -17.724 1.00 0.00 C ATOM 0 H LEU A 65 8.191 21.079 -16.623 1.00 0.00 H new ATOM 0 HA LEU A 65 9.728 20.837 -19.104 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.618 18.992 -16.727 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.654 18.831 -18.132 1.00 0.00 H new ATOM 0 HG LEU A 65 10.720 21.019 -16.070 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.991 20.064 -15.557 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.694 18.872 -15.309 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.704 18.796 -16.772 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.787 21.835 -17.159 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.530 20.672 -18.481 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.358 21.983 -18.209 1.00 0.00 H new ATOM 717 N TYR A 66 7.007 20.003 -19.529 1.00 0.00 N ATOM 718 CA TYR A 66 5.937 19.229 -20.173 1.00 0.00 C ATOM 719 C TYR A 66 5.447 19.818 -21.512 1.00 0.00 C ATOM 720 O TYR A 66 5.715 20.980 -21.829 1.00 0.00 O ATOM 721 CB TYR A 66 4.776 19.023 -19.195 1.00 0.00 C ATOM 722 CG TYR A 66 4.172 20.320 -18.708 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.194 20.978 -19.470 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.649 20.899 -17.526 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.684 22.223 -19.054 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.117 22.124 -17.075 1.00 0.00 C ATOM 727 CZ TYR A 66 3.137 22.793 -17.842 1.00 0.00 C ATOM 728 OH TYR A 66 2.651 23.991 -17.413 1.00 0.00 O ATOM 0 H TYR A 66 6.824 21.006 -19.497 1.00 0.00 H new ATOM 0 HA TYR A 66 6.370 18.263 -20.433 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.002 18.428 -19.680 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.129 18.449 -18.338 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.830 20.527 -20.381 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.425 20.407 -16.959 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.952 22.739 -19.657 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.458 22.551 -16.144 1.00 0.00 H new ATOM 0 HH TYR A 66 3.073 24.229 -16.561 1.00 0.00 H new ATOM 738 N ASP A 67 4.718 19.021 -22.304 1.00 0.00 N ATOM 739 CA ASP A 67 4.170 19.443 -23.604 1.00 0.00 C ATOM 740 C ASP A 67 2.900 20.311 -23.496 1.00 0.00 C ATOM 741 O ASP A 67 2.050 20.139 -22.622 1.00 0.00 O ATOM 742 CB ASP A 67 3.896 18.237 -24.520 1.00 0.00 C ATOM 743 CG ASP A 67 3.928 18.577 -26.029 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.006 19.774 -26.405 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.846 17.634 -26.850 1.00 0.00 O ATOM 0 H ASP A 67 4.489 18.057 -22.061 1.00 0.00 H new ATOM 0 HA ASP A 67 4.946 20.069 -24.045 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.636 17.463 -24.316 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.920 17.819 -24.272 1.00 0.00 H new ATOM 750 N GLN A 68 2.742 21.198 -24.472 1.00 0.00 N ATOM 751 CA GLN A 68 1.600 22.079 -24.710 1.00 0.00 C ATOM 752 C GLN A 68 0.368 21.278 -25.169 1.00 0.00 C ATOM 753 O GLN A 68 -0.764 21.571 -24.779 1.00 0.00 O ATOM 754 CB GLN A 68 1.967 23.058 -25.846 1.00 0.00 C ATOM 755 CG GLN A 68 3.387 23.662 -25.820 1.00 0.00 C ATOM 756 CD GLN A 68 4.103 23.535 -27.167 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.386 24.516 -27.844 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.433 22.337 -27.619 1.00 0.00 N ATOM 0 H GLN A 68 3.468 21.332 -25.176 1.00 0.00 H new ATOM 0 HA GLN A 68 1.367 22.600 -23.781 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.837 22.539 -26.796 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.250 23.879 -25.831 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.326 24.714 -25.543 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.976 23.163 -25.050 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.208 21.506 -27.072 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.913 22.244 -28.514 1.00 0.00 H new ATOM 767 N GLN A 69 0.606 20.258 -26.004 1.00 0.00 N ATOM 768 CA GLN A 69 -0.449 19.439 -26.621 1.00 0.00 C ATOM 769 C GLN A 69 -1.098 18.456 -25.628 1.00 0.00 C ATOM 770 O GLN A 69 -2.307 18.222 -25.687 1.00 0.00 O ATOM 771 CB GLN A 69 0.114 18.671 -27.833 1.00 0.00 C ATOM 772 CG GLN A 69 0.105 19.472 -29.146 1.00 0.00 C ATOM 773 CD GLN A 69 0.955 20.740 -29.108 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.263 20.623 -29.045 1.00 0.00 O flip ATOM 775 NE2 GLN A 69 0.458 21.859 -29.127 1.00 0.00 N flip ATOM 0 H GLN A 69 1.548 19.974 -26.274 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.231 20.124 -26.949 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.137 18.367 -27.613 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.466 17.759 -27.973 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.463 18.832 -29.952 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.923 19.743 -29.387 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.555 21.966 -29.176 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.057 22.684 -29.094 1.00 0.00 H new ATOM 784 N GLU A 70 -0.309 17.890 -24.708 1.00 0.00 N ATOM 785 CA GLU A 70 -0.764 16.942 -23.679 1.00 0.00 C ATOM 786 C GLU A 70 0.145 17.066 -22.445 1.00 0.00 C ATOM 787 O GLU A 70 1.294 16.620 -22.449 1.00 0.00 O ATOM 788 CB GLU A 70 -0.788 15.520 -24.280 1.00 0.00 C ATOM 789 CG GLU A 70 -1.022 14.387 -23.279 1.00 0.00 C ATOM 790 CD GLU A 70 -0.985 12.989 -23.934 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.065 12.694 -24.737 1.00 0.00 O ATOM 792 OE2 GLU A 70 -1.865 12.148 -23.621 1.00 0.00 O ATOM 0 H GLU A 70 0.691 18.082 -24.655 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.779 17.167 -23.351 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.569 15.478 -25.039 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.160 15.343 -24.788 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.263 14.437 -22.498 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.988 14.530 -22.795 1.00 0.00 H new ATOM 799 N GLN A 71 -0.370 17.690 -21.380 1.00 0.00 N ATOM 800 CA GLN A 71 0.407 18.051 -20.185 1.00 0.00 C ATOM 801 C GLN A 71 