USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 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 77 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 78 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.7!) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 30 ASN : amide:sc= -2.28! C(o=-2.3!,f=-3.2!) USER MOD Set 3.2: A 32 HIS :FLIP no HD1:sc= -0.0229 F(o=-3,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.87! (180deg=-1.99!) USER MOD Single : A 4 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.7!) USER MOD Single : A 6 THR OG1 : rot -150:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.75! C(o=-1.7!,f=-4.2!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.2 F(o=-6.4!,f=-2.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= -1.52 (180deg=-1.52) USER MOD Single : A 26 GLN : amide:sc= -0.251 K(o=-0.25,f=-0.99) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 170:sc= -0.179 USER MOD Single : A 37 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.4) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= -0.241 (180deg=-1.01) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -5.71! C(o=-5.7!,f=-14!) USER MOD Single : A 63 GLN : amide:sc=-0.00464 K(o=-0.0046,f=-1.7!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.384 USER MOD Single : A 67 TYR OH : rot 90:sc= 0.252 USER MOD Single : A 71 SER OG : rot 180:sc= -1.04 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.423 F(o=-3.4!,f=-0.42) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.362 K(o=-0.36,f=-5.4!) USER MOD Single : A 89 SER OG : rot -81:sc= 0.605 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 0.516 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.9!) USER MOD Single : A 105 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.67) USER MOD Single : A 106 HIS : no HE2:sc= -2.32! C(o=-2.3!,f=-4.9!) USER MOD Single : A 107 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-5.8!) USER MOD Single : A 108 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-0.96) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.604 8.447 -11.327 1.00 0.00 N ATOM 2 CA MET A 1 -10.656 9.182 -10.567 1.00 0.00 C ATOM 3 C MET A 1 -11.752 8.193 -10.165 1.00 0.00 C ATOM 4 O MET A 1 -12.578 8.463 -9.314 1.00 0.00 O ATOM 5 CB MET A 1 -11.250 10.279 -11.452 1.00 0.00 C ATOM 6 CG MET A 1 -12.160 11.174 -10.610 1.00 0.00 C ATOM 7 SD MET A 1 -12.776 12.538 -11.630 1.00 0.00 S ATOM 8 CE MET A 1 -12.774 13.813 -10.344 1.00 0.00 C ATOM 0 H1 MET A 1 -8.869 9.114 -11.636 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.178 7.721 -10.716 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.031 7.992 -12.159 1.00 0.00 H new ATOM 0 HA MET A 1 -10.225 9.638 -9.676 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.452 10.872 -11.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.816 9.834 -12.271 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.995 10.594 -10.216 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.611 11.565 -9.753 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.126 14.755 -10.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.433 13.510 -9.530 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.762 13.943 -9.962 1.00 0.00 H new ATOM 20 N GLU A 2 -11.750 7.042 -10.776 1.00 0.00 N ATOM 21 CA GLU A 2 -12.770 6.002 -10.448 1.00 0.00 C ATOM 22 C GLU A 2 -12.349 5.240 -9.175 1.00 0.00 C ATOM 23 O GLU A 2 -13.177 4.904 -8.352 1.00 0.00 O ATOM 24 CB GLU A 2 -12.905 5.016 -11.635 1.00 0.00 C ATOM 25 CG GLU A 2 -12.467 5.699 -12.936 1.00 0.00 C ATOM 26 CD GLU A 2 -13.198 7.034 -13.085 1.00 0.00 C ATOM 27 OE1 GLU A 2 -14.287 7.153 -12.550 1.00 0.00 O ATOM 28 OE2 GLU A 2 -12.656 7.915 -13.732 1.00 0.00 O ATOM 0 H GLU A 2 -11.080 6.773 -11.496 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.732 6.483 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.294 4.132 -11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.938 4.678 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.389 5.862 -12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.686 5.056 -13.788 1.00 0.00 H new ATOM 35 N PRO A 3 -11.076 4.959 -9.017 1.00 0.00 N ATOM 36 CA PRO A 3 -10.561 4.210 -7.832 1.00 0.00 C ATOM 37 C PRO A 3 -10.830 4.947 -6.512 1.00 0.00 C ATOM 38 O PRO A 3 -10.829 6.162 -6.447 1.00 0.00 O ATOM 39 CB PRO A 3 -9.042 4.076 -8.090 1.00 0.00 C ATOM 40 CG PRO A 3 -8.853 4.374 -9.545 1.00 0.00 C ATOM 41 CD PRO A 3 -9.985 5.321 -9.939 1.00 0.00 C ATOM 0 HA PRO A 3 -11.059 3.246 -7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.476 4.772 -7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.690 3.074 -7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.881 4.834 -9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.887 3.459 -10.137 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.693 6.365 -9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.278 5.185 -10.980 1.00 0.00 H new ATOM 49 N GLN A 4 -11.056 4.215 -5.456 1.00 0.00 N ATOM 50 CA GLN A 4 -11.317 4.864 -4.142 1.00 0.00 C ATOM 51 C GLN A 4 -9.981 5.104 -3.432 1.00 0.00 C ATOM 52 O GLN A 4 -9.613 4.407 -2.504 1.00 0.00 O ATOM 53 CB GLN A 4 -12.204 3.943 -3.300 1.00 0.00 C ATOM 54 CG GLN A 4 -13.532 3.701 -4.035 1.00 0.00 C ATOM 55 CD GLN A 4 -13.340 2.643 -5.126 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.763 1.600 -4.886 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.805 2.869 -6.325 1.00 0.00 N ATOM 0 H GLN A 4 -11.071 3.195 -5.447 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.824 5.818 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.697 2.995 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.392 4.393 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.294 3.373 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.887 4.632 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.289 3.744 -6.528 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.684 2.171 -7.059 1.00 0.00 H new ATOM 66 N LEU A 5 -9.252 6.097 -3.871 1.00 0.00 N ATOM 67 CA LEU A 5 -7.934 6.405 -3.244 1.00 0.00 C ATOM 68 C LEU A 5 -8.151 6.958 -1.836 1.00 0.00 C ATOM 69 O LEU A 5 -9.097 7.676 -1.576 1.00 0.00 O ATOM 70 CB LEU A 5 -7.207 7.447 -4.097 1.00 0.00 C ATOM 71 CG LEU A 5 -7.048 6.921 -5.528 1.00 0.00 C ATOM 72 CD1 LEU A 5 -6.379 7.994 -6.395 1.00 0.00 C ATOM 73 CD2 LEU A 5 -6.183 5.648 -5.525 1.00 0.00 C ATOM 0 H LEU A 5 -9.516 6.711 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.336 5.496 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.767 8.382 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.229 7.664 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.031 6.684 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.266 7.621 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.997 8.892 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.398 8.234 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.074 5.280 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.199 5.877 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.662 4.884 -4.913 1.00 0.00 H new ATOM 85 N THR A 6 -7.274 6.618 -0.922 1.00 0.00 N ATOM 86 CA THR A 6 -7.406 7.105 0.487 1.00 0.00 C ATOM 87 C THR A 6 -6.117 7.808 0.910 1.00 0.00 C ATOM 88 O THR A 6 -5.027 7.286 0.768 1.00 0.00 O ATOM 89 CB THR A 6 -7.665 5.914 1.404 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.865 5.268 1.001 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.807 6.404 2.843 1.00 0.00 C ATOM 0 H THR A 6 -6.466 6.019 -1.094 1.00 0.00 H new ATOM 0 HA THR A 6 -8.236 7.809 0.556 1.00 0.00 H new ATOM 0 HB THR A 6 -6.833 5.213 1.341 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.292 4.855 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.992 5.554 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.889 6.906 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.641 7.102 2.909 1.00 0.00 H new ATOM 99 N LYS A 7 -6.240 8.997 1.426 1.00 0.00 N ATOM 100 CA LYS A 7 -5.038 9.761 1.855 1.00 0.00 C ATOM 101 C LYS A 7 -4.573 9.270 3.230 1.00 0.00 C ATOM 102 O LYS A 7 -5.352 8.820 4.048 1.00 0.00 O ATOM 103 CB LYS A 7 -5.399 11.255 1.912 1.00 0.00 C ATOM 104 CG LYS A 7 -5.243 11.891 0.524 1.00 0.00 C ATOM 105 CD LYS A 7 -6.262 11.278 -0.439 1.00 0.00 C ATOM 106 CE LYS A 7 -6.208 12.015 -1.775 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.158 11.378 -2.731 1.00 0.00 N ATOM 0 H LYS A 7 -7.129 9.476 1.570 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.225 9.610 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.424 11.376 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.755 11.765 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.391 12.969 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.232 11.730 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.048 10.220 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.264 11.344 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.466 13.065 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.196 11.986 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.122 11.879 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.892 10.383 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.123 11.427 -2.346 1.00 0.00 H new ATOM 121 N ILE A 8 -3.297 9.350 3.475 1.00 0.00 N ATOM 122 CA ILE A 8 -2.742 8.887 4.779 1.00 0.00 C ATOM 123 C ILE A 8 -3.310 9.732 5.925 1.00 0.00 C ATOM 124 O ILE A 8 -3.678 9.225 6.969 1.00 0.00 O ATOM 125 CB ILE A 8 -1.215 9.039 4.748 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.607 8.031 3.760 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.642 8.786 6.148 1.00 0.00 C ATOM 128 CD1 ILE A 8 -0.922 8.427 2.309 1.00 0.00 C ATOM 0 H ILE A 8 -2.606 9.720 2.822 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.016 7.844 4.939 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.967 10.051 4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.473 7.983 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.000 7.035 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.442 8.895 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.063 9.507 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.898 7.776 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.481 7.698 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.002 8.451 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.507 9.413 2.103 1.00 0.00 H new ATOM 140 N VAL A 9 -3.367 11.016 5.744 1.00 0.00 N ATOM 141 CA VAL A 9 -3.891 11.904 6.818 1.00 0.00 C ATOM 142 C VAL A 9 -5.400 11.694 6.984 1.00 0.00 C ATOM 143 O VAL A 9 -5.979 12.022 8.004 1.00 0.00 O ATOM 144 CB VAL A 9 -3.593 13.362 6.452 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.287 13.719 5.134 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.100 14.284 7.559 1.00 0.00 C ATOM 0 H VAL A 9 -3.072 11.495 4.893 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.405 11.662 7.763 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.516 13.488 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.072 14.757 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.920 13.067 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.364 13.588 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.887 15.320 7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.176 14.154 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.600 14.037 8.496 1.00 0.00 H new ATOM 156 N ASP A 10 -6.047 11.149 5.992 1.00 0.00 N ATOM 157 CA ASP A 10 -7.517 10.918 6.096 1.00 0.00 C ATOM 158 C ASP A 10 -7.777 9.621 6.869 1.00 0.00 C ATOM 159 O ASP A 10 -8.908 9.253 7.132 1.00 0.00 O ATOM 160 CB ASP A 10 -8.106 10.805 4.687 1.00 0.00 C ATOM 161 CG ASP A 10 -9.631 10.721 4.768 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.238 11.695 5.182 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.168 9.686 4.407 1.00 0.00 O ATOM 0 H ASP A 10 -5.622 10.853 5.113 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.985 11.749 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.811 11.668 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.710 9.921 4.187 1.00 0.00 H new ATOM 168 N ILE A 11 -6.740 8.920 7.233 1.00 0.00 N ATOM 169 CA ILE A 11 -6.931 7.646 7.983 1.00 0.00 C ATOM 170 C ILE A 11 -7.202 7.943 9.459 1.00 0.00 C ATOM 171 O ILE A 11 -6.400 8.549 10.145 1.00 0.00 O ATOM 172 CB ILE A 11 -5.670 6.784 7.862 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.484 6.359 6.403 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.803 5.540 8.743 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.109 5.710 6.223 1.00 0.00 C ATOM 0 H ILE A 11 -5.770 9.173 7.044 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.782 7.111 7.562 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.806 7.363 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.268 5.658 6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.576 7.225 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.903 4.932 8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.933 5.842 9.782 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.668 4.958 8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.982 5.409 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.331 6.425 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.034 4.833 6.866 1.00 0.00 H new ATOM 187 N VAL A 12 -8.330 7.506 9.953 1.00 0.00 N ATOM 188 CA VAL A 12 -8.683 7.734 11.388 1.00 0.00 C ATOM 189 C VAL A 12 -9.258 6.443 11.972 1.00 0.00 C ATOM 190 O VAL A 12 -9.548 6.359 13.150 1.00 0.00 O ATOM 191 CB VAL A 12 -9.724 8.851 11.488 1.00 0.00 C ATOM 192 CG1 VAL A 12 -9.143 10.137 10.900 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.980 