0.969 16.834 -19.439 1.00 0.00 C ATOM 802 O GLN A 71 1.973 16.955 -18.738 1.00 0.00 O ATOM 803 CB GLN A 71 -0.478 18.871 -19.238 1.00 0.00 C ATOM 804 CG GLN A 71 -0.614 20.355 -19.615 1.00 0.00 C ATOM 805 CD GLN A 71 -1.351 20.626 -20.926 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.562 20.799 -20.968 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.662 20.672 -22.045 1.00 0.00 N ATOM 0 H GLN A 71 -1.351 17.963 -21.321 1.00 0.00 H new ATOM 0 HA GLN A 71 1.263 18.635 -20.522 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.472 18.424 -19.212 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.070 18.802 -18.229 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.135 20.872 -18.810 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.383 20.790 -19.680 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.348 20.530 -22.028 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.137 20.850 -22.930 1.00 0.00 H new ATOM 816 N HIS A 72 0.365 15.653 -19.613 1.00 0.00 N ATOM 817 CA HIS A 72 0.887 14.381 -19.124 1.00 0.00 C ATOM 818 C HIS A 72 2.309 14.094 -19.591 1.00 0.00 C ATOM 819 O HIS A 72 3.022 13.384 -18.890 1.00 0.00 O ATOM 820 CB HIS A 72 0.056 13.215 -19.682 1.00 0.00 C ATOM 821 CG HIS A 72 -1.427 13.369 -19.579 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.175 14.313 -20.273 1.00 0.00 N ATOM 823 CD2 HIS A 72 -2.260 12.493 -18.961 1.00 0.00 C ATOM 824 CE1 HIS A 72 -3.457 13.997 -20.067 1.00 0.00 C ATOM 825 NE2 HIS A 72 -3.545 12.919 -19.257 1.00 0.00 N ATOM 0 H HIS A 72 -0.521 15.558 -20.110 1.00 0.00 H new ATOM 0 HA HIS A 72 0.850 14.463 -18.038 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.317 13.077 -20.731 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.345 12.304 -19.159 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.979 11.640 -18.362 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.300 14.526 -20.487 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.409 12.492 -18.921 1.00 0.00 H new ATOM 833 N MET A 73 2.677 14.541 -20.796 1.00 0.00 N ATOM 834 CA MET A 73 3.926 14.175 -21.451 1.00 0.00 C ATOM 835 C MET A 73 5.054 15.091 -20.976 1.00 0.00 C ATOM 836 O MET A 73 5.018 16.304 -21.193 1.00 0.00 O ATOM 837 CB MET A 73 3.742 14.207 -22.976 1.00 0.00 C ATOM 838 CG MET A 73 4.942 13.580 -23.689 1.00 0.00 C ATOM 839 SD MET A 73 5.182 11.818 -23.327 1.00 0.00 S ATOM 840 CE MET A 73 6.822 11.608 -24.056 1.00 0.00 C ATOM 0 H MET A 73 2.102 15.177 -21.348 1.00 0.00 H new ATOM 0 HA MET A 73 4.205 13.157 -21.180 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.833 13.670 -23.247 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.615 15.237 -23.309 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.818 13.705 -24.765 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.843 14.124 -23.407 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.315 10.749 -23.601 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.725 11.445 -25.129 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.417 12.504 -23.878 1.00 0.00 H new ATOM 850 N VAL A 74 6.051 14.501 -20.320 1.00 0.00 N ATOM 851 CA VAL A 74 7.141 15.202 -19.632 1.00 0.00 C ATOM 852 C VAL A 74 8.430 15.064 -20.464 1.00 0.00 C ATOM 853 O VAL A 74 8.708 14.001 -21.025 1.00 0.00 O ATOM 854 CB VAL A 74 7.334 14.624 -18.214 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.354 15.443 -17.422 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.029 14.620 -17.402 1.00 0.00 C ATOM 0 H VAL A 74 6.128 13.486 -20.248 1.00 0.00 H new ATOM 0 HA VAL A 74 6.895 16.259 -19.531 1.00 0.00 H new ATOM 0 HB VAL A 74 7.680 13.601 -18.358 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.471 15.014 -16.427 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.313 15.427 -17.939 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.006 16.472 -17.335 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.218 14.204 -16.412 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.659 15.641 -17.302 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.283 14.012 -17.915 1.00 0.00 H new ATOM 866 N TYR A 75 9.225 16.132 -20.520 1.00 0.00 N ATOM 867 CA TYR A 75 10.463 16.287 -21.282 1.00 0.00 C ATOM 868 C TYR A 75 11.573 16.895 -20.394 1.00 0.00 C ATOM 869 O TYR A 75 11.810 18.105 -20.394 1.00 0.00 O ATOM 870 CB TYR A 75 10.173 17.144 -22.524 1.00 0.00 C ATOM 871 CG TYR A 75 9.425 16.371 -23.588 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.081 15.305 -24.230 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.086 16.673 -23.906 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.403 14.528 -25.181 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.412 15.910 -24.880 1.00 0.00 C ATOM 876 CZ TYR A 75 8.066 14.836 -25.521 1.00 0.00 C ATOM 877 OH TYR A 75 7.405 14.107 -26.464 1.00 0.00 O ATOM 0 H TYR A 75 9.003 16.976 -19.993 1.00 0.00 H new ATOM 0 HA TYR A 75 10.828 15.315 -21.613 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.589 18.017 -22.233 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.112 17.512 -22.937 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.110 15.084 -23.990 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.579 17.485 -23.406 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.902 13.695 -25.653 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.390 16.148 -25.137 1.00 0.00 H new ATOM 0 HH TYR A 75 6.496 14.457 -26.570 1.00 0.00 H new ATOM 887 N CYS A 76 12.255 16.047 -19.618 1.00 0.00 N ATOM 888 CA CYS A 76 13.312 16.397 -18.659 1.00 0.00 C ATOM 889 C CYS A 76 14.744 16.448 -19.229 1.00 0.00 C ATOM 890 O CYS A 76 15.698 16.554 -18.456 1.00 0.00 O ATOM 891 CB CYS A 76 13.235 15.448 -17.452 1.00 0.00 C ATOM 892 SG CYS A 76 11.680 15.657 -16.545 1.00 0.00 S ATOM 0 H CYS A 76 12.076 15.043 -19.642 1.00 0.00 H new ATOM 0 HA CYS A 76 13.113 17.427 -18.362 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.324 14.416 -17.792 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.076 15.637 -16.784 1.00 0.00 H new ATOM 0 HG CYS A 76 11.452 14.599 -15.825 1.00 0.00 H new ATOM 898 N GLY A 77 14.926 16.357 -20.551 1.00 0.00 N ATOM 899 CA GLY A 77 16.253 16.369 -21.185 1.00 0.00 C ATOM 900 C GLY A 77 17.087 17.599 -20.785 1.00 0.00 C ATOM 901 O GLY A 77 16.693 18.737 -21.049 1.00 0.00 O ATOM 0 H GLY A 77 14.156 16.273 -21.215 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.792 15.463 -20.908 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.135 16.351 -22.268 1.00 0.00 H new ATOM 905 N GLY A 78 18.233 17.362 -20.136 1.00 0.00 N ATOM 906 CA GLY A 78 19.149 18.397 -19.634 1.00 0.00 C ATOM 907 C GLY A 78 18.897 18.890 -18.195 1.00 0.00 C ATOM 908 O GLY A 78 19.677 19.708 -17.703 1.00 0.00 O ATOM 0 H GLY A 78 18.560 16.416 -19.939 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.167 18.010 -19.690 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.097 19.255 -20.304 1.00 0.00 H new ATOM 912 N ASP A 79 17.861 18.404 -17.499 1.00 0.00 N ATOM 913 CA ASP A 79 17.569 18.713 -16.091 1.00 0.00 C ATOM 914 C ASP A 79 17.937 17.546 -15.149 1.00 0.00 C ATOM 915 O ASP A 79 18.061 16.397 -15.582 1.00 0.00 O ATOM 916 CB ASP A 79 16.093 19.125 -15.970 1.00 0.00 C ATOM 917 CG ASP A 79 15.941 20.657 -15.959 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.802 21.266 -17.046 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.979 21.261 -14.859 1.00 0.00 O ATOM 0 H ASP A 79 17.181 17.765 -17.912 1.00 0.00 H new ATOM 0 HA ASP A 79 18.194 19.546 -15.770 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.527 18.707 -16.802 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.670 18.709 -15.056 1.00 0.00 H new ATOM 924 N LEU A 80 18.086 17.823 -13.842 1.00 0.00 N ATOM 925 CA LEU A 80 18.521 16.833 -12.838 1.00 0.00 C ATOM 926 C LEU A 80 17.586 15.620 -12.813 1.00 0.00 C ATOM 927 O LEU A 80 18.039 14.478 -12.803 1.00 0.00 O ATOM 928 CB LEU A 80 18.555 17.487 -11.439 1.00 0.00 C ATOM 929 CG LEU A 80 19.698 17.054 -10.498 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.771 15.551 -10.240 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.059 17.534 -10.999 1.00 0.00 C ATOM 0 H LEU A 80 17.907 18.747 -13.448 1.00 0.00 H new ATOM 0 HA LEU A 80 19.519 16.491 -13.111 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.613 18.568 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.608 17.277 -10.942 1.00 0.00 H new ATOM 0 HG LEU A 80 19.454 17.534 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.603 15.337 -9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.840 15.215 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.922 15.027 -11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.837 17.208 -10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.252 17.114 -11.986 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.061 18.622 -11.061 1.00 0.00 H new ATOM 943 N LEU A 81 16.272 15.876 -12.859 1.00 0.00 N ATOM 944 CA LEU A 81 15.265 14.822 -12.946 1.00 0.00 C ATOM 945 C LEU A 81 15.478 13.890 -14.157 1.00 0.00 C ATOM 946 O LEU A 81 15.383 12.673 -14.010 1.00 0.00 O ATOM 947 CB LEU A 81 13.870 15.480 -12.904 1.00 0.00 C ATOM 948 CG LEU A 81 12.678 14.512 -13.046 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.708 13.354 -12.048 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.372 15.275 -12.827 1.00 0.00 C ATOM 0 H LEU A 81 15.883 16.819 -12.837 1.00 0.00 H new ATOM 0 HA LEU A 81 15.359 14.154 -12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.769 16.018 -11.962 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.812 16.221 -13.702 1.00 0.00 H new ATOM 0 HG LEU A 81 12.748 14.094 -14.050 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.840 12.714 -12.207 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.618 12.772 -12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.687 13.749 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.530 14.591 -12.927 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.368 15.711 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.285 16.068 -13.569 1.00 0.00 H new ATOM 962 N GLY A 82 15.843 14.432 -15.322 1.00 0.00 N ATOM 963 CA GLY A 82 16.172 13.646 -16.519 1.00 0.00 C ATOM 964 C GLY A 82 17.475 12.856 -16.372 1.00 0.00 C ATOM 965 O GLY A 82 17.541 11.687 -16.754 1.00 0.00 O ATOM 0 H GLY A 82 15.920 15.439 -15.464 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.356 12.955 -16.730 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.253 14.315 -17.376 1.00 0.00 H new ATOM 969 N GLU A 83 18.494 13.453 -15.745 1.00 0.00 N ATOM 970 CA GLU A 83 19.775 12.790 -15.473 1.00 0.00 C ATOM 971 C GLU A 83 19.603 11.601 -14.508 1.00 0.00 C ATOM 972 O GLU A 83 20.196 10.541 -14.722 1.00 0.00 O ATOM 973 CB GLU A 83 20.823 13.837 -15.033 1.00 0.00 C ATOM 974 CG GLU A 83 21.460 13.618 -13.654 1.00 0.00 C ATOM 975 CD GLU A 83 22.613 14.602 -13.350 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.690 15.704 -13.947 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.475 14.266 -12.500 1.00 0.00 O ATOM 0 H GLU A 83 18.454 14.415 -15.410 1.00 0.00 H new ATOM 0 HA GLU A 83 20.161 12.339 -16.387 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.618 13.860 -15.778 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.350 14.819 -15.040 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.693 13.720 -12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.837 12.597 -13.594 1.00 0.00 H new ATOM 984 N LEU A 84 18.738 11.739 -13.494 1.00 0.00 N ATOM 985 CA LEU A 84 18.387 10.669 -12.566 1.00 0.00 C ATOM 986 C LEU A 84 17.538 9.564 -13.221 1.00 0.00 C ATOM 987 O LEU A 84 17.785 8.378 -13.002 1.00 0.00 O ATOM 988 CB LEU A 84 17.671 11.309 -11.367 1.00 0.00 C ATOM 989 CG LEU A 84 17.215 10.288 -10.317 1.00 0.00 C ATOM 990 CD1 LEU A 84 18.384 9.524 -9.695 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.487 11.019 -9.206 1.00 0.00 C ATOM 0 H LEU A 84 18.257 12.616 -13.297 1.00 0.00 H new ATOM 0 HA LEU A 84 19.295 10.164 -12.238 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.339 12.030 -10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.804 11.864 -11.725 1.00 0.00 H new ATOM 0 HG LEU A 84 16.570 9.569 