8.457 10.704 1.00 0.00 C ATOM 0 H VAL A 12 -9.031 6.994 9.418 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.792 8.024 11.945 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.986 9.010 12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.882 10.935 10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.250 10.420 11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.883 9.974 9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.720 9.254 10.777 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.721 8.298 9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.395 7.538 11.119 1.00 0.00 H new ATOM 203 N GLU A 13 -9.430 5.426 11.158 1.00 0.00 N ATOM 204 CA GLU A 13 -9.994 4.137 11.671 1.00 0.00 C ATOM 205 C GLU A 13 -9.229 2.958 11.066 1.00 0.00 C ATOM 206 O GLU A 13 -8.861 2.964 9.906 1.00 0.00 O ATOM 207 CB GLU A 13 -11.475 4.028 11.298 1.00 0.00 C ATOM 208 CG GLU A 13 -12.047 2.732 11.880 1.00 0.00 C ATOM 209 CD GLU A 13 -13.546 2.651 11.595 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.023 3.446 10.802 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.192 1.793 12.173 1.00 0.00 O ATOM 0 H GLU A 13 -9.204 5.434 10.163 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.894 4.116 12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.024 4.887 11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.591 4.036 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.538 1.872 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.870 2.697 12.955 1.00 0.00 H new ATOM 218 N ASN A 14 -8.987 1.944 11.858 1.00 0.00 N ATOM 219 CA ASN A 14 -8.242 0.749 11.362 1.00 0.00 C ATOM 220 C ASN A 14 -9.216 -0.324 10.869 1.00 0.00 C ATOM 221 O ASN A 14 -10.392 -0.312 11.182 1.00 0.00 O ATOM 222 CB ASN A 14 -7.386 0.174 12.495 1.00 0.00 C ATOM 223 CG ASN A 14 -8.279 -0.309 13.643 1.00 0.00 C ATOM 224 OD1 ASN A 14 -9.485 -0.403 13.501 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.729 -0.623 14.787 1.00 0.00 N ATOM 0 H ASN A 14 -9.276 1.893 12.835 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.604 1.054 10.533 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.784 -0.654 12.121 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.694 0.933 12.858 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.310 -0.947 15.560 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.719 -0.544 14.906 1.00 0.00 H new ATOM 232 N GLY A 15 -8.723 -1.253 10.092 1.00 0.00 N ATOM 233 CA GLY A 15 -9.595 -2.339 9.561 1.00 0.00 C ATOM 234 C GLY A 15 -10.386 -1.814 8.362 1.00 0.00 C ATOM 235 O GLY A 15 -11.253 -2.481 7.828 1.00 0.00 O ATOM 0 H GLY A 15 -7.747 -1.305 9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.989 -3.195 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.277 -2.685 10.337 1.00 0.00 H new ATOM 239 N GLN A 16 -10.099 -0.615 7.938 1.00 0.00 N ATOM 240 CA GLN A 16 -10.839 -0.035 6.781 1.00 0.00 C ATOM 241 C GLN A 16 -10.262 -0.562 5.464 1.00 0.00 C ATOM 242 O GLN A 16 -9.060 -0.612 5.266 1.00 0.00 O ATOM 243 CB GLN A 16 -10.720 1.489 6.811 1.00 0.00 C ATOM 244 CG GLN A 16 -11.504 2.090 5.641 1.00 0.00 C ATOM 245 CD GLN A 16 -11.514 3.617 5.750 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.883 4.196 6.734 1.00 0.00 O flip ATOM 247 NE2 GLN A 16 -12.103 4.291 4.929 1.00 0.00 N flip ATOM 0 H GLN A 16 -9.384 -0.011 8.342 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.887 -0.326 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.104 1.875 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.672 1.783 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.053 1.787 4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.526 1.710 5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.597 3.840 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.104 5.308 5.010 1.00 0.00 H new ATOM 256 N TRP A 17 -11.122 -0.942 4.554 1.00 0.00 N ATOM 257 CA TRP A 17 -10.658 -1.455 3.233 1.00 0.00 C ATOM 258 C TRP A 17 -10.767 -0.342 2.193 1.00 0.00 C ATOM 259 O TRP A 17 -11.744 0.380 2.139 1.00 0.00 O ATOM 260 CB TRP A 17 -11.538 -2.632 2.813 1.00 0.00 C ATOM 261 CG TRP A 17 -11.251 -3.804 3.694 1.00 0.00 C ATOM 262 CD1 TRP A 17 -11.833 -4.038 4.894 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.324 -4.904 3.468 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.319 -5.211 5.418 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.386 -5.782 4.576 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.441 -5.221 2.420 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.602 -6.936 4.641 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.651 -6.381 2.482 1.00 0.00 C ATOM 269 CH2 TRP A 17 -8.730 -7.236 3.590 1.00 0.00 C ATOM 0 H TRP A 17 -12.135 -0.918 4.672 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.621 -1.783 3.309 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.590 -2.358 2.885 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.347 -2.890 1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.576 -3.412 5.365 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.596 -5.606 6.317 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.370 -4.569 1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.669 -7.592 5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.978 -6.616 1.670 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.118 -8.125 3.632 1.00 0.00 H new ATOM 280 N ALA A 18 -9.770 -0.193 1.366 1.00 0.00 N ATOM 281 CA ALA A 18 -9.822 0.879 0.332 1.00 0.00 C ATOM 282 C ALA A 18 -8.565 0.817 -0.539 1.00 0.00 C ATOM 283 O ALA A 18 -7.758 -0.094 -0.434 1.00 0.00 O ATOM 284 CB ALA A 18 -9.904 2.254 1.009 1.00 0.00 C ATOM 0 H ALA A 18 -8.925 -0.764 1.361 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.704 0.729 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.942 3.033 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.803 2.304 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.026 2.403 1.637 1.00 0.00 H new ATOM 290 N ASN A 19 -8.404 1.790 -1.403 1.00 0.00 N ATOM 291 CA ASN A 19 -7.215 1.830 -2.309 1.00 0.00 C ATOM 292 C ASN A 19 -6.283 2.958 -1.882 1.00 0.00 C ATOM 293 O ASN A 19 -6.708 3.974 -1.363 1.00 0.00 O ATOM 294 CB ASN A 19 -7.678 2.093 -3.739 1.00 0.00 C ATOM 295 CG ASN A 19 -8.644 0.992 -4.174 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.870 -0.018 -3.377 1.00 0.00 O flip ATOM 297 ND2 ASN A 19 -9.208 1.055 -5.248 1.00 0.00 N flip ATOM 0 H ASN A 19 -9.054 2.567 -1.520 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.690 0.876 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.167 3.065 -3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.820 2.124 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.032 1.843 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.857 0.320 -5.527 1.00 0.00 H new ATOM 304 N LEU A 20 -5.005 2.786 -2.094 1.00 0.00 N ATOM 305 CA LEU A 20 -4.026 3.842 -1.705 1.00 0.00 C ATOM 306 C LEU A 20 -2.990 4.029 -2.808 1.00 0.00 C ATOM 307 O LEU A 20 -2.430 3.081 -3.326 1.00 0.00 O ATOM 308 CB LEU A 20 -3.325 3.427 -0.416 1.00 0.00 C ATOM 309 CG LEU A 20 -2.322 4.531 0.029 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.395 4.726 1.545 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.884 4.134 -0.352 1.00 0.00 C ATOM 0 H LEU A 20 -4.596 1.955 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.556 4.782 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.062 3.257 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.797 2.485 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.589 5.459 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.690 5.500 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.405 5.026 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.143 3.791 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.194 4.916 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.622 3.197 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.816 4.007 -1.432 1.00 0.00 H new ATOM 323 N LYS A 21 -2.724 5.260 -3.158 1.00 0.00 N ATOM 324 CA LYS A 21 -1.715 5.560 -4.219 1.00 0.00 C ATOM 325 C LYS A 21 -0.541 6.303 -3.588 1.00 0.00 C ATOM 326 O LYS A 21 -0.720 7.220 -2.810 1.00 0.00 O ATOM 327 CB LYS A 21 -2.359 6.442 -5.284 1.00 0.00 C ATOM 328 CG LYS A 21 -1.350 6.711 -6.407 1.00 0.00 C ATOM 329 CD LYS A 21 -1.979 7.604 -7.484 1.00 0.00 C ATOM 330 CE LYS A 21 -2.898 6.777 -8.393 1.00 0.00 C ATOM 331 NZ LYS A 21 -3.330 7.611 -9.546 1.00 0.00 N ATOM 0 H LYS A 21 -3.169 6.082 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.364 4.634 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.246 5.954 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.686 7.383 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.461 7.192 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.027 5.768 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.548 8.406 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.196 8.074 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.374 5.889 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.767 6.432 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.953 7.053 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.844 8.445 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.495 7.919 -10.084 1.00 0.00 H new ATOM 345 N ALA A 22 0.663 5.919 -3.911 1.00 0.00 N ATOM 346 CA ALA A 22 1.833 6.622 -3.311 1.00 0.00 C ATOM 347 C ALA A 22 3.110 6.284 -4.080 1.00 0.00 C ATOM 348 O ALA A 22 3.128 5.417 -4.933 1.00 0.00 O ATOM 349 CB ALA A 22 1.999 6.195 -1.852 1.00 0.00 C ATOM 0 H ALA A 22 0.887 5.160 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 22 1.657 7.696 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.855 6.711 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.099 6.451 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.162 5.118 -1.804 1.00 0.00 H new ATOM 355 N LYS A 23 4.183 6.972 -3.774 1.00 0.00 N ATOM 356 CA LYS A 23 5.483 6.718 -4.469 1.00 0.00 C ATOM 357 C LYS A 23 6.439 5.980 -3.536 1.00 0.00 C ATOM 358 O LYS A 23 6.484 6.221 -2.344 1.00 0.00 O ATOM 359 CB LYS A 23 6.099 8.054 -4.885 1.00 0.00 C ATOM 360 CG LYS A 23 7.407 7.806 -5.639 1.00 0.00 C ATOM 361 CD LYS A 23 7.970 9.138 -6.142 1.00 0.00 C ATOM 362 CE LYS A 23 9.262 8.885 -6.922 1.00 0.00 C ATOM 363 NZ LYS A 23 10.328 8.430 -5.985 1.00 0.00 N ATOM 0 H LYS A 23 4.213 7.705 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 23 5.307 6.103 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.403 8.605 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.286 8.669 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.129 7.318 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.233 7.133 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.240 9.636 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.165 9.803 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.093 8.131 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.576 9.796 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.206 8.258 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.495 9.163 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.028 7.551 -5.518 1.00 0.00 H new ATOM 377 N VAL A 24 7.202 5.065 -4.075 1.00 0.00 N ATOM 378 CA VAL A 24 8.151 4.294 -3.228 1.00 0.00 C ATOM 379 C VAL A 24 9.410 5.116 -2.956 1.00 0.00 C ATOM 380 O VAL A 24 10.114 5.529 -3.860 1.00 0.00 O ATOM 381 CB VAL A 24 8.525 3.003 -3.951 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.538 2.220 -3.117 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.266 2.156 -4.150 1.00 0.00 C ATOM 0 H VAL A 24 7.207 4.821 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 24 7.676 4.062 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 24 8.965 3.242 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.803 1.299 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.433 2.824 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.102 1.978 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.527 1.232 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.830 1.919 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.543 2.713 -4.746 1.00 0.00 H new ATOM 393 N ILE A 25 9.701 5.340 -1.701 1.00 0.00 N ATOM 394 CA ILE A 25 10.918 6.115 -1.323 1.00 0.00 C ATOM 395 C ILE A 25 12.013 5.139 -0.898 1.00 0.00 C ATOM 396 O ILE A 25 13.099 5.118 -1.447 1.00 0.00 O ATOM 397 CB ILE A 25 10.583 7.028 -0.145 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.544 8.069 -0.579 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.853 7.737 0.326 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.016 8.817 0.647 1.00 0.00 C ATOM 0 H ILE A 25 9.140 5.015 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 25 11.257 6.712 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 25 10.175 6.432 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.992 8.773 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.721 7.580 -1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.615 8.389 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.589 6.996 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.261 8.332 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.278 9.555 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.551 8.109 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.842 9.320 1.150 1.00 0.00 H new ATOM 412 N GLN A 26 11.739 4.323 0.089 1.00 0.00 N ATOM 413 CA GLN A 26 12.766 3.347 0.555 1.00 0.00 C ATOM 414 C GLN A 26 12.086 2.067 1.059 1.00 0.00 C ATOM 415 O GLN A 26 11.068 2.101 1.736 1.00 0.00 O ATOM 416 CB GLN A 26 13.576 3.976 1.693 1.00 0.00 C ATOM 417 CG GLN A 26 14.684 3.020 2.149 