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.005 8.815 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.922 8.985 -10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.060 10.227 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.158 10.302 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.158 11.745 -8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.620 11.536 -9.618 1.00 0.00 H new ATOM 1003 N LEU A 85 16.561 9.951 -14.046 1.00 0.00 N ATOM 1004 CA LEU A 85 15.759 9.034 -14.868 1.00 0.00 C ATOM 1005 C LEU A 85 16.624 8.244 -15.873 1.00 0.00 C ATOM 1006 O LEU A 85 16.296 7.102 -16.197 1.00 0.00 O ATOM 1007 CB LEU A 85 14.677 9.855 -15.605 1.00 0.00 C ATOM 1008 CG LEU A 85 13.333 9.860 -14.866 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.485 11.040 -15.320 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.558 8.575 -15.157 1.00 0.00 C ATOM 0 H LEU A 85 16.299 10.929 -14.165 1.00 0.00 H new ATOM 0 HA LEU A 85 15.293 8.296 -14.215 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.025 10.881 -15.726 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.535 9.447 -16.606 1.00 0.00 H new ATOM 0 HG LEU A 85 13.540 9.936 -13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.534 11.031 -14.787 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.012 11.970 -15.106 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.301 10.965 -16.392 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.607 8.595 -14.625 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.373 8.497 -16.228 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.141 7.716 -14.826 1.00 0.00 H new ATOM 1022 N GLY A 86 17.711 8.845 -16.376 1.00 0.00 N ATOM 1023 CA GLY A 86 18.559 8.283 -17.440 1.00 0.00 C ATOM 1024 C GLY A 86 17.932 8.382 -18.841 1.00 0.00 C ATOM 1025 O GLY A 86 18.395 7.736 -19.784 1.00 0.00 O ATOM 0 H GLY A 86 18.034 9.755 -16.048 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.517 8.802 -17.442 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.764 7.236 -17.215 1.00 0.00 H new ATOM 1029 N ARG A 87 16.853 9.168 -18.959 1.00 0.00 N ATOM 1030 CA ARG A 87 16.004 9.375 -20.144 1.00 0.00 C ATOM 1031 C ARG A 87 15.345 10.748 -20.074 1.00 0.00 C ATOM 1032 O ARG A 87 14.968 11.218 -19.002 1.00 0.00 O ATOM 1033 CB ARG A 87 14.973 8.233 -20.280 1.00 0.00 C ATOM 1034 CG ARG A 87 14.081 8.051 -19.043 1.00 0.00 C ATOM 1035 CD ARG A 87 13.241 6.777 -19.091 1.00 0.00 C ATOM 1036 NE ARG A 87 12.126 6.898 -20.046 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.464 5.940 -20.666 1.00 0.00 C ATOM 1038 NH1 ARG A 87 11.741 4.676 -20.511 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.488 6.266 -21.459 1.00 0.00 N ATOM 0 H ARG A 87 16.524 9.720 -18.167 1.00 0.00 H new ATOM 0 HA ARG A 87 16.620 9.351 -21.043 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.341 8.428 -21.146 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.502 7.300 -20.475 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.707 8.033 -18.151 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.419 8.912 -18.950 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.873 5.935 -19.373 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.848 6.562 -18.097 1.00 0.00 H new ATOM 0 HE ARG A 87 11.826 7.850 -20.256 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.498 4.392 -19.889 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.201 3.970 -21.012 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.246 7.248 -21.593 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.964 5.540 -21.948 1.00 0.00 H new ATOM 1053 N GLN A 88 15.180 11.368 -21.237 1.00 0.00 N ATOM 1054 CA GLN A 88 14.566 12.691 -21.374 1.00 0.00 C ATOM 1055 C GLN A 88 13.045 12.684 -21.227 1.00 0.00 C ATOM 1056 O GLN A 88 12.471 13.750 -21.057 1.00 0.00 O ATOM 1057 CB GLN A 88 14.983 13.290 -22.725 1.00 0.00 C ATOM 1058 CG GLN A 88 14.437 12.563 -23.968 1.00 0.00 C ATOM 1059 CD GLN A 88 15.045 13.114 -25.259 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.976 12.557 -25.827 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.563 14.230 -25.770 1.00 0.00 N ATOM 0 H GLN A 88 15.472 10.963 -22.126 1.00 0.00 H new ATOM 0 HA GLN A 88 14.929 13.308 -20.552 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.654 14.329 -22.759 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.072 13.298 -22.779 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.653 11.497 -23.890 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.353 12.667 -24.003 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.788 14.708 -25.311 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.965 14.615 -26.624 1.00 0.00 H new ATOM 1070 N SER A 89 12.382 11.531 -21.321 1.00 0.00 N ATOM 1071 CA SER A 89 10.904 11.506 -21.410 1.00 0.00 C ATOM 1072 C SER A 89 10.176 10.287 -20.825 1.00 0.00 C ATOM 1073 O SER A 89 10.677 9.162 -20.820 1.00 0.00 O ATOM 1074 CB SER A 89 10.476 11.701 -22.870 1.00 0.00 C ATOM 1075 OG SER A 89 11.023 10.688 -23.704 1.00 0.00 O ATOM 0 H SER A 89 12.826 10.613 -21.338 1.00 0.00 H new ATOM 0 HA SER A 89 10.594 12.328 -20.764 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.388 11.685 -22.938 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.803 12.680 -23.220 1.00 0.00 H new ATOM 0 HG SER A 89 10.734 10.834 -24.629 1.00 0.00 H new ATOM 1081 N PHE A 90 8.961 10.546 -20.335 1.00 0.00 N ATOM 1082 CA PHE A 90 7.952 9.636 -19.761 1.00 0.00 C ATOM 1083 C PHE A 90 6.607 10.409 -19.695 1.00 0.00 C ATOM 1084 O PHE A 90 6.559 11.588 -20.065 1.00 0.00 O ATOM 1085 CB PHE A 90 8.398 9.185 -18.358 1.00 0.00 C ATOM 1086 CG PHE A 90 8.457 10.301 -17.338 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.577 11.151 -17.292 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.367 10.527 -16.477 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.603 12.230 -16.397 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.391 11.608 -15.582 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.519 12.447 -15.527 1.00 0.00 C ATOM 0 H PHE A 90 8.617 11.506 -20.328 1.00 0.00 H new ATOM 0 HA PHE A 90 7.835 8.743 -20.375 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.712 8.417 -18.000 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.383 8.724 -18.433 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.417 10.972 -17.946 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.512 9.868 -16.505 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.455 12.894 -16.376 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.545 11.795 -14.937 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.553 13.259 -14.816 1.00 0.00 H new ATOM 1101 N SER A 91 5.521 9.807 -19.195 1.00 0.00 N ATOM 1102 CA SER A 91 4.265 10.525 -18.936 1.00 0.00 C ATOM 1103 C SER A 91 3.577 10.157 -17.621 1.00 0.00 C ATOM 1104 O SER A 91 3.884 9.155 -16.978 1.00 0.00 O ATOM 1105 CB SER A 91 3.268 10.288 -20.077 1.00 0.00 C ATOM 1106 OG SER A 91 2.893 8.923 -20.094 1.00 0.00 O ATOM 0 H SER A 91 5.487 8.815 -18.960 1.00 0.00 H new ATOM 0 HA SER A 91 4.556 11.573 -18.865 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.388 10.917 -19.943 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.716 10.566 -21.031 1.00 0.00 H new ATOM 0 HG SER A 91 2.384 8.734 -20.910 1.00 0.00 H new ATOM 1112 N VAL A 92 2.565 10.954 -17.264 1.00 0.00 N ATOM 1113 CA VAL A 92 1.611 10.662 -16.178 1.00 0.00 C ATOM 1114 C VAL A 92 0.842 9.347 -16.447 1.00 0.00 C ATOM 1115 O VAL A 92 0.472 8.648 -15.501 1.00 0.00 O ATOM 1116 CB VAL A 92 0.667 11.865 -16.001 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.511 11.645 -15.056 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.427 13.115 -15.533 1.00 0.00 C ATOM 0 H VAL A 92 2.378 11.842 -17.730 1.00 0.00 H new ATOM 0 HA VAL A 92 2.154 10.510 -15.245 1.00 0.00 H new ATOM 0 HB VAL A 92 0.252 12.003 -16.999 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.111 12.554 -15.004 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.126 10.825 -15.426 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.139 11.399 -14.062 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.729 13.944 -15.419 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.908 12.911 -14.576 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.185 13.378 -16.271 1.00 0.00 H new ATOM 1128 N LYS A 93 0.650 8.964 -17.726 1.00 0.00 N ATOM 1129 CA LYS A 93 0.075 7.663 -18.134 1.00 0.00 C ATOM 1130 C LYS A 93 1.052 6.487 -17.959 1.00 0.00 C ATOM 1131 O LYS A 93 0.610 5.356 -17.750 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.392 7.711 -19.604 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.578 8.651 -19.882 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.011 8.527 -21.357 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.357 9.199 -21.673 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.274 10.683 -21.751 1.00 0.00 N ATOM 0 H LYS A 93 0.894 9.559 -18.518 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.773 7.491 -17.471 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.449 8.018 -20.226 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.667 6.703 -19.915 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.413 8.401 -19.227 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.297 9.681 -19.662 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.240 8.967 -21.989 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.074 7.471 -21.619 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.733 8.813 -22.621 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.081 8.923 -20.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.188 11.097 -21.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.532 11.024 -21.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.044 10.967 -22.725 1.00 0.00 H new ATOM 1150 N ASP A 94 2.360 6.739 -18.042 1.00 0.00 N ATOM 1151 CA ASP A 94 3.440 5.742 -17.999 1.00 0.00 C ATOM 1152 C ASP A 94 4.471 6.049 -16.880 1.00 0.00 C ATOM 1153 O ASP A 94 5.576 6.526 -17.166 1.00 0.00 O ATOM 1154 CB ASP A 94 4.077 5.657 -19.397 1.00 0.00 C ATOM 1155 CG ASP A 94 5.170 4.576 -19.492 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.022 3.499 -18.865 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.161 4.779 -20.236 1.00 0.00 O ATOM 0 H ASP A 94 2.716 7.689 -18.146 1.00 0.00 H new ATOM 0 HA ASP A 94 3.031 4.765 -17.741 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.300 5.447 -20.133 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.507 6.625 -19.655 1.00 0.00 H new ATOM 1162 N PRO A 95 4.126 5.802 -15.597 1.00 0.00 N ATOM 1163 CA PRO A 95 4.946 6.180 -14.437 1.00 0.00 C ATOM 1164 C PRO A 95 6.176 5.284 -14.202 1.00 0.00 C ATOM 1165 O PRO A 95 7.074 5.659 -13.450 1.00 0.00 O ATOM 1166 CB PRO A 95 3.984 6.091 -13.246 1.00 0.00 C ATOM 1167 CG PRO A 95 3.021 4.978 -13.650 1.00 0.00 C ATOM 1168 CD PRO A 95 2.865 5.223 -15.149 1.00 0.00 C ATOM 0 HA PRO A 95 5.373 7.171 -14.592 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.510 5.851 -12.322 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.462 7.033 -13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.428 3.989 -13.438 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.069 5.050 -13.123 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.654 4.293 -15.676 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.033 5.898 -15.349 1.00 0.00 H new ATOM 1176 N SER A 96 6.236 4.104 -14.823 1.00 0.00 N ATOM 1177 CA SER A 96 7.217 3.037 -14.565 1.00 0.00 C ATOM 1178 C SER A 96 8.694 3.461 -14.441 1.00 0.00 C ATOM 1179 O SER A 96 9.339 2.991 -13.498 1.00 0.00 O ATOM 1180 CB SER A 96 7.087 1.950 -15.640 1.00 0.00 C ATOM 1181 OG SER A 96 5.759 1.439 -15.656 1.00 0.00 O ATOM 0 H SER A 96 5.572 3.850 -15.555 1.00 0.00 H new ATOM 0 HA SER A 96 6.958 2.673 -13.571 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.339 2.361 -16.617 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.793 1.144 -15.441 1.00 0.00 H new ATOM 0 HG SER A 96 5.683 0.747 -16.346 1.00 0.00 H new ATOM 1187 N PRO A 97 9.275 4.348 -15.285 1.00 0.00 N ATOM 1188 CA PRO A 97 10.694 4.689 -15.139 1.00 0.00 C