1.00 0.00 C ATOM 418 CD GLN A 26 15.669 2.788 1.003 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.966 3.694 0.248 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.190 1.604 0.836 1.00 0.00 N ATOM 0 H GLN A 26 10.851 4.292 0.590 1.00 0.00 H new ATOM 0 HA GLN A 26 13.426 3.094 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.013 4.918 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.919 4.208 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.205 3.437 3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.251 2.071 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.941 0.844 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.846 1.439 0.073 1.00 0.00 H new ATOM 429 N LEU A 27 12.663 0.935 0.738 1.00 0.00 N ATOM 430 CA LEU A 27 12.095 -0.371 1.191 1.00 0.00 C ATOM 431 C LEU A 27 13.232 -1.335 1.531 1.00 0.00 C ATOM 432 O LEU A 27 14.221 -1.414 0.827 1.00 0.00 O ATOM 433 CB LEU A 27 11.199 -0.976 0.097 1.00 0.00 C ATOM 434 CG LEU A 27 12.034 -1.430 -1.112 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.096 -1.978 -2.193 1.00 0.00 C ATOM 436 CD2 LEU A 27 12.836 -0.247 -1.680 1.00 0.00 C ATOM 0 H LEU A 27 13.511 0.860 0.176 1.00 0.00 H new ATOM 0 HA LEU A 27 11.487 -0.203 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.648 -1.825 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.461 -0.240 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 27 12.730 -2.207 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.682 -2.302 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.538 -2.825 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.400 -1.197 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.423 -0.582 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.150 0.539 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.504 0.142 -0.912 1.00 0.00 H new ATOM 448 N TRP A 28 13.093 -2.068 2.609 1.00 0.00 N ATOM 449 CA TRP A 28 14.157 -3.039 3.018 1.00 0.00 C ATOM 450 C TRP A 28 13.630 -4.471 2.888 1.00 0.00 C ATOM 451 O TRP A 28 12.475 -4.754 3.156 1.00 0.00 O ATOM 452 CB TRP A 28 14.550 -2.767 4.470 1.00 0.00 C ATOM 453 CG TRP A 28 14.803 -1.304 4.642 1.00 0.00 C ATOM 454 CD1 TRP A 28 15.556 -0.542 3.815 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.317 -0.412 5.687 1.00 0.00 C ATOM 456 NE1 TRP A 28 15.567 0.758 4.288 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.817 0.888 5.441 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.500 -0.605 6.816 1.00 0.00 C ATOM 459 CZ2 TRP A 28 14.518 1.960 6.283 1.00 0.00 C ATOM 460 CZ3 TRP A 28 13.197 0.472 7.667 1.00 0.00 C ATOM 461 CH2 TRP A 28 13.705 1.751 7.400 1.00 0.00 C ATOM 0 H TRP A 28 12.283 -2.035 3.228 1.00 0.00 H new ATOM 0 HA TRP A 28 15.027 -2.920 2.372 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.756 -3.093 5.142 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.442 -3.336 4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.066 -0.892 2.929 1.00 0.00 H new ATOM 0 HE1 TRP A 28 16.067 1.526 3.841 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.103 -1.586 7.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.912 2.943 6.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.569 0.313 8.531 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.468 2.574 8.057 1.00 0.00 H new ATOM 472 N GLU A 29 14.476 -5.372 2.464 1.00 0.00 N ATOM 473 CA GLU A 29 14.056 -6.792 2.290 1.00 0.00 C ATOM 474 C GLU A 29 14.061 -7.521 3.634 1.00 0.00 C ATOM 475 O GLU A 29 14.933 -7.329 4.460 1.00 0.00 O ATOM 476 CB GLU A 29 15.023 -7.480 1.324 1.00 0.00 C ATOM 477 CG GLU A 29 16.453 -7.448 1.888 1.00 0.00 C ATOM 478 CD GLU A 29 16.645 -8.579 2.906 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.107 -9.650 2.678 1.00 0.00 O ATOM 480 OE2 GLU A 29 17.329 -8.356 3.890 1.00 0.00 O ATOM 0 H GLU A 29 15.450 -5.182 2.229 1.00 0.00 H new ATOM 0 HA GLU A 29 13.043 -6.821 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.712 -8.512 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.996 -6.982 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.174 -7.552 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.643 -6.485 2.362 1.00 0.00 H new ATOM 487 N ASN A 30 13.084 -8.363 3.856 1.00 0.00 N ATOM 488 CA ASN A 30 13.006 -9.115 5.140 1.00 0.00 C ATOM 489 C ASN A 30 13.498 -10.548 4.924 1.00 0.00 C ATOM 490 O ASN A 30 13.457 -11.080 3.831 1.00 0.00 O ATOM 491 CB ASN A 30 11.551 -9.131 5.615 1.00 0.00 C ATOM 492 CG ASN A 30 11.495 -9.479 7.105 1.00 0.00 C ATOM 493 OD1 ASN A 30 12.480 -9.368 7.807 1.00 0.00 O ATOM 494 ND2 ASN A 30 10.372 -9.888 7.621 1.00 0.00 N ATOM 0 H ASN A 30 12.332 -8.562 3.196 1.00 0.00 H new ATOM 0 HA ASN A 30 13.632 -8.635 5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.092 -8.158 5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.979 -9.860 5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.320 -10.115 8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.544 -9.981 7.032 1.00 0.00 H new ATOM 501 N THR A 31 13.969 -11.178 5.966 1.00 0.00 N ATOM 502 CA THR A 31 14.472 -12.580 5.849 1.00 0.00 C ATOM 503 C THR A 31 13.370 -13.557 6.275 1.00 0.00 C ATOM 504 O THR A 31 13.508 -14.762 6.161 1.00 0.00 O ATOM 505 CB THR A 31 15.679 -12.740 6.776 1.00 0.00 C ATOM 506 OG1 THR A 31 16.731 -11.888 6.341 1.00 0.00 O ATOM 507 CG2 THR A 31 16.160 -14.192 6.770 1.00 0.00 C ATOM 0 H THR A 31 14.028 -10.779 6.903 1.00 0.00 H new ATOM 0 HA THR A 31 14.758 -12.791 4.818 1.00 0.00 H new ATOM 0 HB THR A 31 15.385 -12.468 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.502 -11.990 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.019 -14.293 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.357 -14.843 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.448 -14.476 5.758 1.00 0.00 H new ATOM 515 N HIS A 32 12.275 -13.052 6.769 1.00 0.00 N ATOM 516 CA HIS A 32 11.170 -13.953 7.211 1.00 0.00 C ATOM 517 C HIS A 32 10.338 -14.407 6.007 1.00 0.00 C ATOM 518 O HIS A 32 9.985 -13.629 5.143 1.00 0.00 O ATOM 519 CB HIS A 32 10.276 -13.215 8.208 1.00 0.00 C ATOM 520 CG HIS A 32 11.038 -13.005 9.486 1.00 0.00 C ATOM 521 ND1 HIS A 32 11.600 -11.887 10.050 1.00 0.00 N flip ATOM 522 CD2 HIS A 32 11.307 -14.045 10.361 1.00 0.00 C flip ATOM 523 CE1 HIS A 32 12.209 -12.224 11.255 1.00 0.00 C flip ATOM 524 NE2 HIS A 32 12.003 -13.537 11.394 1.00 0.00 N flip ATOM 0 H HIS A 32 12.095 -12.055 6.887 1.00 0.00 H new ATOM 0 HA HIS A 32 11.601 -14.832 7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.963 -12.256 7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.371 -13.791 8.400 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.012 -15.076 10.236 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.735 -11.566 11.932 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.333 -14.087 12.187 1.00 0.00 H new ATOM 532 N GLU A 33 10.029 -15.673 5.954 1.00 0.00 N ATOM 533 CA GLU A 33 9.220 -16.217 4.821 1.00 0.00 C ATOM 534 C GLU A 33 7.790 -15.669 4.889 1.00 0.00 C ATOM 535 O GLU A 33 7.161 -15.400 3.883 1.00 0.00 O ATOM 536 CB GLU A 33 9.181 -17.745 4.941 1.00 0.00 C ATOM 537 CG GLU A 33 8.781 -18.369 3.602 1.00 0.00 C ATOM 538 CD GLU A 33 7.323 -18.021 3.290 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.550 -17.901 4.227 1.00 0.00 O ATOM 540 OE2 GLU A 33 7.005 -17.886 2.121 1.00 0.00 O ATOM 0 H GLU A 33 10.304 -16.363 6.653 1.00 0.00 H new ATOM 0 HA GLU A 33 9.669 -15.921 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.158 -18.118 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.471 -18.039 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.431 -18.001 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.907 -19.451 3.641 1.00 0.00 H new ATOM 547 N SER A 34 7.268 -15.521 6.070 1.00 0.00 N ATOM 548 CA SER A 34 5.877 -15.007 6.217 1.00 0.00 C ATOM 549 C SER A 34 5.774 -13.597 5.636 1.00 0.00 C ATOM 550 O SER A 34 4.808 -13.253 4.978 1.00 0.00 O ATOM 551 CB SER A 34 5.509 -14.970 7.701 1.00 0.00 C ATOM 552 OG SER A 34 4.172 -14.505 7.847 1.00 0.00 O ATOM 0 H SER A 34 7.745 -15.734 6.946 1.00 0.00 H new ATOM 0 HA SER A 34 5.194 -15.665 5.680 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.609 -15.964 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.194 -14.316 8.240 1.00 0.00 H new ATOM 0 HG SER A 34 3.935 -14.483 8.798 1.00 0.00 H new ATOM 558 N ILE A 35 6.755 -12.771 5.886 1.00 0.00 N ATOM 559 CA ILE A 35 6.722 -11.367 5.365 1.00 0.00 C ATOM 560 C ILE A 35 7.758 -11.187 4.253 1.00 0.00 C ATOM 561 O ILE A 35 8.915 -11.537 4.388 1.00 0.00 O ATOM 562 CB ILE A 35 7.013 -10.402 6.518 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.850 -10.457 7.516 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.166 -8.975 5.978 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.241 -9.735 8.805 1.00 0.00 C ATOM 0 H ILE A 35 7.584 -13.007 6.432 1.00 0.00 H new ATOM 0 HA ILE A 35 5.736 -11.157 4.950 1.00 0.00 H new ATOM 0 HB ILE A 35 7.940 -10.691 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.964 -9.993 7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.593 -11.494 7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.373 -8.294 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.990 -8.942 5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.244 -8.673 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.412 -9.777 9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.115 -10.219 9.242 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.476 -8.694 8.582 1.00 0.00 H new ATOM 577 N SER A 36 7.333 -10.637 3.147 1.00 0.00 N ATOM 578 CA SER A 36 8.255 -10.410 1.997 1.00 0.00 C ATOM 579 C SER A 36 9.174 -9.227 2.301 1.00 0.00 C ATOM 580 O SER A 36 10.344 -9.386 2.600 1.00 0.00 O ATOM 581 CB SER A 36 7.428 -10.088 0.753 1.00 0.00 C ATOM 582 OG SER A 36 8.277 -10.072 -0.389 1.00 0.00 O ATOM 0 H SER A 36 6.373 -10.331 2.990 1.00 0.00 H new ATOM 0 HA SER A 36 8.855 -11.305 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.641 -10.831 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.938 -9.121 0.869 1.00 0.00 H new ATOM 0 HG SER A 36 7.731 -10.027 -1.202 1.00 0.00 H new ATOM 588 N GLN A 37 8.655 -8.031 2.215 1.00 0.00 N ATOM 589 CA GLN A 37 9.490 -6.828 2.487 1.00 0.00 C ATOM 590 C GLN A 37 8.651 -5.773 3.206 1.00 0.00 C ATOM 591 O GLN A 37 7.431 -5.766 3.129 1.00 0.00 O ATOM 592 CB GLN A 37 10.011 -6.245 1.166 1.00 0.00 C ATOM 593 CG GLN A 37 8.837 -5.902 0.241 1.00 0.00 C ATOM 594 CD GLN A 37 9.367 -5.246 -1.037 1.00 0.00 C ATOM 595 OE1 GLN A 37 10.466 -5.535 -1.473 1.00 0.00 O ATOM 596 NE2 GLN A 37 8.627 -4.371 -1.663 1.00 0.00 N ATOM 0 H GLN A 37 7.685 -7.836 1.967 1.00 0.00 H new ATOM 0 HA GLN A 37 10.334 -7.116 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.602 -5.351 1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.671 -6.963 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.279 -6.805 -0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.146 -5.229 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.706 -4.128 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.970 -3.930 -2.517 1.00 0.00 H new ATOM 605 N VAL A 38 9.303 -4.877 3.904 1.00 0.00 N ATOM 606 CA VAL A 38 8.573 -3.801 4.639 1.00 0.00 C ATOM 607 C VAL A 38 9.233 -2.456 4.356 1.00 0.00 C ATOM 608 O VAL A 38 10.442 -2.322 4.377 1.00 0.00 O ATOM 609 CB VAL A 38 8.601 -4.089 6.139 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.696 -5.282 6.426 1.00 0.00 C ATOM 611 CG2 VAL A 38 10.029 -4.414 6.584 1.00 0.00 C ATOM 0 H VAL A 38 10.318 -4.846 3.996 1.00 0.00 H new ATOM 0 HA VAL A 38 7.536 -3.771 4.304 1.00 0.00 H new ATOM 0 HB VAL A 38 8.252 -3.213 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.707 -5.498 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.678 -5.050 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.055 -6.152 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.039 -4.618 7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.388 -5.291 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.679 -3.565 6.370 1.00 0.00 H new ATOM 621 N GLY A 39 8.444 -1.457 4.082 1.00 0.00 N ATOM 622 CA GLY A 39 9.024 -0.118 3.786 1.00 0.00 C ATOM 623 C GLY A 39 7.961 0.954 3.979 1.00 0.00 C ATOM 624 O GLY A 39 6.937 0.725 4.590 1.00 0.00 O ATOM 0 H GLY A 39 7.426 -1.508 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.873 0.075 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.400 -0.092 2.763 1.00 0.00 H new ATOM 628 N LEU A 40 8.202 2.137 3.463 1.00 0.00 N ATOM 629 CA LEU A 40 7.203 3.242 3.617 1.00 0.00 C ATOM 630 C LEU A 40 6.988 3.944 2.283 1.00 0.00 C ATOM 631 O LEU A 40 7.874 4.019 1.454 1.00 0.00 O ATOM 632 CB LEU A 40 7.704 4.249 4.663 1.00 0.00 C ATOM 633 CG LEU A 40 9.140 4.716 4.318 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.329 6.180 4.738 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.172 3.848 5.061 1.00 0.00 C ATOM 0 H LEU A 40 9.045 2.384 2.944 1.00 0.00 H new ATOM 0 HA LEU A 40 6.254 2.820 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.034 5.108 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.691 3.792 5.653 1.00 0.00 H new ATOM 0 HG LEU A 40 9.287 4.619 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.341 6.501 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.611 6.806 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.169 6.274 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.178 4.185 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.016 3.937 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.054 2.806 4.762 1.00 0.00 H new ATOM 647 N LEU A 41 5.796 4.449 2.070 1.00 0.00 N ATOM 648 CA LEU A 