ATOM 1189 C PRO A 97 11.005 5.537 -13.892 1.00 0.00 C ATOM 1190 O PRO A 97 12.152 5.556 -13.446 1.00 0.00 O ATOM 1191 CB PRO A 97 11.074 5.399 -16.435 1.00 0.00 C ATOM 1192 CG PRO A 97 9.772 6.055 -16.880 1.00 0.00 C ATOM 1193 CD PRO A 97 8.724 5.026 -16.464 1.00 0.00 C ATOM 0 HA PRO A 97 11.287 3.789 -14.979 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.859 6.137 -16.272 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.445 4.698 -17.182 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.614 7.016 -16.390 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.757 6.238 -17.954 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.775 5.508 -16.230 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.532 4.316 -17.269 1.00 0.00 H new ATOM 1201 N LEU A 98 10.008 6.189 -13.274 1.00 0.00 N ATOM 1202 CA LEU A 98 10.169 6.865 -11.986 1.00 0.00 C ATOM 1203 C LEU A 98 10.511 5.844 -10.896 1.00 0.00 C ATOM 1204 O LEU A 98 11.493 5.977 -10.174 1.00 0.00 O ATOM 1205 CB LEU A 98 8.851 7.577 -11.616 1.00 0.00 C ATOM 1206 CG LEU A 98 8.315 8.594 -12.635 1.00 0.00 C ATOM 1207 CD1 LEU A 98 6.935 9.088 -12.206 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.253 9.789 -12.718 1.00 0.00 C ATOM 0 H LEU A 98 9.066 6.260 -13.658 1.00 0.00 H new ATOM 0 HA LEU A 98 10.977 7.592 -12.064 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.086 6.818 -11.456 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.995 8.090 -10.665 1.00 0.00 H new ATOM 0 HG LEU A 98 8.247 8.106 -13.607 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.564 9.808 -12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.248 8.244 -12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.007 9.565 -11.229 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.866 10.506 -13.443 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.324 10.264 -11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.242 9.454 -13.031 1.00 0.00 H new ATOM 1220 N TYR A 99 9.731 4.768 -10.826 1.00 0.00 N ATOM 1221 CA TYR A 99 9.917 3.703 -9.846 1.00 0.00 C ATOM 1222 C TYR A 99 11.260 2.989 -10.059 1.00 0.00 C ATOM 1223 O TYR A 99 11.971 2.708 -9.095 1.00 0.00 O ATOM 1224 CB TYR A 99 8.711 2.759 -9.929 1.00 0.00 C ATOM 1225 CG TYR A 99 7.429 3.360 -9.369 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.680 4.317 -10.097 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.998 2.963 -8.087 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.501 4.854 -9.540 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.818 3.494 -7.536 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.061 4.436 -8.262 1.00 0.00 C ATOM 1231 OH TYR A 99 3.907 4.923 -7.726 1.00 0.00 O ATOM 0 H TYR A 99 8.944 4.610 -11.455 1.00 0.00 H new ATOM 0 HA TYR A 99 9.963 4.112 -8.837 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.548 2.481 -10.970 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.940 1.842 -9.387 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.011 4.634 -11.075 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.578 2.246 -7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.931 5.588 -10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.491 3.180 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 99 3.762 4.524 -6.843 1.00 0.00 H new ATOM 1241 N ASP A 100 11.681 2.815 -11.314 1.00 0.00 N ATOM 1242 CA ASP A 100 13.003 2.283 -11.668 1.00 0.00 C ATOM 1243 C ASP A 100 14.171 3.180 -11.235 1.00 0.00 C ATOM 1244 O ASP A 100 15.233 2.677 -10.876 1.00 0.00 O ATOM 1245 CB ASP A 100 13.070 2.094 -13.176 1.00 0.00 C ATOM 1246 CG ASP A 100 14.158 1.090 -13.591 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.119 -0.072 -13.119 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.051 1.453 -14.392 1.00 0.00 O ATOM 0 H ASP A 100 11.107 3.042 -12.126 1.00 0.00 H new ATOM 0 HA ASP A 100 13.112 1.340 -11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.102 1.749 -13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.265 3.055 -13.652 1.00 0.00 H new ATOM 1253 N MET A 101 13.975 4.501 -11.240 1.00 0.00 N ATOM 1254 CA MET A 101 14.927 5.461 -10.652 1.00 0.00 C ATOM 1255 C MET A 101 14.845 5.600 -9.124 1.00 0.00 C ATOM 1256 O MET A 101 15.860 5.909 -8.508 1.00 0.00 O ATOM 1257 CB MET A 101 15.082 6.771 -11.436 1.00 0.00 C ATOM 1258 CG MET A 101 13.983 7.807 -11.253 1.00 0.00 C ATOM 1259 SD MET A 101 13.866 8.606 -9.629 1.00 0.00 S ATOM 1260 CE MET A 101 12.202 9.307 -9.750 1.00 0.00 C ATOM 0 H MET A 101 13.152 4.941 -11.651 1.00 0.00 H new ATOM 0 HA MET A 101 15.898 4.985 -10.790 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.031 7.227 -11.154 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.148 6.528 -12.496 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.122 8.585 -12.004 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.027 7.328 -11.464 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.990 9.898 -8.859 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.139 9.945 -10.632 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.473 8.501 -9.832 1.00 0.00 H new ATOM 1270 N LEU A 102 13.691 5.387 -8.478 1.00 0.00 N ATOM 1271 CA LEU A 102 13.584 5.415 -7.023 1.00 0.00 C ATOM 1272 C LEU A 102 14.219 4.159 -6.440 1.00 0.00 C ATOM 1273 O LEU A 102 14.985 4.276 -5.499 1.00 0.00 O ATOM 1274 CB LEU A 102 12.113 5.531 -6.564 1.00 0.00 C ATOM 1275 CG LEU A 102 11.398 6.859 -6.872 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.983 6.830 -6.299 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.112 8.082 -6.304 1.00 0.00 C ATOM 0 H LEU A 102 12.810 5.191 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 102 14.113 6.296 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.547 4.723 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.078 5.367 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 102 11.391 6.951 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.482 7.772 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.425 6.008 -6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.031 6.689 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.552 8.982 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.180 7.993 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.115 8.147 -6.726 1.00 0.00 H new ATOM 1289 N ARG A 103 14.023 2.976 -7.034 1.00 0.00 N ATOM 1290 CA ARG A 103 14.396 1.694 -6.409 1.00 0.00 C ATOM 1291 C ARG A 103 15.871 1.536 -5.994 1.00 0.00 C ATOM 1292 O ARG A 103 16.175 0.841 -5.025 1.00 0.00 O ATOM 1293 CB ARG A 103 13.857 0.547 -7.263 1.00 0.00 C ATOM 1294 CG ARG A 103 14.583 0.266 -8.579 1.00 0.00 C ATOM 1295 CD ARG A 103 13.950 -0.967 -9.223 1.00 0.00 C ATOM 1296 NE ARG A 103 14.511 -1.223 -10.562 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.456 -2.070 -10.920 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.062 -2.866 -10.083 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.795 -2.107 -12.172 1.00 0.00 N ATOM 0 H ARG A 103 13.603 2.876 -7.958 1.00 0.00 H new ATOM 0 HA ARG A 103 13.914 1.671 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.878 -0.362 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.811 0.755 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.506 1.125 -9.246 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.645 0.097 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.114 -1.836 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.872 -0.826 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 103 14.112 -0.667 -11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.811 -2.853 -9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.787 -3.501 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.334 -1.493 -12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.522 -2.750 -12.485 1.00 0.00 H new ATOM 1313 N LYS A 104 16.763 2.235 -6.705 1.00 0.00 N ATOM 1314 CA LYS A 104 18.204 2.397 -6.434 1.00 0.00 C ATOM 1315 C LYS A 104 18.657 3.747 -5.838 1.00 0.00 C ATOM 1316 O LYS A 104 19.800 3.839 -5.396 1.00 0.00 O ATOM 1317 CB LYS A 104 19.020 2.003 -7.686 1.00 0.00 C ATOM 1318 CG LYS A 104 18.439 2.267 -9.085 1.00 0.00 C ATOM 1319 CD LYS A 104 17.923 3.685 -9.370 1.00 0.00 C ATOM 1320 CE LYS A 104 18.867 4.892 -9.342 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.005 4.752 -10.303 1.00 0.00 N ATOM 0 H LYS A 104 16.481 2.740 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 104 18.414 1.710 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.977 2.521 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.230 0.936 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.208 2.032 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.618 1.569 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.462 3.664 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.128 3.885 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.304 5.795 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.261 5.018 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.614 5.593 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.560 3.906 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.633 4.659 -11.270 1.00 0.00 H new ATOM 1335 N ASN A 105 17.817 4.794 -5.816 1.00 0.00 N ATOM 1336 CA ASN A 105 18.158 6.099 -5.195 1.00 0.00 C ATOM 1337 C ASN A 105 17.507 6.319 -3.822 1.00 0.00 C ATOM 1338 O ASN A 105 17.993 7.100 -3.006 1.00 0.00 O ATOM 1339 CB ASN A 105 17.805 7.258 -6.136 1.00 0.00 C ATOM 1340 CG ASN A 105 18.975 8.217 -6.248 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.935 9.351 -5.817 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.086 7.770 -6.785 1.00 0.00 N ATOM 0 H ASN A 105 16.883 4.768 -6.225 1.00 0.00 H new ATOM 0 HA ASN A 105 19.235 6.075 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.548 6.870 -7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.928 7.785 -5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.906 8.374 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.129 6.818 -7.150 1.00 0.00 H new ATOM 1349 N LEU A 106 16.374 5.659 -3.606 1.00 0.00 N ATOM 1350 CA LEU A 106 15.530 5.744 -2.422 1.00 0.00 C ATOM 1351 C LEU A 106 15.199 4.341 -1.890 1.00 0.00 C ATOM 1352 O LEU A 106 14.549 3.530 -2.549 1.00 0.00 O ATOM 1353 CB LEU A 106 14.295 6.563 -2.825 1.00 0.00 C ATOM 1354 CG LEU A 106 13.117 6.538 -1.849 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.495 7.034 -0.451 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.996 7.439 -2.349 1.00 0.00 C ATOM 0 H LEU A 106 15.998 5.010 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 106 16.031 6.243 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.602 7.600 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.946 6.202 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 106 12.803 5.496 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.620 6.994 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.281 6.400 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.853 8.062 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.165 7.411 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.363 8.462 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.657 7.090 -3.324 1.00 0.00 H new ATOM 1368 N VAL A 107 15.626 4.092 -0.652 1.00 0.00 N ATOM 1369 CA VAL A 107 15.379 2.842 0.088 1.00 0.00 C ATOM 1370 C VAL A 107 14.211 3.056 1.054 1.00 0.00 C ATOM 1371 O VAL A 107 14.354 3.737 2.070 1.00 0.00 O ATOM 1372 CB VAL A 107 16.655 2.348 0.806 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.415 1.012 1.521 1.00 0.00 C ATOM 1374 CG2 VAL A 107 17.807 2.139 -0.189 1.00 0.00 C ATOM 0 H VAL A 107 16.169 4.769 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 107 15.107 2.053 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 107 16.916 3.119 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.333 0.694 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 107 15.626 1.133 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.115 0.258 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 107 18.691 1.791 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 107 17.516 1.396 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 107 18.032 3.081 -0.688 1.00 0.00 H new ATOM 1384 N THR A 108 13.043 2.500 0.717 1.00 0.00 N ATOM 1385 CA THR A 108 11.803 2.598 1.514 1.00 0.00 C ATOM 1386 C THR A 108 11.587 1.381 2.429 1.00 0.00 C ATOM 1387 O THR A 108 12.353 0.413 2.404 1.00 0.00 O ATOM 1388 CB THR A 108 10.597 2.916 0.609 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.455 3.238 1.374 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.206 1.780 -0.337 1.00 0.00 C ATOM 0 H THR A 108 12.924 1.955 -0.137 1.00 0.00 H new ATOM 0 HA THR A 108 11.911 3.438 2.200 1.00 0.00 H new ATOM 0 HB THR A 108 10.928 3.764 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.705 3.437 0.775 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.349 2.085 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.045 1.548 -0.993 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.944 0.896 0.245 1.00 0.00 H new ATOM 1398 N LEU A 109 10.544 1.444 3.262 1.00 0.00 N ATOM 1399 CA LEU A 109 10.188 0.428 4.263 1.00 0.00 C ATOM 1400 C LEU A 109 9.789 -0.903 3.593 1.00 0.00 C ATOM 1401 O LEU A 109 10.274 -1.967 3.987 1.00 0.00 O ATOM 1402 CB LEU A 109 9.068 1.015 5.145 1.00 0.00 C ATOM 1403 CG LEU A 109 8.899 0.340 6.523 1.00 0.00 C ATOM 1404 CD1 LEU A 109 8.181 1.301 7.472 1.00 0.00 C ATOM 1405 CD2 LEU A 109 8.078 -0.949 6.479 1.00 0.00 C ATOM 0 H LEU A 109 9.898 2.234 3.259 1.00 0.00 H new ATOM 0 HA LEU A 109 11.046 0.187 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.266 2.076 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.125 0.942 4.604 1.00 0.00 H new ATOM 0 HG LEU A 109 9.905 0.091 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.060 0.828 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.770 2.212 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.201 1.550 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.002 -1.366 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.080 -0.732 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.567 -1.669 5.823 1.00 0.00 H new ATOM 1417 N ALA A 110 8.970 -0.808 2.536 1.00 0.00 N ATOM 1418 CA ALA A 110 8.448 -1.905 1.714 1.00 0.00 C ATOM 1419 C ALA A 110 7.644 -2.987 2.481 1.00 0.00 C ATOM 1420 O ALA A 110 7.407 -2.890 3.689 1.00 0.00 O ATOM 1421 CB ALA A 110 9.593 -2.463 0.846 1.00 0.00 C ATOM 0 H ALA A 110 8.633 0.099 2.212 1.00 0.00 H new ATOM 0 HA ALA A 110 7.679 -1.492 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 110 9.218 -3.280 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 110 9.981 -1.673 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.391 -2.832 1.490 1.00 0.00 H new ATOM 1427 N THR A 111 7.161 -4.002 1.754 1.00 0.00 N ATOM 1428 CA THR A 111 6.297 -5.083 2.266 1.00 0.00 C ATOM 1429 C THR A 111 6.603 -6.454 1.653 1.00 0.00 C ATOM 1430 O THR A 111 7.222 -6.562 0.582 1.00 0.00 O ATOM 1431 CB THR A 111 4.823 -4.707 2.062 1.00 0.00 C ATOM 1432 OG1 THR A 111 4.002 -5.627 2.754 1.00 0.00 O ATOM 1433 CG2 THR A 111 4.368 -4.666 0.598 1.00 0.00 C ATOM 0 H THR A 111 7.365 -4.100 0.760 1.00 0.00 H new ATOM 0 HA THR A 111 6.509 -5.184 3.330 1.00 0.00 H new ATOM 0 HB THR A 111 4.726 -3.693 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.061 -5.386 2.626 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.314 -4.392 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.959 -3.929 0.054 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.507 -5.648 0.146 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.383 13.600 -11.667 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.939 14.084 -10.914 1.00 0.00 C HETATM 1444 CG2 48M A 200 1.035 11.769 -10.740 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.684 15.340 -13.301 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.375 14.394 -12.209 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.810 13.408 -10.051 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.596 10.760 -9.880 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.891 11.420 -11.789 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.833 14.716 -13.809 1.00 0.00 C HETATM 1451 CD6 48M A 200 -0.130 16.408 -14.031 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.632 13.979 -12.650 1.00 0.00 C HETATM 1453 CE2 48M A 200 5.057 12.983 -10.498 1.00 0.00 C HETATM 1454 CE3 48M A 200 1.038 9.445 -10.033 1.00 0.00 C HETATM 1455 CE4 48M A 200 2.375 10.123 -11.915 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.449 15.163 -14.970 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.766 16.864 -15.194 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.465 13.264 -11.793 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.939 9.127 -11.047 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.926 16.247 -15.661 1.00 0.00 C HETATM 1461 CL2 48M A 200 7.012 12.709 -12.316 1.00 0.00 CL HETATM 1462 CL1 48M A 200 3.547 9.774 -13.136 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.605 16.713 -16.844 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.608 16.638 -15.523 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.135 18.199 -13.603 1.00 0.00 C HETATM 1466 NM1 48M A 200 -3.175 17.067 -17.771 1.00 0.00 N HETATM 1467 C1 48M A 200 -0.949 20.059 -10.688 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.116 19.568 -10.248 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.867 21.257 -10.887 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.357 18.143 -10.007 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.061 17.620 -10.902 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.495 17.249 -10.916 1.00 0.00 C HETATM 1473 N3 48M A 200 0.829 15.458 -11.202 1.00 0.00 N HETATM 1474 C4 48M A 200 0.210 19.091 -10.915 1.00 0.00 C HETATM 1475 C5 48M A 200 0.980 16.745 -10.811 1.00 0.00 C HETATM 1476 O5 48M A 200 2.035 17.124 -10.342 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.136 14.804 -12.013 1.00 0.00 C HETATM 1478 O6 48M A 200 1.076 16.961 -13.640 1.00 0.00 O HETATM 1479 C7 48M A 200 0.502 13.196 -10.553 1.00 0.00 C HETATM 1480 C8 48M A 200 1.511 14.390 -10.445 1.00 0.00 C HETATM 1481 C9 48M A 200 2.023 17.636 -14.505 1.00 0.00 C