41 5.474 5.142 0.787 1.00 0.00 C ATOM 649 C LEU A 41 5.065 6.582 1.089 1.00 0.00 C ATOM 650 O LEU A 41 4.330 6.857 2.026 1.00 0.00 O ATOM 651 CB LEU A 41 4.315 4.419 0.101 1.00 0.00 C ATOM 652 CG LEU A 41 4.602 2.913 0.029 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.359 2.185 -0.479 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.763 2.647 -0.930 1.00 0.00 C ATOM 0 H LEU A 41 5.027 4.409 2.738 1.00 0.00 H new ATOM 0 HA LEU A 41 6.346 5.136 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.390 4.595 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.170 4.818 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 41 4.865 2.553 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.560 1.115 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.528 2.365 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.101 2.555 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.960 1.576 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.504 3.010 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.654 3.165 -0.575 1.00 0.00 H new ATOM 666 N GLY A 42 5.555 7.506 0.303 1.00 0.00 N ATOM 667 CA GLY A 42 5.231 8.948 0.520 1.00 0.00 C ATOM 668 C GLY A 42 4.143 9.401 -0.453 1.00 0.00 C ATOM 669 O GLY A 42 4.162 9.084 -1.627 1.00 0.00 O ATOM 0 H GLY A 42 6.172 7.321 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.897 9.102 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.127 9.554 0.382 1.00 0.00 H new ATOM 673 N ASP A 43 3.201 10.161 0.032 1.00 0.00 N ATOM 674 CA ASP A 43 2.106 10.671 -0.844 1.00 0.00 C ATOM 675 C ASP A 43 1.866 12.136 -0.520 1.00 0.00 C ATOM 676 O ASP A 43 0.744 12.598 -0.521 1.00 0.00 O ATOM 677 CB ASP A 43 0.831 9.887 -0.573 1.00 0.00 C ATOM 678 CG ASP A 43 -0.229 10.252 -1.615 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.144 10.761 -2.659 1.00 0.00 O ATOM 680 OD2 ASP A 43 -1.397 10.018 -1.351 1.00 0.00 O ATOM 0 H ASP A 43 3.141 10.454 1.007 1.00 0.00 H new ATOM 0 HA ASP A 43 2.387 10.557 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.036 8.817 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.462 10.108 0.428 1.00 0.00 H new ATOM 685 N GLU A 44 2.924 12.853 -0.231 1.00 0.00 N ATOM 686 CA GLU A 44 2.814 14.311 0.117 1.00 0.00 C ATOM 687 C GLU A 44 2.015 14.493 1.418 1.00 0.00 C ATOM 688 O GLU A 44 2.331 15.328 2.245 1.00 0.00 O ATOM 689 CB GLU A 44 2.129 15.081 -1.024 1.00 0.00 C ATOM 690 CG GLU A 44 3.017 15.055 -2.264 1.00 0.00 C ATOM 691 CD GLU A 44 2.298 15.762 -3.416 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.036 16.945 -3.286 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.022 15.105 -4.407 1.00 0.00 O ATOM 0 H GLU A 44 3.876 12.487 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 44 3.819 14.707 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.161 14.634 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.942 16.111 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.967 15.548 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.246 14.026 -2.540 1.00 0.00 H new ATOM 700 N THR A 45 0.983 13.718 1.605 1.00 0.00 N ATOM 701 CA THR A 45 0.165 13.840 2.840 1.00 0.00 C ATOM 702 C THR A 45 0.867 13.129 3.995 1.00 0.00 C ATOM 703 O THR A 45 0.248 12.744 4.970 1.00 0.00 O ATOM 704 CB THR A 45 -1.206 13.203 2.604 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.035 11.930 1.999 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.033 14.102 1.685 1.00 0.00 C ATOM 0 H THR A 45 0.671 13.001 0.950 1.00 0.00 H new ATOM 0 HA THR A 45 0.040 14.894 3.090 1.00 0.00 H new ATOM 0 HB THR A 45 -1.724 13.085 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.912 11.519 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.010 13.649 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.161 15.079 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.518 14.220 0.732 1.00 0.00 H new ATOM 714 N GLY A 46 2.161 12.961 3.899 1.00 0.00 N ATOM 715 CA GLY A 46 2.929 12.287 4.994 1.00 0.00 C ATOM 716 C GLY A 46 3.512 10.962 4.500 1.00 0.00 C ATOM 717 O GLY A 46 3.570 10.689 3.315 1.00 0.00 O ATOM 0 H GLY A 46 2.724 13.263 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.732 12.939 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.276 12.108 5.848 1.00 0.00 H new ATOM 721 N ILE A 47 3.953 10.136 5.420 1.00 0.00 N ATOM 722 CA ILE A 47 4.548 8.814 5.050 1.00 0.00 C ATOM 723 C ILE A 47 3.881 7.712 5.863 1.00 0.00 C ATOM 724 O ILE A 47 3.523 7.899 7.011 1.00 0.00 O ATOM 725 CB ILE A 47 6.055 8.828 5.338 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.309 9.176 6.813 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.731 9.860 4.439 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.811 9.099 7.107 1.00 0.00 C ATOM 0 H ILE A 47 3.925 10.325 6.422 1.00 0.00 H new ATOM 0 HA ILE A 47 4.387 8.628 3.988 1.00 0.00 H new ATOM 0 HB ILE A 47 6.469 7.840 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.936 10.177 7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.766 8.486 7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.802 9.873 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.562 9.599 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.312 10.846 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.990 9.346 8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.170 8.090 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.343 9.807 6.471 1.00 0.00 H new ATOM 740 N ILE A 48 3.712 6.555 5.274 1.00 0.00 N ATOM 741 CA ILE A 48 3.063 5.424 6.009 1.00 0.00 C ATOM 742 C ILE A 48 3.809 4.122 5.722 1.00 0.00 C ATOM 743 O ILE A 48 4.285 3.890 4.629 1.00 0.00 O ATOM 744 CB ILE A 48 1.602 5.291 5.578 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.934 4.194 6.411 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.532 4.921 4.095 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.581 4.282 6.249 1.00 0.00 C ATOM 0 H ILE A 48 3.995 6.344 4.317 1.00 0.00 H new ATOM 0 HA ILE A 48 3.100 5.628 7.079 1.00 0.00 H new ATOM 0 HB ILE A 48 1.087 6.239 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.288 3.214 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.205 4.304 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.489 4.827 3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.013 5.699 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.044 3.972 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.056 3.501 6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.927 5.258 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.843 4.150 5.199 1.00 0.00 H new ATOM 759 N LYS A 49 3.917 3.275 6.713 1.00 0.00 N ATOM 760 CA LYS A 49 4.638 1.980 6.535 1.00 0.00 C ATOM 761 C LYS A 49 3.714 0.937 5.913 1.00 0.00 C ATOM 762 O LYS A 49 2.505 1.006 6.031 1.00 0.00 O ATOM 763 CB LYS A 49 5.119 1.478 7.894 1.00 0.00 C ATOM 764 CG LYS A 49 6.151 2.458 8.451 1.00 0.00 C ATOM 765 CD LYS A 49 6.883 1.818 9.630 1.00 0.00 C ATOM 766 CE LYS A 49 5.914 1.574 10.795 1.00 0.00 C ATOM 767 NZ LYS A 49 5.076 2.785 11.015 1.00 0.00 N ATOM 0 H LYS A 49 3.533 3.427 7.646 1.00 0.00 H new ATOM 0 HA LYS A 49 5.489 2.139 5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.278 1.387 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.558 0.485 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.864 2.732 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.659 3.377 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.332 0.875 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.697 2.466 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.279 0.715 10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.472 1.337 11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.760 2.814 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.635 3.637 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.247 2.752 10.388 1.00 0.00 H new ATOM 781 N PHE A 50 4.277 -0.040 5.248 1.00 0.00 N ATOM 782 CA PHE A 50 3.435 -1.095 4.618 1.00 0.00 C ATOM 783 C PHE A 50 4.155 -2.439 4.696 1.00 0.00 C ATOM 784 O PHE A 50 5.373 -2.512 4.745 1.00 0.00 O ATOM 785 CB PHE A 50 3.168 -0.748 3.151 1.00 0.00 C ATOM 786 CG PHE A 50 4.444 -0.850 2.341 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.339 0.224 2.293 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.723 -2.023 1.630 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.513 0.125 1.532 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.894 -2.123 0.868 1.00 0.00 C ATOM 791 CZ PHE A 50 6.790 -1.048 0.819 1.00 0.00 C ATOM 0 H PHE A 50 5.282 -0.150 5.116 1.00 0.00 H new ATOM 0 HA PHE A 50 2.486 -1.155 5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.416 -1.423 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.763 0.262 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.126 1.129 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.033 -2.853 1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.204 0.954 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.106 -3.028 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.693 -1.123 0.232 1.00 0.00 H new ATOM 801 N THR A 51 3.397 -3.505 4.700 1.00 0.00 N ATOM 802 CA THR A 51 3.993 -4.870 4.764 1.00 0.00 C ATOM 803 C THR A 51 3.359 -5.735 3.680 1.00 0.00 C ATOM 804 O THR A 51 2.151 -5.796 3.543 1.00 0.00 O ATOM 805 CB THR A 51 3.719 -5.479 6.140 1.00 0.00 C ATOM 806 OG1 THR A 51 4.300 -4.653 7.140 1.00 0.00 O ATOM 807 CG2 THR A 51 4.331 -6.877 6.210 1.00 0.00 C ATOM 0 H THR A 51 2.378 -3.486 4.661 1.00 0.00 H new ATOM 0 HA THR A 51 5.070 -4.816 4.606 1.00 0.00 H new ATOM 0 HB THR A 51 2.644 -5.549 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.126 -5.038 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.136 -7.311 7.191 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.887 -7.507 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.407 -6.811 6.050 1.00 0.00 H new ATOM 815 N ILE A 52 4.167 -6.402 2.898 1.00 0.00 N ATOM 816 CA ILE A 52 3.619 -7.263 1.806 1.00 0.00 C ATOM 817 C ILE A 52 3.648 -8.727 2.239 1.00 0.00 C ATOM 818 O ILE A 52 4.673 -9.256 2.624 1.00 0.00 O ATOM 819 CB ILE A 52 4.475 -7.096 0.553 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.340 -5.661 0.036 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.007 -8.076 -0.524 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.367 -5.413 -1.071 1.00 0.00 C ATOM 0 H ILE A 52 5.185 -6.388 2.968 1.00 0.00 H new ATOM 0 HA ILE A 52 2.591 -6.966 1.596 1.00 0.00 H new ATOM 0 HB ILE A 52 5.518 -7.300 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.333 -5.495 -0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.492 -4.954 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.620 -7.955 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.103 -9.097 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.964 -7.876 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.268 -4.391 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.372 -5.561 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.194 -6.110 -1.891 1.00 0.00 H new ATOM 834 N TRP A 53 2.524 -9.390 2.164 1.00 0.00 N ATOM 835 CA TRP A 53 2.459 -10.830 2.551 1.00 0.00 C ATOM 836 C TRP A 53 2.397 -11.684 1.284 1.00 0.00 C ATOM 837 O TRP A 53 1.777 -11.318 0.301 1.00 0.00 O ATOM 838 CB TRP A 53 1.207 -11.075 3.394 1.00 0.00 C ATOM 839 CG TRP A 53 1.116 -10.038 4.468 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.525 -8.828 4.334 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.616 -10.102 5.834 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.630 -8.146 5.533 1.00 0.00 N ATOM 843 CE2 TRP A 53 1.294 -8.889 6.489 1.00 0.00 C ATOM 844 CE3 TRP A 53 2.310 -11.085 6.562 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.650 -8.660 7.819 1.00 0.00 C ATOM 846 CZ3 TRP A 53 2.669 -10.858 7.901 1.00 0.00 C ATOM 847 CH2 TRP A 53 2.339 -9.649 8.529 1.00 0.00 C ATOM 0 H TRP A 53 1.640 -8.991 1.848 1.00 0.00 H new ATOM 0 HA TRP A 53 3.342 -11.096 3.132 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.319 -11.039 2.763 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.243 -12.070 3.837 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.050 -8.456 3.438 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.262 -7.208 5.692 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.569 -12.021 6.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.395 -7.726 8.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.203 -11.620 8.450 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.616 -9.481 9.559 1.00 0.00 H new ATOM 858 N LYS A 54 3.030 -12.822 1.298 1.00 0.00 N ATOM 859 CA LYS A 54 3.009 -13.711 0.102 1.00 0.00 C ATOM 860 C LYS A 54 1.779 -14.619 0.178 1.00 0.00 C ATOM 861 O LYS A 54 1.844 -15.809 -0.066 1.00 0.00 O ATOM 862 CB LYS A 54 4.290 -14.547 0.079 1.00 0.00 C ATOM 863 CG LYS A 54 5.480 -13.628 -0.216 1.00 0.00 C ATOM 864 CD LYS A 54 6.773 -14.446 -0.261 1.00 0.00 C ATOM 865 CE LYS A 54 7.949 -13.520 -0.582 1.00 0.00 C ATOM 866 NZ LYS A 54 9.211 -14.311 -0.625 1.00 0.00 N ATOM 0 H LYS A 54 3.565 -13.178 2.091 1.00 0.00 H new ATOM 0 HA LYS A 54 2.957 -13.118 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.430 -15.048 1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.218 -15.325 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.329 -13.118 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.554 -12.857 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.937 -14.941 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.695 -15.229 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.785 -13.026 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.024 -12.737 0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.009 -13.680 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.369 -14.763 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.137 -15.043 -1.360 1.00 0.00 H new ATOM 880 N ASN A 55 0.651 -14.052 0.512 1.00 0.00 N ATOM 881 CA ASN A 55 -0.600 -14.857 0.607 1.00 0.00 C ATOM 882 C ASN A 55 -0.916 -15.463 -0.762 1.00 0.00 C ATOM 883 O ASN A 55 -1.314 -16.608 -0.876 1.00 0.00 O ATOM 884 CB ASN A 55 -1.755 -13.943 1.055 1.00 0.00 C ATOM 885 CG ASN A 55 -2.190 -13.020 -0.099 1.00 0.00 C ATOM 886 OD1 ASN A 55 -3.297 -13.128 -0.592 1.00 0.00 O ATOM 887 ND2 ASN A 55 -1.365 -12.116 -0.557 1.00 0.00 N ATOM 0 H ASN A 55 0.542 -13.060 0.724 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.472 -15.660 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.600 -14.549 1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.442 -13.344 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.651 -11.506 -1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.435 -12.020 -0.148 1.00 0.00 H new ATOM 894 N ALA A 56 -0.741 -14.695 -1.805 1.00 0.00 N ATOM 895 CA ALA A 56 -1.022 -15.194 -3.188 1.00 0.00 C ATOM 896 C ALA A 56 0.259 -15.139 -4.028 1.00 0.00 C ATOM 897 O ALA A 56 0.939 -16.129 -4.218 1.00 0.00 O ATOM 898 CB ALA A 56 -2.079 -14.298 -3.831 1.00 0.00 C ATOM 0 H ALA A 56 -0.411 -13.731 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.379 -16.223 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.292 -14.652 -4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.992 -14.327 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.709 -13.274 -3.877 1.00 0.00 H new ATOM 904 N GLU A 57 0.590 -13.985 -4.539 1.00 0.00 N ATOM 905 CA GLU A 57 1.822 -13.856 -5.369 1.00 0.00 C ATOM 906 C GLU A 57 1.970 -12.401 -5.827 1.00 0.00 C ATOM 907 O GLU A 57 1.590 -12.045 -6.925 1.00 0.00 O ATOM 908 CB GLU A 57 1.733 -14.779 -6.597 1.00 0.00 C ATOM 909 CG GLU A 57 0.319 -14.736 -7.188 1.00 0.00 C ATOM 910 CD GLU A 57 0.314 -15.434 -8.549 1.00 0.00 C ATOM 911 OE1 GLU A 57 1.323 -15.366 -9.231 1.00 0.00 O ATOM 912 OE2 GLU A 57 -0.700 -16.025 -8.886 1.00 0.00 O ATOM 0 H GLU A 57 0.059 -13.123 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 57 2.689 -14.145 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.459 -14.468 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.986 -15.800 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.384 -15.226 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.010 -13.703 -7.296 1.00 0.00 H new ATOM 919 N LEU A 58 2.521 -11.556 -4.989 1.00 0.00 N ATOM 920 CA LEU A 58 2.701 -10.113 -5.358 1.00 0.00 C ATOM 921 C LEU A 58 4.203 -9.799 -5.459 1.00 0.00 C ATOM 922 O LEU A 58 4.847 -9.538 -4.464 1.00 0.00 O ATOM 923 CB LEU A 58 2.072 -9.226 -4.278 1.00 0.00 C ATOM 924 CG LEU A 58 0.618 -9.657 -4.039 1.00 0.00 C ATOM 925 CD1 LEU A 58 -0.047 -8.671 -3.078 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.156 -9.675 -5.370 1.00 0.00 C ATOM 0 H LEU A 58 2.857 -11.804 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 58 2.218 -9.919 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.642 -9.304 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.106 -8.181 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 58 0.608 -10.659 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.080 -8.972 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.493 -8.665 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.029 -7.671 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.186 -9.982 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.147 -8.678 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.316 -10.378 -6.056 1.00 0.00 H new ATOM 938 N PRO A 59 4.758 -9.824 -6.652 1.00 0.00 N ATOM 939 CA PRO A 59 6.208 -9.536 -6.874 1.00 0.00 C ATOM 940 C PRO A 59 6.670 -8.235 -6.197 1.00 0.00 C ATOM 941 O PRO A 59 5.879 -7.361 -5.892 1.00 0.00 O ATOM 942 CB PRO A 59 6.329 -9.441 -8.404 1.00 0.00 C ATOM 943 CG PRO A 59 5.205 -10.273 -8.932 1.00 0.00 C ATOM 944 CD PRO A 59 4.071 -10.145 -7.917 1.00 0.00 C ATOM 0 HA PRO A 59 6.844 -10.306 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.249 -8.408 -8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.293 -9.816 -8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.890 -9.923 -9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.510 -11.313 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.369 -9.361 -8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.500 -11.070 -7.838 1.00 0.00 H new ATOM 952 N LEU A 60 7.947 -8.114 -5.944 1.00 0.00 N ATOM 953 CA LEU A 60 8.467 -6.888 -5.269 1.00 0.00 C ATOM 954 C LEU A 60 8.275 -5.663 -6.173 1.00 0.00 C ATOM 955 O LEU A 60 8.419 -5.726 -7.380 1.00 0.00 O ATOM 956 CB LEU A 60 9.956 -7.060 -4.948 1.00 0.00 C ATOM 957 CG LEU A 60 10.184 -8.365 -4.168 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.657 -8.457 -3.748 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.293 -8.396 -2.917 1.00 0.00 C ATOM 0 H LEU A 60 8.653 -8.812 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 60 7.912 -6.738 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.535 -7.074 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.310 -6.211 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 60 9.929 -9.211 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.821 -9.382 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.290 -8.448 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.909 -7.606 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.463 -9.325 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.537 -7.549 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.246 -8.336 -3.214 1.00 0.00 H new ATOM 971 N LEU A 61 7.934 -4.547 -5.582 1.00 0.00 N ATOM 972 CA LEU A 61 7.706 -3.298 -6.368 1.00 0.00 C ATOM 973 C LEU A 61 9.027 -2.554 -6.601 1.00 0.00 C ATOM 974 O LEU A 61 9.955 -2.632 -5.816 1.00 0.00 O ATOM 975 CB LEU A 61 6.729 -2.403 -5.602 1.00 0.00 C ATOM 976 CG LEU A 61 5.300 -2.913 -5.811 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.206 -4.377 -5.365 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.330 -2.064 -4.987 1.00 0.00 C ATOM 0 H LEU A 61 7.802 -4.447 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 61 7.288 -3.558 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.975 -2.403 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.814 -1.373 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 61 5.040 -2.840 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.189 -4.738 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.896 -4.982 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.467 -4.453 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.313 -2.426 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.590 -2.136 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.395 -1.024 -5.307 1.00 0.00 H new ATOM 990 N GLU A 62 9.108 -1.834 -7.688 1.00 0.00 N ATOM 991 CA GLU A 62 10.352 -1.079 -8.012 1.00 0.00 C ATOM 992 C GLU A 62 10.481 0.162 -7.121 1.00 0.00 C ATOM 993 O GLU A 62 9.505 0.740 -6.678 1.00 0.00 O ATOM 994 CB GLU A 62 10.304 -0.650 -9.477 1.00 0.00 C ATOM 995 CG GLU A 62 10.407 -1.888 -10.368 1.00 0.00 C ATOM 996 CD GLU A 62 10.280 -1.480 -11.837 1.00 0.00 C ATOM 997 OE1 GLU A 62 10.163 -0.292 -12.093 1.00 0.00 O ATOM 998 OE2 GLU A 62 10.302 -2.360 -12.681 1.00 0.00 O ATOM 0 H GLU A 62 8.357 -1.736 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 62 11.214 -1.723 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.376 -0.116 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.121 0.038 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.360 -2.389 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.623 -2.600 -10.109 1.00 0.00 H new ATOM 1005 N GLN A 63 11.695 0.564 -6.857 1.00 0.00 N ATOM 1006 CA GLN A 63 11.934 1.755 -5.995 1.00 0.00 C ATOM 1007 C GLN A 63 11.902 3.048 -6.816 1.00 0.00 C ATOM 1008 O GLN A 63 12.439 3.127 -7.906 1.00 0.00 O ATOM 1009 CB GLN A 63 13.301 1.623 -5.329 1.00 0.00 C ATOM 1010 CG GLN A 63 13.565 2.850 -4.452 1.00 0.00 C ATOM 1011 CD GLN A 63 14.834 2.635 -3.626 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.293 1.519 -3.469 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.426 3.665 -3.087 1.00 0.00 N ATOM 0 H GLN A 63 12.540 0.112 -7.206 1.00 0.00 H new ATOM 0 HA GLN A 63 11.144 1.801 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.336 0.717 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.079 1.531 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.672 3.737 -5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.716 3.025 -3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.042 4.601 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.273 3.535 -2.534 1.00 0.00 H new ATOM 1022 N GLY A 64 11.291 4.071 -6.278 1.00 0.00 N ATOM 1023 CA GLY A 64 11.229 5.377 -6.992 1.00 0.00 C ATOM 1024 C GLY A 64 10.106 5.363 -8.029 1.00 0.00 C ATOM 1025 O GLY A 64 10.009 6.245 -8.862 1.00 0.00 O ATOM 0 H GLY A 64 10.830 4.056 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.062 6.182 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.182 5.577 -7.481 1.00 0.00 H new ATOM 1029 N GLU A 65 9.260 4.364 -7.993 1.00 0.00 N ATOM 1030 CA GLU A 65 8.138 4.279 -8.984 1.00 0.00 C ATOM 1031 C GLU A 65 6.786 4.388 -8.276 1.00 0.00 C ATOM 1032 O GLU A 65 6.613 3.960 -7.148 1.00 0.00 O ATOM 1033 CB GLU A 65 8.223 2.944 -9.725 1.00 0.00 C ATOM 1034 CG GLU A 65 9.490 2.916 -10.587 1.00 0.00 C ATOM 1035 CD GLU A 65 9.385 3.969 -11.696 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.276 4.390 -11.980 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.415 4.338 -12.235 1.00 0.00 O ATOM 0 H GLU A 65 9.296 3.600 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 65 8.226 5.104 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.238 2.120 -9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.341 2.807 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.366 3.111 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.622 1.926 -11.024 1.00 0.00 H new ATOM 1044 N SER A 66 5.828 4.973 -8.946 1.00 0.00 N ATOM 1045 CA SER A 66 4.471 5.134 -8.353 1.00 0.00 C ATOM 1046 C SER A 66 3.681 3.835 -8.489 1.00 0.00 C ATOM 1047 O SER A 66 3.782 3.127 -9.474 1.00 0.00 O ATOM 1048 CB SER A 66 3.731 6.257 -9.070 1.00 0.00 C ATOM 1049 OG SER A 66 2.360 6.233 -8.694 1.00 0.00 O ATOM 0 H SER A 66 5.931 5.349 -9.888 1.00 0.00 H new ATOM 0 HA SER A 66 4.573 5.379 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.173 7.220 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.826 6.139 -10.149 1.00 0.00 H new ATOM 0 HG SER A 66 1.882 6.955 -9.153 1.00 0.00 H new ATOM 1055 N TYR A 67 2.886 3.519 -7.502 1.00 0.00 N ATOM 1056 CA TYR A 67 2.074 2.270 -7.555 1.00 0.00 C ATOM 1057 C TYR A 67 0.684 2.531 -6.980 1.00 0.00 C ATOM 1058 O TYR A 67 0.504 3.330 -6.068 1.00 0.00 O ATOM 1059 CB TYR A 67 2.765 1.173 -6.740 1.00 0.00 C ATOM 1060 CG TYR A 67 3.922 0.613 -7.533 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.668 -0.170 -8.664 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.241 0.873 -7.141 1.00 0.00 C ATOM 1063 CE1 TYR A 67 4.730 -0.694 -9.406 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.306 0.349 -7.883 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.050 -0.435 -9.015 1.00 0.00 C ATOM 1066 OH TYR A 67 7.098 -0.952 -9.747 1.00 0.00 O ATOM 0 H TYR A 67 2.764 4.076 -6.656 1.00 0.00 H new ATOM 0 HA TYR A 67 1.980 1.949 -8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.121 1.578 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.056 0.380 -6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.650 -0.370 -8.964 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.436 1.477 -6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.533 -1.298 -10.280 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.324 0.549 -7.583 1.00 0.00 H new ATOM 0 HH TYR A 67 7.353 -0.316 -10.448 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.299 1.845 -7.510 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.699 2.000 -7.021 1.00 0.00 C ATOM 1078 C LEU A 68 -2.105 0.708 -6.314 1.00 0.00 C ATOM 1079 O LEU A 68 -2.038 -0.372 -6.877 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.629 2.261 -8.217 1.00 0.00 C ATOM 1081 CG LEU A 68 -4.098 2.129 -7.797 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.384 3.047 -6.605 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.998 2.532 -8.969 1.00 0.00 C ATOM 0 H LEU A 68 -0.186 1.176 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.772 2.839 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.447 3.259 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.409 1.554 -9.017 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.298 1.096 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.429 2.948 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.745 2.766 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.182 4.081 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.043 2.439 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.790 3.565 -9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.802 1.879 -9.820 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.517 0.816 -5.080 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.925 -0.387 -4.297 1.00 0.00 C ATOM 1097 C LEU A 69 -4.444 -0.524 -4.303 1.00 0.00 C ATOM 1098 O LEU A 69 -5.167 0.419 -4.036 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.442 -0.214 -2.859 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.902 -0.131 -2.833 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.442 0.652 -1.598 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.301 -1.544 -2.778 1.00 0.00 C ATOM 0 H LEU A 69 -2.589 1.699 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.487 -1.281 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.872 0.690 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.781 -1.051 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.565 0.376 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.647 0.706 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.855 1.660 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.790 0.147 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.787 -1.476 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.648 -2.052 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.615 -2.107 -3.657 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.931 -1.702 -4.603 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.406 -1.937 -4.630 1.00 0.00 C ATOM 1116 C ARG A 70 -6.753 -3.176 -3.805 1.00 0.00 C ATOM 1117 O ARG A 70 -6.227 -4.255 -4.025 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.871 -2.147 -6.073 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.808 -0.820 -6.828 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.162 -1.040 -8.305 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.574 -1.515 -8.419 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.060 -1.875 -9.577 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.319 -1.830 -10.650 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.298 -2.286 -9.663 1.00 0.00 N ATOM 0 H ARG A 70 -4.364 -2.518 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.908 -1.067 -4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.241 -2.888 -6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.889 -2.536 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.500 -0.105 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.809 -0.392 -6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.034 -0.112 -8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.485 -1.772 -8.746 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.163 -1.558 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.352 -1.512 -10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.707 -2.113 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.882 -2.325 -8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.680 -2.568 -10.566 1.00 0.00 H new ATOM 1138 N SER A 71 -7.654 -3.011 -2.868 1.00 0.00 N ATOM 1139 CA SER A 71 -8.099 -4.141 -1.994 1.00 0.00 C ATOM 1140 C SER A 71 -7.115 -4.335 -0.835 1.00 0.00 C ATOM 1141 O SER A 71 -6.671 -5.434 -0.564 1.00 0.00 O ATOM 1142 CB SER A 71 -8.214 -5.438 -2.811 1.00 0.00 C ATOM 1143 OG SER A 71 -8.611 -5.112 -4.134 1.00 0.00 O ATOM 0 H SER A 71 -8.110 -2.121 -2.668 1.00 0.00 H new ATOM 0 HA SER A 71 -9.080 -3.897 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.259 -5.963 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.941 -6.109 -2.353 1.00 0.00 H new ATOM 0 HG SER A 71 -8.686 -5.932 -4.665 1.00 0.00 H new ATOM 1149 N VAL A 72 -6.780 -3.273 -0.135 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.832 -3.393 1.022 1.00 0.00 C ATOM 1151 C VAL A 72 -6.566 -3.085 2.321 1.00 0.00 C ATOM 1152 O VAL A 72 -7.634 -2.500 2.323 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.668 -2.417 0.854 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -3.783 -2.884 -0.300 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.203 -1.013 0.553 1.00 0.00 C ATOM 0 H VAL A 72 -7.122 -2.329 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.443 -4.411 1.053 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.087 -2.386 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.951 -2.191 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.397 -3.880 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.369 -2.915 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.368 -0.323 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.788 -1.036 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.835 -0.680 1.377 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.996 -3.490 3.432 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.641 -3.249 4.758 1.00 0.00 C ATOM 1167 C VAL A 73 -5.663 -2.520 5.681 1.00 0.00 C ATOM 1168 O VAL A 73 -4.484 -2.822 5.733 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.046 -4.593 5.379 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.867 -5.572 5.342 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.488 -4.376 6.827 1.00 0.00 C ATOM 0 H VAL A 73 -5.103 -3.982 3.474 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.530 -2.632 4.625 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.871 -5.013 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.168 -6.521 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.562 -5.735 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.032 -5.157 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.775 -5.331 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.665 -3.946 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.339 -3.696 6.849 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.153 -1.548 6.406 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.273 -0.774 7.326 1.00 0.00 C ATOM 1183 C VAL A 74 -5.157 -1.496 8.668 1.00 0.00 C ATOM 1184 O VAL A 74 -6.111 -1.613 9.415 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.873 0.613 7.535 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.848 1.516 8.220 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.251 1.210 6.176 1.00 0.00 C ATOM 0 H VAL A 74 -7.131 -1.257 6.399 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.278 -0.683 6.890 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.762 0.535 8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.278 2.507 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.575 1.090 9.186 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.959 1.596 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.680 2.201 6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.360 1.288 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.982 0.566 5.686 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.981 -1.977 8.979 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.771 -2.697 10.270 1.00 0.00 C ATOM 1199 C GLY A 75 -3.234 -1.727 11.322 1.00 0.00 C ATOM 1200 O GLY A 75 -2.937 -0.580 11.038 1.00 0.00 O ATOM 0 H GLY A 75 -3.152 -1.901 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.710 -3.134 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.070 -3.519 10.129 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.100 -2.188 12.541 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.577 -1.319 13.639 1.00 0.00 C ATOM 1206 C GLU A 76 -1.181 -1.794 14.035 1.00 0.00 C ATOM 1207 O GLU A 76 -0.979 -2.939 14.393 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.510 -1.411 14.847 1.00 0.00 C ATOM 1209 CG GLU A 76 -3.003 -0.481 15.951 1.00 0.00 C ATOM 1210 CD GLU A 76 -3.973 -0.506 17.134 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.071 -1.009 16.963 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -3.598 -0.024 18.189 1.00 0.00 O ATOM 0 H GLU A 76 -3.333 -3.140 12.824 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.527 -0.285 13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.524 -1.133 14.559 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.552 -2.437 15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.011 -0.794 16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.908 0.535 15.568 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.213 -0.916 13.966 1.00 0.00 N ATOM 1220 CA TYR A 77 1.185 -1.295 14.326 1.00 0.00 C ATOM 1221 C TYR A 77 1.789 -0.241 15.255 1.00 0.00 C ATOM 1222 O TYR A 77 1.978 0.903 14.884 1.00 0.00 O ATOM 1223 CB TYR A 77 2.019 -1.401 13.049 1.00 0.00 C ATOM 1224 CG TYR A 77 3.465 -1.646 13.408 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.876 -2.914 13.831 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.394 -0.602 13.318 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.215 -3.140 14.169 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.732 -0.827 13.654 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.143 -2.096 14.078 1.00 0.00 C ATOM 1230 OH TYR A 77 7.464 -2.319 14.410 1.00 0.00 O ATOM 0 H TYR A 77 -0.333 0.054 13.674 1.00 0.00 H new ATOM 0 HA TYR A 77 1.181 -2.255 14.841 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.646 -2.213 12.425 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.929 -0.484 12.466 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.159 -3.719 13.897 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.077 0.377 12.989 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.532 -4.118 14.499 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.449 -0.022 13.586 1.00 0.00 H new ATOM 0 HH TYR A 77 7.975 -1.492 14.291 1.00 0.00 H new ATOM 1240 N ASN A 78 2.098 -0.635 16.461 1.00 0.00 N ATOM 1241 CA ASN A 78 2.703 0.309 17.446 1.00 0.00 C ATOM 1242 C ASN A 78 1.799 1.534 17.625 1.00 0.00 C ATOM 1243 O ASN A 78 2.262 2.647 17.763 1.00 0.00 O ATOM 1244 CB ASN A 78 4.095 0.734 16.970 1.00 0.00 C ATOM 1245 CG ASN A 78 5.033 -0.479 16.997 1.00 0.00 C ATOM 1246 OD1 ASN A 78 6.115 -0.435 16.446 1.00 0.00 O ATOM 1247 ND2 ASN A 78 4.662 -1.574 17.611 1.00 0.00 N ATOM 0 H ASN A 78 1.955 -1.583 16.810 1.00 0.00 H new ATOM 0 HA ASN A 78 2.800 -0.192 18.409 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.038 1.141 15.961 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.485 1.524 17.611 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.280 -2.385 17.625 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.755 -1.616 18.075 1.00 0.00 H new ATOM 1254 N ASP A 79 0.506 1.317 17.624 1.00 0.00 N ATOM 1255 CA ASP A 79 -0.472 2.438 17.793 1.00 0.00 C ATOM 1256 C ASP A 79 -0.468 3.317 16.542 1.00 0.00 C ATOM 1257 O ASP A 79 -1.221 4.265 16.431 1.00 0.00 O ATOM 1258 CB ASP A 79 -0.111 3.286 19.024 1.00 0.00 C ATOM 1259 CG ASP A 79 0.284 2.363 20.178 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -0.450 1.421 20.429 1.00 0.00 O ATOM 1261 OD2 ASP A 79 1.308 2.614 20.791 1.00 0.00 O ATOM 0 H ASP A 79 0.081 0.397 17.512 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.466 2.016 17.939 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.711 3.961 18.786 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.959 3.906 19.314 1.00 0.00 H new ATOM 1266 N ARG A 80 0.374 3.009 15.595 1.00 0.00 N ATOM 1267 CA ARG A 80 0.437 3.825 14.344 1.00 0.00 C ATOM 1268 C ARG A 80 -0.365 3.146 13.237 1.00 0.00 C ATOM 1269 O ARG A 80 -0.749 1.997 13.337 1.00 0.00 O ATOM 1270 CB ARG A 80 1.893 3.964 13.904 1.00 0.00 C ATOM 1271 CG ARG A 80 2.700 4.709 14.983 1.00 0.00 C ATOM 1272 CD ARG A 80 2.547 6.227 14.808 1.00 0.00 C ATOM 1273 NE ARG A 80 3.075 6.616 13.468 1.00 0.00 N ATOM 1274 CZ ARG A 80 2.941 7.838 13.035 1.00 0.00 C ATOM 1275 NH1 ARG A 80 2.339 8.733 13.766 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.409 8.164 11.861 1.00 0.00 N ATOM 0 H ARG A 80 1.025 2.225 15.631 1.00 0.00 H new ATOM 0 HA ARG A 80 0.014 4.811 14.537 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.325 2.978 13.731 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.946 4.506 12.960 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.355 4.413 15.974 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.752 4.432 14.916 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.499 6.513 14.897 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.089 6.753 15.594 1.00 0.00 H new ATOM 0 HE ARG A 80 3.544 5.921 12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.970 8.479 14.682 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.237 9.688 13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.877 7.464 11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.306 9.119 11.518 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.632 3.864 12.182 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.426 3.287 11.064 1.00 0.00 C ATOM 1292 C PHE A 81 -0.503 2.585 10.073 1.00 0.00 C ATOM 1293 O PHE A 81 0.574 3.052 9.757 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.170 4.418 10.354 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.323 4.873 11.218 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.481 4.095 11.293 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.228 6.064 11.949 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.550 4.508 12.097 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.297 6.476 12.754 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.458 5.697 12.828 1.00 0.00 C ATOM 0 H PHE A 81 -0.333 4.830 12.046 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.136 2.560 11.459 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.493 5.250 10.162 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.538 4.076 9.386 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.551 3.175 10.731 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.332 6.664 11.892 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.446 3.908 12.153 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.226 7.394 13.318 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.282 6.014 13.449 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.926 1.455 9.576 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.096 0.700 8.598 1.00 0.00 C ATOM 1312 C GLN A 82 -1.018 0.036 7.578 1.00 0.00 C ATOM 1313 O GLN A 82 -2.146 -0.309 7.879 1.00 0.00 O ATOM 1314 CB GLN A 82 0.705 -0.374 9.335 1.00 0.00 C ATOM 1315 CG GLN A 82 1.605 -1.117 8.342 1.00 0.00 C ATOM 1316 CD GLN A 82 2.399 -2.197 9.076 1.00 0.00 C ATOM 1317 OE1 GLN A 82 1.828 -3.115 9.636 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.700 -2.129 9.094 1.00 0.00 N ATOM 0 H GLN A 82 -1.819 1.020 9.808 1.00 0.00 H new ATOM 0 HA GLN A 82 0.590 1.378 8.091 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.310 0.083 10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.028 -1.075 9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.000 -1.568 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.286 -0.416 7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.177 -1.359 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.241 -2.845 9.578 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.541 -0.156 6.371 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.375 -0.808 5.313 1.00 0.00 C ATOM 1329 C VAL A 83 -0.754 -2.152 4.943 1.00 0.00 C ATOM 1330 O VAL A 83 0.427 -2.253 4.667 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.445 0.097 4.081 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.179 1.384 4.456 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.033 0.436 3.595 1.00 0.00 C ATOM 0 H VAL A 83 0.396 0.113 6.072 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.386 -0.969 5.688 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.977 -0.418 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.235 2.038 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.187 1.143 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.639 1.891 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.095 1.080 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.510 0.952 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.492 -0.483 3.334 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.548 -3.194 4.955 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.034 -4.558 4.625 1.00 0.00 C ATOM 1345 C GLN A 84 -1.550 -4.993 3.255 1.00 0.00 C ATOM 1346 O GLN A 84 -2.736 -4.969 2.982 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.513 -5.543 5.692 1.00 0.00 C ATOM 1348 CG GLN A 84 -0.748 -5.283 6.993 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.220 -6.259 8.072 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.316 -7.447 7.833 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.514 -5.806 9.259 1.00 0.00 N ATOM 0 H GLN A 84 -2.542 -3.156 5.182 1.00 0.00 H new ATOM 0 HA GLN A 84 0.056 -4.540 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.584 -5.428 5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.350 -6.568 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.323 -5.400 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.909 -4.256 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.433 -4.809 9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.825 -6.449 9.988 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.657 -5.394 2.390 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.067 -5.840 1.028 1.00 0.00 C ATOM 1362 C VAL A 85 -1.183 -7.364 1.011 1.00 0.00 C ATOM 1363 O VAL A 85 -0.200 -8.079 1.050 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.014 -5.393 0.016 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.535 -5.643 -1.398 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.261 -3.898 0.198 1.00 0.00 C ATOM 0 H VAL A 85 0.346 -5.432 2.571 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.030 -5.401 0.768 1.00 0.00 H new ATOM 0 HB VAL A 85 0.906 -5.956 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.214 -5.325 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.738 -6.706 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.453 -5.077 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.012 -3.576 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.660 -3.337 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.626 -3.716 1.209 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.388 -7.866 0.955 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.591 -9.344 0.939 1.00 0.00 C ATOM 1378 C ASN A 86 -3.878 -9.685 0.186 1.00 0.00 C ATOM 1379 O ASN A 86 -4.487 -8.848 -0.453 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.686 -9.879 2.373 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.625 -9.001 3.204 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.691 -8.486 2.650 1.00 0.00 O flip ATOM 1383 ND2 ASN A 86 -3.384 -8.777 4.373 1.00 0.00 N flip ATOM 0 H ASN A 86 -3.244 -7.313 0.919 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.742 -9.808 0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.051 -10.906 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.696 -9.898 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.553 -9.177 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.013 -8.188 4.920 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.286 -10.921 0.265 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.534 -11.360 -0.428 1.00 0.00 C ATOM 1392 C LYS A 87 -5.408 -11.112 -1.935 1.00 0.00 C ATOM 1393 O LYS A 87 -6.352 -10.749 -2.614 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.733 -10.595 0.142 1.00 0.00 C ATOM 1395 CG LYS A 87 -8.021 -11.377 -0.130 1.00 0.00 C ATOM 1396 CD LYS A 87 -9.218 -10.672 0.525 1.00 0.00 C ATOM 1397 CE LYS A 87 -9.215 -10.894 2.046 1.00 0.00 C ATOM 1398 NZ LYS A 87 -10.539 -10.508 2.603 1.00 0.00 N ATOM 0 H LYS A 87 -3.804 -11.655 0.785 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.685 -12.427 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.606 -10.447 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.794 -9.606 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.183 -11.462 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.929 -12.391 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.180 -9.604 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.147 -11.051 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.004 -11.939 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.426 -10.302 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.540 -10.657 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.723 -9.505 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.282 -11.091 2.168 1.00 0.00 H new ATOM 1412 N ASN A 88 -4.232 -11.319 -2.451 1.00 0.00 N ATOM 1413 CA ASN A 88 -3.981 -11.121 -3.906 1.00 0.00 C ATOM 1414 C ASN A 88 -4.386 -9.698 -4.312 1.00 0.00 C ATOM 1415 O ASN A 88 -4.958 -9.472 -5.363 1.00 0.00 O ATOM 1416 CB ASN A 88 -4.771 -12.149 -4.725 1.00 0.00 C ATOM 1417 CG ASN A 88 -4.152 -12.266 -6.123 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -3.108 -12.871 -6.292 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -4.747 -11.702 -7.135 1.00 0.00 N ATOM 0 H ASN A 88 -3.418 -11.623 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.919 -11.260 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.756 -13.118 -4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.815 -11.846 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.339 -11.767 -8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.621 -11.195 -6.995 1.00 0.00 H new ATOM 1426 N SER A 89 -4.084 -8.735 -3.484 1.00 0.00 N ATOM 1427 CA SER A 89 -4.445 -7.326 -3.809 1.00 0.00 C ATOM 1428 C SER A 89 -3.888 -6.949 -5.183 1.00 0.00 C ATOM 1429 O SER A 89 -2.787 -7.315 -5.553 1.00 0.00 O ATOM 1430 CB SER A 89 -3.860 -6.401 -2.743 1.00 0.00 C ATOM 1431 OG SER A 89 -4.666 -6.475 -1.574 1.00 0.00 O ATOM 0 H SER A 89 -3.602 -8.864 -2.595 1.00 0.00 H new ATOM 0 HA SER A 89 -5.530 -7.223 -3.828 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.835 -6.692 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.825 -5.376 -3.112 1.00 0.00 H new ATOM 0 HG SER A 89 -5.454 -5.902 -1.683 1.00 0.00 H new ATOM 1437 N SER A 90 -4.657 -6.224 -5.947 1.00 0.00 N ATOM 1438 CA SER A 90 -4.204 -5.827 -7.310 1.00 0.00 C ATOM 1439 C SER A 90 -3.273 -4.617 -7.233 1.00 0.00 C ATOM 1440 O SER A 90 -3.440 -3.731 -6.417 1.00 0.00 O ATOM 1441 CB SER A 90 -5.426 -5.488 -8.162 1.00 0.00 C ATOM 1442 OG SER A 90 -6.024 -6.695 -8.612 1.00 0.00 O ATOM 0 H SER A 90 -5.584 -5.888 -5.685 1.00 0.00 H new ATOM 0 HA SER A 90 -3.656 -6.654 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.142 -4.907 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.133 -4.873 -9.013 1.00 0.00 H new ATOM 0 HG SER A 90 -6.810 -6.487 -9.158 1.00 0.00 H new ATOM 1448 N ILE A 91 -2.286 -4.581 -8.089 1.00 0.00 N ATOM 1449 CA ILE A 91 -1.323 -3.440 -8.099 1.00 0.00 C ATOM 1450 C ILE A 91 -1.094 -2.986 -9.540 1.00 0.00 C ATOM 1451 O ILE A 91 -0.871 -3.792 -10.424 1.00 0.00 O ATOM 1452 CB ILE A 91 0.005 -3.889 -7.495 1.00 0.00 C ATOM 1453 CG1 ILE A 91 -0.203 -4.246 -6.023 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.019 -2.750 -7.606 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.046 -4.939 -5.485 1.00 0.00 C ATOM 0 H ILE A 91 -2.104 -5.301 -8.789 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.729 -2.615 -7.513 1.00 0.00 H new ATOM 0 HB ILE A 91 0.377 -4.762 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.409 -3.345 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.069 -4.899 -5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.969 -3.066 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.163 -2.492 -8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.648 -1.879 -7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.897 -5.193 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.232 -5.849 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.902 -4.271 -5.579 1.00 0.00 H new ATOM 1467 N GLU A 92 -1.144 -1.699 -9.783 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.923 -1.177 -11.172 1.00 0.00 C ATOM 1469 C GLU A 92 0.243 -0.192 -11.157 1.00 0.00 C ATOM 1470 O GLU A 92 0.344 0.660 -10.294 1.00 0.00 O ATOM 1471 CB GLU A 92 -2.184 -0.458 -11.659 1.00 0.00 C ATOM 1472 CG GLU A 92 -3.350 -1.446 -11.709 1.00 0.00 C ATOM 1473 CD GLU A 92 -3.059 -2.537 -12.744 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -2.214 -2.310 -13.595 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -3.689 -3.580 -12.670 1.00 0.00 O ATOM 0 H GLU A 92 -1.329 -0.984 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.699 -2.008 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.424 0.370 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.013 -0.031 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.502 -1.894 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.271 -0.923 -11.967 1.00 0.00 H new ATOM 1482 N LYS A 93 1.131 -0.307 -12.106 1.00 0.00 N ATOM 1483 CA LYS A 93 2.301 0.613 -12.153 1.00 0.00 C ATOM 1484 C LYS A 93 1.902 1.927 -12.822 1.00 0.00 C ATOM 1485 O LYS A 93 1.398 1.954 -13.929 1.00 0.00 O ATOM 1486 CB LYS A 93 3.428 -0.042 -12.947 1.00 0.00 C ATOM 1487 CG LYS A 93 4.657 0.870 -12.931 1.00 0.00 C ATOM 1488 CD LYS A 93 5.820 0.186 -13.650 1.00 0.00 C ATOM 1489 CE LYS A 93 7.044 1.101 -13.611 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.189 0.430 -14.287 1.00 0.00 N ATOM 0 H LYS A 93 1.096 -1.001 -12.853 1.00 0.00 H new ATOM 0 HA LYS A 93 2.639 0.818 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.676 -1.012 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.108 -0.222 -13.973 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.424 1.818 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.938 1.099 -11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.048 -0.767 -13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.547 -0.032 -14.682 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.820 2.047 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.304 1.334 -12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.896 0.151 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.849 -0.415 -14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.623 1.086 -14.968 1.00 0.00 H new ATOM 1504 N LEU A 94 2.126 3.021 -12.148 1.00 0.00 N ATOM 1505 CA LEU A 94 1.763 4.350 -12.716 1.00 0.00 C ATOM 1506 C LEU A 94 2.991 4.997 -13.356 1.00 0.00 C ATOM 1507 O LEU A 94 4.070 5.023 -12.795 1.00 0.00 O ATOM 1508 CB LEU A 94 1.227 5.240 -11.588 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.257 4.916 -11.329 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -1.136 5.372 -12.521 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.413 3.402 -11.112 1.00 0.00 C ATOM 0 H LEU A 94 2.549 3.051 -11.220 1.00 0.00 H new ATOM 0 HA LEU A 94 0.997 4.227 -13.482 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.808 5.081 -10.679 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.338 6.290 -11.857 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.586 5.453 -10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.180 5.133 -12.316 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.031 6.448 -12.660 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.817 4.856 -13.427 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.461 3.167 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.072 2.870 -12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.184 3.094 -10.253 1.00 0.00 H new ATOM 1523 N SER A 95 2.819 5.530 -14.530 1.00 0.00 N ATOM 1524 CA SER A 95 3.947 6.197 -15.229 1.00 0.00 C ATOM 1525 C SER A 95 4.044 7.634 -14.725 1.00 0.00 C ATOM 1526 O SER A 95 4.940 8.373 -15.087 1.00 0.00 O ATOM 1527 CB SER A 95 3.671 6.201 -16.731 1.00 0.00 C ATOM 1528 OG SER A 95 3.632 4.863 -17.207 1.00 0.00 O ATOM 0 H SER A 95 1.936 5.532 -15.040 1.00 0.00 H new ATOM 0 HA SER A 95 4.881 5.669 -15.035 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.724 6.700 -16.937 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.446 6.762 -17.253 1.00 0.00 H new ATOM 0 HG SER A 95 3.453 4.864 -18.171 1.00 0.00 H new ATOM 1534 N GLU A 96 3.120 8.043 -13.890 1.00 0.00 N ATOM 1535 CA GLU A 96 3.148 9.442 -13.356 1.00 0.00 C ATOM 1536 C GLU A 96 3.646 9.428 -11.895 1.00 0.00 C ATOM 1537 O GLU A 96 2.960 8.946 -11.021 1.00 0.00 O ATOM 1538 CB GLU A 96 1.736 10.027 -13.399 1.00 0.00 C ATOM 1539 CG GLU A 96 1.308 10.158 -14.858 1.00 0.00 C ATOM 1540 CD GLU A 96 -0.083 10.783 -14.935 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.569 11.225 -13.909 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.637 10.811 -16.021 1.00 0.00 O ATOM 0 H GLU A 96 2.347 7.468 -13.555 1.00 0.00 H new ATOM 0 HA GLU A 96 3.819 10.049 -13.964 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.043 9.383 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.715 11.001 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.024 10.774 -15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.303 9.178 -15.335 1.00 0.00 H new ATOM 1549 N PRO A 97 4.834 9.935 -11.627 1.00 0.00 N ATOM 1550 CA PRO A 97 5.403 9.952 -10.247 1.00 0.00 C ATOM 1551 C PRO A 97 4.742 11.005 -9.352 1.00 0.00 C ATOM 1552 O PRO A 97 4.161 11.969 -9.819 1.00 0.00 O ATOM 1553 CB PRO A 97 6.894 10.243 -10.467 1.00 0.00 C ATOM 1554 CG PRO A 97 6.961 10.998 -11.757 1.00 0.00 C ATOM 1555 CD PRO A 97 5.755 10.554 -12.595 1.00 0.00 C ATOM 0 HA PRO A 97 5.231 9.012 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.306 10.830 -9.646 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.471 9.320 -10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.932 12.073 -11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.894 10.787 -12.280 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.289 11.401 -13.099 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.050 9.846 -13.369 1.00 0.00 H new ATOM 1563 N ILE A 98 4.816 10.820 -8.062 1.00 0.00 N ATOM 1564 CA ILE A 98 4.187 11.791 -7.122 1.00 0.00 C ATOM 1565 C ILE A 98 5.238 12.779 -6.618 1.00 0.00 C ATOM 1566 O ILE A 98 6.277 12.404 -6.107 1.00 0.00 O ATOM 1567 CB ILE A 98 3.591 11.018 -5.947 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.813 9.806 -6.481 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.647 11.925 -5.159 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.816 10.252 -7.557 1.00 0.00 C ATOM 0 H ILE A 98 5.288 10.033 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 98 3.402 12.348 -7.633 1.00 0.00 H new ATOM 0 HB ILE A 98 4.392 10.679 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.505 9.074 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.283 9.316 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.224 11.370 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.200 12.785 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.843 12.267 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.270 9.385 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.114 10.967 -7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.355 10.722 -8.380 1.00 0.00 H new ATOM 1582 N GLU A 99 4.969 14.048 -6.766 1.00 0.00 N ATOM 1583 CA GLU A 99 5.934 15.085 -6.313 1.00 0.00 C ATOM 1584 C GLU A 99 6.090 15.023 -4.793 1.00 0.00 C ATOM 1585 O GLU A 99 5.124 15.038 -4.052 1.00 0.00 O ATOM 1586 CB GLU A 99 5.420 16.471 -6.727 1.00 0.00 C ATOM 1587 CG GLU A 99 3.997 16.676 -6.196 1.00 0.00 C ATOM 1588 CD GLU A 99 3.377 17.917 -6.848 1.00 0.00 C ATOM 1589 OE1 GLU A 99 4.111 18.851 -7.119 1.00 0.00 O ATOM 1590 OE2 GLU A 99 2.176 17.908 -7.064 1.00 0.00 O ATOM 0 H GLU A 99 4.113 14.412 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 99 6.904 14.903 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.079 17.246 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.430 16.563 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.388 15.798 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.016 16.793 -5.113 1.00 0.00 H new ATOM 1597 N VAL A 100 7.311 14.965 -4.327 1.00 0.00 N ATOM 1598 CA VAL A 100 7.574 14.915 -2.858 1.00 0.00 C ATOM 1599 C VAL A 100 8.247 16.224 -2.436 1.00 0.00 C ATOM 1600 O VAL A 100 8.435 16.497 -1.266 1.00 0.00 O ATOM 1601 CB VAL A 100 8.498 13.730 -2.557 1.00 0.00 C ATOM 1602 CG1 VAL A 100 7.781 12.426 -2.915 1.00 0.00 C ATOM 1603 CG2 VAL A 100 9.778 13.846 -3.391 1.00 0.00 C ATOM 0 H VAL A 100 8.148 14.950 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 100 6.642 14.791 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 100 8.754 13.733 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.435 11.581 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.870 12.337 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.526 12.430 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.432 13.001 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.523 13.844 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.291 14.775 -3.143 1.00 0.00 H new ATOM 1613 N GLY A 101 8.607 17.046 -3.389 1.00 0.00 N ATOM 1614 CA GLY A 101 9.267 18.347 -3.058 1.00 0.00 C ATOM 1615 C GLY A 101 10.313 18.682 -4.130 1.00 0.00 C ATOM 1616 O GLY A 101 11.505 18.666 -3.883 1.00 0.00 O ATOM 0 H GLY A 101 8.472 16.872 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.522 19.140 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.742 18.287 -2.079 1.00 0.00 H new ATOM 1620 N LEU A 102 9.873 18.990 -5.317 1.00 0.00 N ATOM 1621 CA LEU A 102 10.825 19.335 -6.412 1.00 0.00 C ATOM 1622 C LEU A 102 11.176 20.822 -6.321 1.00 0.00 C ATOM 1623 O LEU A 102 11.933 21.350 -7.115 1.00 0.00 O ATOM 1624 CB LEU A 102 10.163 19.039 -7.764 1.00 0.00 C ATOM 1625 CG LEU A 102 8.847 19.858 -7.913 1.00 0.00 C ATOM 1626 CD1 LEU A 102 9.079 21.099 -8.792 1.00 0.00 C ATOM 1627 CD2 LEU A 102 7.758 18.986 -8.559 1.00 0.00 C ATOM 0 H LEU A 102 8.888 19.018 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 102 11.735 18.742 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.848 19.288 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.947 17.974 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 102 8.528 20.175 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.148 21.659 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.839 21.732 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.414 20.787 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.840 19.565 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.091 18.659 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.570 18.115 -7.932 1.00 0.00 H new ATOM 1639 N GLU A 103 10.632 21.504 -5.350 1.00 0.00 N ATOM 1640 CA GLU A 103 10.927 22.959 -5.195 1.00 0.00 C ATOM 1641 C GLU A 103 12.437 23.183 -5.275 1.00 0.00 C ATOM 1642 O GLU A 103 12.897 24.297 -5.440 1.00 0.00 O ATOM 1643 CB GLU A 103 10.402 23.438 -3.834 1.00 0.00 C ATOM 1644 CG GLU A 103 11.118 22.682 -2.707 1.00 0.00 C ATOM 1645 CD GLU A 103 10.509 23.075 -1.359 1.00 0.00 C ATOM 1646 OE1 GLU A 103 9.401 22.645 -1.082 1.00 0.00 O ATOM 1647 OE2 GLU A 103 11.161 23.800 -0.624 1.00 0.00 O ATOM 0 H GLU A 103 9.994 21.116 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 103 10.439 23.522 -5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.566 24.510 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.327 23.272 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.025 21.607 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.183 22.915 -2.718 1.00 0.00 H new ATOM 1654 N HIS A 104 13.202 22.121 -5.176 1.00 0.00 N ATOM 1655 CA HIS A 104 14.698 22.218 -5.253 1.00 0.00 C ATOM 1656 C HIS A 104 15.202 23.528 -4.631 1.00 0.00 C ATOM 1657 O HIS A 104 15.541 23.586 -3.465 1.00 0.00 O ATOM 1658 CB HIS A 104 15.129 22.167 -6.721 1.00 0.00 C ATOM 1659 CG HIS A 104 14.884 20.789 -7.269 1.00 0.00 C ATOM 1660 ND1 HIS A 104 14.046 20.559 -8.350 1.00 0.00 N ATOM 1661 CD2 HIS A 104 15.357 19.556 -6.892 1.00 0.00 C ATOM 1662 CE1 HIS A 104 14.041 19.233 -8.583 1.00 0.00 C ATOM 1663 NE2 HIS A 104 14.823 18.575 -7.723 1.00 0.00 N ATOM 0 H HIS A 104 12.847 21.174 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 104 15.125 21.383 -4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 104 14.573 22.904 -7.300 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.185 22.423 -6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 104 16.040 19.375 -6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.473 18.759 -9.370 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.992 17.570 -7.684 1.00 0.00 H new ATOM 1671 N HIS A 105 15.258 24.573 -5.415 1.00 0.00 N ATOM 1672 CA HIS A 105 15.739 25.886 -4.894 1.00 0.00 C ATOM 1673 C HIS A 105 17.150 25.718 -4.315 1.00 0.00 C ATOM 1674 O HIS A 105 17.693 26.613 -3.696 1.00 0.00 O ATOM 1675 CB HIS A 105 14.784 26.399 -3.807 1.00 0.00 C ATOM 1676 CG HIS A 105 15.248 27.748 -3.336 1.00 0.00 C ATOM 1677 ND1 HIS A 105 15.089 28.893 -4.101 1.00 0.00 N ATOM 1678 CD2 HIS A 105 15.876 28.152 -2.184 1.00 0.00 C ATOM 1679 CE1 HIS A 105 15.611 29.921 -3.407 1.00 0.00 C ATOM 1680 NE2 HIS A 105 16.104 29.524 -2.232 1.00 0.00 N ATOM 0 H HIS A 105 14.990 24.573 -6.399 1.00 0.00 H new ATOM 0 HA HIS A 105 15.766 26.610 -5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.770 26.467 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.756 25.699 -2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 105 16.151 27.504 -1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 105 15.629 30.942 -3.758 1.00 0.00 H new ATOM 0 HE2 HIS A 105 16.552 30.102 -1.521 1.00 0.00 H new ATOM 1688 N HIS A 106 17.751 24.574 -4.517 1.00 0.00 N ATOM 1689 CA HIS A 106 19.126 24.340 -3.982 1.00 0.00 C ATOM 1690 C HIS A 106 20.176 24.805 -5.005 1.00 0.00 C ATOM 1691 O HIS A 106 21.063 24.066 -5.387 1.00 0.00 O ATOM 1692 CB HIS A 106 19.310 22.849 -3.697 1.00 0.00 C ATOM 1693 CG HIS A 106 18.497 22.466 -2.486 1.00 0.00 C ATOM 1694 ND1 HIS A 106 17.191 22.006 -2.583 1.00 0.00 N ATOM 1695 CD2 HIS A 106 18.793 22.468 -1.145 1.00 0.00 C ATOM 1696 CE1 HIS A 106 16.755 21.754 -1.335 1.00 0.00 C ATOM 1697 NE2 HIS A 106 17.692 22.019 -0.420 1.00 0.00 N ATOM 0 H HIS A 106 17.348 23.790 -5.030 1.00 0.00 H new ATOM 0 HA HIS A 106 19.255 24.908 -3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.996 22.261 -4.560 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.364 22.628 -3.526 1.00 0.00 H new ATOM 0 HD1 HIS A 106 16.658 21.882 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 106 19.737 22.772 -0.717 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.768 21.383 -1.101 1.00 0.00 H new ATOM 1705 N HIS A 107 20.080 26.037 -5.433 1.00 0.00 N ATOM 1706 CA HIS A 107 21.062 26.597 -6.416 1.00 0.00 C ATOM 1707 C HIS A 107 21.428 25.569 -7.491 1.00 0.00 C ATOM 1708 O HIS A 107 20.750 24.581 -7.692 1.00 0.00 O ATOM 1709 CB HIS A 107 22.336 27.019 -5.681 1.00 0.00 C ATOM 1710 CG HIS A 107 22.965 25.824 -5.020 1.00 0.00 C ATOM 1711 ND1 HIS A 107 22.655 25.447 -3.722 1.00 0.00 N ATOM 1712 CD2 HIS A 107 23.891 24.911 -5.462 1.00 0.00 C ATOM 1713 CE1 HIS A 107 23.383 24.354 -3.430 1.00 0.00 C ATOM 1714 NE2 HIS A 107 24.154 23.985 -4.456 1.00 0.00 N ATOM 0 H HIS A 107 19.353 26.690 -5.140 1.00 0.00 H new ATOM 0 HA HIS A 107 20.598 27.456 -6.901 1.00 0.00 H new ATOM 0 HB2 HIS A 107 23.039 27.469 -6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.101 27.777 -4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 107 24.346 24.911 -6.441 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.348 23.838 -2.482 1.00 0.00 H new ATOM 0 HE2 HIS A 107 24.797 23.194 -4.494 1.00 0.00 H new ATOM 1722 N HIS A 108 22.508 25.806 -8.194 1.00 0.00 N ATOM 1723 CA HIS A 108 22.929 24.858 -9.263 1.00 0.00 C ATOM 1724 C HIS A 108 24.448 24.911 -9.441 1.00 0.00 C ATOM 1725 O HIS A 108 25.108 25.847 -9.035 1.00 0.00 O ATOM 1726 CB HIS A 108 22.245 25.229 -10.581 1.00 0.00 C ATOM 1727 CG HIS A 108 22.579 26.647 -10.954 1.00 0.00 C ATOM 1728 ND1 HIS A 108 22.003 27.737 -10.319 1.00 0.00 N ATOM 1729 CD2 HIS A 108 23.420 27.172 -11.906 1.00 0.00 C ATOM 1730 CE1 HIS A 108 22.497 28.850 -10.891 1.00 0.00 C ATOM 1731 NE2 HIS A 108 23.366 28.563 -11.863 1.00 0.00 N ATOM 0 H HIS A 108 23.115 26.617 -8.071 1.00 0.00 H new ATOM 0 HA HIS A 108 22.638 23.848 -8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 108 22.568 24.551 -11.371 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.165 25.115 -10.484 1.00 0.00 H new ATOM 0 HD2 HIS A 108 24.030 26.594 -12.584 1.00 0.00 H new ATOM 0 HE1 HIS A 108 22.224 29.853 -10.599 1.00 0.00 H new ATOM 0 HE2 HIS A 108 23.880 29.221 -12.449 1.00 0.00 H new ATOM 1739 N HIS A 109 25.002 23.902 -10.052 1.00 0.00 N ATOM 1740 CA HIS A 109 26.476 23.864 -10.271 1.00 0.00 C ATOM 1741 C HIS A 109 26.861 24.833 -11.394 1.00 0.00 C ATOM 1742 O HIS A 109 27.229 25.956 -11.083 1.00 0.00 O ATOM 1743 CB HIS A 109 26.872 22.439 -10.661 1.00 0.00 C ATOM 1744 CG HIS A 109 28.355 22.368 -10.900 1.00 0.00 C ATOM 1745 ND1 HIS A 109 29.272 22.569 -9.884 1.00 0.00 N ATOM 1746 CD2 HIS A 109 29.092 22.120 -12.030 1.00 0.00 C ATOM 1747 CE1 HIS A 109 30.500 22.441 -10.417 1.00 0.00 C ATOM 1748 NE2 HIS A 109 30.448 22.166 -11.723 1.00 0.00 N ATOM 1749 OXT HIS A 109 26.787 24.435 -12.544 1.00 0.00 O ATOM 0 H HIS A 109 24.493 23.095 -10.412 1.00 0.00 H new ATOM 0 HA HIS A 109 26.995 24.161 -9.360 1.00 0.00 H new ATOM 0 HB2 HIS A 109 26.588 21.744 -9.871 1.00 0.00 H new ATOM 0 HB3 HIS A 109 26.335 22.136 -11.560 1.00 0.00 H new ATOM 0 HD2 HIS A 109 28.682 21.920 -13.009 1.00 0.00 H new ATOM 0 HE1 HIS A 109 31.417 22.548 -9.857 1.00 0.00 H new ATOM 0 HE2 HIS A 109 31.233 22.021 -12.358 1.00 0.00 H new TER 1757 HIS A 109